data_4MWJ # _entry.id 4MWJ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4MWJ RCSB RCSB082454 WWPDB D_1000082454 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4MWL . unspecified PDB 4MWQ . unspecified PDB 4MWR . unspecified PDB 4MWU . unspecified PDB 4MWV . unspecified PDB 4MWW . unspecified PDB 4MWX . unspecified PDB 4MWY . unspecified PDB 4MX0 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4MWJ _pdbx_database_status.recvd_initial_deposition_date 2013-09-25 _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 'Qi, J.X.' 2 'Gao, F.' 3 'Gao, G.F.' 4 # _citation.id primary _citation.title 'Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses' _citation.journal_abbrev 'Cell Res.' _citation.journal_volume 23 _citation.page_first 1347 _citation.page_last 1355 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country CN _citation.journal_id_ISSN 1001-0602 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 24165891 _citation.pdbx_database_id_DOI 10.1038/cr.2013.144 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wu, Y.' 1 primary 'Bi, Y.H.' 2 primary 'Vavricka, C.J.' 3 primary 'Sun, X.M.' 4 primary 'Zhang, Y.F.' 5 primary 'Gao, F.' 6 primary 'Zhao, M.' 7 primary 'Xiao, H.X.' 8 primary 'Qin, C.F.' 9 primary 'He, J.H.' 10 primary 'Liu, W.J.' 11 primary 'Yan, J.H.' 12 primary 'Qi, J.X.' 13 primary 'Gao, G.F.' 14 # _cell.entry_id 4MWJ _cell.length_a 180.838 _cell.length_b 180.838 _cell.length_c 180.838 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 48 _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 4MWJ _symmetry.space_group_name_H-M 'I 4 3 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 211 _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 43553.516 1 ? ? 'UNP residues 78-465' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 6 ? ? ? ? 5 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 6 water nat water 18.015 588 ? ? ? ? # _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 ;RNFNNLTKGLCTINSWHIYGKDNAVRIGESSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISW PLSSPPTVYNSRVECIGWSSTSCHDGKSRMSICISGPNNNASAVVWYNRRPVAEINTWARNILRTQESECVCHNGVCPVV FTDGSATGPADTRIYYFKEGKILKWESLTGTAKHIEECSCYGERTGITCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSP VLTDNPRPNDPNIGKCNDPYPGNNNNGVKGFSYLDGANTWLGRTISTASRSGYEMLKVPNALTDDRSKPIQGQTIVLNAD WSGYSGSFMDYWAEGDCYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWNWPDGAKIEYFL ; _entity_poly.pdbx_seq_one_letter_code_can ;RNFNNLTKGLCTINSWHIYGKDNAVRIGESSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISW PLSSPPTVYNSRVECIGWSSTSCHDGKSRMSICISGPNNNASAVVWYNRRPVAEINTWARNILRTQESECVCHNGVCPVV FTDGSATGPADTRIYYFKEGKILKWESLTGTAKHIEECSCYGERTGITCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSP VLTDNPRPNDPNIGKCNDPYPGNNNNGVKGFSYLDGANTWLGRTISTASRSGYEMLKVPNALTDDRSKPIQGQTIVLNAD WSGYSGSFMDYWAEGDCYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWNWPDGAKIEYFL ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 ASN n 1 3 PHE n 1 4 ASN n 1 5 ASN n 1 6 LEU n 1 7 THR n 1 8 LYS n 1 9 GLY n 1 10 LEU n 1 11 CYS n 1 12 THR n 1 13 ILE n 1 14 ASN n 1 15 SER n 1 16 TRP n 1 17 HIS n 1 18 ILE n 1 19 TYR n 1 20 GLY n 1 21 LYS n 1 22 ASP n 1 23 ASN n 1 24 ALA n 1 25 VAL n 1 26 ARG n 1 27 ILE n 1 28 GLY n 1 29 GLU n 1 30 SER n 1 31 SER n 1 32 ASP n 1 33 VAL n 1 34 LEU 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 ASP n 1 47 GLU n 1 48 CYS n 1 49 ARG n 1 50 PHE n 1 51 TYR n 1 52 ALA n 1 53 LEU n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 THR n 1 58 THR n 1 59 ILE n 1 60 ARG n 1 61 GLY n 1 62 LYS n 1 63 HIS n 1 64 SER n 1 65 ASN n 1 66 GLY n 1 67 THR n 1 68 ILE n 1 69 HIS n 1 70 ASP n 1 71 ARG n 1 72 SER n 1 73 GLN n 1 74 TYR n 1 75 ARG n 1 76 ALA n 1 77 LEU n 1 78 ILE n 1 79 SER n 1 80 TRP n 1 81 PRO n 1 82 LEU n 1 83 SER n 1 84 SER n 1 85 PRO n 1 86 PRO n 1 87 THR n 1 88 VAL n 1 89 TYR n 1 90 ASN n 1 91 SER n 1 92 ARG n 1 93 VAL n 1 94 GLU n 1 95 CYS n 1 96 ILE n 1 97 GLY n 1 98 TRP n 1 99 SER n 1 100 SER n 1 101 THR n 1 102 SER n 1 103 CYS n 1 104 HIS n 1 105 ASP n 1 106 GLY n 1 107 LYS n 1 108 SER n 1 109 ARG n 1 110 MET n 1 111 SER n 1 112 ILE n 1 113 CYS n 1 114 ILE n 1 115 SER n 1 116 GLY n 1 117 PRO n 1 118 ASN n 1 119 ASN n 1 120 ASN n 1 121 ALA n 1 122 SER n 1 123 ALA n 1 124 VAL n 1 125 VAL n 1 126 TRP n 1 127 TYR n 1 128 ASN n 1 129 ARG n 1 130 ARG n 1 131 PRO n 1 132 VAL n 1 133 ALA n 1 134 GLU n 1 135 ILE n 1 136 ASN n 1 137 THR n 1 138 TRP n 1 139 ALA n 1 140 ARG n 1 141 ASN n 1 142 ILE n 1 143 LEU n 1 144 ARG n 1 145 THR n 1 146 GLN n 1 147 GLU n 1 148 SER n 1 149 GLU n 1 150 CYS n 1 151 VAL n 1 152 CYS n 1 153 HIS n 1 154 ASN n 1 155 GLY n 1 156 VAL n 1 157 CYS n 1 158 PRO n 1 159 VAL n 1 160 VAL n 1 161 PHE n 1 162 THR n 1 163 ASP n 1 164 GLY n 1 165 SER n 1 166 ALA n 1 167 THR n 1 168 GLY n 1 169 PRO n 1 170 ALA n 1 171 ASP n 1 172 THR n 1 173 ARG n 1 174 ILE n 1 175 TYR n 1 176 TYR n 1 177 PHE n 1 178 LYS n 1 179 GLU n 1 180 GLY n 1 181 LYS n 1 182 ILE n 1 183 LEU n 1 184 LYS n 1 185 TRP n 1 186 GLU n 1 187 SER n 1 188 LEU n 1 189 THR n 1 190 GLY n 1 191 THR n 1 192 ALA n 1 193 LYS n 1 194 HIS n 1 195 ILE n 1 196 GLU n 1 197 GLU n 1 198 CYS n 1 199 SER n 1 200 CYS n 1 201 TYR n 1 202 GLY n 1 203 GLU n 1 204 ARG n 1 205 THR n 1 206 GLY n 1 207 ILE n 1 208 THR n 1 209 CYS n 1 210 THR n 1 211 CYS n 1 212 ARG n 1 213 ASP n 1 214 ASN n 1 215 TRP n 1 216 GLN n 1 217 GLY n 1 218 SER n 1 219 ASN n 1 220 ARG n 1 221 PRO n 1 222 VAL n 1 223 ILE n 1 224 GLN n 1 225 ILE n 1 226 ASP n 1 227 PRO n 1 228 VAL n 1 229 ALA n 1 230 MET n 1 231 THR n 1 232 HIS n 1 233 THR n 1 234 SER n 1 235 GLN n 1 236 TYR n 1 237 ILE n 1 238 CYS n 1 239 SER n 1 240 PRO n 1 241 VAL n 1 242 LEU n 1 243 THR n 1 244 ASP n 1 245 ASN n 1 246 PRO n 1 247 ARG n 1 248 PRO n 1 249 ASN n 1 250 ASP n 1 251 PRO n 1 252 ASN n 1 253 ILE n 1 254 GLY n 1 255 LYS n 1 256 CYS n 1 257 ASN n 1 258 ASP n 1 259 PRO n 1 260 TYR n 1 261 PRO n 1 262 GLY n 1 263 ASN n 1 264 ASN n 1 265 ASN n 1 266 ASN n 1 267 GLY n 1 268 VAL n 1 269 LYS n 1 270 GLY n 1 271 PHE n 1 272 SER n 1 273 TYR n 1 274 LEU n 1 275 ASP n 1 276 GLY n 1 277 ALA n 1 278 ASN n 1 279 THR n 1 280 TRP n 1 281 LEU n 1 282 GLY n 1 283 ARG n 1 284 THR n 1 285 ILE n 1 286 SER n 1 287 THR n 1 288 ALA 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 MET n 1 296 LEU n 1 297 LYS n 1 298 VAL n 1 299 PRO n 1 300 ASN n 1 301 ALA n 1 302 LEU n 1 303 THR n 1 304 ASP n 1 305 ASP n 1 306 ARG n 1 307 SER n 1 308 LYS n 1 309 PRO n 1 310 ILE n 1 311 GLN n 1 312 GLY n 1 313 GLN n 1 314 THR n 1 315 ILE n 1 316 VAL n 1 317 LEU n 1 318 ASN n 1 319 ALA n 1 320 ASP n 1 321 TRP n 1 322 SER n 1 323 GLY n 1 324 TYR n 1 325 SER n 1 326 GLY n 1 327 SER n 1 328 PHE n 1 329 MET n 1 330 ASP n 1 331 TYR n 1 332 TRP n 1 333 ALA n 1 334 GLU n 1 335 GLY n 1 336 ASP n 1 337 CYS n 1 338 TYR n 1 339 ARG n 1 340 ALA n 1 341 CYS n 1 342 PHE n 1 343 TYR n 1 344 VAL n 1 345 GLU n 1 346 LEU n 1 347 ILE n 1 348 ARG n 1 349 GLY n 1 350 ARG n 1 351 PRO n 1 352 LYS n 1 353 GLU n 1 354 ASP n 1 355 LYS n 1 356 VAL n 1 357 TRP n 1 358 TRP n 1 359 THR n 1 360 SER n 1 361 ASN n 1 362 SER n 1 363 ILE n 1 364 VAL n 1 365 SER n 1 366 MET n 1 367 CYS n 1 368 SER n 1 369 SER n 1 370 THR n 1 371 GLU n 1 372 PHE n 1 373 LEU n 1 374 GLY n 1 375 GLN n 1 376 TRP n 1 377 ASN n 1 378 TRP n 1 379 PRO n 1 380 ASP n 1 381 GLY n 1 382 ALA n 1 383 LYS n 1 384 ILE n 1 385 GLU n 1 386 TYR n 1 387 PHE n 1 388 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene NA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'A/Anhui/1-BALF_RG1/2013(H7N9)' _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 11320 _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 'fall armyworm' _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 A0A024E3Q2_9INFA _struct_ref.pdbx_db_accession A0A024E3Q2 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RNFNNLTKGLCTINSWHIYGKDNAVRIGESSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISW PLSSPPTVYNSRVECIGWSSTSCHDGKSRMSICISGPNNNASAVVWYNRRPVAEINTWARNILRTQESECVCHNGVCPVV FTDGSATGPADTRIYYFKEGKILKWESLTGTAKHIEECSCYGERTGITCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSP VLTDNPRPNDPNIGKCNDPYPGNNNNGVKGFSYLDGANTWLGRTISTASRSGYEMLKVPNALTDDRSKPIQGQTIVLNAD WSGYSGSFMDYWAEGDCYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWNWPDGAKIEYFL ; _struct_ref.pdbx_align_begin 78 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4MWJ _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 388 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession A0A024E3Q2 _struct_ref_seq.db_align_beg 78 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 465 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 83 _struct_ref_seq.pdbx_auth_seq_align_end 470 # 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 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 4MWJ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.83 _exptl_crystal.density_percent_sol 56.52 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.0 _exptl_crystal_grow.pdbx_details '0.1M MES monohydrate, 14%(w/v) Polyethylene glycol 4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2013-05-19 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9793 _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 0.9793 # _reflns.entry_id 4MWJ _reflns.observed_criterion_sigma_I 3 _reflns.observed_criterion_sigma_F 2 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.8 _reflns.number_obs 46647 _reflns.number_all 46647 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate 13.650 _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 4MWJ _refine.ls_number_reflns_obs 46646 _refine.ls_number_reflns_all 46655 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 48.331 _refine.ls_d_res_high 1.800 _refine.ls_percent_reflns_obs 99.98 _refine.ls_R_factor_obs 0.1442 _refine.ls_R_factor_all 0.1442 _refine.ls_R_factor_R_work 0.1431 _refine.ls_R_factor_R_free 0.1644 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.06 _refine.ls_number_reflns_R_free 2359 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.B_iso_mean 15.1713 _refine.aniso_B[1][1] 0.0000 _refine.aniso_B[2][2] -0.0000 _refine.aniso_B[3][3] 0.0000 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.335 _refine.solvent_model_param_bsol 36.564 _refine.pdbx_solvent_vdw_probe_radii 1.10 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.86 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.16 _refine.overall_FOM_work_R_set 0.9202 _refine.B_iso_max 73.510 _refine.B_iso_min 4.380 _refine.pdbx_overall_phase_error 13.7800 _refine.occupancy_max 1.000 _refine.occupancy_min 0.340 _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.overall_SU_B ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3055 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 134 _refine_hist.number_atoms_solvent 588 _refine_hist.number_atoms_total 3777 _refine_hist.d_res_high 1.800 _refine_hist.d_res_low 48.331 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' f_bond_d 3339 0.006 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 4561 1.134 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 508 0.079 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 577 0.005 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 1257 22.996 ? ? ? # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.pdbx_refine_id _refine_ls_shell.redundancy_reflns_obs 1.8001 1.8369 17 100.0000 2546 . 0.1694 0.1778 . 135 . 2681 . 'X-RAY DIFFRACTION' . 1.8369 1.8768 17 100.0000 2555 . 0.1546 0.1809 . 147 . 2702 . 'X-RAY DIFFRACTION' . 1.8768 1.9205 17 100.0000 2565 . 0.1431 0.1615 . 136 . 2701 . 'X-RAY DIFFRACTION' . 1.9205 1.9685 17 100.0000 2573 . 0.1391 0.1841 . 127 . 2700 . 'X-RAY DIFFRACTION' . 1.9685 2.0217 17 100.0000 2581 . 0.1314 0.1889 . 126 . 2707 . 'X-RAY DIFFRACTION' . 2.0217 2.0812 17 100.0000 2558 . 0.1332 0.1604 . 151 . 2709 . 'X-RAY DIFFRACTION' . 2.0812 2.1484 17 100.0000 2578 . 0.1358 0.1453 . 147 . 2725 . 'X-RAY DIFFRACTION' . 2.1484 2.2252 17 100.0000 2578 . 0.1337 0.1683 . 143 . 2721 . 'X-RAY DIFFRACTION' . 2.2252 2.3143 17 100.0000 2574 . 0.1349 0.1604 . 136 . 2710 . 'X-RAY DIFFRACTION' . 2.3143 2.4196 17 100.0000 2605 . 0.1401 0.1971 . 140 . 2745 . 'X-RAY DIFFRACTION' . 2.4196 2.5471 17 100.0000 2568 . 0.1410 0.1813 . 149 . 2717 . 'X-RAY DIFFRACTION' . 2.5471 2.7067 17 100.0000 2606 . 0.1443 0.1907 . 132 . 2738 . 'X-RAY DIFFRACTION' . 2.7067 2.9157 17 100.0000 2615 . 0.1401 0.1841 . 141 . 2756 . 'X-RAY DIFFRACTION' . 2.9157 3.2090 17 100.0000 2631 . 0.1427 0.1479 . 130 . 2761 . 'X-RAY DIFFRACTION' . 3.2090 3.6733 17 100.0000 2653 . 0.1408 0.1740 . 132 . 2785 . 'X-RAY DIFFRACTION' . 3.6733 4.6273 17 100.0000 2692 . 0.1262 0.1150 . 125 . 2817 . 'X-RAY DIFFRACTION' . 4.6273 48.3484 17 100.0000 2809 . 0.1803 0.1612 . 162 . 2971 . 'X-RAY DIFFRACTION' . # _struct.entry_id 4MWJ _struct.title 'Anhui N9' _struct.pdbx_descriptor Neuraminidase _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4MWJ _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text '6-BLADED BETA-PROPELLER, Hydrolase, Glycosylation' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 5 ? N N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASN A 23 ? GLU A 29 ? ASN A 105 GLU A 111 1 ? 7 HELX_P HELX_P2 2 GLY A 61 ? ASN A 65 ? GLY A 143 ASN A 147 5 ? 5 HELX_P HELX_P3 3 ASP A 275 ? ASN A 278 ? ASP A 357 ASN A 360 5 ? 4 HELX_P HELX_P4 4 LYS A 383 ? LEU A 388 ? LYS A 465 LEU A 470 5 ? 6 # _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 337 SG ? ? A CYS 93 A CYS 419 1_555 ? ? ? ? ? ? ? 2.042 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 125 A CYS 130 1_555 ? ? ? ? ? ? ? 2.043 ? disulf3 disulf ? ? A CYS 95 SG ? ? ? 1_555 A CYS 113 SG ? ? A CYS 177 A CYS 195 1_555 ? ? ? ? ? ? ? 2.040 ? disulf4 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 185 A CYS 232 1_555 ? ? ? ? ? ? ? 2.029 ? disulf5 disulf ? ? A CYS 152 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 234 A CYS 239 1_555 ? ? ? ? ? ? ? 2.041 ? disulf6 disulf ? ? A CYS 198 SG ? ? ? 1_555 A CYS 211 SG ? ? A CYS 280 A CYS 293 1_555 ? ? ? ? ? ? ? 2.060 ? disulf7 disulf ? ? A CYS 200 SG ? ? ? 1_555 A CYS 209 SG ? ? A CYS 282 A CYS 291 1_555 ? ? ? ? ? ? ? 2.053 ? disulf8 disulf ? ? A CYS 238 SG ? ? ? 1_555 A CYS 256 SG ? ? A CYS 320 A CYS 338 1_555 ? ? ? ? ? ? ? 2.033 ? disulf9 disulf ? ? A CYS 341 SG ? ? ? 1_555 A CYS 367 SG ? ? A CYS 423 A CYS 449 1_555 ? ? ? ? ? ? ? 2.046 ? covale1 covale ? ? G MAN . O2 ? ? ? 1_555 H MAN . C1 ? ? A MAN 506 A MAN 507 1_555 ? ? ? ? ? ? ? 1.433 ? covale2 covale ? ? F BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? A BMA 505 A MAN 506 1_555 ? ? ? ? ? ? ? 1.437 ? covale3 covale ? ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? A NAG 504 A BMA 505 1_555 ? ? ? ? ? ? ? 1.437 ? covale4 covale ? ? F BMA . O6 ? ? ? 1_555 J MAN . C1 ? ? A BMA 505 A MAN 509 1_555 ? ? ? ? ? ? ? 1.438 ? covale5 covale ? ? H MAN . O2 ? ? ? 1_555 I MAN . C1 ? ? A MAN 507 A MAN 508 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 503 A NAG 504 1_555 ? ? ? ? ? ? ? 1.442 ? covale7 covale ? ? A ASN 5 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 87 A NAG 501 1_555 ? ? ? ? ? ? ? 1.442 ? covale8 covale ? ? J MAN . O3 ? ? ? 1_555 L MAN . C1 ? ? A MAN 509 A MAN 511 1_555 ? ? ? ? ? ? ? 1.442 ? covale9 covale ? ? J MAN . O6 ? ? ? 1_555 K MAN . C1 ? ? A MAN 509 A MAN 510 1_555 ? ? ? ? ? ? ? 1.443 ? covale10 covale ? ? A ASN 65 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 147 A NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? covale11 covale ? ? A ASN 120 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 202 A NAG 503 1_555 ? ? ? ? ? ? ? 1.449 ? metalc1 metalc ? ? A ASP 244 OD2 ? ? ? 1_555 M CA . CA ? ? A ASP 326 A CA 512 1_555 ? ? ? ? ? ? ? 2.406 ? metalc2 metalc ? ? M CA . CA ? ? ? 1_555 N HOH . O ? ? A CA 512 A HOH 633 1_555 ? ? ? ? ? ? ? 2.489 ? metalc3 metalc ? ? A ASP 213 O ? ? ? 1_555 M CA . CA ? ? A ASP 295 A CA 512 1_555 ? ? ? ? ? ? ? 2.602 ? metalc4 metalc ? ? M CA . CA ? ? ? 1_555 N HOH . O ? ? A CA 512 A HOH 635 1_555 ? ? ? ? ? ? ? 2.636 ? metalc5 metalc ? ? A GLY 217 O ? ? ? 1_555 M CA . CA ? ? A GLY 299 A CA 512 1_555 ? ? ? ? ? ? ? 2.651 ? metalc6 metalc ? ? A ASN 266 O ? ? ? 1_555 M CA . CA ? ? A ASN 348 A CA 512 1_555 ? ? ? ? ? ? ? 2.654 ? # 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 ASN 245 A . ? ASN 327 A PRO 246 A ? PRO 328 A 1 -4.24 2 ARG 350 A . ? ARG 432 A PRO 351 A ? PRO 433 A 1 4.36 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 3 ? F ? 4 ? G ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? 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 F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLY A 9 ? LEU A 10 ? GLY A 91 LEU A 92 A 2 CYS A 337 ? TYR A 338 ? CYS A 419 TYR A 420 B 1 SER A 15 ? LYS A 21 ? SER A 97 LYS A 103 B 2 THR A 359 ? SER A 369 ? THR A 441 SER A 451 B 3 ALA A 340 ? GLY A 349 ? ALA A 422 GLY A 431 B 4 SER A 325 ? MET A 329 ? SER A 407 MET A 411 C 1 LEU A 34 ? ASP A 44 ? LEU A 116 ASP A 126 C 2 GLU A 47 ? THR A 58 ? GLU A 129 THR A 140 C 3 ALA A 76 ? PRO A 81 ? ALA A 158 PRO A 163 C 4 ARG A 92 ? ILE A 96 ? ARG A 174 ILE A 178 D 1 SER A 99 ? HIS A 104 ? SER A 181 HIS A 186 D 2 ARG A 109 ? SER A 115 ? ARG A 191 SER A 197 D 3 SER A 122 ? TYR A 127 ? SER A 204 TYR A 209 D 4 ARG A 130 ? ASN A 136 ? ARG A 212 ASN A 218 E 1 CYS A 157 ? GLY A 164 ? CYS A 239 GLY A 246 E 2 ALA A 170 ? LYS A 178 ? ALA A 252 LYS A 260 E 3 LYS A 181 ? SER A 187 ? LYS A 263 SER A 269 F 1 GLU A 196 ? GLU A 203 ? GLU A 278 GLU A 285 F 2 GLY A 206 ? ARG A 212 ? GLY A 288 ARG A 294 F 3 PRO A 221 ? ASP A 226 ? PRO A 303 ASP A 308 F 4 THR A 231 ? TYR A 236 ? THR A 313 TYR A 318 G 1 SER A 272 ? TYR A 273 ? SER A 354 TYR A 355 G 2 TRP A 280 ? ARG A 283 ? TRP A 362 ARG A 365 G 3 SER A 291 ? LYS A 297 ? SER A 373 LYS A 379 G 4 GLN A 311 ? TRP A 321 ? GLN A 393 TRP A 403 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLY A 9 ? N GLY A 91 O TYR A 338 ? O TYR A 420 B 1 2 N HIS A 17 ? N HIS A 99 O CYS A 367 ? O CYS A 449 B 2 3 O VAL A 364 ? O VAL A 446 N VAL A 344 ? N VAL A 426 B 3 4 O TYR A 343 ? O TYR A 425 N GLY A 326 ? N GLY A 408 C 1 2 N ASP A 44 ? N ASP A 126 O GLU A 47 ? O GLU A 129 C 2 3 N ALA A 52 ? N ALA A 134 O ILE A 78 ? O ILE A 160 C 3 4 N SER A 79 ? N SER A 161 O ARG A 92 ? O ARG A 174 D 1 2 N CYS A 103 ? N CYS A 185 O MET A 110 ? O MET A 192 D 2 3 N SER A 111 ? N SER A 193 O TRP A 126 ? O TRP A 208 D 3 4 N VAL A 125 ? N VAL A 207 O ALA A 133 ? O ALA A 215 E 1 2 N PHE A 161 ? N PHE A 243 O ARG A 173 ? O ARG A 255 E 2 3 N TYR A 176 ? N TYR A 258 O LEU A 183 ? O LEU A 265 F 1 2 N SER A 199 ? N SER A 281 O THR A 210 ? O THR A 292 F 2 3 N ILE A 207 ? N ILE A 289 O ILE A 225 ? O ILE A 307 F 3 4 N VAL A 222 ? N VAL A 304 O GLN A 235 ? O GLN A 317 G 1 2 N TYR A 273 ? N TYR A 355 O TRP A 280 ? O TRP A 362 G 2 3 N LEU A 281 ? N LEU A 363 O LEU A 296 ? O LEU A 378 G 3 4 N LYS A 297 ? N LYS A 379 O GLN A 311 ? O GLN A 393 # 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 512' AC2 Software ? ? ? ? 6 'BINDING SITE FOR MONO-SACCHARIDE NAG A 501 BOUND TO ASN A 87' AC3 Software ? ? ? ? 5 'BINDING SITE FOR MONO-SACCHARIDE NAG A 502 BOUND TO ASN A 147' AC4 Software ? ? ? ? 47 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 202 RESIDUES 503 TO 511' # 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 213 ? ASP A 295 . ? 1_555 ? 2 AC1 6 GLY A 217 ? GLY A 299 . ? 1_555 ? 3 AC1 6 ASP A 244 ? ASP A 326 . ? 1_555 ? 4 AC1 6 ASN A 266 ? ASN A 348 . ? 1_555 ? 5 AC1 6 HOH N . ? HOH A 633 . ? 1_555 ? 6 AC1 6 HOH N . ? HOH A 635 . ? 1_555 ? 7 AC2 6 ASN A 2 ? ASN A 84 . ? 1_555 ? 8 AC2 6 PHE A 3 ? PHE A 85 . ? 1_555 ? 9 AC2 6 ASN A 5 ? ASN A 87 . ? 1_555 ? 10 AC2 6 ASN A 154 ? ASN A 236 . ? 1_555 ? 11 AC2 6 HOH N . ? HOH A 983 . ? 1_555 ? 12 AC2 6 HOH N . ? HOH A 1187 . ? 1_555 ? 13 AC3 5 ASN A 65 ? ASN A 147 . ? 1_555 ? 14 AC3 5 TRP A 357 ? TRP A 439 . ? 1_555 ? 15 AC3 5 HOH N . ? HOH A 1017 . ? 1_555 ? 16 AC3 5 HOH N . ? HOH A 1034 . ? 1_555 ? 17 AC3 5 HOH N . ? HOH A 1115 . ? 1_555 ? 18 AC4 47 ASN A 120 ? ASN A 202 . ? 1_555 ? 19 AC4 47 ARG A 247 ? ARG A 329 . ? 21_555 ? 20 AC4 47 ASN A 249 ? ASN A 331 . ? 21_555 ? 21 AC4 47 ASP A 250 ? ASP A 332 . ? 21_555 ? 22 AC4 47 ARG A 283 ? ARG A 365 . ? 21_555 ? 23 AC4 47 ILE A 285 ? ILE A 367 . ? 21_555 ? 24 AC4 47 THR A 287 ? THR A 369 . ? 21_555 ? 25 AC4 47 GLU A 294 ? GLU A 376 . ? 21_555 ? 26 AC4 47 LEU A 296 ? LEU A 378 . ? 21_555 ? 27 AC4 47 PRO A 309 ? PRO A 391 . ? 21_555 ? 28 AC4 47 ILE A 310 ? ILE A 392 . ? 21_555 ? 29 AC4 47 GLN A 311 ? GLN A 393 . ? 21_555 ? 30 AC4 47 GLY A 312 ? GLY A 394 . ? 21_555 ? 31 AC4 47 LEU A 373 ? LEU A 455 . ? 21_555 ? 32 AC4 47 GLY A 374 ? GLY A 456 . ? 21_555 ? 33 AC4 47 GLN A 375 ? GLN A 457 . ? 21_555 ? 34 AC4 47 HOH N . ? HOH A 621 . ? 21_555 ? 35 AC4 47 HOH N . ? HOH A 631 . ? 21_555 ? 36 AC4 47 HOH N . ? HOH A 649 . ? 21_555 ? 37 AC4 47 HOH N . ? HOH A 657 . ? 1_555 ? 38 AC4 47 HOH N . ? HOH A 808 . ? 1_555 ? 39 AC4 47 HOH N . ? HOH A 825 . ? 21_555 ? 40 AC4 47 HOH N . ? HOH A 841 . ? 1_555 ? 41 AC4 47 HOH N . ? HOH A 852 . ? 1_555 ? 42 AC4 47 HOH N . ? HOH A 879 . ? 1_555 ? 43 AC4 47 HOH N . ? HOH A 880 . ? 1_555 ? 44 AC4 47 HOH N . ? HOH A 890 . ? 1_555 ? 45 AC4 47 HOH N . ? HOH A 900 . ? 1_555 ? 46 AC4 47 HOH N . ? HOH A 902 . ? 1_555 ? 47 AC4 47 HOH N . ? HOH A 923 . ? 1_555 ? 48 AC4 47 HOH N . ? HOH A 927 . ? 1_555 ? 49 AC4 47 HOH N . ? HOH A 928 . ? 1_555 ? 50 AC4 47 HOH N . ? HOH A 930 . ? 1_555 ? 51 AC4 47 HOH N . ? HOH A 935 . ? 1_555 ? 52 AC4 47 HOH N . ? HOH A 941 . ? 1_555 ? 53 AC4 47 HOH N . ? HOH A 950 . ? 1_555 ? 54 AC4 47 HOH N . ? HOH A 987 . ? 1_555 ? 55 AC4 47 HOH N . ? HOH A 996 . ? 1_555 ? 56 AC4 47 HOH N . ? HOH A 1020 . ? 1_555 ? 57 AC4 47 HOH N . ? HOH A 1028 . ? 21_555 ? 58 AC4 47 HOH N . ? HOH A 1073 . ? 1_555 ? 59 AC4 47 HOH N . ? HOH A 1094 . ? 1_555 ? 60 AC4 47 HOH N . ? HOH A 1103 . ? 1_555 ? 61 AC4 47 HOH N . ? HOH A 1107 . ? 1_555 ? 62 AC4 47 HOH N . ? HOH A 1150 . ? 1_555 ? 63 AC4 47 HOH N . ? HOH A 1154 . ? 1_555 ? 64 AC4 47 HOH N . ? HOH A 1177 . ? 1_555 ? # _database_PDB_matrix.entry_id 4MWJ _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 4MWJ _atom_sites.fract_transf_matrix[1][1] 0.005530 _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] 0.005530 _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] 0.005530 _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 . ARG A 1 1 ? 7.200 -30.879 -11.378 1.00 36.32 ? 83 ARG A N 1 ATOM 2 C CA . ARG A 1 1 ? 8.605 -30.690 -11.037 1.00 35.76 ? 83 ARG A CA 1 ATOM 3 C C . ARG A 1 1 ? 9.432 -30.357 -12.273 1.00 25.24 ? 83 ARG A C 1 ATOM 4 O O . ARG A 1 1 ? 8.902 -29.880 -13.276 1.00 31.77 ? 83 ARG A O 1 ATOM 5 C CB . ARG A 1 1 ? 9.162 -31.940 -10.353 1.00 47.90 ? 83 ARG A CB 1 ATOM 6 C CG . ARG A 1 1 ? 8.197 -33.113 -10.322 1.00 58.95 ? 83 ARG A CG 1 ATOM 7 C CD . ARG A 1 1 ? 8.744 -34.256 -9.484 1.00 62.87 ? 83 ARG A CD 1 ATOM 8 N NE . ARG A 1 1 ? 8.328 -35.558 -9.998 1.00 67.06 ? 83 ARG A NE 1 ATOM 9 C CZ . ARG A 1 1 ? 8.275 -36.667 -9.267 1.00 72.53 ? 83 ARG A CZ 1 ATOM 10 N NH1 . ARG A 1 1 ? 8.613 -36.636 -7.986 1.00 59.33 ? 83 ARG A NH1 1 ATOM 11 N NH2 . ARG A 1 1 ? 7.884 -37.808 -9.818 1.00 73.51 ? 83 ARG A NH2 1 ATOM 12 N N . ASN A 1 2 ? 10.734 -30.611 -12.194 1.00 24.73 ? 84 ASN A N 1 ATOM 13 C CA . ASN A 1 2 ? 11.644 -30.332 -13.315 1.00 20.01 ? 84 ASN A CA 1 ATOM 14 C C . ASN A 1 2 ? 12.320 -31.565 -13.914 1.00 16.58 ? 84 ASN A C 1 ATOM 15 O O . ASN A 1 2 ? 12.578 -32.541 -13.203 1.00 17.18 ? 84 ASN A O 1 ATOM 16 C CB . ASN A 1 2 ? 12.720 -29.320 -12.908 1.00 26.55 ? 84 ASN A CB 1 ATOM 17 C CG . ASN A 1 2 ? 12.187 -27.902 -12.828 1.00 40.59 ? 84 ASN A CG 1 ATOM 18 O OD1 . ASN A 1 2 ? 11.856 -27.289 -13.846 1.00 33.00 ? 84 ASN A OD1 1 ATOM 19 N ND2 . ASN A 1 2 ? 12.111 -27.369 -11.617 1.00 36.73 ? 84 ASN A ND2 1 ATOM 20 N N . PHE A 1 3 ? 12.616 -31.512 -15.216 1.00 13.17 ? 85 PHE A N 1 ATOM 21 C CA . PHE A 1 3 ? 13.351 -32.595 -15.872 1.00 11.74 ? 85 PHE A CA 1 ATOM 22 C C . PHE A 1 3 ? 14.751 -32.676 -15.282 1.00 13.69 ? 85 PHE A C 1 ATOM 23 O O . PHE A 1 3 ? 15.383 -31.651 -15.028 1.00 14.59 ? 85 PHE A O 1 ATOM 24 C CB . PHE A 1 3 ? 13.488 -32.340 -17.377 1.00 12.36 ? 85 PHE A CB 1 ATOM 25 C CG . PHE A 1 3 ? 12.204 -32.485 -18.151 1.00 13.55 ? 85 PHE A CG 1 ATOM 26 C CD1 . PHE A 1 3 ? 11.395 -33.603 -17.992 1.00 13.29 ? 85 PHE A CD1 1 ATOM 27 C CD2 . PHE A 1 3 ? 11.820 -31.506 -19.057 1.00 14.78 ? 85 PHE A CD2 1 ATOM 28 C CE1 . PHE A 1 3 ? 10.215 -33.734 -18.716 1.00 13.80 ? 85 PHE A CE1 1 ATOM 29 C CE2 . PHE A 1 3 ? 10.648 -31.629 -19.784 1.00 15.59 ? 85 PHE A CE2 1 ATOM 30 C CZ . PHE A 1 3 ? 9.840 -32.740 -19.615 1.00 12.77 ? 85 PHE A CZ 1 ATOM 31 N N . ASN A 1 4 ? 15.247 -33.890 -15.078 1.00 13.09 ? 86 ASN A N 1 ATOM 32 C CA . ASN A 1 4 ? 16.614 -34.041 -14.612 1.00 11.92 ? 86 ASN A CA 1 ATOM 33 C C . ASN A 1 4 ? 17.637 -33.715 -15.699 1.00 11.48 ? 86 ASN A C 1 ATOM 34 O O . ASN A 1 4 ? 17.465 -34.093 -16.859 1.00 12.36 ? 86 ASN A O 1 ATOM 35 C CB . ASN A 1 4 ? 16.848 -35.456 -14.099 1.00 10.83 ? 86 ASN A CB 1 ATOM 36 C CG . ASN A 1 4 ? 18.242 -35.641 -13.572 1.00 12.96 ? 86 ASN A CG 1 ATOM 37 O OD1 . ASN A 1 4 ? 19.035 -36.424 -14.115 1.00 15.31 ? 86 ASN A OD1 1 ATOM 38 N ND2 . ASN A 1 4 ? 18.568 -34.901 -12.521 1.00 11.17 ? 86 ASN A ND2 1 ATOM 39 N N . ASN A 1 5 ? 18.704 -33.016 -15.318 1.00 11.56 ? 87 ASN A N 1 ATOM 40 C CA . ASN A 1 5 ? 19.819 -32.772 -16.226 1.00 10.83 ? 87 ASN A CA 1 ATOM 41 C C . ASN A 1 5 ? 21.053 -33.508 -15.736 1.00 11.34 ? 87 ASN A C 1 ATOM 42 O O . ASN A 1 5 ? 21.296 -33.586 -14.529 1.00 15.78 ? 87 ASN A O 1 ATOM 43 C CB . ASN A 1 5 ? 20.116 -31.274 -16.323 1.00 14.11 ? 87 ASN A CB 1 ATOM 44 C CG . ASN A 1 5 ? 18.921 -30.476 -16.803 1.00 22.30 ? 87 ASN A CG 1 ATOM 45 O OD1 . ASN A 1 5 ? 18.271 -30.848 -17.786 1.00 16.11 ? 87 ASN A OD1 1 ATOM 46 N ND2 . ASN A 1 5 ? 18.613 -29.385 -16.096 1.00 21.19 ? 87 ASN A ND2 1 ATOM 47 N N . LEU A 1 6 ? 21.829 -34.041 -16.672 1.00 12.49 ? 88 LEU A N 1 ATOM 48 C CA . LEU A 1 6 ? 23.059 -34.739 -16.341 1.00 8.71 ? 88 LEU A CA 1 ATOM 49 C C . LEU A 1 6 ? 24.177 -33.724 -16.158 1.00 12.54 ? 88 LEU A C 1 ATOM 50 O O . LEU A 1 6 ? 24.821 -33.332 -17.123 1.00 16.83 ? 88 LEU A O 1 ATOM 51 C CB . LEU A 1 6 ? 23.417 -35.707 -17.463 1.00 9.77 ? 88 LEU A CB 1 ATOM 52 C CG . LEU A 1 6 ? 22.321 -36.724 -17.776 1.00 11.63 ? 88 LEU A CG 1 ATOM 53 C CD1 . LEU A 1 6 ? 22.636 -37.444 -19.080 1.00 11.53 ? 88 LEU A CD1 1 ATOM 54 C CD2 . LEU A 1 6 ? 22.180 -37.709 -16.619 1.00 12.63 ? 88 LEU A CD2 1 ATOM 55 N N . THR A 1 7 ? 24.407 -33.307 -14.919 1.00 11.32 ? 89 THR A N 1 ATOM 56 C CA . THR A 1 7 ? 25.315 -32.194 -14.639 1.00 13.52 ? 89 THR A CA 1 ATOM 57 C C . THR A 1 7 ? 26.531 -32.597 -13.823 1.00 17.54 ? 89 THR A C 1 ATOM 58 O O . THR A 1 7 ? 27.337 -31.741 -13.454 1.00 13.87 ? 89 THR A O 1 ATOM 59 C CB . THR A 1 7 ? 24.603 -31.094 -13.847 1.00 12.57 ? 89 THR A CB 1 ATOM 60 O OG1 . THR A 1 7 ? 24.222 -31.609 -12.564 1.00 15.85 ? 89 THR A OG1 1 ATOM 61 C CG2 . THR A 1 7 ? 23.373 -30.611 -14.587 1.00 17.74 ? 89 THR A CG2 1 ATOM 62 N N . LYS A 1 8 ? 26.662 -33.889 -13.526 1.00 12.19 ? 90 LYS A N 1 ATOM 63 C CA . LYS A 1 8 ? 27.746 -34.354 -12.666 1.00 12.69 ? 90 LYS A CA 1 ATOM 64 C C . LYS A 1 8 ? 28.616 -35.394 -13.357 1.00 15.08 ? 90 LYS A C 1 ATOM 65 O O . LYS A 1 8 ? 28.191 -36.019 -14.329 1.00 13.08 ? 90 LYS A O 1 ATOM 66 C CB . LYS A 1 8 ? 27.178 -34.946 -11.371 1.00 12.74 ? 90 LYS A CB 1 ATOM 67 C CG . LYS A 1 8 ? 26.227 -34.010 -10.633 1.00 12.34 ? 90 LYS A CG 1 ATOM 68 C CD . LYS A 1 8 ? 25.580 -34.689 -9.426 1.00 14.55 ? 90 LYS A CD 1 ATOM 69 C CE . LYS A 1 8 ? 24.617 -33.733 -8.729 1.00 23.43 ? 90 LYS A CE 1 ATOM 70 N NZ . LYS A 1 8 ? 23.930 -34.362 -7.567 1.00 17.53 ? 90 LYS A NZ 1 ATOM 71 N N . GLY A 1 9 ? 29.833 -35.580 -12.852 1.00 13.12 ? 91 GLY A N 1 ATOM 72 C CA . GLY A 1 9 ? 30.676 -36.667 -13.319 1.00 14.89 ? 91 GLY A CA 1 ATOM 73 C C . GLY A 1 9 ? 30.447 -37.889 -12.451 1.00 13.90 ? 91 GLY A C 1 ATOM 74 O O . GLY A 1 9 ? 29.708 -37.821 -11.464 1.00 11.85 ? 91 GLY A O 1 ATOM 75 N N . LEU A 1 10 ? 31.069 -39.007 -12.812 1.00 13.03 ? 92 LEU A N 1 ATOM 76 C CA . LEU A 1 10 ? 30.995 -40.207 -11.993 1.00 13.31 ? 92 LEU A CA 1 ATOM 77 C C . LEU A 1 10 ? 31.819 -40.018 -10.734 1.00 14.19 ? 92 LEU A C 1 ATOM 78 O O . LEU A 1 10 ? 32.860 -39.356 -10.761 1.00 10.89 ? 92 LEU A O 1 ATOM 79 C CB . LEU A 1 10 ? 31.553 -41.408 -12.753 1.00 11.50 ? 92 LEU A CB 1 ATOM 80 C CG . LEU A 1 10 ? 30.856 -41.840 -14.037 1.00 14.67 ? 92 LEU A CG 1 ATOM 81 C CD1 . LEU A 1 10 ? 31.480 -43.123 -14.553 1.00 12.68 ? 92 LEU A CD1 1 ATOM 82 C CD2 . LEU A 1 10 ? 29.361 -42.008 -13.813 1.00 12.94 ? 92 LEU A CD2 1 ATOM 83 N N . CYS A 1 11 ? 31.355 -40.595 -9.630 1.00 9.95 ? 93 CYS A N 1 ATOM 84 C CA . CYS A 1 11 ? 32.157 -40.646 -8.418 1.00 12.29 ? 93 CYS A CA 1 ATOM 85 C C . CYS A 1 11 ? 33.365 -41.523 -8.691 1.00 11.42 ? 93 CYS A C 1 ATOM 86 O O . CYS A 1 11 ? 33.318 -42.401 -9.558 1.00 13.26 ? 93 CYS A O 1 ATOM 87 C CB . CYS A 1 11 ? 31.350 -41.234 -7.257 1.00 10.85 ? 93 CYS A CB 1 ATOM 88 S SG . CYS A 1 11 ? 29.898 -40.258 -6.815 1.00 14.72 ? 93 CYS A SG 1 ATOM 89 N N . THR A 1 12 ? 34.454 -41.284 -7.968 1.00 10.93 ? 94 THR A N 1 ATOM 90 C CA . THR A 1 12 ? 35.628 -42.143 -8.095 1.00 10.13 ? 94 THR A CA 1 ATOM 91 C C . THR A 1 12 ? 35.313 -43.533 -7.559 1.00 11.91 ? 94 THR A C 1 ATOM 92 O O . THR A 1 12 ? 34.855 -43.687 -6.422 1.00 11.74 ? 94 THR A O 1 ATOM 93 C CB . THR A 1 12 ? 36.847 -41.545 -7.371 1.00 15.74 ? 94 THR A CB 1 ATOM 94 O OG1 . THR A 1 12 ? 37.164 -40.280 -7.970 1.00 13.46 ? 94 THR A OG1 1 ATOM 95 C CG2 . THR A 1 12 ? 38.055 -42.473 -7.477 1.00 12.46 ? 94 THR A CG2 1 ATOM 96 N N . ILE A 1 13 ? 35.550 -44.541 -8.392 1.00 10.23 ? 95 ILE A N 1 ATOM 97 C CA . ILE A 1 13 ? 35.253 -45.923 -8.041 1.00 10.49 ? 95 ILE A CA 1 ATOM 98 C C . ILE A 1 13 ? 36.497 -46.618 -7.485 1.00 13.15 ? 95 ILE A C 1 ATOM 99 O O . ILE A 1 13 ? 37.414 -46.944 -8.236 1.00 11.11 ? 95 ILE A O 1 ATOM 100 C CB . ILE A 1 13 ? 34.742 -46.705 -9.276 1.00 7.88 ? 95 ILE A CB 1 ATOM 101 C CG1 . ILE A 1 13 ? 33.512 -46.019 -9.878 1.00 9.14 ? 95 ILE A CG1 1 ATOM 102 C CG2 . ILE A 1 13 ? 34.432 -48.154 -8.893 1.00 10.46 ? 95 ILE A CG2 1 ATOM 103 C CD1 . ILE A 1 13 ? 33.246 -46.367 -11.346 1.00 10.77 ? 95 ILE A CD1 1 ATOM 104 N N . ASN A 1 14 ? 36.524 -46.846 -6.174 1.00 9.30 ? 96 ASN A N 1 ATOM 105 C CA . ASN A 1 14 ? 37.648 -47.549 -5.550 1.00 10.35 ? 96 ASN A CA 1 ATOM 106 C C . ASN A 1 14 ? 37.308 -48.969 -5.100 1.00 13.18 ? 96 ASN A C 1 ATOM 107 O O . ASN A 1 14 ? 38.198 -49.764 -4.807 1.00 12.90 ? 96 ASN A O 1 ATOM 108 C CB . ASN A 1 14 ? 38.224 -46.724 -4.390 1.00 8.67 ? 96 ASN A CB 1 ATOM 109 C CG . ASN A 1 14 ? 38.999 -45.509 -4.873 1.00 12.02 ? 96 ASN A CG 1 ATOM 110 O OD1 . ASN A 1 14 ? 39.670 -45.560 -5.907 1.00 12.56 ? 96 ASN A OD1 1 ATOM 111 N ND2 . ASN A 1 14 ? 38.900 -44.409 -4.139 1.00 11.93 ? 96 ASN A ND2 1 ATOM 112 N N . SER A 1 15 ? 36.011 -49.272 -5.053 1.00 9.92 ? 97 SER A N 1 ATOM 113 C CA . SER A 1 15 ? 35.512 -50.624 -4.816 1.00 9.38 ? 97 SER A CA 1 ATOM 114 C C . SER A 1 15 ? 34.002 -50.607 -5.013 1.00 9.99 ? 97 SER A C 1 ATOM 115 O O . SER A 1 15 ? 33.434 -49.580 -5.372 1.00 8.18 ? 97 SER A O 1 ATOM 116 C CB . SER A 1 15 ? 35.853 -51.118 -3.400 1.00 11.21 ? 97 SER A CB 1 ATOM 117 O OG . SER A 1 15 ? 35.237 -50.312 -2.404 1.00 11.76 ? 97 SER A OG 1 ATOM 118 N N . TRP A 1 16 ? 33.354 -51.742 -4.773 1.00 9.30 ? 98 TRP A N 1 ATOM 119 C CA . TRP A 1 16 ? 31.909 -51.833 -4.933 1.00 8.44 ? 98 TRP A CA 1 ATOM 120 C C . TRP A 1 16 ? 31.287 -52.341 -3.639 1.00 10.04 ? 98 TRP A C 1 ATOM 121 O O . TRP A 1 16 ? 31.838 -53.242 -2.999 1.00 12.30 ? 98 TRP A O 1 ATOM 122 C CB . TRP A 1 16 ? 31.580 -52.765 -6.103 1.00 7.10 ? 98 TRP A CB 1 ATOM 123 C CG . TRP A 1 16 ? 32.181 -52.294 -7.395 1.00 8.58 ? 98 TRP A CG 1 ATOM 124 C CD1 . TRP A 1 16 ? 33.425 -52.594 -7.883 1.00 10.22 ? 98 TRP A CD1 1 ATOM 125 C CD2 . TRP A 1 16 ? 31.578 -51.409 -8.351 1.00 8.67 ? 98 TRP A CD2 1 ATOM 126 N NE1 . TRP A 1 16 ? 33.628 -51.954 -9.090 1.00 10.06 ? 98 TRP A NE1 1 ATOM 127 C CE2 . TRP A 1 16 ? 32.508 -51.225 -9.398 1.00 11.60 ? 98 TRP A CE2 1 ATOM 128 C CE3 . TRP A 1 16 ? 30.338 -50.761 -8.426 1.00 10.18 ? 98 TRP A CE3 1 ATOM 129 C CZ2 . TRP A 1 16 ? 32.232 -50.425 -10.512 1.00 10.32 ? 98 TRP A CZ2 1 ATOM 130 C CZ3 . TRP A 1 16 ? 30.069 -49.960 -9.524 1.00 8.94 ? 98 TRP A CZ3 1 ATOM 131 C CH2 . TRP A 1 16 ? 31.014 -49.800 -10.556 1.00 8.31 ? 98 TRP A CH2 1 ATOM 132 N N . HIS A 1 17 ? 30.160 -51.749 -3.239 1.00 10.17 ? 99 HIS A N 1 ATOM 133 C CA . HIS A 1 17 ? 29.452 -52.191 -2.029 1.00 8.87 ? 99 HIS A CA 1 ATOM 134 C C . HIS A 1 17 ? 28.094 -52.789 -2.377 1.00 8.17 ? 99 HIS A C 1 ATOM 135 O O . HIS A 1 17 ? 27.502 -52.433 -3.394 1.00 7.21 ? 99 HIS A O 1 ATOM 136 C CB . HIS A 1 17 ? 29.268 -51.031 -1.037 1.00 7.26 ? 99 HIS A CB 1 ATOM 137 C CG . HIS A 1 17 ? 28.298 -49.975 -1.492 1.00 8.56 ? 99 HIS A CG 1 ATOM 138 N ND1 . HIS A 1 17 ? 26.930 -50.117 -1.372 1.00 9.30 ? 99 HIS A ND1 1 ATOM 139 C CD2 . HIS A 1 17 ? 28.500 -48.756 -2.051 1.00 9.97 ? 99 HIS A CD2 1 ATOM 140 C CE1 . HIS A 1 17 ? 26.333 -49.036 -1.843 1.00 10.51 ? 99 HIS A CE1 1 ATOM 141 N NE2 . HIS A 1 17 ? 27.261 -48.194 -2.261 1.00 9.77 ? 99 HIS A NE2 1 ATOM 142 N N . ILE A 1 18 ? 27.597 -53.687 -1.530 1.00 8.77 ? 100 ILE A N 1 ATOM 143 C CA . ILE A 1 18 ? 26.275 -54.271 -1.745 1.00 10.19 ? 100 ILE A CA 1 ATOM 144 C C . ILE A 1 18 ? 25.178 -53.194 -1.720 1.00 9.96 ? 100 ILE A C 1 ATOM 145 O O . ILE A 1 18 ? 25.161 -52.308 -0.851 1.00 11.08 ? 100 ILE A O 1 ATOM 146 C CB . ILE A 1 18 ? 25.982 -55.422 -0.739 1.00 8.76 ? 100 ILE A CB 1 ATOM 147 C CG1 . ILE A 1 18 ? 24.720 -56.196 -1.139 1.00 9.73 ? 100 ILE A CG1 1 ATOM 148 C CG2 . ILE A 1 18 ? 25.885 -54.905 0.683 1.00 8.26 ? 100 ILE A CG2 1 ATOM 149 C CD1 . ILE A 1 18 ? 24.836 -56.890 -2.498 1.00 10.72 ? 100 ILE A CD1 1 ATOM 150 N N . TYR A 1 19 ? 24.283 -53.250 -2.702 1.00 7.20 ? 101 TYR A N 1 ATOM 151 C CA . TYR A 1 19 ? 23.201 -52.271 -2.819 1.00 8.08 ? 101 TYR A CA 1 ATOM 152 C C . TYR A 1 19 ? 21.856 -52.956 -2.609 1.00 9.34 ? 101 TYR A C 1 ATOM 153 O O . TYR A 1 19 ? 21.044 -52.517 -1.788 1.00 9.81 ? 101 TYR A O 1 ATOM 154 C CB . TYR A 1 19 ? 23.256 -51.596 -4.194 1.00 8.88 ? 101 TYR A CB 1 ATOM 155 C CG . TYR A 1 19 ? 22.137 -50.612 -4.476 1.00 8.37 ? 101 TYR A CG 1 ATOM 156 C CD1 . TYR A 1 19 ? 22.096 -49.371 -3.843 1.00 10.29 ? 101 TYR A CD1 1 ATOM 157 C CD2 . TYR A 1 19 ? 21.143 -50.913 -5.397 1.00 10.65 ? 101 TYR A CD2 1 ATOM 158 C CE1 . TYR A 1 19 ? 21.082 -48.460 -4.110 1.00 11.58 ? 101 TYR A CE1 1 ATOM 159 C CE2 . TYR A 1 19 ? 20.120 -50.010 -5.675 1.00 12.07 ? 101 TYR A CE2 1 ATOM 160 C CZ . TYR A 1 19 ? 20.097 -48.787 -5.029 1.00 14.96 ? 101 TYR A CZ 1 ATOM 161 O OH . TYR A 1 19 ? 19.084 -47.889 -5.305 1.00 11.63 ? 101 TYR A OH 1 ATOM 162 N N . GLY A 1 20 ? 21.626 -54.040 -3.347 1.00 7.74 ? 102 GLY A N 1 ATOM 163 C CA . GLY A 1 20 ? 20.385 -54.780 -3.206 1.00 7.62 ? 102 GLY A CA 1 ATOM 164 C C . GLY A 1 20 ? 20.509 -56.234 -3.606 1.00 11.64 ? 102 GLY A C 1 ATOM 165 O O . GLY A 1 20 ? 21.371 -56.600 -4.401 1.00 11.40 ? 102 GLY A O 1 ATOM 166 N N . LYS A 1 21 ? 19.647 -57.071 -3.044 1.00 7.35 ? 103 LYS A N 1 ATOM 167 C CA . LYS A 1 21 ? 19.634 -58.489 -3.376 1.00 6.88 ? 103 LYS A CA 1 ATOM 168 C C . LYS A 1 21 ? 18.271 -59.000 -2.956 1.00 10.03 ? 103 LYS A C 1 ATOM 169 O O . LYS A 1 21 ? 17.852 -58.760 -1.819 1.00 7.57 ? 103 LYS A O 1 ATOM 170 C CB . LYS A 1 21 ? 20.733 -59.226 -2.602 1.00 9.97 ? 103 LYS A CB 1 ATOM 171 C CG . LYS A 1 21 ? 20.928 -60.670 -3.051 1.00 8.41 ? 103 LYS A CG 1 ATOM 172 C CD . LYS A 1 21 ? 21.906 -61.426 -2.158 1.00 10.25 ? 103 LYS A CD 1 ATOM 173 C CE . LYS A 1 21 ? 22.384 -62.723 -2.822 1.00 8.63 ? 103 LYS A CE 1 ATOM 174 N NZ . LYS A 1 21 ? 21.275 -63.686 -3.104 1.00 7.34 ? 103 LYS A NZ 1 ATOM 175 N N . ASP A 1 22 ? 17.569 -59.695 -3.849 1.00 8.30 ? 104 ASP A N 1 ATOM 176 C CA . ASP A 1 22 ? 16.211 -60.122 -3.496 1.00 6.79 ? 104 ASP A CA 1 ATOM 177 C C . ASP A 1 22 ? 16.026 -61.579 -3.074 1.00 7.57 ? 104 ASP A C 1 ATOM 178 O O . ASP A 1 22 ? 14.960 -61.929 -2.567 1.00 9.59 ? 104 ASP A O 1 ATOM 179 C CB . ASP A 1 22 ? 15.186 -59.736 -4.572 1.00 7.43 ? 104 ASP A CB 1 ATOM 180 C CG . ASP A 1 22 ? 15.450 -60.392 -5.909 1.00 10.84 ? 104 ASP A CG 1 ATOM 181 O OD1 . ASP A 1 22 ? 16.365 -61.243 -6.008 1.00 10.16 ? 104 ASP A OD1 1 ATOM 182 O OD2 . ASP A 1 22 ? 14.714 -60.065 -6.872 1.00 10.30 ? 104 ASP A OD2 1 ATOM 183 N N . ASN A 1 23 ? 17.043 -62.417 -3.272 1.00 7.20 ? 105 ASN A N 1 ATOM 184 C CA . ASN A 1 23 ? 16.930 -63.834 -2.920 1.00 6.66 ? 105 ASN A CA 1 ATOM 185 C C . ASN A 1 23 ? 15.646 -64.486 -3.448 1.00 10.23 ? 105 ASN A C 1 ATOM 186 O O . ASN A 1 23 ? 15.027 -65.302 -2.758 1.00 7.87 ? 105 ASN A O 1 ATOM 187 C CB . ASN A 1 23 ? 17.019 -64.001 -1.399 1.00 7.55 ? 105 ASN A CB 1 ATOM 188 C CG . ASN A 1 23 ? 18.313 -63.445 -0.835 1.00 9.77 ? 105 ASN A CG 1 ATOM 189 O OD1 . ASN A 1 23 ? 19.395 -63.962 -1.120 1.00 10.43 ? 105 ASN A OD1 1 ATOM 190 N ND2 . ASN A 1 23 ? 18.212 -62.369 -0.054 1.00 9.73 ? 105 ASN A ND2 1 ATOM 191 N N . ALA A 1 24 ? 15.252 -64.122 -4.670 1.00 6.05 ? 106 ALA A N 1 ATOM 192 C CA . ALA A 1 24 ? 13.919 -64.456 -5.190 1.00 7.89 ? 106 ALA A CA 1 ATOM 193 C C . ALA A 1 24 ? 13.655 -65.955 -5.318 1.00 9.40 ? 106 ALA A C 1 ATOM 194 O O . ALA A 1 24 ? 12.533 -66.414 -5.084 1.00 9.29 ? 106 ALA A O 1 ATOM 195 C CB . ALA A 1 24 ? 13.683 -63.770 -6.541 1.00 8.23 ? 106 ALA A CB 1 ATOM 196 N N . VAL A 1 25 ? 14.672 -66.710 -5.720 1.00 6.96 ? 107 VAL A N 1 ATOM 197 C CA . VAL A 1 25 ? 14.490 -68.140 -5.952 1.00 7.20 ? 107 VAL A CA 1 ATOM 198 C C . VAL A 1 25 ? 14.401 -68.891 -4.613 1.00 10.49 ? 107 VAL A C 1 ATOM 199 O O . VAL A 1 25 ? 13.553 -69.782 -4.447 1.00 9.35 ? 107 VAL A O 1 ATOM 200 C CB . VAL A 1 25 ? 15.602 -68.725 -6.863 1.00 7.23 ? 107 VAL A CB 1 ATOM 201 C CG1 . VAL A 1 25 ? 15.343 -70.209 -7.140 1.00 7.21 ? 107 VAL A CG1 1 ATOM 202 C CG2 . VAL A 1 25 ? 15.668 -67.949 -8.168 1.00 9.43 ? 107 VAL A CG2 1 ATOM 203 N N . ARG A 1 26 ? 15.247 -68.517 -3.652 1.00 7.70 ? 108 ARG A N 1 ATOM 204 C CA . ARG A 1 26 ? 15.143 -69.062 -2.290 1.00 6.06 ? 108 ARG A CA 1 ATOM 205 C C . ARG A 1 26 ? 13.734 -68.853 -1.742 1.00 7.90 ? 108 ARG A C 1 ATOM 206 O O . ARG A 1 26 ? 13.097 -69.776 -1.234 1.00 7.69 ? 108 ARG A O 1 ATOM 207 C CB . ARG A 1 26 ? 16.128 -68.359 -1.345 1.00 7.39 ? 108 ARG A CB 1 ATOM 208 C CG . ARG A 1 26 ? 17.593 -68.736 -1.534 1.00 6.83 ? 108 ARG A CG 1 ATOM 209 C CD . ARG A 1 26 ? 18.510 -67.875 -0.652 1.00 6.97 ? 108 ARG A CD 1 ATOM 210 N NE . ARG A 1 26 ? 18.150 -67.917 0.771 1.00 7.62 ? 108 ARG A NE 1 ATOM 211 C CZ . ARG A 1 26 ? 18.600 -68.823 1.639 1.00 9.99 ? 108 ARG A CZ 1 ATOM 212 N NH1 . ARG A 1 26 ? 19.423 -69.788 1.238 1.00 10.88 ? 108 ARG A NH1 1 ATOM 213 N NH2 . ARG A 1 26 ? 18.230 -68.767 2.915 1.00 9.24 ? 108 ARG A NH2 1 ATOM 214 N N . ILE A 1 27 ? 13.252 -67.623 -1.840 1.00 7.02 ? 109 ILE A N 1 ATOM 215 C CA . ILE A 1 27 ? 11.950 -67.277 -1.276 1.00 7.52 ? 109 ILE A CA 1 ATOM 216 C C . ILE A 1 27 ? 10.817 -67.934 -2.076 1.00 9.19 ? 109 ILE A C 1 ATOM 217 O O . ILE A 1 27 ? 9.855 -68.466 -1.497 1.00 9.49 ? 109 ILE A O 1 ATOM 218 C CB . ILE A 1 27 ? 11.799 -65.744 -1.171 1.00 6.47 ? 109 ILE A CB 1 ATOM 219 C CG1 . ILE A 1 27 ? 12.753 -65.210 -0.094 1.00 9.14 ? 109 ILE A CG1 1 ATOM 220 C CG2 . ILE A 1 27 ? 10.381 -65.352 -0.816 1.00 10.46 ? 109 ILE A CG2 1 ATOM 221 C CD1 . ILE A 1 27 ? 12.926 -63.680 -0.113 1.00 6.93 ? 109 ILE A CD1 1 ATOM 222 N N . GLY A 1 28 ? 10.956 -67.931 -3.401 1.00 9.06 ? 110 GLY A N 1 ATOM 223 C CA . GLY A 1 28 ? 9.977 -68.537 -4.292 1.00 7.85 ? 110 GLY A CA 1 ATOM 224 C C . GLY A 1 28 ? 9.784 -70.035 -4.145 1.00 10.72 ? 110 GLY A C 1 ATOM 225 O O . GLY A 1 28 ? 8.809 -70.582 -4.657 1.00 10.67 ? 110 GLY A O 1 ATOM 226 N N . GLU A 1 29 ? 10.708 -70.709 -3.463 1.00 6.83 ? 111 GLU A N 1 ATOM 227 C CA . GLU A 1 29 ? 10.534 -72.132 -3.161 1.00 7.82 ? 111 GLU A CA 1 ATOM 228 C C . GLU A 1 29 ? 9.275 -72.352 -2.327 1.00 11.09 ? 111 GLU A C 1 ATOM 229 O O . GLU A 1 29 ? 8.641 -73.416 -2.396 1.00 8.34 ? 111 GLU A O 1 ATOM 230 C CB . GLU A 1 29 ? 11.768 -72.671 -2.420 1.00 8.21 ? 111 GLU A CB 1 ATOM 231 C CG . GLU A 1 29 ? 11.798 -74.196 -2.225 1.00 10.02 ? 111 GLU A CG 1 ATOM 232 C CD . GLU A 1 29 ? 10.992 -74.671 -1.021 1.00 11.18 ? 111 GLU A CD 1 ATOM 233 O OE1 . GLU A 1 29 ? 10.930 -73.940 -0.010 1.00 10.58 ? 111 GLU A OE1 1 ATOM 234 O OE2 . GLU A 1 29 ? 10.412 -75.779 -1.085 1.00 13.79 ? 111 GLU A OE2 1 ATOM 235 N N . SER A 1 30 ? 8.906 -71.331 -1.558 1.00 9.49 ? 112 SER A N 1 ATOM 236 C CA . SER A 1 30 ? 7.787 -71.431 -0.628 1.00 10.18 ? 112 SER A CA 1 ATOM 237 C C . SER A 1 30 ? 6.922 -70.171 -0.520 1.00 17.70 ? 112 SER A C 1 ATOM 238 O O . SER A 1 30 ? 6.374 -69.883 0.540 1.00 33.68 ? 112 SER A O 1 ATOM 239 C CB . SER A 1 30 ? 8.300 -71.821 0.762 1.00 15.60 ? 112 SER A CB 1 ATOM 240 O OG . SER A 1 30 ? 8.878 -70.707 1.425 1.00 35.73 ? 112 SER A OG 1 ATOM 241 N N A SER A 1 31 ? 6.784 -69.431 -1.611 0.34 9.41 ? 113 SER A N 1 ATOM 242 N N B SER A 1 31 ? 6.831 -69.409 -1.611 0.66 9.34 ? 113 SER A N 1 ATOM 243 C CA A SER A 1 31 ? 5.855 -68.308 -1.628 0.34 7.18 ? 113 SER A CA 1 ATOM 244 C CA B SER A 1 31 ? 6.044 -68.171 -1.640 0.66 6.83 ? 113 SER A CA 1 ATOM 245 C C A SER A 1 31 ? 5.570 -67.950 -3.076 0.34 9.49 ? 113 SER A C 1 ATOM 246 C C B SER A 1 31 ? 5.600 -67.931 -3.079 0.66 9.47 ? 113 SER A C 1 ATOM 247 O O A SER A 1 31 ? 6.182 -68.504 -3.991 0.34 10.91 ? 113 SER A O 1 ATOM 248 O O B SER A 1 31 ? 6.119 -68.573 -3.992 0.66 10.95 ? 113 SER A O 1 ATOM 249 C CB A SER A 1 31 ? 6.406 -67.106 -0.870 0.34 8.34 ? 113 SER A CB 1 ATOM 250 C CB B SER A 1 31 ? 6.863 -66.985 -1.140 0.66 8.10 ? 113 SER A CB 1 ATOM 251 O OG A SER A 1 31 ? 7.693 -66.769 -1.337 0.34 10.21 ? 113 SER A OG 1 ATOM 252 O OG B SER A 1 31 ? 7.088 -67.074 0.250 0.66 6.10 ? 113 SER A OG 1 ATOM 253 N N . ASP A 1 32 ? 4.643 -67.024 -3.278 1.00 8.70 ? 114 ASP A N 1 ATOM 254 C CA . ASP A 1 32 ? 4.114 -66.769 -4.611 1.00 6.80 ? 114 ASP A CA 1 ATOM 255 C C . ASP A 1 32 ? 4.956 -65.759 -5.376 1.00 10.16 ? 114 ASP A C 1 ATOM 256 O O . ASP A 1 32 ? 4.554 -64.619 -5.599 1.00 8.33 ? 114 ASP A O 1 ATOM 257 C CB . ASP A 1 32 ? 2.635 -66.372 -4.533 1.00 6.49 ? 114 ASP A CB 1 ATOM 258 C CG . ASP A 1 32 ? 1.763 -67.494 -3.986 1.00 10.09 ? 114 ASP A CG 1 ATOM 259 O OD1 . ASP A 1 32 ? 2.068 -68.672 -4.268 1.00 11.38 ? 114 ASP A OD1 1 ATOM 260 O OD2 . ASP A 1 32 ? 0.777 -67.208 -3.271 1.00 11.38 ? 114 ASP A OD2 1 ATOM 261 N N . VAL A 1 33 ? 6.140 -66.213 -5.770 1.00 8.10 ? 115 VAL A N 1 ATOM 262 C CA . VAL A 1 33 ? 7.110 -65.391 -6.481 1.00 6.67 ? 115 VAL A CA 1 ATOM 263 C C . VAL A 1 33 ? 7.007 -65.658 -7.980 1.00 7.89 ? 115 VAL A C 1 ATOM 264 O O . VAL A 1 33 ? 7.001 -66.808 -8.412 1.00 6.66 ? 115 VAL A O 1 ATOM 265 C CB . VAL A 1 33 ? 8.534 -65.696 -5.986 1.00 7.26 ? 115 VAL A CB 1 ATOM 266 C CG1 . VAL A 1 33 ? 9.574 -64.963 -6.828 1.00 9.11 ? 115 VAL A CG1 1 ATOM 267 C CG2 . VAL A 1 33 ? 8.673 -65.302 -4.515 1.00 7.87 ? 115 VAL A CG2 1 ATOM 268 N N . LEU A 1 34 ? 6.889 -64.599 -8.769 1.00 6.69 ? 116 LEU A N 1 ATOM 269 C CA . LEU A 1 34 ? 6.743 -64.750 -10.214 1.00 6.48 ? 116 LEU A CA 1 ATOM 270 C C . LEU A 1 34 ? 8.044 -65.235 -10.841 1.00 8.66 ? 116 LEU A C 1 ATOM 271 O O . LEU A 1 34 ? 9.132 -64.818 -10.440 1.00 8.43 ? 116 LEU A O 1 ATOM 272 C CB . LEU A 1 34 ? 6.336 -63.416 -10.848 1.00 4.67 ? 116 LEU A CB 1 ATOM 273 C CG . LEU A 1 34 ? 4.945 -62.885 -10.495 1.00 6.70 ? 116 LEU A CG 1 ATOM 274 C CD1 . LEU A 1 34 ? 4.827 -61.410 -10.857 1.00 8.47 ? 116 LEU A CD1 1 ATOM 275 C CD2 . LEU A 1 34 ? 3.869 -63.695 -11.219 1.00 7.05 ? 116 LEU A CD2 1 ATOM 276 N N . VAL A 1 35 ? 7.938 -66.133 -11.811 1.00 5.42 ? 117 VAL A N 1 ATOM 277 C CA . VAL A 1 35 ? 9.090 -66.464 -12.646 1.00 7.67 ? 117 VAL A CA 1 ATOM 278 C C . VAL A 1 35 ? 9.450 -65.228 -13.471 1.00 8.91 ? 117 VAL A C 1 ATOM 279 O O . VAL A 1 35 ? 8.570 -64.572 -14.038 1.00 8.10 ? 117 VAL A O 1 ATOM 280 C CB . VAL A 1 35 ? 8.769 -67.623 -13.603 1.00 6.92 ? 117 VAL A CB 1 ATOM 281 C CG1 . VAL A 1 35 ? 9.913 -67.845 -14.586 1.00 7.34 ? 117 VAL A CG1 1 ATOM 282 C CG2 . VAL A 1 35 ? 8.466 -68.893 -12.813 1.00 6.15 ? 117 VAL A CG2 1 ATOM 283 N N . THR A 1 36 ? 10.738 -64.898 -13.531 1.00 7.25 ? 118 THR A N 1 ATOM 284 C CA . THR A 1 36 ? 11.185 -63.749 -14.312 1.00 5.75 ? 118 THR A CA 1 ATOM 285 C C . THR A 1 36 ? 12.430 -64.104 -15.105 1.00 8.71 ? 118 THR A C 1 ATOM 286 O O . THR A 1 36 ? 12.948 -65.209 -14.995 1.00 8.11 ? 118 THR A O 1 ATOM 287 C CB . THR A 1 36 ? 11.534 -62.552 -13.410 1.00 8.03 ? 118 THR A CB 1 ATOM 288 O OG1 . THR A 1 36 ? 12.604 -62.913 -12.534 1.00 10.30 ? 118 THR A OG1 1 ATOM 289 C CG2 . THR A 1 36 ? 10.330 -62.111 -12.575 1.00 7.16 ? 118 THR A CG2 1 ATOM 290 N N . ARG A 1 37 ? 12.879 -63.162 -15.924 1.00 7.01 ? 119 ARG A N 1 ATOM 291 C CA . ARG A 1 37 ? 14.246 -63.112 -16.439 1.00 6.71 ? 119 ARG A CA 1 ATOM 292 C C . ARG A 1 37 ? 14.440 -61.700 -16.984 1.00 8.13 ? 119 ARG A C 1 ATOM 293 O O . ARG A 1 37 ? 13.501 -60.890 -16.962 1.00 7.96 ? 119 ARG A O 1 ATOM 294 C CB . ARG A 1 37 ? 14.542 -64.189 -17.501 1.00 6.72 ? 119 ARG A CB 1 ATOM 295 C CG . ARG A 1 37 ? 15.390 -65.365 -16.968 1.00 8.38 ? 119 ARG A CG 1 ATOM 296 C CD . ARG A 1 37 ? 16.384 -65.904 -18.016 1.00 8.86 ? 119 ARG A CD 1 ATOM 297 N NE . ARG A 1 37 ? 17.434 -64.921 -18.300 1.00 9.52 ? 119 ARG A NE 1 ATOM 298 C CZ . ARG A 1 37 ? 18.079 -64.808 -19.457 1.00 10.99 ? 119 ARG A CZ 1 ATOM 299 N NH1 . ARG A 1 37 ? 17.798 -65.620 -20.470 1.00 10.56 ? 119 ARG A NH1 1 ATOM 300 N NH2 . ARG A 1 37 ? 19.006 -63.869 -19.607 1.00 10.64 ? 119 ARG A NH2 1 ATOM 301 N N . GLU A 1 38 ? 15.652 -61.399 -17.446 1.00 6.70 ? 120 GLU A N 1 ATOM 302 C CA . GLU A 1 38 ? 15.996 -60.063 -17.934 1.00 7.72 ? 120 GLU A CA 1 ATOM 303 C C . GLU A 1 38 ? 15.654 -58.941 -16.943 1.00 7.77 ? 120 GLU A C 1 ATOM 304 O O . GLU A 1 38 ? 14.930 -58.008 -17.282 1.00 8.05 ? 120 GLU A O 1 ATOM 305 C CB . GLU A 1 38 ? 15.333 -59.799 -19.303 1.00 8.02 ? 120 GLU A CB 1 ATOM 306 C CG . GLU A 1 38 ? 15.754 -60.785 -20.413 1.00 9.72 ? 120 GLU A CG 1 ATOM 307 C CD . GLU A 1 38 ? 14.970 -62.093 -20.406 1.00 12.39 ? 120 GLU A CD 1 ATOM 308 O OE1 . GLU A 1 38 ? 13.807 -62.112 -19.947 1.00 9.83 ? 120 GLU A OE1 1 ATOM 309 O OE2 . GLU A 1 38 ? 15.520 -63.118 -20.865 1.00 10.07 ? 120 GLU A OE2 1 ATOM 310 N N . PRO A 1 39 ? 16.203 -59.012 -15.719 1.00 7.52 ? 121 PRO A N 1 ATOM 311 C CA . PRO A 1 39 ? 15.926 -57.993 -14.707 1.00 5.94 ? 121 PRO A CA 1 ATOM 312 C C . PRO A 1 39 ? 16.771 -56.749 -14.909 1.00 6.93 ? 121 PRO A C 1 ATOM 313 O O . PRO A 1 39 ? 17.748 -56.778 -15.671 1.00 7.48 ? 121 PRO A O 1 ATOM 314 C CB . PRO A 1 39 ? 16.398 -58.665 -13.420 1.00 7.17 ? 121 PRO A CB 1 ATOM 315 C CG . PRO A 1 39 ? 17.593 -59.464 -13.877 1.00 8.56 ? 121 PRO A CG 1 ATOM 316 C CD . PRO A 1 39 ? 17.189 -60.000 -15.238 1.00 8.78 ? 121 PRO A CD 1 ATOM 317 N N . TYR A 1 40 ? 16.381 -55.671 -14.232 1.00 7.05 ? 122 TYR A N 1 ATOM 318 C CA . TYR A 1 40 ? 17.230 -54.495 -14.070 1.00 8.80 ? 122 TYR A CA 1 ATOM 319 C C . TYR A 1 40 ? 16.783 -53.662 -12.879 1.00 8.24 ? 122 TYR A C 1 ATOM 320 O O . TYR A 1 40 ? 15.911 -54.086 -12.111 1.00 7.55 ? 122 TYR A O 1 ATOM 321 C CB . TYR A 1 40 ? 17.319 -53.657 -15.354 1.00 5.99 ? 122 TYR A CB 1 ATOM 322 C CG . TYR A 1 40 ? 16.027 -53.257 -16.049 1.00 7.79 ? 122 TYR A CG 1 ATOM 323 C CD1 . TYR A 1 40 ? 15.338 -54.154 -16.866 1.00 8.69 ? 122 TYR A CD1 1 ATOM 324 C CD2 . TYR A 1 40 ? 15.557 -51.949 -15.972 1.00 8.23 ? 122 TYR A CD2 1 ATOM 325 C CE1 . TYR A 1 40 ? 14.180 -53.767 -17.543 1.00 8.06 ? 122 TYR A CE1 1 ATOM 326 C CE2 . TYR A 1 40 ? 14.407 -51.555 -16.652 1.00 8.52 ? 122 TYR A CE2 1 ATOM 327 C CZ . TYR A 1 40 ? 13.730 -52.467 -17.435 1.00 8.78 ? 122 TYR A CZ 1 ATOM 328 O OH . TYR A 1 40 ? 12.597 -52.061 -18.112 1.00 8.74 ? 122 TYR A OH 1 ATOM 329 N N . VAL A 1 41 ? 17.405 -52.501 -12.698 1.00 6.56 ? 123 VAL A N 1 ATOM 330 C CA . VAL A 1 41 ? 17.073 -51.616 -11.589 1.00 6.52 ? 123 VAL A CA 1 ATOM 331 C C . VAL A 1 41 ? 16.939 -50.214 -12.171 1.00 6.04 ? 123 VAL A C 1 ATOM 332 O O . VAL A 1 41 ? 17.660 -49.860 -13.110 1.00 8.36 ? 123 VAL A O 1 ATOM 333 C CB . VAL A 1 41 ? 18.179 -51.628 -10.507 1.00 8.46 ? 123 VAL A CB 1 ATOM 334 C CG1 . VAL A 1 41 ? 17.725 -50.861 -9.264 1.00 7.82 ? 123 VAL A CG1 1 ATOM 335 C CG2 . VAL A 1 41 ? 18.561 -53.067 -10.135 1.00 9.48 ? 123 VAL A CG2 1 ATOM 336 N N . SER A 1 42 ? 16.003 -49.427 -11.654 1.00 7.03 ? 124 SER A N 1 ATOM 337 C CA . SER A 1 42 ? 15.846 -48.061 -12.146 1.00 9.49 ? 124 SER A CA 1 ATOM 338 C C . SER A 1 42 ? 15.296 -47.187 -11.039 1.00 11.93 ? 124 SER A C 1 ATOM 339 O O . SER A 1 42 ? 14.440 -47.631 -10.271 1.00 8.70 ? 124 SER A O 1 ATOM 340 C CB . SER A 1 42 ? 14.923 -48.025 -13.369 1.00 10.57 ? 124 SER A CB 1 ATOM 341 O OG . SER A 1 42 ? 14.972 -46.754 -13.999 1.00 9.58 ? 124 SER A OG 1 ATOM 342 N N . CYS A 1 43 ? 15.788 -45.953 -10.944 1.00 8.15 ? 125 CYS A N 1 ATOM 343 C CA . CYS A 1 43 ? 15.323 -45.052 -9.893 1.00 8.28 ? 125 CYS A CA 1 ATOM 344 C C . CYS A 1 43 ? 14.339 -44.003 -10.389 1.00 9.91 ? 125 CYS A C 1 ATOM 345 O O . CYS A 1 43 ? 14.457 -43.509 -11.506 1.00 8.41 ? 125 CYS A O 1 ATOM 346 C CB . CYS A 1 43 ? 16.506 -44.339 -9.229 1.00 9.79 ? 125 CYS A CB 1 ATOM 347 S SG . CYS A 1 43 ? 17.665 -45.468 -8.445 1.00 12.77 ? 125 CYS A SG 1 ATOM 348 N N . ASP A 1 44 ? 13.365 -43.697 -9.533 1.00 8.48 ? 126 ASP A N 1 ATOM 349 C CA . ASP A 1 44 ? 12.528 -42.504 -9.620 1.00 9.49 ? 126 ASP A CA 1 ATOM 350 C C . ASP A 1 44 ? 13.157 -41.474 -8.680 1.00 11.17 ? 126 ASP A C 1 ATOM 351 O O . ASP A 1 44 ? 14.057 -41.814 -7.917 1.00 12.27 ? 126 ASP A O 1 ATOM 352 C CB . ASP A 1 44 ? 11.126 -42.827 -9.099 1.00 10.68 ? 126 ASP A CB 1 ATOM 353 C CG . ASP A 1 44 ? 10.328 -43.708 -10.034 1.00 15.61 ? 126 ASP A CG 1 ATOM 354 O OD1 . ASP A 1 44 ? 10.889 -44.251 -11.006 1.00 12.23 ? 126 ASP A OD1 1 ATOM 355 O OD2 . ASP A 1 44 ? 9.115 -43.859 -9.777 1.00 14.44 ? 126 ASP A OD2 1 ATOM 356 N N . PRO A 1 45 ? 12.679 -40.215 -8.707 1.00 10.01 ? 127 PRO A N 1 ATOM 357 C CA . PRO A 1 45 ? 13.290 -39.233 -7.800 1.00 9.75 ? 127 PRO A CA 1 ATOM 358 C C . PRO A 1 45 ? 13.110 -39.549 -6.314 1.00 12.63 ? 127 PRO A C 1 ATOM 359 O O . PRO A 1 45 ? 13.846 -39.003 -5.489 1.00 15.17 ? 127 PRO A O 1 ATOM 360 C CB . PRO A 1 45 ? 12.547 -37.935 -8.145 1.00 11.90 ? 127 PRO A CB 1 ATOM 361 C CG . PRO A 1 45 ? 12.149 -38.109 -9.576 1.00 10.67 ? 127 PRO A CG 1 ATOM 362 C CD . PRO A 1 45 ? 11.787 -39.571 -9.688 1.00 11.78 ? 127 PRO A CD 1 ATOM 363 N N . ASP A 1 46 ? 12.151 -40.405 -5.974 1.00 10.68 ? 128 ASP A N 1 ATOM 364 C CA . ASP A 1 46 ? 11.856 -40.670 -4.572 1.00 14.91 ? 128 ASP A CA 1 ATOM 365 C C . ASP A 1 46 ? 11.944 -42.148 -4.193 1.00 14.46 ? 128 ASP A C 1 ATOM 366 O O . ASP A 1 46 ? 11.648 -42.511 -3.054 1.00 14.15 ? 128 ASP A O 1 ATOM 367 C CB . ASP A 1 46 ? 10.460 -40.145 -4.226 1.00 19.46 ? 128 ASP A CB 1 ATOM 368 C CG . ASP A 1 46 ? 9.364 -40.812 -5.047 1.00 25.08 ? 128 ASP A CG 1 ATOM 369 O OD1 . ASP A 1 46 ? 9.674 -41.406 -6.105 1.00 19.94 ? 128 ASP A OD1 1 ATOM 370 O OD2 . ASP A 1 46 ? 8.183 -40.733 -4.643 1.00 42.96 ? 128 ASP A OD2 1 ATOM 371 N N . GLU A 1 47 ? 12.339 -42.998 -5.135 1.00 11.46 ? 129 GLU A N 1 ATOM 372 C CA . GLU A 1 47 ? 12.376 -44.441 -4.869 1.00 9.92 ? 129 GLU A CA 1 ATOM 373 C C . GLU A 1 47 ? 13.178 -45.148 -5.955 1.00 11.45 ? 129 GLU A C 1 ATOM 374 O O . GLU A 1 47 ? 13.136 -44.747 -7.122 1.00 14.69 ? 129 GLU A O 1 ATOM 375 C CB . GLU A 1 47 ? 10.943 -44.998 -4.844 1.00 12.88 ? 129 GLU A CB 1 ATOM 376 C CG . GLU A 1 47 ? 10.820 -46.465 -4.453 1.00 24.76 ? 129 GLU A CG 1 ATOM 377 C CD . GLU A 1 47 ? 9.437 -47.049 -4.758 1.00 33.95 ? 129 GLU A CD 1 ATOM 378 O OE1 . GLU A 1 47 ? 8.571 -46.316 -5.294 1.00 17.82 ? 129 GLU A OE1 1 ATOM 379 O OE2 . GLU A 1 47 ? 9.222 -48.252 -4.469 1.00 24.51 ? 129 GLU A OE2 1 ATOM 380 N N . CYS A 1 48 ? 13.900 -46.202 -5.584 1.00 10.50 ? 130 CYS A N 1 ATOM 381 C CA . CYS A 1 48 ? 14.521 -47.082 -6.582 1.00 8.11 ? 130 CYS A CA 1 ATOM 382 C C . CYS A 1 48 ? 13.854 -48.456 -6.530 1.00 7.59 ? 130 CYS A C 1 ATOM 383 O O . CYS A 1 48 ? 13.513 -48.943 -5.449 1.00 8.35 ? 130 CYS A O 1 ATOM 384 C CB . CYS A 1 48 ? 16.033 -47.210 -6.342 1.00 11.36 ? 130 CYS A CB 1 ATOM 385 S SG . CYS A 1 48 ? 16.926 -45.630 -6.547 1.00 14.92 ? 130 CYS A SG 1 ATOM 386 N N . ARG A 1 49 ? 13.675 -49.079 -7.693 1.00 7.98 ? 131 ARG A N 1 ATOM 387 C CA . ARG A 1 49 ? 12.926 -50.330 -7.779 1.00 6.60 ? 131 ARG A CA 1 ATOM 388 C C . ARG A 1 49 ? 13.626 -51.371 -8.644 1.00 7.06 ? 131 ARG A C 1 ATOM 389 O O . ARG A 1 49 ? 14.437 -51.035 -9.516 1.00 7.72 ? 131 ARG A O 1 ATOM 390 C CB . ARG A 1 49 ? 11.507 -50.065 -8.313 1.00 8.76 ? 131 ARG A CB 1 ATOM 391 C CG . ARG A 1 49 ? 10.638 -49.240 -7.354 1.00 7.97 ? 131 ARG A CG 1 ATOM 392 C CD . ARG A 1 49 ? 9.365 -48.703 -8.014 1.00 11.61 ? 131 ARG A CD 1 ATOM 393 N NE . ARG A 1 49 ? 8.420 -49.758 -8.394 1.00 12.76 ? 131 ARG A NE 1 ATOM 394 C CZ . ARG A 1 49 ? 7.528 -50.302 -7.567 1.00 13.43 ? 131 ARG A CZ 1 ATOM 395 N NH1 . ARG A 1 49 ? 7.469 -49.914 -6.299 1.00 12.94 ? 131 ARG A NH1 1 ATOM 396 N NH2 . ARG A 1 49 ? 6.694 -51.244 -8.003 1.00 9.48 ? 131 ARG A NH2 1 ATOM 397 N N . PHE A 1 50 ? 13.311 -52.640 -8.396 1.00 8.62 ? 132 PHE A N 1 ATOM 398 C CA . PHE A 1 50 ? 13.748 -53.718 -9.279 1.00 8.93 ? 132 PHE A CA 1 ATOM 399 C C . PHE A 1 50 ? 12.735 -53.870 -10.414 1.00 7.22 ? 132 PHE A C 1 ATOM 400 O O . PHE A 1 50 ? 11.536 -53.636 -10.219 1.00 8.06 ? 132 PHE A O 1 ATOM 401 C CB . PHE A 1 50 ? 13.843 -55.032 -8.504 1.00 6.09 ? 132 PHE A CB 1 ATOM 402 C CG . PHE A 1 50 ? 15.092 -55.172 -7.655 1.00 7.75 ? 132 PHE A CG 1 ATOM 403 C CD1 . PHE A 1 50 ? 16.076 -54.188 -7.638 1.00 9.60 ? 132 PHE A CD1 1 ATOM 404 C CD2 . PHE A 1 50 ? 15.275 -56.310 -6.876 1.00 9.99 ? 132 PHE A CD2 1 ATOM 405 C CE1 . PHE A 1 50 ? 17.224 -54.346 -6.852 1.00 13.03 ? 132 PHE A CE1 1 ATOM 406 C CE2 . PHE A 1 50 ? 16.411 -56.474 -6.099 1.00 8.07 ? 132 PHE A CE2 1 ATOM 407 C CZ . PHE A 1 50 ? 17.389 -55.492 -6.084 1.00 10.12 ? 132 PHE A CZ 1 ATOM 408 N N . TYR A 1 51 ? 13.225 -54.249 -11.592 1.00 6.46 ? 133 TYR A N 1 ATOM 409 C CA . TYR A 1 51 ? 12.396 -54.459 -12.783 1.00 7.89 ? 133 TYR A CA 1 ATOM 410 C C . TYR A 1 51 ? 12.753 -55.811 -13.385 1.00 5.73 ? 133 TYR A C 1 ATOM 411 O O . TYR A 1 51 ? 13.866 -56.294 -13.186 1.00 9.09 ? 133 TYR A O 1 ATOM 412 C CB . TYR A 1 51 ? 12.684 -53.375 -13.829 1.00 8.47 ? 133 TYR A CB 1 ATOM 413 C CG . TYR A 1 51 ? 12.151 -52.012 -13.449 1.00 8.99 ? 133 TYR A CG 1 ATOM 414 C CD1 . TYR A 1 51 ? 12.748 -51.272 -12.433 1.00 7.16 ? 133 TYR A CD1 1 ATOM 415 C CD2 . TYR A 1 51 ? 11.051 -51.469 -14.106 1.00 9.42 ? 133 TYR A CD2 1 ATOM 416 C CE1 . TYR A 1 51 ? 12.258 -50.033 -12.075 1.00 8.65 ? 133 TYR A CE1 1 ATOM 417 C CE2 . TYR A 1 51 ? 10.557 -50.228 -13.757 1.00 9.76 ? 133 TYR A CE2 1 ATOM 418 C CZ . TYR A 1 51 ? 11.161 -49.521 -12.741 1.00 9.28 ? 133 TYR A CZ 1 ATOM 419 O OH . TYR A 1 51 ? 10.664 -48.288 -12.387 1.00 9.27 ? 133 TYR A OH 1 ATOM 420 N N . ALA A 1 52 ? 11.821 -56.412 -14.123 1.00 8.88 ? 134 ALA A N 1 ATOM 421 C CA . ALA A 1 52 ? 12.106 -57.628 -14.888 1.00 7.38 ? 134 ALA A CA 1 ATOM 422 C C . ALA A 1 52 ? 10.942 -57.995 -15.797 1.00 8.40 ? 134 ALA A C 1 ATOM 423 O O . ALA A 1 52 ? 9.855 -57.422 -15.699 1.00 7.85 ? 134 ALA A O 1 ATOM 424 C CB . ALA A 1 52 ? 12.430 -58.807 -13.951 1.00 6.50 ? 134 ALA A CB 1 ATOM 425 N N . LEU A 1 53 ? 11.177 -58.957 -16.681 1.00 6.47 ? 135 LEU A N 1 ATOM 426 C CA . LEU A 1 53 ? 10.098 -59.509 -17.482 1.00 9.66 ? 135 LEU A CA 1 ATOM 427 C C . LEU A 1 53 ? 9.524 -60.730 -16.782 1.00 11.25 ? 135 LEU A C 1 ATOM 428 O O . LEU A 1 53 ? 10.176 -61.771 -16.682 1.00 9.39 ? 135 LEU A O 1 ATOM 429 C CB . LEU A 1 53 ? 10.591 -59.888 -18.877 1.00 9.34 ? 135 LEU A CB 1 ATOM 430 C CG . LEU A 1 53 ? 11.071 -58.715 -19.733 1.00 11.69 ? 135 LEU A CG 1 ATOM 431 C CD1 . LEU A 1 53 ? 11.670 -59.219 -21.042 1.00 9.04 ? 135 LEU A CD1 1 ATOM 432 C CD2 . LEU A 1 53 ? 9.925 -57.740 -20.002 1.00 9.89 ? 135 LEU A CD2 1 ATOM 433 N N . SER A 1 54 ? 8.299 -60.595 -16.286 1.00 8.31 ? 136 SER A N 1 ATOM 434 C CA . SER A 1 54 ? 7.591 -61.740 -15.726 1.00 7.09 ? 136 SER A CA 1 ATOM 435 C C . SER A 1 54 ? 7.303 -62.753 -16.825 1.00 7.40 ? 136 SER A C 1 ATOM 436 O O . SER A 1 54 ? 7.275 -62.406 -18.013 1.00 8.12 ? 136 SER A O 1 ATOM 437 C CB . SER A 1 54 ? 6.263 -61.291 -15.120 1.00 10.78 ? 136 SER A CB 1 ATOM 438 O OG . SER A 1 54 ? 5.528 -62.415 -14.660 1.00 7.96 ? 136 SER A OG 1 ATOM 439 N N . GLN A 1 55 ? 7.068 -63.998 -16.423 1.00 7.15 ? 137 GLN A N 1 ATOM 440 C CA . GLN A 1 55 ? 6.590 -65.031 -17.334 1.00 9.02 ? 137 GLN A CA 1 ATOM 441 C C . GLN A 1 55 ? 5.124 -65.383 -17.080 1.00 10.23 ? 137 GLN A C 1 ATOM 442 O O . GLN A 1 55 ? 4.594 -66.315 -17.687 1.00 8.34 ? 137 GLN A O 1 ATOM 443 C CB . GLN A 1 55 ? 7.451 -66.296 -17.217 1.00 6.68 ? 137 GLN A CB 1 ATOM 444 C CG . GLN A 1 55 ? 8.888 -66.141 -17.716 1.00 7.28 ? 137 GLN A CG 1 ATOM 445 C CD . GLN A 1 55 ? 9.023 -66.403 -19.203 1.00 10.74 ? 137 GLN A CD 1 ATOM 446 O OE1 . GLN A 1 55 ? 8.039 -66.369 -19.942 1.00 9.73 ? 137 GLN A OE1 1 ATOM 447 N NE2 . GLN A 1 55 ? 10.247 -66.674 -19.650 1.00 9.17 ? 137 GLN A NE2 1 ATOM 448 N N . GLY A 1 56 ? 4.465 -64.642 -16.191 1.00 8.74 ? 138 GLY A N 1 ATOM 449 C CA . GLY A 1 56 ? 3.036 -64.832 -15.988 1.00 7.31 ? 138 GLY A CA 1 ATOM 450 C C . GLY A 1 56 ? 2.695 -66.149 -15.314 1.00 6.65 ? 138 GLY A C 1 ATOM 451 O O . GLY A 1 56 ? 1.672 -66.777 -15.622 1.00 9.74 ? 138 GLY A O 1 ATOM 452 N N . THR A 1 57 ? 3.554 -66.555 -14.381 1.00 6.39 ? 139 THR A N 1 ATOM 453 C CA . THR A 1 57 ? 3.353 -67.756 -13.585 1.00 4.38 ? 139 THR A CA 1 ATOM 454 C C . THR A 1 57 ? 4.292 -67.652 -12.384 1.00 6.26 ? 139 THR A C 1 ATOM 455 O O . THR A 1 57 ? 5.286 -66.920 -12.446 1.00 6.91 ? 139 THR A O 1 ATOM 456 C CB . THR A 1 57 ? 3.691 -69.026 -14.399 1.00 7.48 ? 139 THR A CB 1 ATOM 457 O OG1 . THR A 1 57 ? 3.587 -70.180 -13.559 1.00 8.20 ? 139 THR A OG1 1 ATOM 458 C CG2 . THR A 1 57 ? 5.108 -68.942 -14.968 1.00 9.41 ? 139 THR A CG2 1 ATOM 459 N N . THR A 1 58 ? 3.981 -68.338 -11.286 1.00 8.35 ? 140 THR A N 1 ATOM 460 C CA . THR A 1 58 ? 4.942 -68.429 -10.186 1.00 8.65 ? 140 THR A CA 1 ATOM 461 C C . THR A 1 58 ? 5.885 -69.606 -10.415 1.00 6.35 ? 140 THR A C 1 ATOM 462 O O . THR A 1 58 ? 5.639 -70.437 -11.293 1.00 9.17 ? 140 THR A O 1 ATOM 463 C CB . THR A 1 58 ? 4.281 -68.553 -8.793 1.00 9.62 ? 140 THR A CB 1 ATOM 464 O OG1 . THR A 1 58 ? 3.599 -69.809 -8.681 1.00 8.52 ? 140 THR A OG1 1 ATOM 465 C CG2 . THR A 1 58 ? 3.297 -67.411 -8.540 1.00 9.03 ? 140 THR A CG2 1 ATOM 466 N N . ILE A 1 59 ? 6.956 -69.678 -9.625 1.00 6.56 ? 141 ILE A N 1 ATOM 467 C CA . ILE A 1 59 ? 7.960 -70.734 -9.794 1.00 8.19 ? 141 ILE A CA 1 ATOM 468 C C . ILE A 1 59 ? 7.407 -72.106 -9.423 1.00 10.09 ? 141 ILE A C 1 ATOM 469 O O . ILE A 1 59 ? 7.664 -73.094 -10.117 1.00 11.70 ? 141 ILE A O 1 ATOM 470 C CB . ILE A 1 59 ? 9.220 -70.492 -8.940 1.00 11.07 ? 141 ILE A CB 1 ATOM 471 C CG1 . ILE A 1 59 ? 9.733 -69.062 -9.084 1.00 16.86 ? 141 ILE A CG1 1 ATOM 472 C CG2 . ILE A 1 59 ? 10.315 -71.480 -9.328 1.00 11.03 ? 141 ILE A CG2 1 ATOM 473 C CD1 . ILE A 1 59 ? 10.988 -68.779 -8.244 1.00 20.63 ? 141 ILE A CD1 1 ATOM 474 N N . ARG A 1 60 ? 6.662 -72.167 -8.322 1.00 8.85 ? 142 ARG A N 1 ATOM 475 C CA . ARG A 1 60 ? 6.070 -73.421 -7.882 1.00 9.11 ? 142 ARG A CA 1 ATOM 476 C C . ARG A 1 60 ? 4.820 -73.764 -8.684 1.00 11.25 ? 142 ARG A C 1 ATOM 477 O O . ARG A 1 60 ? 4.333 -74.895 -8.633 1.00 10.26 ? 142 ARG A O 1 ATOM 478 C CB . ARG A 1 60 ? 5.752 -73.366 -6.384 1.00 10.78 ? 142 ARG A CB 1 ATOM 479 C CG . ARG A 1 60 ? 6.970 -73.596 -5.495 1.00 12.95 ? 142 ARG A CG 1 ATOM 480 C CD . ARG A 1 60 ? 7.513 -75.008 -5.666 1.00 14.77 ? 142 ARG A CD 1 ATOM 481 N NE . ARG A 1 60 ? 8.391 -75.419 -4.566 1.00 13.44 ? 142 ARG A NE 1 ATOM 482 C CZ . ARG A 1 60 ? 8.998 -76.601 -4.511 1.00 15.45 ? 142 ARG A CZ 1 ATOM 483 N NH1 . ARG A 1 60 ? 8.820 -77.468 -5.501 1.00 16.12 ? 142 ARG A NH1 1 ATOM 484 N NH2 . ARG A 1 60 ? 9.781 -76.920 -3.479 1.00 13.82 ? 142 ARG A NH2 1 ATOM 485 N N . GLY A 1 61 ? 4.314 -72.800 -9.443 1.00 7.62 ? 143 GLY A N 1 ATOM 486 C CA . GLY A 1 61 ? 3.153 -73.048 -10.285 1.00 8.97 ? 143 GLY A CA 1 ATOM 487 C C . GLY A 1 61 ? 3.478 -74.009 -11.409 1.00 11.56 ? 143 GLY A C 1 ATOM 488 O O . GLY A 1 61 ? 4.604 -74.025 -11.909 1.00 9.19 ? 143 GLY A O 1 ATOM 489 N N . LYS A 1 62 ? 2.499 -74.808 -11.819 1.00 9.38 ? 144 LYS A N 1 ATOM 490 C CA . LYS A 1 62 ? 2.724 -75.757 -12.903 1.00 9.81 ? 144 LYS A CA 1 ATOM 491 C C . LYS A 1 62 ? 3.060 -75.075 -14.230 1.00 7.82 ? 144 LYS A C 1 ATOM 492 O O . LYS A 1 62 ? 3.715 -75.668 -15.093 1.00 9.82 ? 144 LYS A O 1 ATOM 493 C CB . LYS A 1 62 ? 1.517 -76.686 -13.058 1.00 6.89 ? 144 LYS A CB 1 ATOM 494 C CG . LYS A 1 62 ? 1.350 -77.659 -11.893 1.00 9.98 ? 144 LYS A CG 1 ATOM 495 C CD . LYS A 1 62 ? 0.105 -78.527 -12.098 1.00 11.01 ? 144 LYS A CD 1 ATOM 496 C CE . LYS A 1 62 ? -0.087 -79.507 -10.953 1.00 16.66 ? 144 LYS A CE 1 ATOM 497 N NZ . LYS A 1 62 ? -1.263 -80.391 -11.207 1.00 16.37 ? 144 LYS A NZ 1 ATOM 498 N N . HIS A 1 63 ? 2.630 -73.827 -14.396 1.00 8.44 ? 145 HIS A N 1 ATOM 499 C CA . HIS A 1 63 ? 2.922 -73.104 -15.630 1.00 8.60 ? 145 HIS A CA 1 ATOM 500 C C . HIS A 1 63 ? 4.382 -72.647 -15.725 1.00 10.50 ? 145 HIS A C 1 ATOM 501 O O . HIS A 1 63 ? 4.779 -72.058 -16.727 1.00 10.36 ? 145 HIS A O 1 ATOM 502 C CB . HIS A 1 63 ? 1.964 -71.921 -15.823 1.00 8.61 ? 145 HIS A CB 1 ATOM 503 C CG . HIS A 1 63 ? 0.532 -72.321 -16.025 1.00 9.40 ? 145 HIS A CG 1 ATOM 504 N ND1 . HIS A 1 63 ? -0.380 -72.357 -14.991 1.00 9.25 ? 145 HIS A ND1 1 ATOM 505 C CD2 . HIS A 1 63 ? -0.146 -72.693 -17.137 1.00 9.92 ? 145 HIS A CD2 1 ATOM 506 C CE1 . HIS A 1 63 ? -1.558 -72.733 -15.458 1.00 11.29 ? 145 HIS A CE1 1 ATOM 507 N NE2 . HIS A 1 63 ? -1.442 -72.947 -16.757 1.00 8.96 ? 145 HIS A NE2 1 ATOM 508 N N . SER A 1 64 ? 5.190 -72.937 -14.704 1.00 8.60 ? 146 SER A N 1 ATOM 509 C CA . SER A 1 64 ? 6.616 -72.603 -14.776 1.00 9.24 ? 146 SER A CA 1 ATOM 510 C C . SER A 1 64 ? 7.338 -73.524 -15.760 1.00 7.54 ? 146 SER A C 1 ATOM 511 O O . SER A 1 64 ? 8.450 -73.229 -16.200 1.00 8.73 ? 146 SER A O 1 ATOM 512 C CB . SER A 1 64 ? 7.279 -72.680 -13.395 1.00 9.03 ? 146 SER A CB 1 ATOM 513 O OG . SER A 1 64 ? 7.379 -74.022 -12.947 1.00 12.10 ? 146 SER A OG 1 ATOM 514 N N . ASN A 1 65 ? 6.696 -74.638 -16.103 1.00 8.00 ? 147 ASN A N 1 ATOM 515 C CA . ASN A 1 65 ? 7.249 -75.588 -17.061 1.00 10.03 ? 147 ASN A CA 1 ATOM 516 C C . ASN A 1 65 ? 7.321 -74.972 -18.449 1.00 10.63 ? 147 ASN A C 1 ATOM 517 O O . ASN A 1 65 ? 6.295 -74.622 -19.040 1.00 11.89 ? 147 ASN A O 1 ATOM 518 C CB . ASN A 1 65 ? 6.388 -76.858 -17.090 1.00 11.53 ? 147 ASN A CB 1 ATOM 519 C CG . ASN A 1 65 ? 7.028 -77.993 -17.873 1.00 15.26 ? 147 ASN A CG 1 ATOM 520 O OD1 . ASN A 1 65 ? 8.016 -77.800 -18.594 1.00 12.33 ? 147 ASN A OD1 1 ATOM 521 N ND2 . ASN A 1 65 ? 6.461 -79.198 -17.725 1.00 20.22 ? 147 ASN A ND2 1 ATOM 522 N N . GLY A 1 66 ? 8.536 -74.839 -18.970 1.00 8.73 ? 148 GLY A N 1 ATOM 523 C CA . GLY A 1 66 ? 8.720 -74.293 -20.302 1.00 13.91 ? 148 GLY A CA 1 ATOM 524 C C . GLY A 1 66 ? 9.161 -72.840 -20.320 1.00 12.91 ? 148 GLY A C 1 ATOM 525 O O . GLY A 1 66 ? 9.254 -72.233 -21.391 1.00 11.77 ? 148 GLY A O 1 ATOM 526 N N . THR A 1 67 ? 9.451 -72.279 -19.145 1.00 8.45 ? 149 THR A N 1 ATOM 527 C CA . THR A 1 67 ? 9.816 -70.863 -19.060 1.00 13.13 ? 149 THR A CA 1 ATOM 528 C C . THR A 1 67 ? 11.242 -70.536 -19.514 1.00 11.90 ? 149 THR A C 1 ATOM 529 O O . THR A 1 67 ? 11.683 -69.401 -19.374 1.00 11.51 ? 149 THR A O 1 ATOM 530 C CB . THR A 1 67 ? 9.555 -70.250 -17.649 1.00 7.61 ? 149 THR A CB 1 ATOM 531 O OG1 . THR A 1 67 ? 10.070 -71.119 -16.633 1.00 8.64 ? 149 THR A OG1 1 ATOM 532 C CG2 . THR A 1 67 ? 8.065 -70.055 -17.429 1.00 9.85 ? 149 THR A CG2 1 ATOM 533 N N . ILE A 1 68 ? 11.960 -71.509 -20.076 1.00 9.67 ? 150 ILE A N 1 ATOM 534 C CA . ILE A 1 68 ? 13.199 -71.168 -20.784 1.00 8.63 ? 150 ILE A CA 1 ATOM 535 C C . ILE A 1 68 ? 12.874 -70.323 -22.027 1.00 11.14 ? 150 ILE A C 1 ATOM 536 O O . ILE A 1 68 ? 13.717 -69.559 -22.514 1.00 13.41 ? 150 ILE A O 1 ATOM 537 C CB . ILE A 1 68 ? 14.019 -72.434 -21.173 1.00 13.54 ? 150 ILE A CB 1 ATOM 538 C CG1 . ILE A 1 68 ? 15.429 -72.046 -21.658 1.00 15.34 ? 150 ILE A CG1 1 ATOM 539 C CG2 . ILE A 1 68 ? 13.271 -73.269 -22.209 1.00 12.62 ? 150 ILE A CG2 1 ATOM 540 C CD1 . ILE A 1 68 ? 16.347 -73.235 -21.953 1.00 16.05 ? 150 ILE A CD1 1 ATOM 541 N N A HIS A 1 69 ? 11.651 -70.457 -22.528 0.47 11.84 ? 151 HIS A N 1 ATOM 542 N N B HIS A 1 69 ? 11.642 -70.452 -22.513 0.53 11.83 ? 151 HIS A N 1 ATOM 543 C CA A HIS A 1 69 ? 11.236 -69.733 -23.723 0.47 12.74 ? 151 HIS A CA 1 ATOM 544 C CA B HIS A 1 69 ? 11.169 -69.742 -23.702 0.53 12.72 ? 151 HIS A CA 1 ATOM 545 C C A HIS A 1 69 ? 11.255 -68.232 -23.481 0.47 13.12 ? 151 HIS A C 1 ATOM 546 C C B HIS A 1 69 ? 11.205 -68.224 -23.494 0.53 13.11 ? 151 HIS A C 1 ATOM 547 O O A HIS A 1 69 ? 10.817 -67.755 -22.436 0.47 12.22 ? 151 HIS A O 1 ATOM 548 O O B HIS A 1 69 ? 10.734 -67.726 -22.475 0.53 12.19 ? 151 HIS A O 1 ATOM 549 C CB A HIS A 1 69 ? 9.842 -70.171 -24.156 0.47 14.93 ? 151 HIS A CB 1 ATOM 550 C CB B HIS A 1 69 ? 9.744 -70.196 -24.021 0.53 14.88 ? 151 HIS A CB 1 ATOM 551 C CG A HIS A 1 69 ? 9.743 -71.626 -24.486 0.47 17.46 ? 151 HIS A CG 1 ATOM 552 C CG B HIS A 1 69 ? 9.301 -69.893 -25.419 0.53 17.45 ? 151 HIS A CG 1 ATOM 553 N ND1 A HIS A 1 69 ? 8.639 -72.385 -24.166 0.47 22.48 ? 151 HIS A ND1 1 ATOM 554 N ND1 B HIS A 1 69 ? 9.989 -70.329 -26.530 0.53 21.27 ? 151 HIS A ND1 1 ATOM 555 C CD2 A HIS A 1 69 ? 10.604 -72.460 -25.117 0.47 23.21 ? 151 HIS A CD2 1 ATOM 556 C CD2 B HIS A 1 69 ? 8.222 -69.220 -25.884 0.53 21.74 ? 151 HIS A CD2 1 ATOM 557 C CE1 A HIS A 1 69 ? 8.826 -73.625 -24.578 0.47 23.62 ? 151 HIS A CE1 1 ATOM 558 C CE1 B HIS A 1 69 ? 9.362 -69.924 -27.621 0.53 19.85 ? 151 HIS A CE1 1 ATOM 559 N NE2 A HIS A 1 69 ? 10.011 -73.698 -25.158 0.47 22.87 ? 151 HIS A NE2 1 ATOM 560 N NE2 B HIS A 1 69 ? 8.288 -69.248 -27.256 0.53 14.40 ? 151 HIS A NE2 1 ATOM 561 N N . ASP A 1 70 ? 11.764 -67.491 -24.457 1.00 12.97 ? 152 ASP A N 1 ATOM 562 C CA . ASP A 1 70 ? 11.950 -66.046 -24.297 1.00 10.70 ? 152 ASP A CA 1 ATOM 563 C C . ASP A 1 70 ? 10.715 -65.196 -24.576 1.00 11.11 ? 152 ASP A C 1 ATOM 564 O O . ASP A 1 70 ? 10.527 -64.153 -23.956 1.00 11.78 ? 152 ASP A O 1 ATOM 565 C CB . ASP A 1 70 ? 13.079 -65.553 -25.203 1.00 11.93 ? 152 ASP A CB 1 ATOM 566 C CG . ASP A 1 70 ? 14.410 -66.191 -24.881 1.00 19.02 ? 152 ASP A CG 1 ATOM 567 O OD1 . ASP A 1 70 ? 14.746 -66.308 -23.685 1.00 12.93 ? 152 ASP A OD1 1 ATOM 568 O OD2 . ASP A 1 70 ? 15.126 -66.573 -25.831 1.00 19.78 ? 152 ASP A OD2 1 ATOM 569 N N . ARG A 1 71 ? 9.891 -65.617 -25.529 1.00 8.97 ? 153 ARG A N 1 ATOM 570 C CA . ARG A 1 71 ? 8.809 -64.750 -25.987 1.00 10.17 ? 153 ARG A CA 1 ATOM 571 C C . ARG A 1 71 ? 7.461 -65.456 -25.942 1.00 15.57 ? 153 ARG A C 1 ATOM 572 O O . ARG A 1 71 ? 7.278 -66.509 -26.557 1.00 17.65 ? 153 ARG A O 1 ATOM 573 C CB . ARG A 1 71 ? 9.096 -64.219 -27.403 1.00 10.48 ? 153 ARG A CB 1 ATOM 574 C CG . ARG A 1 71 ? 10.329 -63.307 -27.487 1.00 10.22 ? 153 ARG A CG 1 ATOM 575 C CD . ARG A 1 71 ? 10.642 -62.878 -28.934 1.00 10.48 ? 153 ARG A CD 1 ATOM 576 N NE . ARG A 1 71 ? 10.883 -64.046 -29.783 1.00 13.16 ? 153 ARG A NE 1 ATOM 577 C CZ . ARG A 1 71 ? 12.024 -64.729 -29.819 1.00 16.94 ? 153 ARG A CZ 1 ATOM 578 N NH1 . ARG A 1 71 ? 13.055 -64.364 -29.062 1.00 13.27 ? 153 ARG A NH1 1 ATOM 579 N NH2 . ARG A 1 71 ? 12.135 -65.785 -30.621 1.00 16.17 ? 153 ARG A NH2 1 ATOM 580 N N . SER A 1 72 ? 6.528 -64.882 -25.189 1.00 12.19 ? 154 SER A N 1 ATOM 581 C CA . SER A 1 72 ? 5.162 -65.391 -25.143 1.00 10.29 ? 154 SER A CA 1 ATOM 582 C C . SER A 1 72 ? 4.233 -64.238 -24.821 1.00 11.40 ? 154 SER A C 1 ATOM 583 O O . SER A 1 72 ? 4.680 -63.150 -24.434 1.00 10.19 ? 154 SER A O 1 ATOM 584 C CB . SER A 1 72 ? 5.004 -66.456 -24.061 1.00 9.96 ? 154 SER A CB 1 ATOM 585 O OG . SER A 1 72 ? 4.889 -65.845 -22.782 1.00 10.14 ? 154 SER A OG 1 ATOM 586 N N . GLN A 1 73 ? 2.936 -64.497 -24.958 1.00 9.42 ? 155 GLN A N 1 ATOM 587 C CA . GLN A 1 73 ? 1.906 -63.514 -24.666 1.00 9.64 ? 155 GLN A CA 1 ATOM 588 C C . GLN A 1 73 ? 1.691 -63.323 -23.170 1.00 9.97 ? 155 GLN A C 1 ATOM 589 O O . GLN A 1 73 ? 0.855 -62.513 -22.760 1.00 9.33 ? 155 GLN A O 1 ATOM 590 C CB . GLN A 1 73 ? 0.587 -63.948 -25.310 1.00 10.95 ? 155 GLN A CB 1 ATOM 591 C CG . GLN A 1 73 ? 0.627 -64.030 -26.840 1.00 9.33 ? 155 GLN A CG 1 ATOM 592 C CD . GLN A 1 73 ? 0.933 -65.416 -27.379 1.00 12.16 ? 155 GLN A CD 1 ATOM 593 O OE1 . GLN A 1 73 ? 1.702 -66.184 -26.789 1.00 10.72 ? 155 GLN A OE1 1 ATOM 594 N NE2 . GLN A 1 73 ? 0.329 -65.743 -28.521 1.00 13.39 ? 155 GLN A NE2 1 ATOM 595 N N . TYR A 1 74 ? 2.446 -64.053 -22.355 1.00 7.94 ? 156 TYR A N 1 ATOM 596 C CA . TYR A 1 74 ? 2.196 -64.077 -20.914 1.00 5.50 ? 156 TYR A CA 1 ATOM 597 C C . TYR A 1 74 ? 3.263 -63.288 -20.178 1.00 9.78 ? 156 TYR A C 1 ATOM 598 O O . TYR A 1 74 ? 3.280 -63.249 -18.953 1.00 7.99 ? 156 TYR A O 1 ATOM 599 C CB . TYR A 1 74 ? 2.105 -65.533 -20.422 1.00 7.24 ? 156 TYR A CB 1 ATOM 600 C CG . TYR A 1 74 ? 1.324 -66.340 -21.426 1.00 10.81 ? 156 TYR A CG 1 ATOM 601 C CD1 . TYR A 1 74 ? 0.019 -65.983 -21.748 1.00 8.74 ? 156 TYR A CD1 1 ATOM 602 C CD2 . TYR A 1 74 ? 1.903 -67.402 -22.107 1.00 11.69 ? 156 TYR A CD2 1 ATOM 603 C CE1 . TYR A 1 74 ? -0.696 -66.674 -22.705 1.00 8.14 ? 156 TYR A CE1 1 ATOM 604 C CE2 . TYR A 1 74 ? 1.188 -68.112 -23.065 1.00 11.64 ? 156 TYR A CE2 1 ATOM 605 C CZ . TYR A 1 74 ? -0.113 -67.737 -23.360 1.00 11.49 ? 156 TYR A CZ 1 ATOM 606 O OH . TYR A 1 74 ? -0.848 -68.423 -24.310 1.00 12.53 ? 156 TYR A OH 1 ATOM 607 N N . ARG A 1 75 ? 4.131 -62.630 -20.939 1.00 6.55 ? 157 ARG A N 1 ATOM 608 C CA . ARG A 1 75 ? 5.206 -61.844 -20.347 1.00 7.81 ? 157 ARG A CA 1 ATOM 609 C C . ARG A 1 75 ? 4.816 -60.382 -20.187 1.00 6.76 ? 157 ARG A C 1 ATOM 610 O O . ARG A 1 75 ? 3.946 -59.867 -20.905 1.00 9.22 ? 157 ARG A O 1 ATOM 611 C CB . ARG A 1 75 ? 6.496 -61.978 -21.169 1.00 8.70 ? 157 ARG A CB 1 ATOM 612 C CG . ARG A 1 75 ? 6.986 -63.419 -21.282 1.00 7.58 ? 157 ARG A CG 1 ATOM 613 C CD . ARG A 1 75 ? 8.478 -63.474 -21.520 1.00 8.22 ? 157 ARG A CD 1 ATOM 614 N NE . ARG A 1 75 ? 9.230 -63.275 -20.278 1.00 7.09 ? 157 ARG A NE 1 ATOM 615 C CZ . ARG A 1 75 ? 10.548 -63.385 -20.192 1.00 8.10 ? 157 ARG A CZ 1 ATOM 616 N NH1 . ARG A 1 75 ? 11.157 -63.208 -19.025 1.00 6.63 ? 157 ARG A NH1 1 ATOM 617 N NH2 . ARG A 1 75 ? 11.255 -63.680 -21.276 1.00 8.98 ? 157 ARG A NH2 1 ATOM 618 N N . ALA A 1 76 ? 5.435 -59.723 -19.215 1.00 8.69 ? 158 ALA A N 1 ATOM 619 C CA . ALA A 1 76 ? 5.174 -58.305 -18.970 1.00 8.76 ? 158 ALA A CA 1 ATOM 620 C C . ALA A 1 76 ? 6.331 -57.705 -18.204 1.00 9.88 ? 158 ALA A C 1 ATOM 621 O O . ALA A 1 76 ? 6.989 -58.403 -17.435 1.00 7.31 ? 158 ALA A O 1 ATOM 622 C CB . ALA A 1 76 ? 3.888 -58.132 -18.168 1.00 10.03 ? 158 ALA A CB 1 ATOM 623 N N . LEU A 1 77 ? 6.580 -56.416 -18.406 1.00 8.00 ? 159 LEU A N 1 ATOM 624 C CA . LEU A 1 77 ? 7.544 -55.710 -17.572 1.00 6.26 ? 159 LEU A CA 1 ATOM 625 C C . LEU A 1 77 ? 6.873 -55.420 -16.232 1.00 6.95 ? 159 LEU A C 1 ATOM 626 O O . LEU A 1 77 ? 5.822 -54.771 -16.181 1.00 9.08 ? 159 LEU A O 1 ATOM 627 C CB . LEU A 1 77 ? 7.982 -54.399 -18.232 1.00 8.78 ? 159 LEU A CB 1 ATOM 628 C CG . LEU A 1 77 ? 8.843 -53.471 -17.367 1.00 6.57 ? 159 LEU A CG 1 ATOM 629 C CD1 . LEU A 1 77 ? 10.159 -54.152 -17.003 1.00 6.42 ? 159 LEU A CD1 1 ATOM 630 C CD2 . LEU A 1 77 ? 9.087 -52.122 -18.054 1.00 8.64 ? 159 LEU A CD2 1 ATOM 631 N N . ILE A 1 78 ? 7.466 -55.921 -15.153 1.00 7.37 ? 160 ILE A N 1 ATOM 632 C CA . ILE A 1 78 ? 6.995 -55.608 -13.810 1.00 7.43 ? 160 ILE A CA 1 ATOM 633 C C . ILE A 1 78 ? 8.066 -54.858 -13.016 1.00 7.40 ? 160 ILE A C 1 ATOM 634 O O . ILE A 1 78 ? 9.256 -54.952 -13.319 1.00 8.22 ? 160 ILE A O 1 ATOM 635 C CB . ILE A 1 78 ? 6.586 -56.870 -13.037 1.00 7.34 ? 160 ILE A CB 1 ATOM 636 C CG1 . ILE A 1 78 ? 7.707 -57.917 -13.066 1.00 7.80 ? 160 ILE A CG1 1 ATOM 637 C CG2 . ILE A 1 78 ? 5.292 -57.453 -13.619 1.00 7.75 ? 160 ILE A CG2 1 ATOM 638 C CD1 . ILE A 1 78 ? 7.516 -59.034 -12.043 1.00 7.41 ? 160 ILE A CD1 1 ATOM 639 N N . SER A 1 79 ? 7.637 -54.102 -12.012 1.00 6.82 ? 161 SER A N 1 ATOM 640 C CA . SER A 1 79 ? 8.579 -53.510 -11.071 1.00 8.25 ? 161 SER A CA 1 ATOM 641 C C . SER A 1 79 ? 8.109 -53.800 -9.659 1.00 7.68 ? 161 SER A C 1 ATOM 642 O O . SER A 1 79 ? 6.927 -54.075 -9.433 1.00 9.02 ? 161 SER A O 1 ATOM 643 C CB . SER A 1 79 ? 8.743 -52.004 -11.293 1.00 8.33 ? 161 SER A CB 1 ATOM 644 O OG . SER A 1 79 ? 7.566 -51.300 -10.965 1.00 10.82 ? 161 SER A OG 1 ATOM 645 N N . TRP A 1 80 ? 9.037 -53.767 -8.710 1.00 8.44 ? 162 TRP A N 1 ATOM 646 C CA . TRP A 1 80 ? 8.696 -54.075 -7.326 1.00 9.61 ? 162 TRP A CA 1 ATOM 647 C C . TRP A 1 80 ? 9.726 -53.434 -6.399 1.00 9.15 ? 162 TRP A C 1 ATOM 648 O O . TRP A 1 80 ? 10.792 -53.025 -6.865 1.00 9.98 ? 162 TRP A O 1 ATOM 649 C CB . TRP A 1 80 ? 8.559 -55.594 -7.133 1.00 9.78 ? 162 TRP A CB 1 ATOM 650 C CG . TRP A 1 80 ? 9.826 -56.382 -7.310 1.00 8.91 ? 162 TRP A CG 1 ATOM 651 C CD1 . TRP A 1 80 ? 10.666 -56.790 -6.324 1.00 7.93 ? 162 TRP A CD1 1 ATOM 652 C CD2 . TRP A 1 80 ? 10.374 -56.881 -8.542 1.00 8.29 ? 162 TRP A CD2 1 ATOM 653 N NE1 . TRP A 1 80 ? 11.711 -57.506 -6.857 1.00 8.87 ? 162 TRP A NE1 1 ATOM 654 C CE2 . TRP A 1 80 ? 11.556 -57.577 -8.217 1.00 8.02 ? 162 TRP A CE2 1 ATOM 655 C CE3 . TRP A 1 80 ? 9.987 -56.799 -9.888 1.00 8.96 ? 162 TRP A CE3 1 ATOM 656 C CZ2 . TRP A 1 80 ? 12.355 -58.192 -9.184 1.00 8.77 ? 162 TRP A CZ2 1 ATOM 657 C CZ3 . TRP A 1 80 ? 10.786 -57.414 -10.856 1.00 7.79 ? 162 TRP A CZ3 1 ATOM 658 C CH2 . TRP A 1 80 ? 11.954 -58.101 -10.495 1.00 8.44 ? 162 TRP A CH2 1 ATOM 659 N N . PRO A 1 81 ? 9.399 -53.294 -5.100 1.00 8.70 ? 163 PRO A N 1 ATOM 660 C CA . PRO A 1 81 ? 10.304 -52.560 -4.206 1.00 8.23 ? 163 PRO A CA 1 ATOM 661 C C . PRO A 1 81 ? 11.705 -53.154 -4.109 1.00 8.13 ? 163 PRO A C 1 ATOM 662 O O . PRO A 1 81 ? 11.877 -54.383 -4.100 1.00 8.03 ? 163 PRO A O 1 ATOM 663 C CB . PRO A 1 81 ? 9.589 -52.631 -2.856 1.00 11.55 ? 163 PRO A CB 1 ATOM 664 C CG . PRO A 1 81 ? 8.130 -52.671 -3.233 1.00 9.50 ? 163 PRO A CG 1 ATOM 665 C CD . PRO A 1 81 ? 8.104 -53.572 -4.448 1.00 9.85 ? 163 PRO A CD 1 ATOM 666 N N . LEU A 1 82 ? 12.692 -52.263 -4.039 1.00 9.03 ? 164 LEU A N 1 ATOM 667 C CA . LEU A 1 82 ? 14.104 -52.628 -3.987 1.00 7.87 ? 164 LEU A CA 1 ATOM 668 C C . LEU A 1 82 ? 14.353 -53.747 -2.980 1.00 7.36 ? 164 LEU A C 1 ATOM 669 O O . LEU A 1 82 ? 13.940 -53.649 -1.824 1.00 7.89 ? 164 LEU A O 1 ATOM 670 C CB . LEU A 1 82 ? 14.943 -51.404 -3.614 1.00 10.58 ? 164 LEU A CB 1 ATOM 671 C CG . LEU A 1 82 ? 16.442 -51.518 -3.892 1.00 17.15 ? 164 LEU A CG 1 ATOM 672 C CD1 . LEU A 1 82 ? 16.722 -51.236 -5.359 1.00 17.17 ? 164 LEU A CD1 1 ATOM 673 C CD2 . LEU A 1 82 ? 17.224 -50.559 -2.989 1.00 12.79 ? 164 LEU A CD2 1 ATOM 674 N N . SER A 1 83 ? 14.993 -54.817 -3.454 1.00 8.08 ? 165 SER A N 1 ATOM 675 C CA . SER A 1 83 ? 15.381 -55.991 -2.647 1.00 8.32 ? 165 SER A CA 1 ATOM 676 C C . SER A 1 83 ? 14.273 -56.925 -2.132 1.00 5.63 ? 165 SER A C 1 ATOM 677 O O . SER A 1 83 ? 14.572 -57.959 -1.528 1.00 8.74 ? 165 SER A O 1 ATOM 678 C CB . SER A 1 83 ? 16.348 -55.616 -1.520 1.00 7.31 ? 165 SER A CB 1 ATOM 679 O OG . SER A 1 83 ? 17.576 -55.147 -2.059 1.00 9.49 ? 165 SER A OG 1 ATOM 680 N N A SER A 1 84 ? 13.014 -56.564 -2.366 0.50 7.60 ? 166 SER A N 1 ATOM 681 N N B SER A 1 84 ? 13.008 -56.567 -2.341 0.50 7.59 ? 166 SER A N 1 ATOM 682 C CA A SER A 1 84 ? 11.927 -57.519 -2.200 0.50 7.67 ? 166 SER A CA 1 ATOM 683 C CA B SER A 1 84 ? 11.938 -57.537 -2.137 0.50 7.66 ? 166 SER A CA 1 ATOM 684 C C A SER A 1 84 ? 11.966 -58.456 -3.399 0.50 7.24 ? 166 SER A C 1 ATOM 685 C C B SER A 1 84 ? 11.935 -58.435 -3.377 0.50 7.26 ? 166 SER A C 1 ATOM 686 O O A SER A 1 84 ? 12.570 -58.127 -4.420 0.50 8.05 ? 166 SER A O 1 ATOM 687 O O B SER A 1 84 ? 12.503 -58.063 -4.403 0.50 8.09 ? 166 SER A O 1 ATOM 688 C CB A SER A 1 84 ? 10.579 -56.803 -2.143 0.50 8.81 ? 166 SER A CB 1 ATOM 689 C CB B SER A 1 84 ? 10.587 -56.840 -1.946 0.50 8.59 ? 166 SER A CB 1 ATOM 690 O OG A SER A 1 84 ? 10.398 -56.145 -0.908 0.50 6.63 ? 166 SER A OG 1 ATOM 691 O OG B SER A 1 84 ? 10.173 -56.160 -3.121 0.50 6.02 ? 166 SER A OG 1 ATOM 692 N N . PRO A 1 85 ? 11.334 -59.633 -3.289 1.00 8.02 ? 167 PRO A N 1 ATOM 693 C CA . PRO A 1 85 ? 11.262 -60.465 -4.495 1.00 9.07 ? 167 PRO A CA 1 ATOM 694 C C . PRO A 1 85 ? 10.046 -60.067 -5.340 1.00 6.56 ? 167 PRO A C 1 ATOM 695 O O . PRO A 1 85 ? 9.156 -59.380 -4.834 1.00 8.66 ? 167 PRO A O 1 ATOM 696 C CB . PRO A 1 85 ? 11.112 -61.884 -3.928 1.00 14.61 ? 167 PRO A CB 1 ATOM 697 C CG . PRO A 1 85 ? 10.435 -61.706 -2.625 1.00 10.69 ? 167 PRO A CG 1 ATOM 698 C CD . PRO A 1 85 ? 10.786 -60.323 -2.107 1.00 8.32 ? 167 PRO A CD 1 ATOM 699 N N . PRO A 1 86 ? 10.018 -60.457 -6.626 1.00 6.31 ? 168 PRO A N 1 ATOM 700 C CA . PRO A 1 86 ? 8.858 -60.109 -7.450 1.00 6.05 ? 168 PRO A CA 1 ATOM 701 C C . PRO A 1 86 ? 7.695 -61.050 -7.175 1.00 10.86 ? 168 PRO A C 1 ATOM 702 O O . PRO A 1 86 ? 7.641 -62.143 -7.741 1.00 11.75 ? 168 PRO A O 1 ATOM 703 C CB . PRO A 1 86 ? 9.371 -60.305 -8.878 1.00 9.11 ? 168 PRO A CB 1 ATOM 704 C CG . PRO A 1 86 ? 10.448 -61.372 -8.755 1.00 8.90 ? 168 PRO A CG 1 ATOM 705 C CD . PRO A 1 86 ? 11.075 -61.143 -7.393 1.00 7.03 ? 168 PRO A CD 1 ATOM 706 N N . THR A 1 87 ? 6.767 -60.635 -6.319 1.00 8.01 ? 169 THR A N 1 ATOM 707 C CA . THR A 1 87 ? 5.679 -61.529 -5.946 1.00 9.67 ? 169 THR A CA 1 ATOM 708 C C . THR A 1 87 ? 4.415 -61.169 -6.719 1.00 10.38 ? 169 THR A C 1 ATOM 709 O O . THR A 1 87 ? 4.321 -60.088 -7.306 1.00 8.13 ? 169 THR A O 1 ATOM 710 C CB . THR A 1 87 ? 5.386 -61.485 -4.437 1.00 9.13 ? 169 THR A CB 1 ATOM 711 O OG1 . THR A 1 87 ? 4.630 -60.312 -4.131 1.00 13.30 ? 169 THR A OG1 1 ATOM 712 C CG2 . THR A 1 87 ? 6.683 -61.468 -3.635 1.00 13.03 ? 169 THR A CG2 1 ATOM 713 N N . VAL A 1 88 ? 3.453 -62.083 -6.729 1.00 8.91 ? 170 VAL A N 1 ATOM 714 C CA . VAL A 1 88 ? 2.160 -61.819 -7.348 1.00 8.62 ? 170 VAL A CA 1 ATOM 715 C C . VAL A 1 88 ? 1.509 -60.589 -6.712 1.00 7.83 ? 170 VAL A C 1 ATOM 716 O O . VAL A 1 88 ? 0.828 -59.823 -7.383 1.00 12.55 ? 170 VAL A O 1 ATOM 717 C CB . VAL A 1 88 ? 1.235 -63.043 -7.212 1.00 9.35 ? 170 VAL A CB 1 ATOM 718 C CG1 . VAL A 1 88 ? -0.163 -62.752 -7.766 1.00 11.02 ? 170 VAL A CG1 1 ATOM 719 C CG2 . VAL A 1 88 ? 1.851 -64.236 -7.936 1.00 8.36 ? 170 VAL A CG2 1 ATOM 720 N N . TYR A 1 89 ? 1.755 -60.390 -5.420 1.00 8.67 ? 171 TYR A N 1 ATOM 721 C CA . TYR A 1 89 ? 1.026 -59.384 -4.644 1.00 11.45 ? 171 TYR A CA 1 ATOM 722 C C . TYR A 1 89 ? 1.732 -58.029 -4.503 1.00 14.77 ? 171 TYR A C 1 ATOM 723 O O . TYR A 1 89 ? 1.139 -57.066 -4.009 1.00 16.89 ? 171 TYR A O 1 ATOM 724 C CB . TYR A 1 89 ? 0.689 -59.952 -3.255 1.00 10.23 ? 171 TYR A CB 1 ATOM 725 C CG . TYR A 1 89 ? 0.236 -61.394 -3.321 1.00 8.96 ? 171 TYR A CG 1 ATOM 726 C CD1 . TYR A 1 89 ? -0.866 -61.751 -4.080 1.00 8.83 ? 171 TYR A CD1 1 ATOM 727 C CD2 . TYR A 1 89 ? 0.923 -62.396 -2.642 1.00 10.85 ? 171 TYR A CD2 1 ATOM 728 C CE1 . TYR A 1 89 ? -1.285 -63.061 -4.164 1.00 8.43 ? 171 TYR A CE1 1 ATOM 729 C CE2 . TYR A 1 89 ? 0.517 -63.717 -2.721 1.00 7.27 ? 171 TYR A CE2 1 ATOM 730 C CZ . TYR A 1 89 ? -0.596 -64.037 -3.487 1.00 9.40 ? 171 TYR A CZ 1 ATOM 731 O OH . TYR A 1 89 ? -1.022 -65.338 -3.583 1.00 10.23 ? 171 TYR A OH 1 ATOM 732 N N . ASN A 1 90 ? 2.991 -57.944 -4.919 1.00 11.30 ? 172 ASN A N 1 ATOM 733 C CA . ASN A 1 90 ? 3.727 -56.685 -4.772 1.00 11.65 ? 172 ASN A CA 1 ATOM 734 C C . ASN A 1 90 ? 4.304 -56.169 -6.086 1.00 15.61 ? 172 ASN A C 1 ATOM 735 O O . ASN A 1 90 ? 5.007 -55.157 -6.108 1.00 22.71 ? 172 ASN A O 1 ATOM 736 C CB . ASN A 1 90 ? 4.849 -56.827 -3.728 1.00 12.19 ? 172 ASN A CB 1 ATOM 737 C CG . ASN A 1 90 ? 6.048 -57.632 -4.250 1.00 21.58 ? 172 ASN A CG 1 ATOM 738 O OD1 . ASN A 1 90 ? 5.915 -58.436 -5.169 1.00 24.37 ? 172 ASN A OD1 1 ATOM 739 N ND2 . ASN A 1 90 ? 7.216 -57.419 -3.656 1.00 16.67 ? 172 ASN A ND2 1 ATOM 740 N N . SER A 1 91 ? 4.034 -56.874 -7.178 1.00 9.42 ? 173 SER A N 1 ATOM 741 C CA . SER A 1 91 ? 4.615 -56.499 -8.461 1.00 7.29 ? 173 SER A CA 1 ATOM 742 C C . SER A 1 91 ? 3.666 -55.586 -9.230 1.00 13.02 ? 173 SER A C 1 ATOM 743 O O . SER A 1 91 ? 2.473 -55.867 -9.327 1.00 17.77 ? 173 SER A O 1 ATOM 744 C CB . SER A 1 91 ? 4.933 -57.743 -9.292 1.00 7.88 ? 173 SER A CB 1 ATOM 745 O OG . SER A 1 91 ? 5.992 -58.495 -8.717 1.00 12.32 ? 173 SER A OG 1 ATOM 746 N N . ARG A 1 92 ? 4.201 -54.493 -9.767 1.00 6.34 ? 174 ARG A N 1 ATOM 747 C CA . ARG A 1 92 ? 3.401 -53.545 -10.531 1.00 7.22 ? 174 ARG A CA 1 ATOM 748 C C . ARG A 1 92 ? 3.709 -53.720 -12.010 1.00 9.78 ? 174 ARG A C 1 ATOM 749 O O . ARG A 1 92 ? 4.870 -53.642 -12.423 1.00 10.67 ? 174 ARG A O 1 ATOM 750 C CB . ARG A 1 92 ? 3.723 -52.110 -10.093 1.00 10.36 ? 174 ARG A CB 1 ATOM 751 C CG . ARG A 1 92 ? 3.082 -51.031 -10.952 1.00 16.58 ? 174 ARG A CG 1 ATOM 752 C CD . ARG A 1 92 ? 3.203 -49.658 -10.293 1.00 21.28 ? 174 ARG A CD 1 ATOM 753 N NE . ARG A 1 92 ? 4.559 -49.116 -10.343 1.00 25.58 ? 174 ARG A NE 1 ATOM 754 C CZ . ARG A 1 92 ? 5.098 -48.371 -9.379 1.00 22.45 ? 174 ARG A CZ 1 ATOM 755 N NH1 . ARG A 1 92 ? 4.405 -48.095 -8.282 1.00 20.18 ? 174 ARG A NH1 1 ATOM 756 N NH2 . ARG A 1 92 ? 6.335 -47.912 -9.505 1.00 17.43 ? 174 ARG A NH2 1 ATOM 757 N N . VAL A 1 93 ? 2.680 -53.977 -12.811 1.00 10.10 ? 175 VAL A N 1 ATOM 758 C CA . VAL A 1 93 ? 2.892 -54.147 -14.244 1.00 7.21 ? 175 VAL A CA 1 ATOM 759 C C . VAL A 1 93 ? 3.060 -52.793 -14.917 1.00 9.82 ? 175 VAL A C 1 ATOM 760 O O . VAL A 1 93 ? 2.179 -51.934 -14.817 1.00 11.79 ? 175 VAL A O 1 ATOM 761 C CB . VAL A 1 93 ? 1.718 -54.888 -14.910 1.00 10.24 ? 175 VAL A CB 1 ATOM 762 C CG1 . VAL A 1 93 ? 1.936 -54.961 -16.422 1.00 9.39 ? 175 VAL A CG1 1 ATOM 763 C CG2 . VAL A 1 93 ? 1.590 -56.289 -14.330 1.00 8.30 ? 175 VAL A CG2 1 ATOM 764 N N . GLU A 1 94 ? 4.182 -52.615 -15.612 1.00 7.80 ? 176 GLU A N 1 ATOM 765 C CA . GLU A 1 94 ? 4.468 -51.365 -16.317 1.00 8.18 ? 176 GLU A CA 1 ATOM 766 C C . GLU A 1 94 ? 3.914 -51.382 -17.748 1.00 11.96 ? 176 GLU A C 1 ATOM 767 O O . GLU A 1 94 ? 3.423 -50.366 -18.241 1.00 11.87 ? 176 GLU A O 1 ATOM 768 C CB . GLU A 1 94 ? 5.980 -51.091 -16.333 1.00 8.04 ? 176 GLU A CB 1 ATOM 769 C CG . GLU A 1 94 ? 6.642 -51.069 -14.931 1.00 13.12 ? 176 GLU A CG 1 ATOM 770 C CD . GLU A 1 94 ? 6.180 -49.911 -14.050 1.00 22.57 ? 176 GLU A CD 1 ATOM 771 O OE1 . GLU A 1 94 ? 5.617 -48.930 -14.579 1.00 26.25 ? 176 GLU A OE1 1 ATOM 772 O OE2 . GLU A 1 94 ? 6.379 -49.988 -12.815 1.00 20.43 ? 176 GLU A OE2 1 ATOM 773 N N . CYS A 1 95 ? 4.014 -52.532 -18.407 1.00 8.71 ? 177 CYS A N 1 ATOM 774 C CA . CYS A 1 95 ? 3.434 -52.734 -19.742 1.00 7.39 ? 177 CYS A CA 1 ATOM 775 C C . CYS A 1 95 ? 3.553 -54.203 -20.136 1.00 10.71 ? 177 CYS A C 1 ATOM 776 O O . CYS A 1 95 ? 4.227 -54.971 -19.456 1.00 9.96 ? 177 CYS A O 1 ATOM 777 C CB . CYS A 1 95 ? 4.077 -51.821 -20.801 1.00 10.35 ? 177 CYS A CB 1 ATOM 778 S SG . CYS A 1 95 ? 5.874 -51.632 -20.712 1.00 14.45 ? 177 CYS A SG 1 ATOM 779 N N . ILE A 1 96 ? 2.898 -54.587 -21.229 1.00 8.66 ? 178 ILE A N 1 ATOM 780 C CA . ILE A 1 96 ? 2.853 -55.989 -21.647 1.00 8.24 ? 178 ILE A CA 1 ATOM 781 C C . ILE A 1 96 ? 3.832 -56.266 -22.787 1.00 8.47 ? 178 ILE A C 1 ATOM 782 O O . ILE A 1 96 ? 3.855 -55.528 -23.771 1.00 9.45 ? 178 ILE A O 1 ATOM 783 C CB . ILE A 1 96 ? 1.435 -56.368 -22.121 1.00 6.92 ? 178 ILE A CB 1 ATOM 784 C CG1 . ILE A 1 96 ? 0.393 -56.002 -21.058 1.00 9.40 ? 178 ILE A CG1 1 ATOM 785 C CG2 . ILE A 1 96 ? 1.373 -57.846 -22.513 1.00 8.76 ? 178 ILE A CG2 1 ATOM 786 C CD1 . ILE A 1 96 ? 0.617 -56.703 -19.716 1.00 13.44 ? 178 ILE A CD1 1 ATOM 787 N N . GLY A 1 97 ? 4.629 -57.329 -22.672 1.00 8.48 ? 179 GLY A N 1 ATOM 788 C CA . GLY A 1 97 ? 5.573 -57.673 -23.731 1.00 7.37 ? 179 GLY A CA 1 ATOM 789 C C . GLY A 1 97 ? 6.771 -58.488 -23.269 1.00 11.85 ? 179 GLY A C 1 ATOM 790 O O . GLY A 1 97 ? 6.852 -58.883 -22.098 1.00 9.35 ? 179 GLY A O 1 ATOM 791 N N . TRP A 1 98 ? 7.703 -58.733 -24.192 1.00 8.24 ? 180 TRP A N 1 ATOM 792 C CA . TRP A 1 98 ? 8.847 -59.615 -23.937 1.00 6.64 ? 180 TRP A CA 1 ATOM 793 C C . TRP A 1 98 ? 10.224 -58.979 -24.185 1.00 7.87 ? 180 TRP A C 1 ATOM 794 O O . TRP A 1 98 ? 11.243 -59.682 -24.247 1.00 9.83 ? 180 TRP A O 1 ATOM 795 C CB . TRP A 1 98 ? 8.697 -60.935 -24.721 1.00 6.59 ? 180 TRP A CB 1 ATOM 796 C CG . TRP A 1 98 ? 8.175 -60.778 -26.131 1.00 10.31 ? 180 TRP A CG 1 ATOM 797 C CD1 . TRP A 1 98 ? 6.949 -61.173 -26.601 1.00 8.83 ? 180 TRP A CD1 1 ATOM 798 C CD2 . TRP A 1 98 ? 8.861 -60.196 -27.250 1.00 11.28 ? 180 TRP A CD2 1 ATOM 799 N NE1 . TRP A 1 98 ? 6.832 -60.869 -27.939 1.00 10.05 ? 180 TRP A NE1 1 ATOM 800 C CE2 . TRP A 1 98 ? 7.991 -60.269 -28.360 1.00 10.04 ? 180 TRP A CE2 1 ATOM 801 C CE3 . TRP A 1 98 ? 10.129 -59.622 -27.420 1.00 9.99 ? 180 TRP A CE3 1 ATOM 802 C CZ2 . TRP A 1 98 ? 8.345 -59.786 -29.623 1.00 11.93 ? 180 TRP A CZ2 1 ATOM 803 C CZ3 . TRP A 1 98 ? 10.480 -59.148 -28.667 1.00 9.70 ? 180 TRP A CZ3 1 ATOM 804 C CH2 . TRP A 1 98 ? 9.592 -59.227 -29.755 1.00 10.40 ? 180 TRP A CH2 1 ATOM 805 N N . SER A 1 99 ? 10.250 -57.655 -24.336 1.00 10.42 ? 181 SER A N 1 ATOM 806 C CA . SER A 1 99 ? 11.506 -56.890 -24.379 1.00 7.75 ? 181 SER A CA 1 ATOM 807 C C . SER A 1 99 ? 11.189 -55.494 -23.880 1.00 9.31 ? 181 SER A C 1 ATOM 808 O O . SER A 1 99 ? 10.161 -54.930 -24.266 1.00 9.94 ? 181 SER A O 1 ATOM 809 C CB . SER A 1 99 ? 12.063 -56.817 -25.801 1.00 10.21 ? 181 SER A CB 1 ATOM 810 O OG . SER A 1 99 ? 13.347 -56.199 -25.800 1.00 9.61 ? 181 SER A OG 1 ATOM 811 N N . SER A 1 100 ? 12.041 -54.926 -23.025 1.00 6.79 ? 182 SER A N 1 ATOM 812 C CA . SER A 1 100 ? 11.679 -53.658 -22.390 1.00 7.47 ? 182 SER A CA 1 ATOM 813 C C . SER A 1 100 ? 12.841 -52.727 -22.088 1.00 9.94 ? 182 SER A C 1 ATOM 814 O O . SER A 1 100 ? 14.010 -53.118 -22.111 1.00 8.63 ? 182 SER A O 1 ATOM 815 C CB . SER A 1 100 ? 10.929 -53.913 -21.075 1.00 9.56 ? 182 SER A CB 1 ATOM 816 O OG . SER A 1 100 ? 11.842 -54.098 -20.002 1.00 10.12 ? 182 SER A OG 1 ATOM 817 N N . THR A 1 101 ? 12.483 -51.480 -21.799 1.00 10.12 ? 183 THR A N 1 ATOM 818 C CA . THR A 1 101 ? 13.372 -50.552 -21.123 1.00 7.10 ? 183 THR A CA 1 ATOM 819 C C . THR A 1 101 ? 12.463 -49.609 -20.362 1.00 7.06 ? 183 THR A C 1 ATOM 820 O O . THR A 1 101 ? 11.248 -49.593 -20.585 1.00 10.50 ? 183 THR A O 1 ATOM 821 C CB . THR A 1 101 ? 14.232 -49.738 -22.101 1.00 8.95 ? 183 THR A CB 1 ATOM 822 O OG1 . THR A 1 101 ? 15.163 -48.939 -21.358 1.00 8.90 ? 183 THR A OG1 1 ATOM 823 C CG2 . THR A 1 101 ? 13.355 -48.821 -22.941 1.00 11.62 ? 183 THR A CG2 1 ATOM 824 N N . SER A 1 102 ? 13.050 -48.813 -19.477 1.00 8.61 ? 184 SER A N 1 ATOM 825 C CA . SER A 1 102 ? 12.269 -47.899 -18.656 1.00 10.46 ? 184 SER A CA 1 ATOM 826 C C . SER A 1 102 ? 13.221 -46.884 -18.047 1.00 11.06 ? 184 SER A C 1 ATOM 827 O O . SER A 1 102 ? 14.362 -47.222 -17.727 1.00 8.67 ? 184 SER A O 1 ATOM 828 C CB . SER A 1 102 ? 11.553 -48.683 -17.550 1.00 9.37 ? 184 SER A CB 1 ATOM 829 O OG . SER A 1 102 ? 10.652 -47.859 -16.829 1.00 9.58 ? 184 SER A OG 1 ATOM 830 N N . CYS A 1 103 ? 12.765 -45.641 -17.902 1.00 10.52 ? 185 CYS A N 1 ATOM 831 C CA . CYS A 1 103 ? 13.554 -44.614 -17.218 1.00 9.06 ? 185 CYS A CA 1 ATOM 832 C C . CYS A 1 103 ? 12.692 -43.435 -16.780 1.00 10.23 ? 185 CYS A C 1 ATOM 833 O O . CYS A 1 103 ? 11.680 -43.117 -17.410 1.00 9.32 ? 185 CYS A O 1 ATOM 834 C CB . CYS A 1 103 ? 14.729 -44.131 -18.090 1.00 7.90 ? 185 CYS A CB 1 ATOM 835 S SG . CYS A 1 103 ? 14.331 -43.693 -19.801 1.00 11.21 ? 185 CYS A SG 1 ATOM 836 N N . HIS A 1 104 ? 13.099 -42.792 -15.692 1.00 10.23 ? 186 HIS A N 1 ATOM 837 C CA . HIS A 1 104 ? 12.403 -41.603 -15.208 1.00 9.24 ? 186 HIS A CA 1 ATOM 838 C C . HIS A 1 104 ? 13.130 -40.360 -15.712 1.00 10.11 ? 186 HIS A C 1 ATOM 839 O O . HIS A 1 104 ? 14.357 -40.316 -15.691 1.00 11.63 ? 186 HIS A O 1 ATOM 840 C CB . HIS A 1 104 ? 12.376 -41.609 -13.678 1.00 9.48 ? 186 HIS A CB 1 ATOM 841 C CG . HIS A 1 104 ? 11.242 -40.830 -13.091 1.00 12.73 ? 186 HIS A CG 1 ATOM 842 N ND1 . HIS A 1 104 ? 11.219 -39.452 -13.063 1.00 12.26 ? 186 HIS A ND1 1 ATOM 843 C CD2 . HIS A 1 104 ? 10.088 -41.237 -12.510 1.00 11.63 ? 186 HIS A CD2 1 ATOM 844 C CE1 . HIS A 1 104 ? 10.102 -39.043 -12.487 1.00 10.34 ? 186 HIS A CE1 1 ATOM 845 N NE2 . HIS A 1 104 ? 9.398 -40.108 -12.140 1.00 11.17 ? 186 HIS A NE2 1 ATOM 846 N N . ASP A 1 105 ? 12.386 -39.354 -16.174 1.00 11.03 ? 187 ASP A N 1 ATOM 847 C CA . ASP A 1 105 ? 13.025 -38.141 -16.695 1.00 7.11 ? 187 ASP A CA 1 ATOM 848 C C . ASP A 1 105 ? 13.115 -37.012 -15.671 1.00 11.80 ? 187 ASP A C 1 ATOM 849 O O . ASP A 1 105 ? 13.543 -35.900 -16.002 1.00 11.76 ? 187 ASP A O 1 ATOM 850 C CB . ASP A 1 105 ? 12.333 -37.655 -17.988 1.00 7.21 ? 187 ASP A CB 1 ATOM 851 C CG . ASP A 1 105 ? 10.884 -37.215 -17.769 1.00 10.22 ? 187 ASP A CG 1 ATOM 852 O OD1 . ASP A 1 105 ? 10.487 -36.940 -16.620 1.00 11.22 ? 187 ASP A OD1 1 ATOM 853 O OD2 . ASP A 1 105 ? 10.130 -37.129 -18.766 1.00 13.79 ? 187 ASP A OD2 1 ATOM 854 N N . GLY A 1 106 ? 12.701 -37.293 -14.436 1.00 9.12 ? 188 GLY A N 1 ATOM 855 C CA . GLY A 1 106 ? 12.656 -36.279 -13.394 1.00 9.00 ? 188 GLY A CA 1 ATOM 856 C C . GLY A 1 106 ? 11.233 -35.858 -13.066 1.00 10.64 ? 188 GLY A C 1 ATOM 857 O O . GLY A 1 106 ? 10.932 -35.519 -11.919 1.00 12.91 ? 188 GLY A O 1 ATOM 858 N N . LYS A 1 107 ? 10.364 -35.864 -14.079 1.00 11.26 ? 189 LYS A N 1 ATOM 859 C CA . LYS A 1 107 ? 8.939 -35.582 -13.892 1.00 9.78 ? 189 LYS A CA 1 ATOM 860 C C . LYS A 1 107 ? 8.109 -36.866 -13.839 1.00 10.88 ? 189 LYS A C 1 ATOM 861 O O . LYS A 1 107 ? 7.365 -37.096 -12.880 1.00 11.42 ? 189 LYS A O 1 ATOM 862 C CB . LYS A 1 107 ? 8.416 -34.682 -15.019 1.00 12.63 ? 189 LYS A CB 1 ATOM 863 C CG . LYS A 1 107 ? 9.024 -33.280 -15.039 1.00 13.99 ? 189 LYS A CG 1 ATOM 864 C CD . LYS A 1 107 ? 8.293 -32.393 -16.053 1.00 19.23 ? 189 LYS A CD 1 ATOM 865 C CE . LYS A 1 107 ? 8.970 -31.047 -16.222 1.00 24.21 ? 189 LYS A CE 1 ATOM 866 N NZ . LYS A 1 107 ? 8.185 -30.156 -17.131 1.00 24.93 ? 189 LYS A NZ 1 ATOM 867 N N . SER A 1 108 ? 8.230 -37.689 -14.878 1.00 10.11 ? 190 SER A N 1 ATOM 868 C CA . SER A 1 108 ? 7.512 -38.963 -14.942 1.00 9.83 ? 190 SER A CA 1 ATOM 869 C C . SER A 1 108 ? 8.381 -40.056 -15.546 1.00 12.33 ? 190 SER A C 1 ATOM 870 O O . SER A 1 108 ? 9.463 -39.785 -16.085 1.00 10.82 ? 190 SER A O 1 ATOM 871 C CB . SER A 1 108 ? 6.219 -38.838 -15.756 1.00 14.14 ? 190 SER A CB 1 ATOM 872 O OG . SER A 1 108 ? 5.300 -37.957 -15.137 1.00 16.20 ? 190 SER A OG 1 ATOM 873 N N . ARG A 1 109 ? 7.895 -41.291 -15.456 1.00 11.28 ? 191 ARG A N 1 ATOM 874 C CA . ARG A 1 109 ? 8.614 -42.446 -15.989 1.00 9.66 ? 191 ARG A CA 1 ATOM 875 C C . ARG A 1 109 ? 8.133 -42.827 -17.383 1.00 9.94 ? 191 ARG A C 1 ATOM 876 O O . ARG A 1 109 ? 6.929 -42.831 -17.652 1.00 10.00 ? 191 ARG A O 1 ATOM 877 C CB . ARG A 1 109 ? 8.446 -43.641 -15.047 1.00 7.79 ? 191 ARG A CB 1 ATOM 878 C CG . ARG A 1 109 ? 9.023 -44.954 -15.587 1.00 8.06 ? 191 ARG A CG 1 ATOM 879 C CD . ARG A 1 109 ? 9.286 -45.948 -14.455 1.00 9.00 ? 191 ARG A CD 1 ATOM 880 N NE . ARG A 1 109 ? 10.373 -45.511 -13.580 1.00 8.56 ? 191 ARG A NE 1 ATOM 881 C CZ . ARG A 1 109 ? 11.663 -45.775 -13.789 1.00 9.32 ? 191 ARG A CZ 1 ATOM 882 N NH1 . ARG A 1 109 ? 12.048 -46.467 -14.856 1.00 8.09 ? 191 ARG A NH1 1 ATOM 883 N NH2 . ARG A 1 109 ? 12.579 -45.341 -12.928 1.00 8.40 ? 191 ARG A NH2 1 ATOM 884 N N . MET A 1 110 ? 9.077 -43.137 -18.267 1.00 7.10 ? 192 MET A N 1 ATOM 885 C CA . MET A 1 110 ? 8.750 -43.734 -19.561 1.00 8.40 ? 192 MET A CA 1 ATOM 886 C C . MET A 1 110 ? 9.053 -45.230 -19.497 1.00 7.90 ? 192 MET A C 1 ATOM 887 O O . MET A 1 110 ? 10.124 -45.620 -19.049 1.00 9.31 ? 192 MET A O 1 ATOM 888 C CB . MET A 1 110 ? 9.594 -43.101 -20.672 1.00 8.26 ? 192 MET A CB 1 ATOM 889 C CG . MET A 1 110 ? 9.366 -43.741 -22.051 1.00 11.28 ? 192 MET A CG 1 ATOM 890 S SD . MET A 1 110 ? 10.398 -43.081 -23.384 1.00 10.55 ? 192 MET A SD 1 ATOM 891 C CE . MET A 1 110 ? 12.025 -43.636 -22.888 1.00 13.04 ? 192 MET A CE 1 ATOM 892 N N . SER A 1 111 ? 8.119 -46.069 -19.936 1.00 9.43 ? 193 SER A N 1 ATOM 893 C CA . SER A 1 111 ? 8.394 -47.506 -20.036 1.00 9.35 ? 193 SER A CA 1 ATOM 894 C C . SER A 1 111 ? 8.035 -47.974 -21.431 1.00 8.02 ? 193 SER A C 1 ATOM 895 O O . SER A 1 111 ? 7.019 -47.559 -21.988 1.00 12.54 ? 193 SER A O 1 ATOM 896 C CB . SER A 1 111 ? 7.608 -48.312 -18.995 1.00 9.40 ? 193 SER A CB 1 ATOM 897 O OG . SER A 1 111 ? 8.006 -47.983 -17.674 1.00 10.75 ? 193 SER A OG 1 ATOM 898 N N . ILE A 1 112 ? 8.869 -48.837 -22.001 1.00 7.61 ? 194 ILE A N 1 ATOM 899 C CA . ILE A 1 112 ? 8.631 -49.318 -23.352 1.00 6.32 ? 194 ILE A CA 1 ATOM 900 C C . ILE A 1 112 ? 8.614 -50.838 -23.346 1.00 10.04 ? 194 ILE A C 1 ATOM 901 O O . ILE A 1 112 ? 9.537 -51.466 -22.821 1.00 9.69 ? 194 ILE A O 1 ATOM 902 C CB . ILE A 1 112 ? 9.699 -48.815 -24.342 1.00 10.14 ? 194 ILE A CB 1 ATOM 903 C CG1 . ILE A 1 112 ? 9.770 -47.281 -24.332 1.00 10.61 ? 194 ILE A CG1 1 ATOM 904 C CG2 . ILE A 1 112 ? 9.382 -49.304 -25.757 1.00 10.62 ? 194 ILE A CG2 1 ATOM 905 C CD1 . ILE A 1 112 ? 10.823 -46.690 -25.294 1.00 9.78 ? 194 ILE A CD1 1 ATOM 906 N N . CYS A 1 113 ? 7.552 -51.419 -23.899 1.00 8.05 ? 195 CYS A N 1 ATOM 907 C CA . CYS A 1 113 ? 7.415 -52.871 -23.996 1.00 11.18 ? 195 CYS A CA 1 ATOM 908 C C . CYS A 1 113 ? 7.156 -53.255 -25.440 1.00 9.61 ? 195 CYS A C 1 ATOM 909 O O . CYS A 1 113 ? 6.318 -52.645 -26.100 1.00 9.86 ? 195 CYS A O 1 ATOM 910 C CB . CYS A 1 113 ? 6.230 -53.351 -23.158 1.00 10.78 ? 195 CYS A CB 1 ATOM 911 S SG . CYS A 1 113 ? 6.548 -53.443 -21.367 1.00 15.90 ? 195 CYS A SG 1 ATOM 912 N N . ILE A 1 114 ? 7.863 -54.274 -25.921 1.00 8.87 ? 196 ILE A N 1 ATOM 913 C CA . ILE A 1 114 ? 7.629 -54.816 -27.258 1.00 8.40 ? 196 ILE A CA 1 ATOM 914 C C . ILE A 1 114 ? 6.911 -56.162 -27.164 1.00 8.12 ? 196 ILE A C 1 ATOM 915 O O . ILE A 1 114 ? 7.284 -57.007 -26.349 1.00 9.72 ? 196 ILE A O 1 ATOM 916 C CB . ILE A 1 114 ? 8.967 -55.005 -28.008 1.00 5.81 ? 196 ILE A CB 1 ATOM 917 C CG1 . ILE A 1 114 ? 9.649 -53.650 -28.207 1.00 8.68 ? 196 ILE A CG1 1 ATOM 918 C CG2 . ILE A 1 114 ? 8.754 -55.686 -29.359 1.00 7.44 ? 196 ILE A CG2 1 ATOM 919 C CD1 . ILE A 1 114 ? 11.137 -53.761 -28.549 1.00 9.67 ? 196 ILE A CD1 1 ATOM 920 N N . SER A 1 115 ? 5.884 -56.363 -27.996 1.00 7.69 ? 197 SER A N 1 ATOM 921 C CA . SER A 1 115 ? 5.187 -57.648 -28.053 1.00 9.52 ? 197 SER A CA 1 ATOM 922 C C . SER A 1 115 ? 4.881 -57.994 -29.497 1.00 13.89 ? 197 SER A C 1 ATOM 923 O O . SER A 1 115 ? 5.076 -57.173 -30.392 1.00 10.64 ? 197 SER A O 1 ATOM 924 C CB . SER A 1 115 ? 3.877 -57.624 -27.251 1.00 10.69 ? 197 SER A CB 1 ATOM 925 O OG . SER A 1 115 ? 2.839 -56.964 -27.965 1.00 7.91 ? 197 SER A OG 1 ATOM 926 N N . GLY A 1 116 ? 4.410 -59.215 -29.717 1.00 9.54 ? 198 GLY A N 1 ATOM 927 C CA . GLY A 1 116 ? 4.020 -59.653 -31.045 1.00 10.39 ? 198 GLY A CA 1 ATOM 928 C C . GLY A 1 116 ? 4.753 -60.915 -31.455 1.00 8.22 ? 198 GLY A C 1 ATOM 929 O O . GLY A 1 116 ? 5.641 -61.388 -30.740 1.00 9.59 ? 198 GLY A O 1 ATOM 930 N N . PRO A 1 117 ? 4.395 -61.464 -32.622 1.00 9.14 ? 199 PRO A N 1 ATOM 931 C CA . PRO A 1 117 ? 5.134 -62.590 -33.190 1.00 9.25 ? 199 PRO A CA 1 ATOM 932 C C . PRO A 1 117 ? 6.446 -62.077 -33.762 1.00 10.53 ? 199 PRO A C 1 ATOM 933 O O . PRO A 1 117 ? 6.610 -60.860 -33.900 1.00 10.60 ? 199 PRO A O 1 ATOM 934 C CB . PRO A 1 117 ? 4.222 -63.062 -34.326 1.00 11.43 ? 199 PRO A CB 1 ATOM 935 C CG . PRO A 1 117 ? 3.545 -61.804 -34.783 1.00 9.94 ? 199 PRO A CG 1 ATOM 936 C CD . PRO A 1 117 ? 3.351 -60.961 -33.534 1.00 9.82 ? 199 PRO A CD 1 ATOM 937 N N . ASN A 1 118 ? 7.366 -62.979 -34.087 1.00 10.50 ? 200 ASN A N 1 ATOM 938 C CA . ASN A 1 118 ? 8.688 -62.573 -34.567 1.00 8.75 ? 200 ASN A CA 1 ATOM 939 C C . ASN A 1 118 ? 8.660 -61.649 -35.785 1.00 8.45 ? 200 ASN A C 1 ATOM 940 O O . ASN A 1 118 ? 9.498 -60.757 -35.906 1.00 11.27 ? 200 ASN A O 1 ATOM 941 C CB . ASN A 1 118 ? 9.547 -63.804 -34.877 1.00 10.97 ? 200 ASN A CB 1 ATOM 942 C CG . ASN A 1 118 ? 9.833 -64.647 -33.643 1.00 16.69 ? 200 ASN A CG 1 ATOM 943 O OD1 . ASN A 1 118 ? 9.579 -64.227 -32.517 1.00 14.19 ? 200 ASN A OD1 1 ATOM 944 N ND2 . ASN A 1 118 ? 10.373 -65.843 -33.855 1.00 16.33 ? 200 ASN A ND2 1 ATOM 945 N N . ASN A 1 119 ? 7.694 -61.857 -36.676 1.00 11.46 ? 201 ASN A N 1 ATOM 946 C CA . ASN A 1 119 ? 7.645 -61.101 -37.925 1.00 10.71 ? 201 ASN A CA 1 ATOM 947 C C . ASN A 1 119 ? 6.697 -59.899 -37.914 1.00 12.06 ? 201 ASN A C 1 ATOM 948 O O . ASN A 1 119 ? 6.441 -59.296 -38.960 1.00 12.44 ? 201 ASN A O 1 ATOM 949 C CB . ASN A 1 119 ? 7.309 -62.031 -39.103 1.00 13.49 ? 201 ASN A CB 1 ATOM 950 C CG . ASN A 1 119 ? 5.905 -62.625 -39.013 1.00 18.64 ? 201 ASN A CG 1 ATOM 951 O OD1 . ASN A 1 119 ? 5.126 -62.305 -38.105 1.00 13.63 ? 201 ASN A OD1 1 ATOM 952 N ND2 . ASN A 1 119 ? 5.574 -63.492 -39.969 1.00 14.18 ? 201 ASN A ND2 1 ATOM 953 N N . ASN A 1 120 ? 6.173 -59.546 -36.742 1.00 11.15 ? 202 ASN A N 1 ATOM 954 C CA . ASN A 1 120 ? 5.150 -58.494 -36.669 1.00 9.10 ? 202 ASN A CA 1 ATOM 955 C C . ASN A 1 120 ? 5.080 -57.846 -35.283 1.00 11.79 ? 202 ASN A C 1 ATOM 956 O O . ASN A 1 120 ? 3.999 -57.513 -34.799 1.00 10.09 ? 202 ASN A O 1 ATOM 957 C CB . ASN A 1 120 ? 3.773 -59.082 -37.038 1.00 8.95 ? 202 ASN A CB 1 ATOM 958 C CG . ASN A 1 120 ? 3.123 -58.397 -38.252 1.00 10.24 ? 202 ASN A CG 1 ATOM 959 O OD1 . ASN A 1 120 ? 3.537 -57.314 -38.675 1.00 10.33 ? 202 ASN A OD1 1 ATOM 960 N ND2 . ASN A 1 120 ? 2.091 -59.051 -38.810 1.00 15.06 ? 202 ASN A ND2 1 ATOM 961 N N . ALA A 1 121 ? 6.237 -57.664 -34.651 1.00 8.53 ? 203 ALA A N 1 ATOM 962 C CA . ALA A 1 121 ? 6.292 -57.092 -33.304 1.00 6.72 ? 203 ALA A CA 1 ATOM 963 C C . ALA A 1 121 ? 6.142 -55.575 -33.315 1.00 11.00 ? 203 ALA A C 1 ATOM 964 O O . ALA A 1 121 ? 6.373 -54.925 -34.331 1.00 9.50 ? 203 ALA A O 1 ATOM 965 C CB . ALA A 1 121 ? 7.589 -57.494 -32.609 1.00 8.75 ? 203 ALA A CB 1 ATOM 966 N N . SER A 1 122 ? 5.772 -55.009 -32.172 1.00 9.12 ? 204 SER A N 1 ATOM 967 C CA . SER A 1 122 ? 5.600 -53.564 -32.075 1.00 11.20 ? 204 SER A CA 1 ATOM 968 C C . SER A 1 122 ? 5.932 -53.092 -30.672 1.00 9.22 ? 204 SER A C 1 ATOM 969 O O . SER A 1 122 ? 5.692 -53.807 -29.699 1.00 9.81 ? 204 SER A O 1 ATOM 970 C CB . SER A 1 122 ? 4.170 -53.156 -32.453 1.00 11.62 ? 204 SER A CB 1 ATOM 971 O OG . SER A 1 122 ? 3.202 -53.787 -31.622 1.00 12.54 ? 204 SER A OG 1 ATOM 972 N N . ALA A 1 123 ? 6.488 -51.887 -30.578 1.00 9.44 ? 205 ALA A N 1 ATOM 973 C CA . ALA A 1 123 ? 6.782 -51.264 -29.292 1.00 7.56 ? 205 ALA A CA 1 ATOM 974 C C . ALA A 1 123 ? 5.655 -50.313 -28.909 1.00 10.46 ? 205 ALA A C 1 ATOM 975 O O . ALA A 1 123 ? 5.153 -49.565 -29.752 1.00 12.07 ? 205 ALA A O 1 ATOM 976 C CB . ALA A 1 123 ? 8.101 -50.503 -29.366 1.00 8.15 ? 205 ALA A CB 1 ATOM 977 N N . VAL A 1 124 ? 5.243 -50.352 -27.647 1.00 9.29 ? 206 VAL A N 1 ATOM 978 C CA . VAL A 1 124 ? 4.336 -49.332 -27.137 1.00 8.72 ? 206 VAL A CA 1 ATOM 979 C C . VAL A 1 124 ? 5.104 -48.518 -26.111 1.00 9.59 ? 206 VAL A C 1 ATOM 980 O O . VAL A 1 124 ? 5.698 -49.080 -25.191 1.00 9.00 ? 206 VAL A O 1 ATOM 981 C CB . VAL A 1 124 ? 3.070 -49.931 -26.502 1.00 11.85 ? 206 VAL A CB 1 ATOM 982 C CG1 . VAL A 1 124 ? 2.153 -48.820 -26.029 1.00 10.14 ? 206 VAL A CG1 1 ATOM 983 C CG2 . VAL A 1 124 ? 2.335 -50.812 -27.508 1.00 9.84 ? 206 VAL A CG2 1 ATOM 984 N N . VAL A 1 125 ? 5.107 -47.200 -26.288 1.00 8.38 ? 207 VAL A N 1 ATOM 985 C CA . VAL A 1 125 ? 5.824 -46.306 -25.392 1.00 8.78 ? 207 VAL A CA 1 ATOM 986 C C . VAL A 1 125 ? 4.848 -45.701 -24.393 1.00 10.55 ? 207 VAL A C 1 ATOM 987 O O . VAL A 1 125 ? 3.933 -44.965 -24.778 1.00 13.18 ? 207 VAL A O 1 ATOM 988 C CB . VAL A 1 125 ? 6.515 -45.173 -26.170 1.00 8.39 ? 207 VAL A CB 1 ATOM 989 C CG1 . VAL A 1 125 ? 7.345 -44.311 -25.224 1.00 9.18 ? 207 VAL A CG1 1 ATOM 990 C CG2 . VAL A 1 125 ? 7.409 -45.757 -27.262 1.00 10.26 ? 207 VAL A CG2 1 ATOM 991 N N . TRP A 1 126 ? 5.046 -46.017 -23.115 1.00 8.38 ? 208 TRP A N 1 ATOM 992 C CA . TRP A 1 126 ? 4.195 -45.509 -22.043 1.00 9.80 ? 208 TRP A CA 1 ATOM 993 C C . TRP A 1 126 ? 4.903 -44.347 -21.370 1.00 11.67 ? 208 TRP A C 1 ATOM 994 O O . TRP A 1 126 ? 6.123 -44.377 -21.222 1.00 8.70 ? 208 TRP A O 1 ATOM 995 C CB . TRP A 1 126 ? 3.941 -46.604 -21.000 1.00 9.45 ? 208 TRP A CB 1 ATOM 996 C CG . TRP A 1 126 ? 3.095 -47.747 -21.496 1.00 11.45 ? 208 TRP A CG 1 ATOM 997 C CD1 . TRP A 1 126 ? 3.421 -48.652 -22.467 1.00 8.97 ? 208 TRP A CD1 1 ATOM 998 C CD2 . TRP A 1 126 ? 1.797 -48.123 -21.020 1.00 10.27 ? 208 TRP A CD2 1 ATOM 999 N NE1 . TRP A 1 126 ? 2.397 -49.554 -22.639 1.00 9.46 ? 208 TRP A NE1 1 ATOM 1000 C CE2 . TRP A 1 126 ? 1.392 -49.254 -21.756 1.00 10.50 ? 208 TRP A CE2 1 ATOM 1001 C CE3 . TRP A 1 126 ? 0.934 -47.608 -20.043 1.00 9.78 ? 208 TRP A CE3 1 ATOM 1002 C CZ2 . TRP A 1 126 ? 0.159 -49.878 -21.551 1.00 14.43 ? 208 TRP A CZ2 1 ATOM 1003 C CZ3 . TRP A 1 126 ? -0.287 -48.235 -19.836 1.00 11.70 ? 208 TRP A CZ3 1 ATOM 1004 C CH2 . TRP A 1 126 ? -0.663 -49.353 -20.589 1.00 10.39 ? 208 TRP A CH2 1 ATOM 1005 N N . TYR A 1 127 ? 4.145 -43.325 -20.974 1.00 8.56 ? 209 TYR A N 1 ATOM 1006 C CA . TYR A 1 127 ? 4.696 -42.202 -20.218 1.00 9.22 ? 209 TYR A CA 1 ATOM 1007 C C . TYR A 1 127 ? 3.687 -41.780 -19.162 1.00 8.95 ? 209 TYR A C 1 ATOM 1008 O O . TYR A 1 127 ? 2.509 -41.597 -19.476 1.00 8.77 ? 209 TYR A O 1 ATOM 1009 C CB . TYR A 1 127 ? 5.007 -41.014 -21.136 1.00 10.90 ? 209 TYR A CB 1 ATOM 1010 C CG . TYR A 1 127 ? 5.718 -39.881 -20.419 1.00 8.77 ? 209 TYR A CG 1 ATOM 1011 C CD1 . TYR A 1 127 ? 7.055 -39.999 -20.063 1.00 9.36 ? 209 TYR A CD1 1 ATOM 1012 C CD2 . TYR A 1 127 ? 5.054 -38.705 -20.100 1.00 11.71 ? 209 TYR A CD2 1 ATOM 1013 C CE1 . TYR A 1 127 ? 7.713 -38.973 -19.402 1.00 13.91 ? 209 TYR A CE1 1 ATOM 1014 C CE2 . TYR A 1 127 ? 5.702 -37.669 -19.441 1.00 8.05 ? 209 TYR A CE2 1 ATOM 1015 C CZ . TYR A 1 127 ? 7.030 -37.811 -19.096 1.00 11.72 ? 209 TYR A CZ 1 ATOM 1016 O OH . TYR A 1 127 ? 7.682 -36.784 -18.443 1.00 10.56 ? 209 TYR A OH 1 ATOM 1017 N N . ASN A 1 128 ? 4.149 -41.629 -17.921 1.00 10.87 ? 210 ASN A N 1 ATOM 1018 C CA . ASN A 1 128 ? 3.266 -41.309 -16.802 1.00 13.28 ? 210 ASN A CA 1 ATOM 1019 C C . ASN A 1 128 ? 2.137 -42.336 -16.734 1.00 11.98 ? 210 ASN A C 1 ATOM 1020 O O . ASN A 1 128 ? 0.974 -41.985 -16.513 1.00 11.09 ? 210 ASN A O 1 ATOM 1021 C CB . ASN A 1 128 ? 2.704 -39.891 -16.955 1.00 13.55 ? 210 ASN A CB 1 ATOM 1022 C CG . ASN A 1 128 ? 2.050 -39.369 -15.684 1.00 22.19 ? 210 ASN A CG 1 ATOM 1023 O OD1 . ASN A 1 128 ? 2.381 -39.794 -14.577 1.00 20.72 ? 210 ASN A OD1 1 ATOM 1024 N ND2 . ASN A 1 128 ? 1.114 -38.437 -15.845 1.00 22.39 ? 210 ASN A ND2 1 ATOM 1025 N N . ARG A 1 129 ? 2.507 -43.598 -16.968 1.00 10.77 ? 211 ARG A N 1 ATOM 1026 C CA . ARG A 1 129 ? 1.619 -44.767 -16.847 1.00 14.03 ? 211 ARG A CA 1 ATOM 1027 C C . ARG A 1 129 ? 0.487 -44.838 -17.876 1.00 12.69 ? 211 ARG A C 1 ATOM 1028 O O . ARG A 1 129 ? -0.501 -45.553 -17.671 1.00 10.79 ? 211 ARG A O 1 ATOM 1029 C CB . ARG A 1 129 ? 1.062 -44.882 -15.418 1.00 15.33 ? 211 ARG A CB 1 ATOM 1030 C CG . ARG A 1 129 ? 2.111 -44.598 -14.337 1.00 27.45 ? 211 ARG A CG 1 ATOM 1031 C CD . ARG A 1 129 ? 1.806 -45.326 -13.037 1.00 28.38 ? 211 ARG A CD 1 ATOM 1032 N NE . ARG A 1 129 ? 1.723 -46.765 -13.265 1.00 30.93 ? 211 ARG A NE 1 ATOM 1033 C CZ . ARG A 1 129 ? 2.778 -47.573 -13.304 1.00 29.10 ? 211 ARG A CZ 1 ATOM 1034 N NH1 . ARG A 1 129 ? 3.997 -47.088 -13.117 1.00 26.12 ? 211 ARG A NH1 1 ATOM 1035 N NH2 . ARG A 1 129 ? 2.617 -48.867 -13.534 1.00 32.78 ? 211 ARG A NH2 1 ATOM 1036 N N . ARG A 1 130 ? 0.648 -44.118 -18.987 1.00 7.30 ? 212 ARG A N 1 ATOM 1037 C CA . ARG A 1 130 ? -0.325 -44.127 -20.082 1.00 8.62 ? 212 ARG A CA 1 ATOM 1038 C C . ARG A 1 130 ? 0.378 -44.389 -21.406 1.00 8.75 ? 212 ARG A C 1 ATOM 1039 O O . ARG A 1 130 ? 1.486 -43.916 -21.618 1.00 10.28 ? 212 ARG A O 1 ATOM 1040 C CB . ARG A 1 130 ? -1.024 -42.767 -20.188 1.00 8.82 ? 212 ARG A CB 1 ATOM 1041 C CG . ARG A 1 130 ? -1.767 -42.314 -18.940 1.00 10.18 ? 212 ARG A CG 1 ATOM 1042 C CD . ARG A 1 130 ? -2.501 -40.990 -19.178 1.00 13.66 ? 212 ARG A CD 1 ATOM 1043 N NE . ARG A 1 130 ? -3.423 -40.679 -18.082 1.00 12.48 ? 212 ARG A NE 1 ATOM 1044 C CZ . ARG A 1 130 ? -3.146 -39.841 -17.085 1.00 19.79 ? 212 ARG A CZ 1 ATOM 1045 N NH1 . ARG A 1 130 ? -1.978 -39.210 -17.045 1.00 23.20 ? 212 ARG A NH1 1 ATOM 1046 N NH2 . ARG A 1 130 ? -4.039 -39.627 -16.129 1.00 13.30 ? 212 ARG A NH2 1 ATOM 1047 N N . PRO A 1 131 ? -0.277 -45.119 -22.320 1.00 10.82 ? 213 PRO A N 1 ATOM 1048 C CA . PRO A 1 131 ? 0.343 -45.334 -23.631 1.00 10.18 ? 213 PRO A CA 1 ATOM 1049 C C . PRO A 1 131 ? 0.319 -44.049 -24.448 1.00 10.09 ? 213 PRO A C 1 ATOM 1050 O O . PRO A 1 131 ? -0.721 -43.385 -24.512 1.00 13.00 ? 213 PRO A O 1 ATOM 1051 C CB . PRO A 1 131 ? -0.553 -46.401 -24.274 1.00 11.48 ? 213 PRO A CB 1 ATOM 1052 C CG . PRO A 1 131 ? -1.902 -46.199 -23.621 1.00 12.13 ? 213 PRO A CG 1 ATOM 1053 C CD . PRO A 1 131 ? -1.581 -45.795 -22.196 1.00 9.93 ? 213 PRO A CD 1 ATOM 1054 N N . VAL A 1 132 ? 1.450 -43.705 -25.058 1.00 7.96 ? 214 VAL A N 1 ATOM 1055 C CA . VAL A 1 132 ? 1.598 -42.430 -25.760 1.00 9.87 ? 214 VAL A CA 1 ATOM 1056 C C . VAL A 1 132 ? 1.953 -42.578 -27.244 1.00 13.98 ? 214 VAL A C 1 ATOM 1057 O O . VAL A 1 132 ? 1.384 -41.887 -28.092 1.00 14.28 ? 214 VAL A O 1 ATOM 1058 C CB . VAL A 1 132 ? 2.640 -41.533 -25.065 1.00 14.39 ? 214 VAL A CB 1 ATOM 1059 C CG1 . VAL A 1 132 ? 3.012 -40.384 -25.954 1.00 19.62 ? 214 VAL A CG1 1 ATOM 1060 C CG2 . VAL A 1 132 ? 2.079 -41.000 -23.757 1.00 12.86 ? 214 VAL A CG2 1 ATOM 1061 N N . ALA A 1 133 ? 2.895 -43.465 -27.555 1.00 10.30 ? 215 ALA A N 1 ATOM 1062 C CA . ALA A 1 133 ? 3.333 -43.672 -28.941 1.00 10.63 ? 215 ALA A CA 1 ATOM 1063 C C . ALA A 1 133 ? 3.605 -45.148 -29.227 1.00 9.73 ? 215 ALA A C 1 ATOM 1064 O O . ALA A 1 133 ? 3.882 -45.923 -28.310 1.00 8.91 ? 215 ALA A O 1 ATOM 1065 C CB . ALA A 1 133 ? 4.580 -42.831 -29.249 1.00 10.40 ? 215 ALA A CB 1 ATOM 1066 N N . GLU A 1 134 ? 3.524 -45.543 -30.495 1.00 8.25 ? 216 GLU A N 1 ATOM 1067 C CA . GLU A 1 134 ? 3.755 -46.941 -30.857 1.00 11.07 ? 216 GLU A CA 1 ATOM 1068 C C . GLU A 1 134 ? 4.699 -47.001 -32.046 1.00 13.03 ? 216 GLU A C 1 ATOM 1069 O O . GLU A 1 134 ? 4.677 -46.116 -32.903 1.00 14.23 ? 216 GLU A O 1 ATOM 1070 C CB . GLU A 1 134 ? 2.440 -47.648 -31.212 1.00 10.14 ? 216 GLU A CB 1 ATOM 1071 C CG . GLU A 1 134 ? 1.322 -47.496 -30.175 1.00 13.19 ? 216 GLU A CG 1 ATOM 1072 C CD . GLU A 1 134 ? 0.683 -46.121 -30.207 1.00 16.58 ? 216 GLU A CD 1 ATOM 1073 O OE1 . GLU A 1 134 ? 0.296 -45.652 -31.304 1.00 16.26 ? 216 GLU A OE1 1 ATOM 1074 O OE2 . GLU A 1 134 ? 0.586 -45.496 -29.132 1.00 15.14 ? 216 GLU A OE2 1 ATOM 1075 N N . ILE A 1 135 ? 5.534 -48.037 -32.098 1.00 8.38 ? 217 ILE A N 1 ATOM 1076 C CA . ILE A 1 135 ? 6.478 -48.193 -33.197 1.00 8.95 ? 217 ILE A CA 1 ATOM 1077 C C . ILE A 1 135 ? 6.393 -49.604 -33.769 1.00 13.08 ? 217 ILE A C 1 ATOM 1078 O O . ILE A 1 135 ? 6.576 -50.584 -33.041 1.00 10.52 ? 217 ILE A O 1 ATOM 1079 C CB . ILE A 1 135 ? 7.927 -47.936 -32.746 1.00 11.55 ? 217 ILE A CB 1 ATOM 1080 C CG1 . ILE A 1 135 ? 8.053 -46.569 -32.070 1.00 11.50 ? 217 ILE A CG1 1 ATOM 1081 C CG2 . ILE A 1 135 ? 8.872 -48.018 -33.943 1.00 11.24 ? 217 ILE A CG2 1 ATOM 1082 C CD1 . ILE A 1 135 ? 9.307 -46.423 -31.221 1.00 12.99 ? 217 ILE A CD1 1 ATOM 1083 N N . ASN A 1 136 ? 6.111 -49.710 -35.066 1.00 10.71 ? 218 ASN A N 1 ATOM 1084 C CA . ASN A 1 136 ? 6.009 -51.018 -35.707 1.00 12.05 ? 218 ASN A CA 1 ATOM 1085 C C . ASN A 1 136 ? 7.369 -51.550 -36.123 1.00 10.08 ? 218 ASN A C 1 ATOM 1086 O O . ASN A 1 136 ? 8.281 -50.771 -36.421 1.00 11.74 ? 218 ASN A O 1 ATOM 1087 C CB . ASN A 1 136 ? 5.110 -50.962 -36.945 1.00 11.21 ? 218 ASN A CB 1 ATOM 1088 C CG . ASN A 1 136 ? 4.558 -52.324 -37.313 1.00 13.56 ? 218 ASN A CG 1 ATOM 1089 O OD1 . ASN A 1 136 ? 4.153 -53.091 -36.437 1.00 12.20 ? 218 ASN A OD1 1 ATOM 1090 N ND2 . ASN A 1 136 ? 4.558 -52.647 -38.605 1.00 13.11 ? 218 ASN A ND2 1 ATOM 1091 N N . THR A 1 137 ? 7.503 -52.875 -36.140 1.00 8.48 ? 219 THR A N 1 ATOM 1092 C CA . THR A 1 137 ? 8.712 -53.521 -36.643 1.00 10.46 ? 219 THR A CA 1 ATOM 1093 C C . THR A 1 137 ? 9.122 -52.945 -38.003 1.00 12.01 ? 219 THR A C 1 ATOM 1094 O O . THR A 1 137 ? 8.265 -52.696 -38.869 1.00 12.08 ? 219 THR A O 1 ATOM 1095 C CB . THR A 1 137 ? 8.535 -55.068 -36.725 1.00 12.43 ? 219 THR A CB 1 ATOM 1096 O OG1 . THR A 1 137 ? 9.722 -55.674 -37.245 1.00 11.38 ? 219 THR A OG1 1 ATOM 1097 C CG2 . THR A 1 137 ? 7.344 -55.455 -37.601 1.00 11.93 ? 219 THR A CG2 1 ATOM 1098 N N . TRP A 1 138 ? 10.419 -52.689 -38.173 1.00 11.69 ? 220 TRP A N 1 ATOM 1099 C CA . TRP A 1 138 ? 10.930 -52.196 -39.455 1.00 15.06 ? 220 TRP A CA 1 ATOM 1100 C C . TRP A 1 138 ? 11.690 -53.250 -40.257 1.00 14.56 ? 220 TRP A C 1 ATOM 1101 O O . TRP A 1 138 ? 11.925 -53.066 -41.452 1.00 14.57 ? 220 TRP A O 1 ATOM 1102 C CB . TRP A 1 138 ? 11.785 -50.931 -39.289 1.00 10.60 ? 220 TRP A CB 1 ATOM 1103 C CG . TRP A 1 138 ? 12.910 -51.029 -38.286 1.00 10.09 ? 220 TRP A CG 1 ATOM 1104 C CD1 . TRP A 1 138 ? 14.171 -51.503 -38.507 1.00 12.30 ? 220 TRP A CD1 1 ATOM 1105 C CD2 . TRP A 1 138 ? 12.874 -50.600 -36.917 1.00 9.72 ? 220 TRP A CD2 1 ATOM 1106 N NE1 . TRP A 1 138 ? 14.922 -51.403 -37.353 1.00 12.05 ? 220 TRP A NE1 1 ATOM 1107 C CE2 . TRP A 1 138 ? 14.146 -50.854 -36.364 1.00 11.22 ? 220 TRP A CE2 1 ATOM 1108 C CE3 . TRP A 1 138 ? 11.889 -50.022 -36.108 1.00 13.11 ? 220 TRP A CE3 1 ATOM 1109 C CZ2 . TRP A 1 138 ? 14.459 -50.552 -35.034 1.00 9.61 ? 220 TRP A CZ2 1 ATOM 1110 C CZ3 . TRP A 1 138 ? 12.200 -49.725 -34.783 1.00 10.56 ? 220 TRP A CZ3 1 ATOM 1111 C CH2 . TRP A 1 138 ? 13.477 -49.989 -34.264 1.00 9.10 ? 220 TRP A CH2 1 ATOM 1112 N N . ALA A 1 139 ? 12.071 -54.347 -39.604 1.00 9.68 ? 221 ALA A N 1 ATOM 1113 C CA . ALA A 1 139 ? 12.795 -55.426 -40.276 1.00 11.72 ? 221 ALA A CA 1 ATOM 1114 C C . ALA A 1 139 ? 12.101 -56.785 -40.155 1.00 13.52 ? 221 ALA A C 1 ATOM 1115 O O . ALA A 1 139 ? 12.606 -57.789 -40.669 1.00 13.14 ? 221 ALA A O 1 ATOM 1116 C CB . ALA A 1 139 ? 14.243 -55.510 -39.768 1.00 11.38 ? 221 ALA A CB 1 ATOM 1117 N N . ARG A 1 140 ? 10.961 -56.814 -39.464 1.00 9.56 ? 222 ARG A N 1 ATOM 1118 C CA . ARG A 1 140 ? 10.137 -58.028 -39.365 1.00 10.22 ? 222 ARG A CA 1 ATOM 1119 C C . ARG A 1 140 ? 10.909 -59.225 -38.811 1.00 13.76 ? 222 ARG A C 1 ATOM 1120 O O . ARG A 1 140 ? 10.695 -60.371 -39.223 1.00 11.75 ? 222 ARG A O 1 ATOM 1121 C CB . ARG A 1 140 ? 9.518 -58.356 -40.730 1.00 12.29 ? 222 ARG A CB 1 ATOM 1122 C CG . ARG A 1 140 ? 8.457 -57.344 -41.159 1.00 16.50 ? 222 ARG A CG 1 ATOM 1123 C CD . ARG A 1 140 ? 8.409 -57.157 -42.673 1.00 29.40 ? 222 ARG A CD 1 ATOM 1124 N NE . ARG A 1 140 ? 9.459 -56.241 -43.115 1.00 53.95 ? 222 ARG A NE 1 ATOM 1125 C CZ . ARG A 1 140 ? 10.513 -56.593 -43.843 1.00 46.03 ? 222 ARG A CZ 1 ATOM 1126 N NH1 . ARG A 1 140 ? 10.665 -57.852 -44.242 1.00 50.33 ? 222 ARG A NH1 1 ATOM 1127 N NH2 . ARG A 1 140 ? 11.414 -55.679 -44.181 1.00 35.59 ? 222 ARG A NH2 1 ATOM 1128 N N . ASN A 1 141 ? 11.807 -58.953 -37.870 1.00 12.66 ? 223 ASN A N 1 ATOM 1129 C CA . ASN A 1 141 ? 12.585 -60.018 -37.252 1.00 10.93 ? 223 ASN A CA 1 ATOM 1130 C C . ASN A 1 141 ? 12.933 -59.702 -35.797 1.00 11.28 ? 223 ASN A C 1 ATOM 1131 O O . ASN A 1 141 ? 14.063 -59.333 -35.489 1.00 10.59 ? 223 ASN A O 1 ATOM 1132 C CB . ASN A 1 141 ? 13.847 -60.301 -38.082 1.00 12.14 ? 223 ASN A CB 1 ATOM 1133 C CG . ASN A 1 141 ? 14.573 -61.557 -37.643 1.00 17.60 ? 223 ASN A CG 1 ATOM 1134 O OD1 . ASN A 1 141 ? 14.185 -62.212 -36.677 1.00 14.18 ? 223 ASN A OD1 1 ATOM 1135 N ND2 . ASN A 1 141 ? 15.624 -61.917 -38.373 1.00 18.38 ? 223 ASN A ND2 1 ATOM 1136 N N . ILE A 1 142 ? 11.945 -59.851 -34.915 1.00 10.81 ? 224 ILE A N 1 ATOM 1137 C CA . ILE A 1 142 ? 12.130 -59.684 -33.472 1.00 10.01 ? 224 ILE A CA 1 ATOM 1138 C C . ILE A 1 142 ? 12.640 -58.296 -33.080 1.00 9.26 ? 224 ILE A C 1 ATOM 1139 O O . ILE A 1 142 ? 13.751 -58.146 -32.564 1.00 10.02 ? 224 ILE A O 1 ATOM 1140 C CB . ILE A 1 142 ? 13.028 -60.799 -32.863 1.00 9.97 ? 224 ILE A CB 1 ATOM 1141 C CG1 . ILE A 1 142 ? 12.616 -62.173 -33.406 1.00 10.01 ? 224 ILE A CG1 1 ATOM 1142 C CG2 . ILE A 1 142 ? 12.930 -60.799 -31.329 1.00 11.46 ? 224 ILE A CG2 1 ATOM 1143 C CD1 . ILE A 1 142 ? 13.490 -63.332 -32.892 1.00 13.69 ? 224 ILE A CD1 1 ATOM 1144 N N . LEU A 1 143 ? 11.822 -57.279 -33.341 1.00 10.22 ? 225 LEU A N 1 ATOM 1145 C CA . LEU A 1 143 ? 12.075 -55.946 -32.806 1.00 11.55 ? 225 LEU A CA 1 ATOM 1146 C C . LEU A 1 143 ? 12.364 -56.083 -31.312 1.00 10.15 ? 225 LEU A C 1 ATOM 1147 O O . LEU A 1 143 ? 11.629 -56.770 -30.600 1.00 9.57 ? 225 LEU A O 1 ATOM 1148 C CB . LEU A 1 143 ? 10.852 -55.057 -33.038 1.00 8.84 ? 225 LEU A CB 1 ATOM 1149 C CG . LEU A 1 143 ? 10.879 -53.665 -32.407 1.00 8.42 ? 225 LEU A CG 1 ATOM 1150 C CD1 . LEU A 1 143 ? 12.014 -52.840 -32.993 1.00 10.93 ? 225 LEU A CD1 1 ATOM 1151 C CD2 . LEU A 1 143 ? 9.536 -52.963 -32.626 1.00 11.59 ? 225 LEU A CD2 1 ATOM 1152 N N . ARG A 1 144 ? 13.454 -55.471 -30.846 1.00 9.46 ? 226 ARG A N 1 ATOM 1153 C CA . ARG A 1 144 ? 13.923 -55.692 -29.474 1.00 11.55 ? 226 ARG A CA 1 ATOM 1154 C C . ARG A 1 144 ? 14.736 -54.511 -28.944 1.00 10.25 ? 226 ARG A C 1 ATOM 1155 O O . ARG A 1 144 ? 15.260 -53.701 -29.718 1.00 9.57 ? 226 ARG A O 1 ATOM 1156 C CB . ARG A 1 144 ? 14.737 -56.980 -29.403 1.00 7.04 ? 226 ARG A CB 1 ATOM 1157 C CG . ARG A 1 144 ? 15.913 -57.022 -30.384 1.00 9.30 ? 226 ARG A CG 1 ATOM 1158 C CD . ARG A 1 144 ? 16.370 -58.463 -30.602 1.00 11.82 ? 226 ARG A CD 1 ATOM 1159 N NE . ARG A 1 144 ? 17.538 -58.580 -31.485 1.00 11.69 ? 226 ARG A NE 1 ATOM 1160 C CZ . ARG A 1 144 ? 17.479 -58.774 -32.802 1.00 16.32 ? 226 ARG A CZ 1 ATOM 1161 N NH1 . ARG A 1 144 ? 16.307 -58.840 -33.425 1.00 13.39 ? 226 ARG A NH1 1 ATOM 1162 N NH2 . ARG A 1 144 ? 18.603 -58.893 -33.503 1.00 11.72 ? 226 ARG A NH2 1 ATOM 1163 N N . THR A 1 145 ? 14.843 -54.411 -27.620 1.00 10.23 ? 227 THR A N 1 ATOM 1164 C CA . THR A 1 145 ? 15.479 -53.248 -27.019 1.00 8.24 ? 227 THR A CA 1 ATOM 1165 C C . THR A 1 145 ? 16.408 -53.611 -25.849 1.00 7.96 ? 227 THR A C 1 ATOM 1166 O O . THR A 1 145 ? 16.904 -54.735 -25.778 1.00 10.35 ? 227 THR A O 1 ATOM 1167 C CB . THR A 1 145 ? 14.434 -52.158 -26.662 1.00 8.91 ? 227 THR A CB 1 ATOM 1168 O OG1 . THR A 1 145 ? 15.099 -50.946 -26.276 1.00 9.47 ? 227 THR A OG1 1 ATOM 1169 C CG2 . THR A 1 145 ? 13.492 -52.628 -25.544 1.00 8.03 ? 227 THR A CG2 1 ATOM 1170 N N . GLN A 1 146 ? 16.639 -52.669 -24.942 1.00 7.70 ? 228 GLN A N 1 ATOM 1171 C CA . GLN A 1 146 ? 17.795 -52.734 -24.036 1.00 9.38 ? 228 GLN A CA 1 ATOM 1172 C C . GLN A 1 146 ? 17.809 -53.835 -22.961 1.00 8.65 ? 228 GLN A C 1 ATOM 1173 O O . GLN A 1 146 ? 18.862 -54.432 -22.694 1.00 9.49 ? 228 GLN A O 1 ATOM 1174 C CB . GLN A 1 146 ? 18.023 -51.352 -23.399 1.00 7.45 ? 228 GLN A CB 1 ATOM 1175 C CG . GLN A 1 146 ? 18.311 -50.279 -24.457 1.00 9.10 ? 228 GLN A CG 1 ATOM 1176 C CD . GLN A 1 146 ? 18.577 -48.900 -23.902 1.00 12.56 ? 228 GLN A CD 1 ATOM 1177 O OE1 . GLN A 1 146 ? 18.702 -47.938 -24.666 1.00 13.40 ? 228 GLN A OE1 1 ATOM 1178 N NE2 . GLN A 1 146 ? 18.669 -48.785 -22.581 1.00 10.45 ? 228 GLN A NE2 1 ATOM 1179 N N . GLU A 1 147 ? 16.655 -54.091 -22.348 1.00 9.56 ? 229 GLU A N 1 ATOM 1180 C CA . GLU A 1 147 ? 16.542 -54.955 -21.154 1.00 6.95 ? 229 GLU A CA 1 ATOM 1181 C C . GLU A 1 147 ? 17.237 -54.373 -19.916 1.00 8.22 ? 229 GLU A C 1 ATOM 1182 O O . GLU A 1 147 ? 17.527 -55.094 -18.964 1.00 8.90 ? 229 GLU A O 1 ATOM 1183 C CB . GLU A 1 147 ? 16.981 -56.427 -21.391 1.00 8.70 ? 229 GLU A CB 1 ATOM 1184 C CG . GLU A 1 147 ? 16.698 -57.025 -22.786 1.00 11.02 ? 229 GLU A CG 1 ATOM 1185 C CD . GLU A 1 147 ? 15.217 -57.099 -23.152 1.00 14.58 ? 229 GLU A CD 1 ATOM 1186 O OE1 . GLU A 1 147 ? 14.354 -56.681 -22.350 1.00 11.52 ? 229 GLU A OE1 1 ATOM 1187 O OE2 . GLU A 1 147 ? 14.913 -57.577 -24.268 1.00 13.97 ? 229 GLU A OE2 1 ATOM 1188 N N . SER A 1 148 ? 17.506 -53.070 -19.939 1.00 8.60 ? 230 SER A N 1 ATOM 1189 C CA . SER A 1 148 ? 17.876 -52.330 -18.734 1.00 8.19 ? 230 SER A CA 1 ATOM 1190 C C . SER A 1 148 ? 17.463 -50.877 -18.920 1.00 10.28 ? 230 SER A C 1 ATOM 1191 O O . SER A 1 148 ? 16.894 -50.519 -19.956 1.00 11.62 ? 230 SER A O 1 ATOM 1192 C CB . SER A 1 148 ? 19.364 -52.466 -18.383 1.00 7.07 ? 230 SER A CB 1 ATOM 1193 O OG . SER A 1 148 ? 20.195 -51.909 -19.391 1.00 9.38 ? 230 SER A OG 1 ATOM 1194 N N . GLU A 1 149 ? 17.730 -50.036 -17.930 1.00 6.91 ? 231 GLU A N 1 ATOM 1195 C CA . GLU A 1 149 ? 17.163 -48.692 -17.958 1.00 9.68 ? 231 GLU A CA 1 ATOM 1196 C C . GLU A 1 149 ? 17.745 -47.810 -19.058 1.00 10.82 ? 231 GLU A C 1 ATOM 1197 O O . GLU A 1 149 ? 18.912 -47.951 -19.449 1.00 10.09 ? 231 GLU A O 1 ATOM 1198 C CB . GLU A 1 149 ? 17.272 -47.999 -16.591 1.00 8.01 ? 231 GLU A CB 1 ATOM 1199 C CG . GLU A 1 149 ? 18.637 -47.377 -16.280 1.00 10.03 ? 231 GLU A CG 1 ATOM 1200 C CD . GLU A 1 149 ? 18.586 -46.440 -15.079 1.00 12.99 ? 231 GLU A CD 1 ATOM 1201 O OE1 . GLU A 1 149 ? 17.528 -46.386 -14.410 1.00 10.20 ? 231 GLU A OE1 1 ATOM 1202 O OE2 . GLU A 1 149 ? 19.601 -45.756 -14.797 1.00 9.70 ? 231 GLU A OE2 1 ATOM 1203 N N . CYS A 1 150 ? 16.904 -46.919 -19.569 1.00 8.58 ? 232 CYS A N 1 ATOM 1204 C CA . CYS A 1 150 ? 17.365 -45.836 -20.425 1.00 10.92 ? 232 CYS A CA 1 ATOM 1205 C C . CYS A 1 150 ? 17.772 -44.664 -19.530 1.00 12.52 ? 232 CYS A C 1 ATOM 1206 O O . CYS A 1 150 ? 17.749 -44.777 -18.302 1.00 11.11 ? 232 CYS A O 1 ATOM 1207 C CB . CYS A 1 150 ? 16.277 -45.440 -21.436 1.00 11.60 ? 232 CYS A CB 1 ATOM 1208 S SG . CYS A 1 150 ? 14.561 -45.445 -20.798 1.00 12.11 ? 232 CYS A SG 1 ATOM 1209 N N . VAL A 1 151 ? 18.193 -43.558 -20.135 1.00 11.97 ? 233 VAL A N 1 ATOM 1210 C CA . VAL A 1 151 ? 18.679 -42.406 -19.377 1.00 8.34 ? 233 VAL A CA 1 ATOM 1211 C C . VAL A 1 151 ? 18.154 -41.138 -20.030 1.00 11.61 ? 233 VAL A C 1 ATOM 1212 O O . VAL A 1 151 ? 18.053 -41.079 -21.247 1.00 12.26 ? 233 VAL A O 1 ATOM 1213 C CB . VAL A 1 151 ? 20.230 -42.333 -19.368 1.00 12.65 ? 233 VAL A CB 1 ATOM 1214 C CG1 . VAL A 1 151 ? 20.701 -41.238 -18.422 1.00 14.26 ? 233 VAL A CG1 1 ATOM 1215 C CG2 . VAL A 1 151 ? 20.833 -43.647 -18.938 1.00 16.73 ? 233 VAL A CG2 1 ATOM 1216 N N . CYS A 1 152 ? 17.829 -40.124 -19.231 1.00 8.31 ? 234 CYS A N 1 ATOM 1217 C CA . CYS A 1 152 ? 17.234 -38.902 -19.765 1.00 8.48 ? 234 CYS A CA 1 ATOM 1218 C C . CYS A 1 152 ? 18.059 -37.656 -19.463 1.00 12.22 ? 234 CYS A C 1 ATOM 1219 O O . CYS A 1 152 ? 18.720 -37.573 -18.422 1.00 11.65 ? 234 CYS A O 1 ATOM 1220 C CB . CYS A 1 152 ? 15.827 -38.710 -19.192 1.00 11.10 ? 234 CYS A CB 1 ATOM 1221 S SG . CYS A 1 152 ? 14.730 -40.116 -19.461 1.00 11.71 ? 234 CYS A SG 1 ATOM 1222 N N . HIS A 1 153 ? 18.012 -36.687 -20.376 1.00 10.50 ? 235 HIS A N 1 ATOM 1223 C CA . HIS A 1 153 ? 18.592 -35.363 -20.118 1.00 12.09 ? 235 HIS A CA 1 ATOM 1224 C C . HIS A 1 153 ? 17.657 -34.253 -20.602 1.00 10.61 ? 235 HIS A C 1 ATOM 1225 O O . HIS A 1 153 ? 17.293 -34.215 -21.776 1.00 11.12 ? 235 HIS A O 1 ATOM 1226 C CB . HIS A 1 153 ? 19.959 -35.195 -20.793 1.00 9.98 ? 235 HIS A CB 1 ATOM 1227 C CG . HIS A 1 153 ? 20.541 -33.824 -20.617 1.00 13.53 ? 235 HIS A CG 1 ATOM 1228 N ND1 . HIS A 1 153 ? 21.133 -33.413 -19.441 1.00 15.76 ? 235 HIS A ND1 1 ATOM 1229 C CD2 . HIS A 1 153 ? 20.594 -32.762 -21.454 1.00 13.23 ? 235 HIS A CD2 1 ATOM 1230 C CE1 . HIS A 1 153 ? 21.537 -32.161 -19.567 1.00 17.14 ? 235 HIS A CE1 1 ATOM 1231 N NE2 . HIS A 1 153 ? 21.220 -31.742 -20.779 1.00 15.73 ? 235 HIS A NE2 1 ATOM 1232 N N . ASN A 1 154 ? 17.281 -33.357 -19.689 1.00 10.25 ? 236 ASN A N 1 ATOM 1233 C CA . ASN A 1 154 ? 16.338 -32.273 -19.993 1.00 12.83 ? 236 ASN A CA 1 ATOM 1234 C C . ASN A 1 154 ? 15.105 -32.768 -20.747 1.00 14.00 ? 236 ASN A C 1 ATOM 1235 O O . ASN A 1 154 ? 14.651 -32.148 -21.717 1.00 12.25 ? 236 ASN A O 1 ATOM 1236 C CB . ASN A 1 154 ? 17.030 -31.143 -20.766 1.00 14.43 ? 236 ASN A CB 1 ATOM 1237 C CG . ASN A 1 154 ? 16.190 -29.886 -20.833 1.00 21.81 ? 236 ASN A CG 1 ATOM 1238 O OD1 . ASN A 1 154 ? 15.377 -29.621 -19.943 1.00 17.33 ? 236 ASN A OD1 1 ATOM 1239 N ND2 . ASN A 1 154 ? 16.365 -29.115 -21.900 1.00 21.59 ? 236 ASN A ND2 1 ATOM 1240 N N . GLY A 1 155 ? 14.585 -33.911 -20.310 1.00 13.43 ? 237 GLY A N 1 ATOM 1241 C CA . GLY A 1 155 ? 13.381 -34.471 -20.893 1.00 15.23 ? 237 GLY A CA 1 ATOM 1242 C C . GLY A 1 155 ? 13.598 -35.409 -22.068 1.00 14.43 ? 237 GLY A C 1 ATOM 1243 O O . GLY A 1 155 ? 12.672 -36.126 -22.456 1.00 13.50 ? 237 GLY A O 1 ATOM 1244 N N . VAL A 1 156 ? 14.796 -35.398 -22.650 1.00 10.82 ? 238 VAL A N 1 ATOM 1245 C CA . VAL A 1 156 ? 15.078 -36.257 -23.800 1.00 9.80 ? 238 VAL A CA 1 ATOM 1246 C C . VAL A 1 156 ? 15.668 -37.588 -23.348 1.00 12.07 ? 238 VAL A C 1 ATOM 1247 O O . VAL A 1 156 ? 16.709 -37.612 -22.695 1.00 11.47 ? 238 VAL A O 1 ATOM 1248 C CB . VAL A 1 156 ? 16.059 -35.590 -24.793 1.00 13.50 ? 238 VAL A CB 1 ATOM 1249 C CG1 . VAL A 1 156 ? 16.358 -36.536 -25.948 1.00 10.94 ? 238 VAL A CG1 1 ATOM 1250 C CG2 . VAL A 1 156 ? 15.478 -34.286 -25.309 1.00 13.66 ? 238 VAL A CG2 1 ATOM 1251 N N . CYS A 1 157 ? 15.005 -38.686 -23.712 1.00 9.18 ? 239 CYS A N 1 ATOM 1252 C CA . CYS A 1 157 ? 15.415 -40.029 -23.294 1.00 12.22 ? 239 CYS A CA 1 ATOM 1253 C C . CYS A 1 157 ? 15.728 -40.902 -24.506 1.00 9.68 ? 239 CYS A C 1 ATOM 1254 O O . CYS A 1 157 ? 14.814 -41.397 -25.173 1.00 12.24 ? 239 CYS A O 1 ATOM 1255 C CB . CYS A 1 157 ? 14.299 -40.701 -22.486 1.00 11.84 ? 239 CYS A CB 1 ATOM 1256 S SG . CYS A 1 157 ? 13.611 -39.717 -21.120 1.00 11.62 ? 239 CYS A SG 1 ATOM 1257 N N . PRO A 1 158 ? 17.020 -41.103 -24.802 1.00 10.17 ? 240 PRO A N 1 ATOM 1258 C CA . PRO A 1 158 ? 17.375 -41.957 -25.940 1.00 9.74 ? 240 PRO A CA 1 ATOM 1259 C C . PRO A 1 158 ? 17.205 -43.436 -25.602 1.00 9.44 ? 240 PRO A C 1 ATOM 1260 O O . PRO A 1 158 ? 17.427 -43.850 -24.457 1.00 9.58 ? 240 PRO A O 1 ATOM 1261 C CB . PRO A 1 158 ? 18.860 -41.651 -26.167 1.00 12.08 ? 240 PRO A CB 1 ATOM 1262 C CG . PRO A 1 158 ? 19.112 -40.353 -25.441 1.00 13.81 ? 240 PRO A CG 1 ATOM 1263 C CD . PRO A 1 158 ? 18.195 -40.408 -24.255 1.00 11.73 ? 240 PRO A CD 1 ATOM 1264 N N . VAL A 1 159 ? 16.810 -44.222 -26.596 1.00 8.31 ? 241 VAL A N 1 ATOM 1265 C CA . VAL A 1 159 ? 16.667 -45.670 -26.431 1.00 8.19 ? 241 VAL A CA 1 ATOM 1266 C C . VAL A 1 159 ? 17.232 -46.371 -27.658 1.00 10.41 ? 241 VAL A C 1 ATOM 1267 O O . VAL A 1 159 ? 16.959 -45.955 -28.787 1.00 10.06 ? 241 VAL A O 1 ATOM 1268 C CB . VAL A 1 159 ? 15.187 -46.073 -26.269 1.00 8.91 ? 241 VAL A CB 1 ATOM 1269 C CG1 . VAL A 1 159 ? 15.054 -47.600 -26.179 1.00 8.67 ? 241 VAL A CG1 1 ATOM 1270 C CG2 . VAL A 1 159 ? 14.576 -45.401 -25.043 1.00 8.40 ? 241 VAL A CG2 1 ATOM 1271 N N . VAL A 1 160 ? 18.010 -47.435 -27.451 1.00 7.03 ? 242 VAL A N 1 ATOM 1272 C CA . VAL A 1 160 ? 18.537 -48.209 -28.580 1.00 10.05 ? 242 VAL A CA 1 ATOM 1273 C C . VAL A 1 160 ? 17.673 -49.441 -28.894 1.00 13.55 ? 242 VAL A C 1 ATOM 1274 O O . VAL A 1 160 ? 17.369 -50.230 -27.998 1.00 9.79 ? 242 VAL A O 1 ATOM 1275 C CB . VAL A 1 160 ? 20.003 -48.650 -28.339 1.00 6.24 ? 242 VAL A CB 1 ATOM 1276 C CG1 . VAL A 1 160 ? 20.557 -49.360 -29.574 1.00 8.64 ? 242 VAL A CG1 1 ATOM 1277 C CG2 . VAL A 1 160 ? 20.868 -47.440 -27.988 1.00 10.84 ? 242 VAL A CG2 1 ATOM 1278 N N . PHE A 1 161 ? 17.277 -49.592 -30.160 1.00 8.09 ? 243 PHE A N 1 ATOM 1279 C CA . PHE A 1 161 ? 16.482 -50.736 -30.615 1.00 9.04 ? 243 PHE A CA 1 ATOM 1280 C C . PHE A 1 161 ? 17.252 -51.483 -31.695 1.00 13.30 ? 243 PHE A C 1 ATOM 1281 O O . PHE A 1 161 ? 18.041 -50.881 -32.430 1.00 14.56 ? 243 PHE A O 1 ATOM 1282 C CB . PHE A 1 161 ? 15.181 -50.278 -31.285 1.00 9.25 ? 243 PHE A CB 1 ATOM 1283 C CG . PHE A 1 161 ? 14.176 -49.652 -30.360 1.00 10.96 ? 243 PHE A CG 1 ATOM 1284 C CD1 . PHE A 1 161 ? 14.259 -48.304 -30.034 1.00 11.42 ? 243 PHE A CD1 1 ATOM 1285 C CD2 . PHE A 1 161 ? 13.110 -50.396 -29.867 1.00 9.95 ? 243 PHE A CD2 1 ATOM 1286 C CE1 . PHE A 1 161 ? 13.315 -47.710 -29.205 1.00 11.24 ? 243 PHE A CE1 1 ATOM 1287 C CE2 . PHE A 1 161 ? 12.158 -49.810 -29.035 1.00 9.59 ? 243 PHE A CE2 1 ATOM 1288 C CZ . PHE A 1 161 ? 12.259 -48.466 -28.706 1.00 12.53 ? 243 PHE A CZ 1 ATOM 1289 N N . THR A 1 162 ? 16.985 -52.779 -31.829 1.00 9.55 ? 244 THR A N 1 ATOM 1290 C CA . THR A 1 162 ? 17.488 -53.546 -32.969 1.00 8.94 ? 244 THR A CA 1 ATOM 1291 C C . THR A 1 162 ? 16.345 -54.364 -33.570 1.00 12.04 ? 244 THR A C 1 ATOM 1292 O O . THR A 1 162 ? 15.472 -54.845 -32.849 1.00 9.97 ? 244 THR A O 1 ATOM 1293 C CB . THR A 1 162 ? 18.664 -54.466 -32.555 1.00 9.51 ? 244 THR A CB 1 ATOM 1294 O OG1 . THR A 1 162 ? 19.748 -53.663 -32.069 1.00 10.06 ? 244 THR A OG1 1 ATOM 1295 C CG2 . THR A 1 162 ? 19.155 -55.304 -33.735 1.00 11.81 ? 244 THR A CG2 1 ATOM 1296 N N . ASP A 1 163 ? 16.339 -54.502 -34.892 1.00 9.99 ? 245 ASP A N 1 ATOM 1297 C CA . ASP A 1 163 ? 15.354 -55.338 -35.569 1.00 11.03 ? 245 ASP A CA 1 ATOM 1298 C C . ASP A 1 163 ? 16.117 -56.007 -36.708 1.00 10.79 ? 245 ASP A C 1 ATOM 1299 O O . ASP A 1 163 ? 16.859 -55.343 -37.428 1.00 11.91 ? 245 ASP A O 1 ATOM 1300 C CB . ASP A 1 163 ? 14.215 -54.461 -36.110 1.00 10.61 ? 245 ASP A CB 1 ATOM 1301 C CG . ASP A 1 163 ? 12.952 -55.252 -36.450 1.00 11.66 ? 245 ASP A CG 1 ATOM 1302 O OD1 . ASP A 1 163 ? 13.002 -56.497 -36.549 1.00 10.22 ? 245 ASP A OD1 1 ATOM 1303 O OD2 . ASP A 1 163 ? 11.894 -54.613 -36.636 1.00 13.07 ? 245 ASP A OD2 1 ATOM 1304 N N . GLY A 1 164 ? 15.974 -57.321 -36.845 1.00 9.84 ? 246 GLY A N 1 ATOM 1305 C CA . GLY A 1 164 ? 16.714 -58.056 -37.853 1.00 12.67 ? 246 GLY A CA 1 ATOM 1306 C C . GLY A 1 164 ? 17.483 -59.221 -37.272 1.00 15.70 ? 246 GLY A C 1 ATOM 1307 O O . GLY A 1 164 ? 17.245 -59.625 -36.132 1.00 12.83 ? 246 GLY A O 1 ATOM 1308 N N . SER A 1 165 ? 18.408 -59.762 -38.060 1.00 12.50 ? 247 SER A N 1 ATOM 1309 C CA . SER A 1 165 ? 19.136 -60.971 -37.682 1.00 10.80 ? 247 SER A CA 1 ATOM 1310 C C . SER A 1 165 ? 19.918 -60.820 -36.383 1.00 12.37 ? 247 SER A C 1 ATOM 1311 O O . SER A 1 165 ? 20.452 -59.753 -36.087 1.00 12.38 ? 247 SER A O 1 ATOM 1312 C CB . SER A 1 165 ? 20.090 -61.390 -38.810 1.00 17.00 ? 247 SER A CB 1 ATOM 1313 O OG . SER A 1 165 ? 20.789 -62.575 -38.471 1.00 15.61 ? 247 SER A OG 1 ATOM 1314 N N . ALA A 1 166 ? 19.985 -61.899 -35.612 1.00 12.17 ? 248 ALA A N 1 ATOM 1315 C CA . ALA A 1 166 ? 20.834 -61.931 -34.428 1.00 12.51 ? 248 ALA A CA 1 ATOM 1316 C C . ALA A 1 166 ? 22.220 -62.466 -34.772 1.00 15.14 ? 248 ALA A C 1 ATOM 1317 O O . ALA A 1 166 ? 23.120 -62.460 -33.933 1.00 18.00 ? 248 ALA A O 1 ATOM 1318 C CB . ALA A 1 166 ? 20.199 -62.782 -33.347 1.00 18.71 ? 248 ALA A CB 1 ATOM 1319 N N . THR A 1 167 ? 22.382 -62.935 -36.008 1.00 14.29 ? 249 THR A N 1 ATOM 1320 C CA . THR A 1 167 ? 23.610 -63.616 -36.419 1.00 19.08 ? 249 THR A CA 1 ATOM 1321 C C . THR A 1 167 ? 24.193 -63.052 -37.717 1.00 20.12 ? 249 THR A C 1 ATOM 1322 O O . THR A 1 167 ? 24.760 -63.793 -38.530 1.00 21.03 ? 249 THR A O 1 ATOM 1323 C CB . THR A 1 167 ? 23.360 -65.118 -36.614 1.00 17.73 ? 249 THR A CB 1 ATOM 1324 O OG1 . THR A 1 167 ? 22.331 -65.306 -37.594 1.00 22.78 ? 249 THR A OG1 1 ATOM 1325 C CG2 . THR A 1 167 ? 22.919 -65.752 -35.310 1.00 21.36 ? 249 THR A CG2 1 ATOM 1326 N N . GLY A 1 168 ? 24.049 -61.744 -37.898 1.00 14.00 ? 250 GLY A N 1 ATOM 1327 C CA . GLY A 1 168 ? 24.538 -61.052 -39.078 1.00 15.79 ? 250 GLY A CA 1 ATOM 1328 C C . GLY A 1 168 ? 24.148 -59.593 -38.964 1.00 18.18 ? 250 GLY A C 1 ATOM 1329 O O . GLY A 1 168 ? 23.693 -59.162 -37.906 1.00 16.26 ? 250 GLY A O 1 ATOM 1330 N N . PRO A 1 169 ? 24.323 -58.820 -40.046 1.00 15.51 ? 251 PRO A N 1 ATOM 1331 C CA . PRO A 1 169 ? 23.950 -57.403 -40.033 1.00 17.69 ? 251 PRO A CA 1 ATOM 1332 C C . PRO A 1 169 ? 22.469 -57.237 -39.718 1.00 16.12 ? 251 PRO A C 1 ATOM 1333 O O . PRO A 1 169 ? 21.648 -57.991 -40.246 1.00 17.35 ? 251 PRO A O 1 ATOM 1334 C CB . PRO A 1 169 ? 24.236 -56.956 -41.472 1.00 19.48 ? 251 PRO A CB 1 ATOM 1335 C CG . PRO A 1 169 ? 25.294 -57.918 -41.952 1.00 17.27 ? 251 PRO A CG 1 ATOM 1336 C CD . PRO A 1 169 ? 24.917 -59.227 -41.332 1.00 19.08 ? 251 PRO A CD 1 ATOM 1337 N N . ALA A 1 170 ? 22.144 -56.268 -38.865 1.00 15.25 ? 252 ALA A N 1 ATOM 1338 C CA . ALA A 1 170 ? 20.761 -55.999 -38.485 1.00 17.11 ? 252 ALA A CA 1 ATOM 1339 C C . ALA A 1 170 ? 20.504 -54.500 -38.552 1.00 17.95 ? 252 ALA A C 1 ATOM 1340 O O . ALA A 1 170 ? 21.428 -53.717 -38.794 1.00 15.67 ? 252 ALA A O 1 ATOM 1341 C CB . ALA A 1 170 ? 20.485 -56.529 -37.084 1.00 11.85 ? 252 ALA A CB 1 ATOM 1342 N N . ASP A 1 171 ? 19.255 -54.100 -38.333 1.00 12.31 ? 253 ASP A N 1 ATOM 1343 C CA . ASP A 1 171 ? 18.890 -52.693 -38.420 1.00 11.28 ? 253 ASP A CA 1 ATOM 1344 C C . ASP A 1 171 ? 18.709 -52.098 -37.031 1.00 13.84 ? 253 ASP A C 1 ATOM 1345 O O . ASP A 1 171 ? 17.654 -52.254 -36.401 1.00 10.85 ? 253 ASP A O 1 ATOM 1346 C CB . ASP A 1 171 ? 17.607 -52.517 -39.243 1.00 13.28 ? 253 ASP A CB 1 ATOM 1347 C CG . ASP A 1 171 ? 17.760 -53.003 -40.673 1.00 25.98 ? 253 ASP A CG 1 ATOM 1348 O OD1 . ASP A 1 171 ? 18.859 -52.834 -41.241 1.00 22.06 ? 253 ASP A OD1 1 ATOM 1349 O OD2 . ASP A 1 171 ? 16.782 -53.554 -41.226 1.00 27.40 ? 253 ASP A OD2 1 ATOM 1350 N N . THR A 1 172 ? 19.748 -51.421 -36.556 1.00 10.06 ? 254 THR A N 1 ATOM 1351 C CA . THR A 1 172 ? 19.712 -50.802 -35.240 1.00 10.03 ? 254 THR A CA 1 ATOM 1352 C C . THR A 1 172 ? 19.323 -49.338 -35.378 1.00 12.31 ? 254 THR A C 1 ATOM 1353 O O . THR A 1 172 ? 19.768 -48.655 -36.303 1.00 11.28 ? 254 THR A O 1 ATOM 1354 C CB . THR A 1 172 ? 21.058 -50.969 -34.519 1.00 11.04 ? 254 THR A CB 1 ATOM 1355 O OG1 . THR A 1 172 ? 21.219 -52.349 -34.169 1.00 11.35 ? 254 THR A OG1 1 ATOM 1356 C CG2 . THR A 1 172 ? 21.114 -50.118 -33.239 1.00 10.57 ? 254 THR A CG2 1 ATOM 1357 N N . ARG A 1 173 ? 18.455 -48.875 -34.481 1.00 11.15 ? 255 ARG A N 1 ATOM 1358 C CA . ARG A 1 173 ? 18.027 -47.484 -34.471 1.00 11.94 ? 255 ARG A CA 1 ATOM 1359 C C . ARG A 1 173 ? 18.165 -46.891 -33.078 1.00 11.82 ? 255 ARG A C 1 ATOM 1360 O O . ARG A 1 173 ? 17.946 -47.578 -32.074 1.00 13.01 ? 255 ARG A O 1 ATOM 1361 C CB . ARG A 1 173 ? 16.562 -47.369 -34.909 1.00 11.28 ? 255 ARG A CB 1 ATOM 1362 C CG . ARG A 1 173 ? 16.307 -47.678 -36.371 1.00 12.56 ? 255 ARG A CG 1 ATOM 1363 C CD . ARG A 1 173 ? 14.829 -47.529 -36.702 1.00 10.50 ? 255 ARG A CD 1 ATOM 1364 N NE . ARG A 1 173 ? 14.557 -47.791 -38.114 1.00 11.49 ? 255 ARG A NE 1 ATOM 1365 C CZ . ARG A 1 173 ? 13.376 -47.599 -38.691 1.00 12.50 ? 255 ARG A CZ 1 ATOM 1366 N NH1 . ARG A 1 173 ? 12.353 -47.153 -37.978 1.00 13.01 ? 255 ARG A NH1 1 ATOM 1367 N NH2 . ARG A 1 173 ? 13.218 -47.855 -39.982 1.00 15.48 ? 255 ARG A NH2 1 ATOM 1368 N N . ILE A 1 174 ? 18.517 -45.610 -33.018 1.00 10.62 ? 256 ILE A N 1 ATOM 1369 C CA . ILE A 1 174 ? 18.476 -44.875 -31.761 1.00 11.22 ? 256 ILE A CA 1 ATOM 1370 C C . ILE A 1 174 ? 17.283 -43.922 -31.819 1.00 16.50 ? 256 ILE A C 1 ATOM 1371 O O . ILE A 1 174 ? 17.195 -43.079 -32.721 1.00 11.60 ? 256 ILE A O 1 ATOM 1372 C CB . ILE A 1 174 ? 19.776 -44.075 -31.498 1.00 13.95 ? 256 ILE A CB 1 ATOM 1373 C CG1 . ILE A 1 174 ? 20.971 -45.012 -31.292 1.00 13.91 ? 256 ILE A CG1 1 ATOM 1374 C CG2 . ILE A 1 174 ? 19.622 -43.202 -30.271 1.00 12.30 ? 256 ILE A CG2 1 ATOM 1375 C CD1 . ILE A 1 174 ? 21.628 -45.484 -32.568 1.00 22.32 ? 256 ILE A CD1 1 ATOM 1376 N N . TYR A 1 175 ? 16.357 -44.077 -30.874 1.00 10.81 ? 257 TYR A N 1 ATOM 1377 C CA . TYR A 1 175 ? 15.170 -43.235 -30.800 1.00 10.62 ? 257 TYR A CA 1 ATOM 1378 C C . TYR A 1 175 ? 15.340 -42.218 -29.695 1.00 13.20 ? 257 TYR A C 1 ATOM 1379 O O . TYR A 1 175 ? 15.948 -42.506 -28.667 1.00 13.16 ? 257 TYR A O 1 ATOM 1380 C CB . TYR A 1 175 ? 13.924 -44.083 -30.521 1.00 10.42 ? 257 TYR A CB 1 ATOM 1381 C CG . TYR A 1 175 ? 13.272 -44.620 -31.768 1.00 12.02 ? 257 TYR A CG 1 ATOM 1382 C CD1 . TYR A 1 175 ? 13.797 -45.723 -32.430 1.00 14.16 ? 257 TYR A CD1 1 ATOM 1383 C CD2 . TYR A 1 175 ? 12.129 -44.025 -32.281 1.00 12.63 ? 257 TYR A CD2 1 ATOM 1384 C CE1 . TYR A 1 175 ? 13.202 -46.219 -33.570 1.00 12.40 ? 257 TYR A CE1 1 ATOM 1385 C CE2 . TYR A 1 175 ? 11.530 -44.507 -33.422 1.00 13.56 ? 257 TYR A CE2 1 ATOM 1386 C CZ . TYR A 1 175 ? 12.073 -45.597 -34.065 1.00 11.86 ? 257 TYR A CZ 1 ATOM 1387 O OH . TYR A 1 175 ? 11.476 -46.083 -35.204 1.00 13.41 ? 257 TYR A OH 1 ATOM 1388 N N . TYR A 1 176 ? 14.803 -41.024 -29.912 1.00 9.52 ? 258 TYR A N 1 ATOM 1389 C CA . TYR A 1 176 ? 14.873 -39.969 -28.920 1.00 9.53 ? 258 TYR A CA 1 ATOM 1390 C C . TYR A 1 176 ? 13.451 -39.609 -28.543 1.00 13.28 ? 258 TYR A C 1 ATOM 1391 O O . TYR A 1 176 ? 12.691 -39.123 -29.387 1.00 12.43 ? 258 TYR A O 1 ATOM 1392 C CB . TYR A 1 176 ? 15.599 -38.756 -29.501 1.00 12.46 ? 258 TYR A CB 1 ATOM 1393 C CG . TYR A 1 176 ? 17.025 -39.055 -29.893 1.00 10.09 ? 258 TYR A CG 1 ATOM 1394 C CD1 . TYR A 1 176 ? 17.328 -39.563 -31.147 1.00 13.18 ? 258 TYR A CD1 1 ATOM 1395 C CD2 . TYR A 1 176 ? 18.065 -38.850 -28.998 1.00 9.72 ? 258 TYR A CD2 1 ATOM 1396 C CE1 . TYR A 1 176 ? 18.625 -39.849 -31.503 1.00 12.33 ? 258 TYR A CE1 1 ATOM 1397 C CE2 . TYR A 1 176 ? 19.372 -39.133 -29.347 1.00 12.84 ? 258 TYR A CE2 1 ATOM 1398 C CZ . TYR A 1 176 ? 19.645 -39.627 -30.602 1.00 14.17 ? 258 TYR A CZ 1 ATOM 1399 O OH . TYR A 1 176 ? 20.946 -39.916 -30.967 1.00 13.59 ? 258 TYR A OH 1 ATOM 1400 N N . PHE A 1 177 ? 13.088 -39.873 -27.288 1.00 11.28 ? 259 PHE A N 1 ATOM 1401 C CA . PHE A 1 177 ? 11.728 -39.639 -26.808 1.00 10.53 ? 259 PHE A CA 1 ATOM 1402 C C . PHE A 1 177 ? 11.660 -38.452 -25.860 1.00 10.92 ? 259 PHE A C 1 ATOM 1403 O O . PHE A 1 177 ? 12.616 -38.172 -25.136 1.00 12.82 ? 259 PHE A O 1 ATOM 1404 C CB . PHE A 1 177 ? 11.188 -40.875 -26.068 1.00 10.80 ? 259 PHE A CB 1 ATOM 1405 C CG . PHE A 1 177 ? 11.130 -42.126 -26.913 1.00 11.49 ? 259 PHE A CG 1 ATOM 1406 C CD1 . PHE A 1 177 ? 10.056 -42.359 -27.763 1.00 11.95 ? 259 PHE A CD1 1 ATOM 1407 C CD2 . PHE A 1 177 ? 12.139 -43.077 -26.836 1.00 10.82 ? 259 PHE A CD2 1 ATOM 1408 C CE1 . PHE A 1 177 ? 9.995 -43.517 -28.534 1.00 10.43 ? 259 PHE A CE1 1 ATOM 1409 C CE2 . PHE A 1 177 ? 12.084 -44.231 -27.591 1.00 10.04 ? 259 PHE A CE2 1 ATOM 1410 C CZ . PHE A 1 177 ? 11.014 -44.457 -28.442 1.00 9.85 ? 259 PHE A CZ 1 ATOM 1411 N N . LYS A 1 178 ? 10.526 -37.759 -25.855 1.00 9.81 ? 260 LYS A N 1 ATOM 1412 C CA . LYS A 1 178 ? 10.249 -36.786 -24.801 1.00 8.44 ? 260 LYS A CA 1 ATOM 1413 C C . LYS A 1 178 ? 8.778 -36.841 -24.435 1.00 13.71 ? 260 LYS A C 1 ATOM 1414 O O . LYS A 1 178 ? 7.909 -36.667 -25.300 1.00 11.89 ? 260 LYS A O 1 ATOM 1415 C CB . LYS A 1 178 ? 10.648 -35.365 -25.214 1.00 10.91 ? 260 LYS A CB 1 ATOM 1416 C CG . LYS A 1 178 ? 10.382 -34.343 -24.115 1.00 12.82 ? 260 LYS A CG 1 ATOM 1417 C CD . LYS A 1 178 ? 11.058 -33.004 -24.392 1.00 15.70 ? 260 LYS A CD 1 ATOM 1418 C CE . LYS A 1 178 ? 10.584 -31.957 -23.395 1.00 22.22 ? 260 LYS A CE 1 ATOM 1419 N NZ . LYS A 1 178 ? 11.031 -30.586 -23.764 1.00 32.72 ? 260 LYS A NZ 1 ATOM 1420 N N . GLU A 1 179 ? 8.513 -37.096 -23.154 1.00 12.58 ? 261 GLU A N 1 ATOM 1421 C CA . GLU A 1 179 ? 7.158 -37.324 -22.663 1.00 11.52 ? 261 GLU A CA 1 ATOM 1422 C C . GLU A 1 179 ? 6.465 -38.419 -23.475 1.00 12.92 ? 261 GLU A C 1 ATOM 1423 O O . GLU A 1 179 ? 5.259 -38.363 -23.721 1.00 12.45 ? 261 GLU A O 1 ATOM 1424 C CB . GLU A 1 179 ? 6.358 -36.014 -22.647 1.00 12.91 ? 261 GLU A CB 1 ATOM 1425 C CG . GLU A 1 179 ? 6.931 -34.999 -21.653 1.00 11.10 ? 261 GLU A CG 1 ATOM 1426 C CD . GLU A 1 179 ? 6.181 -33.684 -21.639 1.00 30.55 ? 261 GLU A CD 1 ATOM 1427 O OE1 . GLU A 1 179 ? 6.001 -33.086 -22.721 1.00 35.35 ? 261 GLU A OE1 1 ATOM 1428 O OE2 . GLU A 1 179 ? 5.777 -33.248 -20.543 1.00 39.03 ? 261 GLU A OE2 1 ATOM 1429 N N . GLY A 1 180 ? 7.252 -39.407 -23.896 1.00 9.74 ? 262 GLY A N 1 ATOM 1430 C CA . GLY A 1 180 ? 6.743 -40.543 -24.645 1.00 13.81 ? 262 GLY A CA 1 ATOM 1431 C C . GLY A 1 180 ? 6.626 -40.322 -26.142 1.00 15.07 ? 262 GLY A C 1 ATOM 1432 O O . GLY A 1 180 ? 6.375 -41.269 -26.889 1.00 13.55 ? 262 GLY A O 1 ATOM 1433 N N . LYS A 1 181 ? 6.787 -39.075 -26.581 1.00 11.00 ? 263 LYS A N 1 ATOM 1434 C CA . LYS A 1 181 ? 6.684 -38.759 -28.006 1.00 13.77 ? 263 LYS A CA 1 ATOM 1435 C C . LYS A 1 181 ? 8.010 -38.970 -28.703 1.00 14.89 ? 263 LYS A C 1 ATOM 1436 O O . LYS A 1 181 ? 9.064 -38.736 -28.119 1.00 15.02 ? 263 LYS A O 1 ATOM 1437 C CB . LYS A 1 181 ? 6.295 -37.300 -28.209 1.00 16.00 ? 263 LYS A CB 1 ATOM 1438 C CG . LYS A 1 181 ? 5.236 -36.813 -27.260 1.00 33.06 ? 263 LYS A CG 1 ATOM 1439 C CD . LYS A 1 181 ? 3.924 -37.512 -27.514 1.00 36.75 ? 263 LYS A CD 1 ATOM 1440 C CE . LYS A 1 181 ? 2.918 -36.556 -28.107 1.00 47.32 ? 263 LYS A CE 1 ATOM 1441 N NZ . LYS A 1 181 ? 3.079 -35.211 -27.492 1.00 57.03 ? 263 LYS A NZ 1 ATOM 1442 N N . ILE A 1 182 ? 7.949 -39.376 -29.966 1.00 11.87 ? 264 ILE A N 1 ATOM 1443 C CA . ILE A 1 182 ? 9.153 -39.560 -30.768 1.00 11.14 ? 264 ILE A CA 1 ATOM 1444 C C . ILE A 1 182 ? 9.622 -38.211 -31.314 1.00 13.49 ? 264 ILE A C 1 ATOM 1445 O O . ILE A 1 182 ? 8.939 -37.600 -32.141 1.00 14.13 ? 264 ILE A O 1 ATOM 1446 C CB . ILE A 1 182 ? 8.881 -40.524 -31.939 1.00 9.61 ? 264 ILE A CB 1 ATOM 1447 C CG1 . ILE A 1 182 ? 8.450 -41.897 -31.409 1.00 14.49 ? 264 ILE A CG1 1 ATOM 1448 C CG2 . ILE A 1 182 ? 10.102 -40.651 -32.847 1.00 12.38 ? 264 ILE A CG2 1 ATOM 1449 C CD1 . ILE A 1 182 ? 7.854 -42.795 -32.475 1.00 17.46 ? 264 ILE A CD1 1 ATOM 1450 N N . LEU A 1 183 ? 10.775 -37.739 -30.846 1.00 12.05 ? 265 LEU A N 1 ATOM 1451 C CA . LEU A 1 183 ? 11.344 -36.495 -31.362 1.00 12.83 ? 265 LEU A CA 1 ATOM 1452 C C . LEU A 1 183 ? 12.073 -36.756 -32.668 1.00 14.67 ? 265 LEU A C 1 ATOM 1453 O O . LEU A 1 183 ? 12.045 -35.931 -33.583 1.00 14.59 ? 265 LEU A O 1 ATOM 1454 C CB . LEU A 1 183 ? 12.326 -35.884 -30.360 1.00 12.54 ? 265 LEU A CB 1 ATOM 1455 C CG . LEU A 1 183 ? 11.780 -35.468 -28.998 1.00 14.80 ? 265 LEU A CG 1 ATOM 1456 C CD1 . LEU A 1 183 ? 12.875 -34.829 -28.152 1.00 18.53 ? 265 LEU A CD1 1 ATOM 1457 C CD2 . LEU A 1 183 ? 10.610 -34.522 -29.168 1.00 21.84 ? 265 LEU A CD2 1 ATOM 1458 N N . LYS A 1 184 ? 12.720 -37.917 -32.743 1.00 11.00 ? 266 LYS A N 1 ATOM 1459 C CA . LYS A 1 184 ? 13.673 -38.214 -33.801 1.00 12.48 ? 266 LYS A CA 1 ATOM 1460 C C . LYS A 1 184 ? 14.118 -39.670 -33.656 1.00 13.77 ? 266 LYS A C 1 ATOM 1461 O O . LYS A 1 184 ? 14.123 -40.213 -32.547 1.00 11.69 ? 266 LYS A O 1 ATOM 1462 C CB . LYS A 1 184 ? 14.880 -37.280 -33.636 1.00 16.15 ? 266 LYS A CB 1 ATOM 1463 C CG . LYS A 1 184 ? 16.078 -37.543 -34.540 1.00 22.17 ? 266 LYS A CG 1 ATOM 1464 C CD . LYS A 1 184 ? 17.171 -36.522 -34.240 1.00 18.24 ? 266 LYS A CD 1 ATOM 1465 C CE . LYS A 1 184 ? 18.391 -36.704 -35.133 1.00 23.26 ? 266 LYS A CE 1 ATOM 1466 N NZ . LYS A 1 184 ? 19.408 -35.638 -34.874 1.00 21.20 ? 266 LYS A NZ 1 ATOM 1467 N N . TRP A 1 185 ? 14.457 -40.312 -34.767 1.00 14.78 ? 267 TRP A N 1 ATOM 1468 C CA . TRP A 1 185 ? 15.243 -41.545 -34.708 1.00 11.91 ? 267 TRP A CA 1 ATOM 1469 C C . TRP A 1 185 ? 16.353 -41.500 -35.747 1.00 11.52 ? 267 TRP A C 1 ATOM 1470 O O . TRP A 1 185 ? 16.254 -40.766 -36.732 1.00 12.26 ? 267 TRP A O 1 ATOM 1471 C CB . TRP A 1 185 ? 14.381 -42.805 -34.870 1.00 9.32 ? 267 TRP A CB 1 ATOM 1472 C CG . TRP A 1 185 ? 13.677 -42.969 -36.190 1.00 11.24 ? 267 TRP A CG 1 ATOM 1473 C CD1 . TRP A 1 185 ? 12.393 -42.596 -36.488 1.00 15.46 ? 267 TRP A CD1 1 ATOM 1474 C CD2 . TRP A 1 185 ? 14.193 -43.600 -37.373 1.00 11.53 ? 267 TRP A CD2 1 ATOM 1475 N NE1 . TRP A 1 185 ? 12.089 -42.937 -37.787 1.00 15.62 ? 267 TRP A NE1 1 ATOM 1476 C CE2 . TRP A 1 185 ? 13.176 -43.557 -38.350 1.00 10.46 ? 267 TRP A CE2 1 ATOM 1477 C CE3 . TRP A 1 185 ? 15.417 -44.194 -37.701 1.00 11.44 ? 267 TRP A CE3 1 ATOM 1478 C CZ2 . TRP A 1 185 ? 13.349 -44.081 -39.638 1.00 11.17 ? 267 TRP A CZ2 1 ATOM 1479 C CZ3 . TRP A 1 185 ? 15.586 -44.711 -38.981 1.00 14.49 ? 267 TRP A CZ3 1 ATOM 1480 C CH2 . TRP A 1 185 ? 14.556 -44.649 -39.931 1.00 12.67 ? 267 TRP A CH2 1 ATOM 1481 N N . GLU A 1 186 ? 17.411 -42.274 -35.514 1.00 11.01 ? 268 GLU A N 1 ATOM 1482 C CA . GLU A 1 186 ? 18.536 -42.348 -36.440 1.00 15.36 ? 268 GLU A CA 1 ATOM 1483 C C . GLU A 1 186 ? 18.938 -43.794 -36.606 1.00 12.55 ? 268 GLU A C 1 ATOM 1484 O O . GLU A 1 186 ? 18.859 -44.572 -35.654 1.00 14.53 ? 268 GLU A O 1 ATOM 1485 C CB . GLU A 1 186 ? 19.784 -41.679 -35.860 1.00 19.51 ? 268 GLU A CB 1 ATOM 1486 C CG . GLU A 1 186 ? 19.668 -40.297 -35.293 1.00 27.38 ? 268 GLU A CG 1 ATOM 1487 C CD . GLU A 1 186 ? 21.013 -39.835 -34.758 1.00 22.41 ? 268 GLU A CD 1 ATOM 1488 O OE1 . GLU A 1 186 ? 21.393 -40.270 -33.648 1.00 13.38 ? 268 GLU A OE1 1 ATOM 1489 O OE2 . GLU A 1 186 ? 21.704 -39.073 -35.465 1.00 28.48 ? 268 GLU A OE2 1 ATOM 1490 N N A SER A 1 187 ? 19.379 -44.167 -37.801 0.43 11.00 ? 269 SER A N 1 ATOM 1491 N N B SER A 1 187 ? 19.395 -44.152 -37.801 0.57 10.95 ? 269 SER A N 1 ATOM 1492 C CA A SER A 1 187 ? 19.978 -45.483 -37.980 0.43 12.37 ? 269 SER A CA 1 ATOM 1493 C CA B SER A 1 187 ? 20.008 -45.458 -38.000 0.57 12.37 ? 269 SER A CA 1 ATOM 1494 C C A SER A 1 187 ? 21.373 -45.464 -37.363 0.43 14.48 ? 269 SER A C 1 ATOM 1495 C C B SER A 1 187 ? 21.374 -45.450 -37.330 0.57 14.49 ? 269 SER A C 1 ATOM 1496 O O A SER A 1 187 ? 22.028 -44.418 -37.323 0.43 11.05 ? 269 SER A O 1 ATOM 1497 O O B SER A 1 187 ? 22.012 -44.399 -37.227 0.57 11.03 ? 269 SER A O 1 ATOM 1498 C CB A SER A 1 187 ? 20.056 -45.858 -39.459 0.43 16.67 ? 269 SER A CB 1 ATOM 1499 C CB B SER A 1 187 ? 20.152 -45.773 -39.489 0.57 16.73 ? 269 SER A CB 1 ATOM 1500 O OG A SER A 1 187 ? 20.780 -44.888 -40.195 0.43 17.00 ? 269 SER A OG 1 ATOM 1501 O OG B SER A 1 187 ? 18.890 -45.846 -40.120 0.57 15.34 ? 269 SER A OG 1 ATOM 1502 N N . LEU A 1 188 ? 21.814 -46.617 -36.868 1.00 12.62 ? 270 LEU A N 1 ATOM 1503 C CA . LEU A 1 188 ? 23.135 -46.745 -36.255 1.00 12.80 ? 270 LEU A CA 1 ATOM 1504 C C . LEU A 1 188 ? 24.245 -46.290 -37.199 1.00 13.70 ? 270 LEU A C 1 ATOM 1505 O O . LEU A 1 188 ? 24.266 -46.660 -38.378 1.00 15.02 ? 270 LEU A O 1 ATOM 1506 C CB . LEU A 1 188 ? 23.394 -48.202 -35.852 1.00 11.94 ? 270 LEU A CB 1 ATOM 1507 C CG . LEU A 1 188 ? 24.774 -48.505 -35.248 1.00 12.19 ? 270 LEU A CG 1 ATOM 1508 C CD1 . LEU A 1 188 ? 24.912 -47.882 -33.872 1.00 11.69 ? 270 LEU A CD1 1 ATOM 1509 C CD2 . LEU A 1 188 ? 25.009 -50.005 -35.194 1.00 14.62 ? 270 LEU A CD2 1 ATOM 1510 N N . THR A 1 189 ? 25.155 -45.478 -36.674 1.00 11.48 ? 271 THR A N 1 ATOM 1511 C CA . THR A 1 189 ? 26.348 -45.082 -37.421 1.00 13.61 ? 271 THR A CA 1 ATOM 1512 C C . THR A 1 189 ? 27.589 -45.498 -36.630 1.00 15.55 ? 271 THR A C 1 ATOM 1513 O O . THR A 1 189 ? 27.479 -45.976 -35.494 1.00 14.79 ? 271 THR A O 1 ATOM 1514 C CB . THR A 1 189 ? 26.366 -43.559 -37.715 1.00 13.93 ? 271 THR A CB 1 ATOM 1515 O OG1 . THR A 1 189 ? 27.353 -43.273 -38.713 1.00 30.69 ? 271 THR A OG1 1 ATOM 1516 C CG2 . THR A 1 189 ? 26.683 -42.771 -36.458 1.00 13.16 ? 271 THR A CG2 1 ATOM 1517 N N . GLY A 1 190 ? 28.766 -45.352 -37.230 1.00 14.76 ? 272 GLY A N 1 ATOM 1518 C CA . GLY A 1 190 ? 29.990 -45.709 -36.533 1.00 14.28 ? 272 GLY A CA 1 ATOM 1519 C C . GLY A 1 190 ? 30.502 -47.095 -36.883 1.00 14.44 ? 272 GLY A C 1 ATOM 1520 O O . GLY A 1 190 ? 30.078 -47.699 -37.877 1.00 14.54 ? 272 GLY A O 1 ATOM 1521 N N . THR A 1 191 ? 31.402 -47.617 -36.052 1.00 12.21 ? 273 THR A N 1 ATOM 1522 C CA . THR A 1 191 ? 32.110 -48.849 -36.389 1.00 15.06 ? 273 THR A CA 1 ATOM 1523 C C . THR A 1 191 ? 31.621 -50.108 -35.666 1.00 11.51 ? 273 THR A C 1 ATOM 1524 O O . THR A 1 191 ? 32.080 -51.209 -35.964 1.00 11.61 ? 273 THR A O 1 ATOM 1525 C CB . THR A 1 191 ? 33.627 -48.686 -36.202 1.00 13.60 ? 273 THR A CB 1 ATOM 1526 O OG1 . THR A 1 191 ? 33.913 -48.361 -34.836 1.00 13.83 ? 273 THR A OG1 1 ATOM 1527 C CG2 . THR A 1 191 ? 34.144 -47.570 -37.100 1.00 15.56 ? 273 THR A CG2 1 ATOM 1528 N N . ALA A 1 192 ? 30.687 -49.957 -34.731 1.00 11.12 ? 274 ALA A N 1 ATOM 1529 C CA . ALA A 1 192 ? 30.039 -51.133 -34.155 1.00 9.06 ? 274 ALA A CA 1 ATOM 1530 C C . ALA A 1 192 ? 29.309 -51.888 -35.269 1.00 13.29 ? 274 ALA A C 1 ATOM 1531 O O . ALA A 1 192 ? 28.573 -51.283 -36.055 1.00 14.49 ? 274 ALA A O 1 ATOM 1532 C CB . ALA A 1 192 ? 29.078 -50.727 -33.042 1.00 9.43 ? 274 ALA A CB 1 ATOM 1533 N N . LYS A 1 193 ? 29.514 -53.202 -35.343 1.00 9.34 ? 275 LYS A N 1 ATOM 1534 C CA . LYS A 1 193 ? 29.015 -53.977 -36.479 1.00 11.93 ? 275 LYS A CA 1 ATOM 1535 C C . LYS A 1 193 ? 27.726 -54.736 -36.175 1.00 12.79 ? 275 LYS A C 1 ATOM 1536 O O . LYS A 1 193 ? 27.042 -55.191 -37.096 1.00 13.48 ? 275 LYS A O 1 ATOM 1537 C CB . LYS A 1 193 ? 30.078 -54.955 -36.993 1.00 12.44 ? 275 LYS A CB 1 ATOM 1538 C CG . LYS A 1 193 ? 31.347 -54.286 -37.513 1.00 11.10 ? 275 LYS A CG 1 ATOM 1539 C CD . LYS A 1 193 ? 31.012 -53.176 -38.519 1.00 11.78 ? 275 LYS A CD 1 ATOM 1540 C CE . LYS A 1 193 ? 32.263 -52.652 -39.232 1.00 14.52 ? 275 LYS A CE 1 ATOM 1541 N NZ . LYS A 1 193 ? 33.294 -52.118 -38.300 1.00 13.87 ? 275 LYS A NZ 1 ATOM 1542 N N . HIS A 1 194 ? 27.413 -54.884 -34.888 1.00 12.73 ? 276 HIS A N 1 ATOM 1543 C CA . HIS A 1 194 ? 26.163 -55.517 -34.461 1.00 11.34 ? 276 HIS A CA 1 ATOM 1544 C C . HIS A 1 194 ? 25.833 -55.071 -33.037 1.00 13.22 ? 276 HIS A C 1 ATOM 1545 O O . HIS A 1 194 ? 26.723 -55.010 -32.191 1.00 13.27 ? 276 HIS A O 1 ATOM 1546 C CB . HIS A 1 194 ? 26.261 -57.045 -34.535 1.00 12.89 ? 276 HIS A CB 1 ATOM 1547 C CG . HIS A 1 194 ? 24.951 -57.739 -34.310 1.00 11.48 ? 276 HIS A CG 1 ATOM 1548 N ND1 . HIS A 1 194 ? 24.131 -58.133 -35.344 1.00 14.72 ? 276 HIS A ND1 1 ATOM 1549 C CD2 . HIS A 1 194 ? 24.310 -58.083 -33.168 1.00 12.24 ? 276 HIS A CD2 1 ATOM 1550 C CE1 . HIS A 1 194 ? 23.046 -58.707 -34.851 1.00 11.94 ? 276 HIS A CE1 1 ATOM 1551 N NE2 . HIS A 1 194 ? 23.128 -58.684 -33.532 1.00 18.24 ? 276 HIS A NE2 1 ATOM 1552 N N . ILE A 1 195 ? 24.562 -54.761 -32.778 1.00 10.76 ? 277 ILE A N 1 ATOM 1553 C CA . ILE A 1 195 ? 24.146 -54.183 -31.495 1.00 10.11 ? 277 ILE A CA 1 ATOM 1554 C C . ILE A 1 195 ? 22.961 -54.932 -30.875 1.00 12.50 ? 277 ILE A C 1 ATOM 1555 O O . ILE A 1 195 ? 21.927 -55.120 -31.532 1.00 11.08 ? 277 ILE A O 1 ATOM 1556 C CB . ILE A 1 195 ? 23.752 -52.691 -31.669 1.00 10.02 ? 277 ILE A CB 1 ATOM 1557 C CG1 . ILE A 1 195 ? 24.967 -51.847 -32.062 1.00 13.42 ? 277 ILE A CG1 1 ATOM 1558 C CG2 . ILE A 1 195 ? 23.093 -52.141 -30.390 1.00 8.25 ? 277 ILE A CG2 1 ATOM 1559 C CD1 . ILE A 1 195 ? 25.972 -51.677 -30.943 1.00 13.43 ? 277 ILE A CD1 1 ATOM 1560 N N . GLU A 1 196 ? 23.122 -55.365 -29.620 1.00 10.22 ? 278 GLU A N 1 ATOM 1561 C CA . GLU A 1 196 ? 22.028 -55.933 -28.829 1.00 11.84 ? 278 GLU A CA 1 ATOM 1562 C C . GLU A 1 196 ? 22.090 -55.415 -27.396 1.00 8.38 ? 278 GLU A C 1 ATOM 1563 O O . GLU A 1 196 ? 23.175 -55.110 -26.889 1.00 11.44 ? 278 GLU A O 1 ATOM 1564 C CB . GLU A 1 196 ? 22.119 -57.465 -28.771 1.00 10.79 ? 278 GLU A CB 1 ATOM 1565 C CG . GLU A 1 196 ? 22.196 -58.181 -30.117 1.00 12.50 ? 278 GLU A CG 1 ATOM 1566 C CD . GLU A 1 196 ? 20.850 -58.374 -30.773 1.00 18.66 ? 278 GLU A CD 1 ATOM 1567 O OE1 . GLU A 1 196 ? 19.829 -57.937 -30.202 1.00 18.23 ? 278 GLU A OE1 1 ATOM 1568 O OE2 . GLU A 1 196 ? 20.814 -58.971 -31.872 1.00 20.09 ? 278 GLU A OE2 1 ATOM 1569 N N . GLU A 1 197 ? 20.921 -55.310 -26.764 1.00 9.63 ? 279 GLU A N 1 ATOM 1570 C CA . GLU A 1 197 ? 20.811 -55.222 -25.303 1.00 9.23 ? 279 GLU A CA 1 ATOM 1571 C C . GLU A 1 197 ? 21.734 -54.192 -24.660 1.00 8.58 ? 279 GLU A C 1 ATOM 1572 O O . GLU A 1 197 ? 22.499 -54.510 -23.745 1.00 8.74 ? 279 GLU A O 1 ATOM 1573 C CB . GLU A 1 197 ? 21.045 -56.607 -24.687 1.00 10.93 ? 279 GLU A CB 1 ATOM 1574 C CG . GLU A 1 197 ? 20.021 -57.654 -25.158 1.00 11.71 ? 279 GLU A CG 1 ATOM 1575 C CD . GLU A 1 197 ? 20.362 -59.084 -24.753 1.00 13.84 ? 279 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 197 ? 21.537 -59.377 -24.449 1.00 11.77 ? 279 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 197 ? 19.445 -59.934 -24.755 1.00 13.14 ? 279 GLU A OE2 1 ATOM 1578 N N . CYS A 1 198 ? 21.658 -52.953 -25.134 1.00 9.65 ? 280 CYS A N 1 ATOM 1579 C CA . CYS A 1 198 ? 22.530 -51.906 -24.615 1.00 9.99 ? 280 CYS A CA 1 ATOM 1580 C C . CYS A 1 198 ? 22.273 -51.588 -23.142 1.00 12.07 ? 280 CYS A C 1 ATOM 1581 O O . CYS A 1 198 ? 21.124 -51.472 -22.709 1.00 9.33 ? 280 CYS A O 1 ATOM 1582 C CB . CYS A 1 198 ? 22.388 -50.634 -25.450 1.00 11.50 ? 280 CYS A CB 1 ATOM 1583 S SG . CYS A 1 198 ? 23.048 -50.811 -27.128 1.00 13.87 ? 280 CYS A SG 1 ATOM 1584 N N . SER A 1 199 ? 23.361 -51.460 -22.384 1.00 9.38 ? 281 SER A N 1 ATOM 1585 C CA . SER A 1 199 ? 23.319 -50.983 -21.002 1.00 10.44 ? 281 SER A CA 1 ATOM 1586 C C . SER A 1 199 ? 23.862 -49.562 -20.951 1.00 10.29 ? 281 SER A C 1 ATOM 1587 O O . SER A 1 199 ? 25.011 -49.328 -21.327 1.00 10.50 ? 281 SER A O 1 ATOM 1588 C CB . SER A 1 199 ? 24.181 -51.866 -20.107 1.00 10.12 ? 281 SER A CB 1 ATOM 1589 O OG . SER A 1 199 ? 23.722 -53.198 -20.123 1.00 10.59 ? 281 SER A OG 1 ATOM 1590 N N . CYS A 1 200 ? 23.060 -48.618 -20.463 1.00 9.67 ? 282 CYS A N 1 ATOM 1591 C CA . CYS A 1 200 ? 23.417 -47.204 -20.575 1.00 9.05 ? 282 CYS A CA 1 ATOM 1592 C C . CYS A 1 200 ? 23.501 -46.476 -19.237 1.00 12.35 ? 282 CYS A C 1 ATOM 1593 O O . CYS A 1 200 ? 22.874 -46.876 -18.252 1.00 9.98 ? 282 CYS A O 1 ATOM 1594 C CB . CYS A 1 200 ? 22.418 -46.482 -21.480 1.00 12.30 ? 282 CYS A CB 1 ATOM 1595 S SG . CYS A 1 200 ? 22.151 -47.284 -23.083 1.00 13.10 ? 282 CYS A SG 1 ATOM 1596 N N . TYR A 1 201 ? 24.292 -45.407 -19.210 1.00 10.24 ? 283 TYR A N 1 ATOM 1597 C CA . TYR A 1 201 ? 24.317 -44.497 -18.069 1.00 11.75 ? 283 TYR A CA 1 ATOM 1598 C C . TYR A 1 201 ? 24.620 -43.097 -18.586 1.00 10.29 ? 283 TYR A C 1 ATOM 1599 O O . TYR A 1 201 ? 25.120 -42.930 -19.702 1.00 10.48 ? 283 TYR A O 1 ATOM 1600 C CB . TYR A 1 201 ? 25.355 -44.935 -17.019 1.00 10.77 ? 283 TYR A CB 1 ATOM 1601 C CG . TYR A 1 201 ? 26.783 -44.771 -17.492 1.00 9.89 ? 283 TYR A CG 1 ATOM 1602 C CD1 . TYR A 1 201 ? 27.419 -45.790 -18.196 1.00 11.09 ? 283 TYR A CD1 1 ATOM 1603 C CD2 . TYR A 1 201 ? 27.493 -43.597 -17.239 1.00 8.94 ? 283 TYR A CD2 1 ATOM 1604 C CE1 . TYR A 1 201 ? 28.719 -45.644 -18.643 1.00 10.21 ? 283 TYR A CE1 1 ATOM 1605 C CE2 . TYR A 1 201 ? 28.793 -43.444 -17.685 1.00 11.70 ? 283 TYR A CE2 1 ATOM 1606 C CZ . TYR A 1 201 ? 29.394 -44.468 -18.384 1.00 13.70 ? 283 TYR A CZ 1 ATOM 1607 O OH . TYR A 1 201 ? 30.690 -44.312 -18.819 1.00 14.35 ? 283 TYR A OH 1 ATOM 1608 N N . GLY A 1 202 ? 24.310 -42.087 -17.781 1.00 10.06 ? 284 GLY A N 1 ATOM 1609 C CA . GLY A 1 202 ? 24.540 -40.719 -18.205 1.00 12.76 ? 284 GLY A CA 1 ATOM 1610 C C . GLY A 1 202 ? 25.407 -39.962 -17.224 1.00 12.03 ? 284 GLY A C 1 ATOM 1611 O O . GLY A 1 202 ? 25.441 -40.272 -16.034 1.00 10.86 ? 284 GLY A O 1 ATOM 1612 N N . GLU A 1 203 ? 26.129 -38.973 -17.732 1.00 12.05 ? 285 GLU A N 1 ATOM 1613 C CA . GLU A 1 203 ? 26.857 -38.047 -16.879 1.00 10.90 ? 285 GLU A CA 1 ATOM 1614 C C . GLU A 1 203 ? 27.028 -36.778 -17.703 1.00 16.05 ? 285 GLU A C 1 ATOM 1615 O O . GLU A 1 203 ? 26.491 -36.697 -18.804 1.00 14.21 ? 285 GLU A O 1 ATOM 1616 C CB . GLU A 1 203 ? 28.204 -38.637 -16.449 1.00 14.49 ? 285 GLU A CB 1 ATOM 1617 C CG . GLU A 1 203 ? 29.103 -39.063 -17.601 1.00 21.37 ? 285 GLU A CG 1 ATOM 1618 C CD . GLU A 1 203 ? 30.498 -38.496 -17.469 1.00 28.26 ? 285 GLU A CD 1 ATOM 1619 O OE1 . GLU A 1 203 ? 30.632 -37.254 -17.446 1.00 23.31 ? 285 GLU A OE1 1 ATOM 1620 O OE2 . GLU A 1 203 ? 31.459 -39.290 -17.373 1.00 30.52 ? 285 GLU A OE2 1 ATOM 1621 N N . ARG A 1 204 ? 27.751 -35.790 -17.182 1.00 11.84 ? 286 ARG A N 1 ATOM 1622 C CA . ARG A 1 204 ? 27.846 -34.490 -17.857 1.00 11.65 ? 286 ARG A CA 1 ATOM 1623 C C . ARG A 1 204 ? 28.349 -34.565 -19.304 1.00 14.04 ? 286 ARG A C 1 ATOM 1624 O O . ARG A 1 204 ? 27.984 -33.732 -20.138 1.00 14.30 ? 286 ARG A O 1 ATOM 1625 C CB . ARG A 1 204 ? 28.692 -33.515 -17.029 1.00 16.12 ? 286 ARG A CB 1 ATOM 1626 C CG . ARG A 1 204 ? 30.057 -34.065 -16.633 1.00 14.54 ? 286 ARG A CG 1 ATOM 1627 C CD . ARG A 1 204 ? 30.768 -33.135 -15.660 1.00 20.60 ? 286 ARG A CD 1 ATOM 1628 N NE . ARG A 1 204 ? 31.939 -33.794 -15.081 1.00 16.76 ? 286 ARG A NE 1 ATOM 1629 C CZ . ARG A 1 204 ? 32.538 -33.402 -13.964 1.00 17.36 ? 286 ARG A CZ 1 ATOM 1630 N NH1 . ARG A 1 204 ? 32.078 -32.348 -13.301 1.00 17.00 ? 286 ARG A NH1 1 ATOM 1631 N NH2 . ARG A 1 204 ? 33.594 -34.068 -13.508 1.00 22.24 ? 286 ARG A NH2 1 ATOM 1632 N N . THR A 1 205 ? 29.170 -35.564 -19.613 1.00 16.39 ? 287 THR A N 1 ATOM 1633 C CA . THR A 1 205 ? 29.715 -35.688 -20.968 1.00 21.48 ? 287 THR A CA 1 ATOM 1634 C C . THR A 1 205 ? 28.671 -36.140 -21.980 1.00 21.54 ? 287 THR A C 1 ATOM 1635 O O . THR A 1 205 ? 28.790 -35.855 -23.171 1.00 21.75 ? 287 THR A O 1 ATOM 1636 C CB . THR A 1 205 ? 30.907 -36.664 -21.039 1.00 27.67 ? 287 THR A CB 1 ATOM 1637 O OG1 . THR A 1 205 ? 30.466 -37.995 -20.738 1.00 31.35 ? 287 THR A OG1 1 ATOM 1638 C CG2 . THR A 1 205 ? 32.000 -36.251 -20.067 1.00 23.67 ? 287 THR A CG2 1 ATOM 1639 N N . GLY A 1 206 ? 27.656 -36.855 -21.505 1.00 18.53 ? 288 GLY A N 1 ATOM 1640 C CA . GLY A 1 206 ? 26.634 -37.394 -22.385 1.00 15.31 ? 288 GLY A CA 1 ATOM 1641 C C . GLY A 1 206 ? 26.204 -38.765 -21.910 1.00 16.82 ? 288 GLY A C 1 ATOM 1642 O O . GLY A 1 206 ? 26.444 -39.125 -20.758 1.00 14.90 ? 288 GLY A O 1 ATOM 1643 N N . ILE A 1 207 ? 25.582 -39.537 -22.795 1.00 12.15 ? 289 ILE A N 1 ATOM 1644 C CA . ILE A 1 207 ? 25.104 -40.868 -22.429 1.00 9.78 ? 289 ILE A CA 1 ATOM 1645 C C . ILE A 1 207 ? 26.000 -41.930 -23.074 1.00 10.76 ? 289 ILE A C 1 ATOM 1646 O O . ILE A 1 207 ? 26.348 -41.823 -24.251 1.00 12.90 ? 289 ILE A O 1 ATOM 1647 C CB . ILE A 1 207 ? 23.619 -41.049 -22.845 1.00 7.30 ? 289 ILE A CB 1 ATOM 1648 C CG1 . ILE A 1 207 ? 22.721 -40.151 -21.988 1.00 12.16 ? 289 ILE A CG1 1 ATOM 1649 C CG2 . ILE A 1 207 ? 23.179 -42.506 -22.694 1.00 11.42 ? 289 ILE A CG2 1 ATOM 1650 C CD1 . ILE A 1 207 ? 21.326 -39.969 -22.541 1.00 12.83 ? 289 ILE A CD1 1 ATOM 1651 N N . THR A 1 208 ? 26.385 -42.940 -22.294 1.00 9.29 ? 290 THR A N 1 ATOM 1652 C CA . THR A 1 208 ? 27.261 -44.004 -22.767 1.00 7.83 ? 290 THR A CA 1 ATOM 1653 C C . THR A 1 208 ? 26.534 -45.340 -22.659 1.00 12.21 ? 290 THR A C 1 ATOM 1654 O O . THR A 1 208 ? 26.009 -45.677 -21.593 1.00 11.13 ? 290 THR A O 1 ATOM 1655 C CB . THR A 1 208 ? 28.573 -44.058 -21.927 1.00 11.58 ? 290 THR A CB 1 ATOM 1656 O OG1 . THR A 1 208 ? 29.278 -42.815 -22.064 1.00 13.96 ? 290 THR A OG1 1 ATOM 1657 C CG2 . THR A 1 208 ? 29.471 -45.197 -22.381 1.00 13.86 ? 290 THR A CG2 1 ATOM 1658 N N . CYS A 1 209 ? 26.488 -46.090 -23.758 1.00 11.24 ? 291 CYS A N 1 ATOM 1659 C CA . CYS A 1 209 ? 25.854 -47.406 -23.760 1.00 12.83 ? 291 CYS A CA 1 ATOM 1660 C C . CYS A 1 209 ? 26.861 -48.486 -24.132 1.00 10.46 ? 291 CYS A C 1 ATOM 1661 O O . CYS A 1 209 ? 27.594 -48.354 -25.116 1.00 14.86 ? 291 CYS A O 1 ATOM 1662 C CB . CYS A 1 209 ? 24.681 -47.453 -24.741 1.00 9.79 ? 291 CYS A CB 1 ATOM 1663 S SG . CYS A 1 209 ? 23.368 -46.272 -24.390 1.00 13.22 ? 291 CYS A SG 1 ATOM 1664 N N . THR A 1 210 ? 26.900 -49.552 -23.339 1.00 7.91 ? 292 THR A N 1 ATOM 1665 C CA . THR A 1 210 ? 27.772 -50.683 -23.630 1.00 11.45 ? 292 THR A CA 1 ATOM 1666 C C . THR A 1 210 ? 26.869 -51.827 -24.027 1.00 12.04 ? 292 THR A C 1 ATOM 1667 O O . THR A 1 210 ? 25.963 -52.191 -23.279 1.00 9.51 ? 292 THR A O 1 ATOM 1668 C CB . THR A 1 210 ? 28.594 -51.087 -22.397 1.00 11.03 ? 292 THR A CB 1 ATOM 1669 O OG1 . THR A 1 210 ? 29.339 -49.954 -21.931 1.00 12.40 ? 292 THR A OG1 1 ATOM 1670 C CG2 . THR A 1 210 ? 29.555 -52.222 -22.741 1.00 10.80 ? 292 THR A CG2 1 ATOM 1671 N N . CYS A 1 211 ? 27.092 -52.388 -25.211 1.00 10.77 ? 293 CYS A N 1 ATOM 1672 C CA . CYS A 1 211 ? 26.126 -53.323 -25.769 1.00 11.66 ? 293 CYS A CA 1 ATOM 1673 C C . CYS A 1 211 ? 26.710 -54.715 -25.985 1.00 9.69 ? 293 CYS A C 1 ATOM 1674 O O . CYS A 1 211 ? 27.781 -55.042 -25.469 1.00 11.33 ? 293 CYS A O 1 ATOM 1675 C CB . CYS A 1 211 ? 25.547 -52.755 -27.068 1.00 11.49 ? 293 CYS A CB 1 ATOM 1676 S SG . CYS A 1 211 ? 25.089 -50.999 -26.918 1.00 14.07 ? 293 CYS A SG 1 ATOM 1677 N N . ARG A 1 212 ? 25.976 -55.537 -26.725 1.00 8.23 ? 294 ARG A N 1 ATOM 1678 C CA . ARG A 1 212 ? 26.380 -56.908 -27.013 1.00 11.04 ? 294 ARG A CA 1 ATOM 1679 C C . ARG A 1 212 ? 26.425 -57.115 -28.525 1.00 10.92 ? 294 ARG A C 1 ATOM 1680 O O . ARG A 1 212 ? 25.434 -56.895 -29.220 1.00 10.88 ? 294 ARG A O 1 ATOM 1681 C CB . ARG A 1 212 ? 25.393 -57.879 -26.343 1.00 9.85 ? 294 ARG A CB 1 ATOM 1682 C CG . ARG A 1 212 ? 25.321 -59.302 -26.910 1.00 8.73 ? 294 ARG A CG 1 ATOM 1683 C CD . ARG A 1 212 ? 24.156 -60.048 -26.245 1.00 11.28 ? 294 ARG A CD 1 ATOM 1684 N NE . ARG A 1 212 ? 23.907 -61.371 -26.819 1.00 11.85 ? 294 ARG A NE 1 ATOM 1685 C CZ . ARG A 1 212 ? 23.044 -62.246 -26.311 1.00 12.50 ? 294 ARG A CZ 1 ATOM 1686 N NH1 . ARG A 1 212 ? 22.363 -61.934 -25.218 1.00 9.96 ? 294 ARG A NH1 1 ATOM 1687 N NH2 . ARG A 1 212 ? 22.864 -63.427 -26.890 1.00 10.76 ? 294 ARG A NH2 1 ATOM 1688 N N . ASP A 1 213 ? 27.590 -57.488 -29.041 1.00 8.38 ? 295 ASP A N 1 ATOM 1689 C CA . ASP A 1 213 ? 27.703 -57.861 -30.450 1.00 9.47 ? 295 ASP A CA 1 ATOM 1690 C C . ASP A 1 213 ? 27.388 -59.341 -30.516 1.00 11.02 ? 295 ASP A C 1 ATOM 1691 O O . ASP A 1 213 ? 28.214 -60.134 -30.139 1.00 10.10 ? 295 ASP A O 1 ATOM 1692 C CB . ASP A 1 213 ? 29.133 -57.583 -30.947 1.00 11.45 ? 295 ASP A CB 1 ATOM 1693 C CG . ASP A 1 213 ? 29.355 -57.983 -32.408 1.00 13.05 ? 295 ASP A CG 1 ATOM 1694 O OD1 . ASP A 1 213 ? 28.679 -58.908 -32.901 1.00 14.28 ? 295 ASP A OD1 1 ATOM 1695 O OD2 . ASP A 1 213 ? 30.240 -57.384 -33.066 1.00 12.80 ? 295 ASP A OD2 1 ATOM 1696 N N . ASN A 1 214 ? 26.215 -59.734 -30.992 1.00 10.49 ? 296 ASN A N 1 ATOM 1697 C CA . ASN A 1 214 ? 25.881 -61.154 -31.001 1.00 9.81 ? 296 ASN A CA 1 ATOM 1698 C C . ASN A 1 214 ? 26.425 -61.895 -32.216 1.00 15.23 ? 296 ASN A C 1 ATOM 1699 O O . ASN A 1 214 ? 26.315 -63.111 -32.309 1.00 15.37 ? 296 ASN A O 1 ATOM 1700 C CB . ASN A 1 214 ? 24.369 -61.361 -30.930 1.00 10.74 ? 296 ASN A CB 1 ATOM 1701 C CG . ASN A 1 214 ? 24.003 -62.731 -30.411 1.00 13.96 ? 296 ASN A CG 1 ATOM 1702 O OD1 . ASN A 1 214 ? 24.293 -63.056 -29.260 1.00 13.16 ? 296 ASN A OD1 1 ATOM 1703 N ND2 . ASN A 1 214 ? 23.355 -63.542 -31.249 1.00 13.43 ? 296 ASN A ND2 1 ATOM 1704 N N . TRP A 1 215 ? 27.004 -61.156 -33.149 1.00 10.44 ? 297 TRP A N 1 ATOM 1705 C CA . TRP A 1 215 ? 27.383 -61.732 -34.437 1.00 11.41 ? 297 TRP A CA 1 ATOM 1706 C C . TRP A 1 215 ? 28.795 -62.322 -34.417 1.00 14.09 ? 297 TRP A C 1 ATOM 1707 O O . TRP A 1 215 ? 28.955 -63.537 -34.294 1.00 15.40 ? 297 TRP A O 1 ATOM 1708 C CB . TRP A 1 215 ? 27.206 -60.682 -35.532 1.00 12.57 ? 297 TRP A CB 1 ATOM 1709 C CG . TRP A 1 215 ? 27.581 -61.124 -36.920 1.00 16.89 ? 297 TRP A CG 1 ATOM 1710 C CD1 . TRP A 1 215 ? 27.754 -62.403 -37.370 1.00 14.52 ? 297 TRP A CD1 1 ATOM 1711 C CD2 . TRP A 1 215 ? 27.842 -60.264 -38.036 1.00 13.07 ? 297 TRP A CD2 1 ATOM 1712 N NE1 . TRP A 1 215 ? 28.109 -62.386 -38.708 1.00 14.63 ? 297 TRP A NE1 1 ATOM 1713 C CE2 . TRP A 1 215 ? 28.168 -61.084 -39.133 1.00 15.82 ? 297 TRP A CE2 1 ATOM 1714 C CE3 . TRP A 1 215 ? 27.825 -58.876 -38.211 1.00 16.67 ? 297 TRP A CE3 1 ATOM 1715 C CZ2 . TRP A 1 215 ? 28.480 -60.561 -40.389 1.00 16.62 ? 297 TRP A CZ2 1 ATOM 1716 C CZ3 . TRP A 1 215 ? 28.137 -58.357 -39.458 1.00 17.86 ? 297 TRP A CZ3 1 ATOM 1717 C CH2 . TRP A 1 215 ? 28.460 -59.202 -40.531 1.00 15.23 ? 297 TRP A CH2 1 ATOM 1718 N N . GLN A 1 216 ? 29.817 -61.476 -34.526 1.00 13.78 ? 298 GLN A N 1 ATOM 1719 C CA . GLN A 1 216 ? 31.191 -61.976 -34.590 1.00 14.99 ? 298 GLN A CA 1 ATOM 1720 C C . GLN A 1 216 ? 32.095 -61.552 -33.439 1.00 14.76 ? 298 GLN A C 1 ATOM 1721 O O . GLN A 1 216 ? 33.210 -62.051 -33.327 1.00 12.60 ? 298 GLN A O 1 ATOM 1722 C CB . GLN A 1 216 ? 31.851 -61.554 -35.911 1.00 18.34 ? 298 GLN A CB 1 ATOM 1723 C CG . GLN A 1 216 ? 31.114 -62.049 -37.145 1.00 17.45 ? 298 GLN A CG 1 ATOM 1724 C CD . GLN A 1 216 ? 31.877 -61.803 -38.433 1.00 28.95 ? 298 GLN A CD 1 ATOM 1725 O OE1 . GLN A 1 216 ? 32.164 -62.735 -39.183 1.00 39.35 ? 298 GLN A OE1 1 ATOM 1726 N NE2 . GLN A 1 216 ? 32.196 -60.544 -38.703 1.00 20.71 ? 298 GLN A NE2 1 ATOM 1727 N N . GLY A 1 217 ? 31.640 -60.633 -32.592 1.00 11.42 ? 299 GLY A N 1 ATOM 1728 C CA . GLY A 1 217 ? 32.566 -59.993 -31.666 1.00 11.85 ? 299 GLY A CA 1 ATOM 1729 C C . GLY A 1 217 ? 32.490 -60.448 -30.236 1.00 16.84 ? 299 GLY A C 1 ATOM 1730 O O . GLY A 1 217 ? 31.418 -60.732 -29.762 1.00 13.38 ? 299 GLY A O 1 ATOM 1731 N N . SER A 1 218 ? 33.614 -60.506 -29.534 1.00 12.21 ? 300 SER A N 1 ATOM 1732 C CA . SER A 1 218 ? 33.556 -60.814 -28.110 1.00 7.91 ? 300 SER A CA 1 ATOM 1733 C C . SER A 1 218 ? 34.067 -59.648 -27.278 1.00 12.58 ? 300 SER A C 1 ATOM 1734 O O . SER A 1 218 ? 34.087 -59.710 -26.045 1.00 14.30 ? 300 SER A O 1 ATOM 1735 C CB . SER A 1 218 ? 34.300 -62.105 -27.791 1.00 10.55 ? 300 SER A CB 1 ATOM 1736 O OG . SER A 1 218 ? 33.634 -63.216 -28.369 1.00 13.12 ? 300 SER A OG 1 ATOM 1737 N N . ASN A 1 219 ? 34.494 -58.590 -27.964 1.00 11.07 ? 301 ASN A N 1 ATOM 1738 C CA . ASN A 1 219 ? 34.587 -57.275 -27.347 1.00 11.41 ? 301 ASN A CA 1 ATOM 1739 C C . ASN A 1 219 ? 33.210 -56.631 -27.433 1.00 12.59 ? 301 ASN A C 1 ATOM 1740 O O . ASN A 1 219 ? 32.399 -57.020 -28.270 1.00 12.37 ? 301 ASN A O 1 ATOM 1741 C CB . ASN A 1 219 ? 35.640 -56.398 -28.051 1.00 13.14 ? 301 ASN A CB 1 ATOM 1742 C CG . ASN A 1 219 ? 35.472 -56.363 -29.566 1.00 12.07 ? 301 ASN A CG 1 ATOM 1743 O OD1 . ASN A 1 219 ? 34.732 -57.159 -30.146 1.00 11.88 ? 301 ASN A OD1 1 ATOM 1744 N ND2 . ASN A 1 219 ? 36.187 -55.444 -30.218 1.00 13.33 ? 301 ASN A ND2 1 ATOM 1745 N N . ARG A 1 220 ? 32.935 -55.652 -26.580 1.00 10.86 ? 302 ARG A N 1 ATOM 1746 C CA . ARG A 1 220 ? 31.600 -55.058 -26.557 1.00 8.96 ? 302 ARG A CA 1 ATOM 1747 C C . ARG A 1 220 ? 31.540 -53.780 -27.353 1.00 10.72 ? 302 ARG A C 1 ATOM 1748 O O . ARG A 1 220 ? 32.395 -52.907 -27.202 1.00 11.84 ? 302 ARG A O 1 ATOM 1749 C CB . ARG A 1 220 ? 31.157 -54.768 -25.121 1.00 8.72 ? 302 ARG A CB 1 ATOM 1750 C CG . ARG A 1 220 ? 30.898 -56.024 -24.320 1.00 9.97 ? 302 ARG A CG 1 ATOM 1751 C CD . ARG A 1 220 ? 30.158 -55.735 -23.017 1.00 9.20 ? 302 ARG A CD 1 ATOM 1752 N NE . ARG A 1 220 ? 29.834 -56.986 -22.339 1.00 9.05 ? 302 ARG A NE 1 ATOM 1753 C CZ . ARG A 1 220 ? 28.788 -57.748 -22.646 1.00 7.51 ? 302 ARG A CZ 1 ATOM 1754 N NH1 . ARG A 1 220 ? 27.950 -57.387 -23.617 1.00 8.42 ? 302 ARG A NH1 1 ATOM 1755 N NH2 . ARG A 1 220 ? 28.579 -58.874 -21.990 1.00 8.69 ? 302 ARG A NH2 1 ATOM 1756 N N . PRO A 1 221 ? 30.505 -53.651 -28.188 1.00 9.92 ? 303 PRO A N 1 ATOM 1757 C CA . PRO A 1 221 ? 30.319 -52.374 -28.875 1.00 10.56 ? 303 PRO A CA 1 ATOM 1758 C C . PRO A 1 221 ? 29.864 -51.288 -27.894 1.00 12.34 ? 303 PRO A C 1 ATOM 1759 O O . PRO A 1 221 ? 29.263 -51.602 -26.853 1.00 13.54 ? 303 PRO A O 1 ATOM 1760 C CB . PRO A 1 221 ? 29.249 -52.684 -29.931 1.00 11.63 ? 303 PRO A CB 1 ATOM 1761 C CG . PRO A 1 221 ? 28.596 -53.955 -29.501 1.00 13.21 ? 303 PRO A CG 1 ATOM 1762 C CD . PRO A 1 221 ? 29.565 -54.700 -28.633 1.00 9.65 ? 303 PRO A CD 1 ATOM 1763 N N . VAL A 1 222 ? 30.186 -50.034 -28.203 1.00 9.57 ? 304 VAL A N 1 ATOM 1764 C CA . VAL A 1 222 ? 29.814 -48.899 -27.366 1.00 10.61 ? 304 VAL A CA 1 ATOM 1765 C C . VAL A 1 222 ? 29.118 -47.874 -28.237 1.00 15.18 ? 304 VAL A C 1 ATOM 1766 O O . VAL A 1 222 ? 29.604 -47.551 -29.323 1.00 14.89 ? 304 VAL A O 1 ATOM 1767 C CB . VAL A 1 222 ? 31.051 -48.226 -26.732 1.00 13.86 ? 304 VAL A CB 1 ATOM 1768 C CG1 . VAL A 1 222 ? 30.653 -46.937 -25.992 1.00 13.62 ? 304 VAL A CG1 1 ATOM 1769 C CG2 . VAL A 1 222 ? 31.762 -49.194 -25.792 1.00 12.27 ? 304 VAL A CG2 1 ATOM 1770 N N . ILE A 1 223 ? 27.979 -47.376 -27.774 1.00 10.77 ? 305 ILE A N 1 ATOM 1771 C CA . ILE A 1 223 ? 27.318 -46.254 -28.433 1.00 10.84 ? 305 ILE A CA 1 ATOM 1772 C C . ILE A 1 223 ? 27.370 -45.057 -27.493 1.00 14.03 ? 305 ILE A C 1 ATOM 1773 O O . ILE A 1 223 ? 26.978 -45.157 -26.328 1.00 11.75 ? 305 ILE A O 1 ATOM 1774 C CB . ILE A 1 223 ? 25.849 -46.576 -28.785 1.00 12.62 ? 305 ILE A CB 1 ATOM 1775 C CG1 . ILE A 1 223 ? 25.772 -47.757 -29.761 1.00 10.08 ? 305 ILE A CG1 1 ATOM 1776 C CG2 . ILE A 1 223 ? 25.162 -45.353 -29.381 1.00 14.23 ? 305 ILE A CG2 1 ATOM 1777 C CD1 . ILE A 1 223 ? 24.356 -48.296 -29.979 1.00 13.31 ? 305 ILE A CD1 1 ATOM 1778 N N . GLN A 1 224 ? 27.873 -43.931 -27.989 1.00 11.88 ? 306 GLN A N 1 ATOM 1779 C CA . GLN A 1 224 ? 27.923 -42.705 -27.200 1.00 9.52 ? 306 GLN A CA 1 ATOM 1780 C C . GLN A 1 224 ? 26.926 -41.701 -27.757 1.00 13.72 ? 306 GLN A C 1 ATOM 1781 O O . GLN A 1 224 ? 26.989 -41.333 -28.931 1.00 14.60 ? 306 GLN A O 1 ATOM 1782 C CB . GLN A 1 224 ? 29.343 -42.126 -27.194 1.00 14.10 ? 306 GLN A CB 1 ATOM 1783 C CG . GLN A 1 224 ? 30.335 -42.997 -26.416 1.00 15.87 ? 306 GLN A CG 1 ATOM 1784 C CD . GLN A 1 224 ? 31.773 -42.546 -26.557 1.00 27.83 ? 306 GLN A CD 1 ATOM 1785 O OE1 . GLN A 1 224 ? 32.387 -42.718 -27.606 1.00 29.34 ? 306 GLN A OE1 1 ATOM 1786 N NE2 . GLN A 1 224 ? 32.320 -41.970 -25.491 1.00 28.44 ? 306 GLN A NE2 1 ATOM 1787 N N . ILE A 1 225 ? 26.007 -41.255 -26.908 1.00 12.14 ? 307 ILE A N 1 ATOM 1788 C CA . ILE A 1 225 ? 24.894 -40.432 -27.363 1.00 11.92 ? 307 ILE A CA 1 ATOM 1789 C C . ILE A 1 225 ? 24.921 -39.034 -26.750 1.00 12.17 ? 307 ILE A C 1 ATOM 1790 O O . ILE A 1 225 ? 25.077 -38.876 -25.534 1.00 13.77 ? 307 ILE A O 1 ATOM 1791 C CB . ILE A 1 225 ? 23.545 -41.107 -27.019 1.00 12.59 ? 307 ILE A CB 1 ATOM 1792 C CG1 . ILE A 1 225 ? 23.504 -42.528 -27.603 1.00 12.02 ? 307 ILE A CG1 1 ATOM 1793 C CG2 . ILE A 1 225 ? 22.378 -40.256 -27.526 1.00 10.15 ? 307 ILE A CG2 1 ATOM 1794 C CD1 . ILE A 1 225 ? 22.357 -43.418 -27.060 1.00 8.90 ? 307 ILE A CD1 1 ATOM 1795 N N . ASP A 1 226 ? 24.778 -38.026 -27.604 1.00 13.98 ? 308 ASP A N 1 ATOM 1796 C CA . ASP A 1 226 ? 24.597 -36.641 -27.177 1.00 13.74 ? 308 ASP A CA 1 ATOM 1797 C C . ASP A 1 226 ? 23.094 -36.389 -27.192 1.00 14.36 ? 308 ASP A C 1 ATOM 1798 O O . ASP A 1 226 ? 22.502 -36.288 -28.262 1.00 10.86 ? 308 ASP A O 1 ATOM 1799 C CB . ASP A 1 226 ? 25.299 -35.715 -28.180 1.00 14.97 ? 308 ASP A CB 1 ATOM 1800 C CG . ASP A 1 226 ? 25.153 -34.232 -27.849 1.00 15.60 ? 308 ASP A CG 1 ATOM 1801 O OD1 . ASP A 1 226 ? 24.255 -33.839 -27.074 1.00 15.82 ? 308 ASP A OD1 1 ATOM 1802 O OD2 . ASP A 1 226 ? 25.947 -33.435 -28.397 1.00 18.15 ? 308 ASP A OD2 1 ATOM 1803 N N . PRO A 1 227 ? 22.466 -36.291 -26.004 1.00 13.44 ? 309 PRO A N 1 ATOM 1804 C CA . PRO A 1 227 ? 21.005 -36.165 -25.921 1.00 12.15 ? 309 PRO A CA 1 ATOM 1805 C C . PRO A 1 227 ? 20.520 -34.744 -26.184 1.00 13.68 ? 309 PRO A C 1 ATOM 1806 O O . PRO A 1 227 ? 19.310 -34.513 -26.213 1.00 15.34 ? 309 PRO A O 1 ATOM 1807 C CB . PRO A 1 227 ? 20.711 -36.552 -24.467 1.00 11.04 ? 309 PRO A CB 1 ATOM 1808 C CG . PRO A 1 227 ? 21.939 -36.101 -23.728 1.00 12.11 ? 309 PRO A CG 1 ATOM 1809 C CD . PRO A 1 227 ? 23.092 -36.348 -24.671 1.00 13.14 ? 309 PRO A CD 1 ATOM 1810 N N . VAL A 1 228 ? 21.445 -33.801 -26.351 1.00 10.70 ? 310 VAL A N 1 ATOM 1811 C CA . VAL A 1 228 ? 21.069 -32.424 -26.674 1.00 14.67 ? 310 VAL A CA 1 ATOM 1812 C C . VAL A 1 228 ? 20.987 -32.247 -28.191 1.00 16.68 ? 310 VAL A C 1 ATOM 1813 O O . VAL A 1 228 ? 19.970 -31.811 -28.727 1.00 15.96 ? 310 VAL A O 1 ATOM 1814 C CB . VAL A 1 228 ? 22.051 -31.407 -26.061 1.00 14.33 ? 310 VAL A CB 1 ATOM 1815 C CG1 . VAL A 1 228 ? 21.678 -29.981 -26.474 1.00 17.84 ? 310 VAL A CG1 1 ATOM 1816 C CG2 . VAL A 1 228 ? 22.062 -31.535 -24.551 1.00 15.00 ? 310 VAL A CG2 1 ATOM 1817 N N . ALA A 1 229 ? 22.061 -32.609 -28.881 1.00 14.53 ? 311 ALA A N 1 ATOM 1818 C CA . ALA A 1 229 ? 22.083 -32.577 -30.337 1.00 16.23 ? 311 ALA A CA 1 ATOM 1819 C C . ALA A 1 229 ? 21.285 -33.738 -30.919 1.00 14.87 ? 311 ALA A C 1 ATOM 1820 O O . ALA A 1 229 ? 20.898 -33.714 -32.093 1.00 16.27 ? 311 ALA A O 1 ATOM 1821 C CB . ALA A 1 229 ? 23.517 -32.615 -30.845 1.00 19.49 ? 311 ALA A CB 1 ATOM 1822 N N . MET A 1 230 ? 21.042 -34.750 -30.084 1.00 12.60 ? 312 MET A N 1 ATOM 1823 C CA . MET A 1 230 ? 20.395 -35.995 -30.510 1.00 11.60 ? 312 MET A CA 1 ATOM 1824 C C . MET A 1 230 ? 21.167 -36.686 -31.634 1.00 14.90 ? 312 MET A C 1 ATOM 1825 O O . MET A 1 230 ? 20.617 -37.017 -32.690 1.00 13.10 ? 312 MET A O 1 ATOM 1826 C CB . MET A 1 230 ? 18.913 -35.775 -30.848 1.00 12.66 ? 312 MET A CB 1 ATOM 1827 C CG . MET A 1 230 ? 18.130 -35.231 -29.650 1.00 13.50 ? 312 MET A CG 1 ATOM 1828 S SD . MET A 1 230 ? 16.349 -35.083 -29.899 1.00 16.76 ? 312 MET A SD 1 ATOM 1829 C CE . MET A 1 230 ? 16.294 -33.868 -31.210 1.00 22.97 ? 312 MET A CE 1 ATOM 1830 N N . THR A 1 231 ? 22.456 -36.903 -31.381 1.00 13.01 ? 313 THR A N 1 ATOM 1831 C CA . THR A 1 231 ? 23.341 -37.583 -32.322 1.00 12.08 ? 313 THR A CA 1 ATOM 1832 C C . THR A 1 231 ? 24.130 -38.634 -31.556 1.00 13.29 ? 313 THR A C 1 ATOM 1833 O O . THR A 1 231 ? 24.151 -38.627 -30.324 1.00 14.73 ? 313 THR A O 1 ATOM 1834 C CB . THR A 1 231 ? 24.325 -36.597 -32.986 1.00 14.38 ? 313 THR A CB 1 ATOM 1835 O OG1 . THR A 1 231 ? 25.036 -35.870 -31.973 1.00 17.17 ? 313 THR A OG1 1 ATOM 1836 C CG2 . THR A 1 231 ? 23.572 -35.608 -33.863 1.00 20.59 ? 313 THR A CG2 1 ATOM 1837 N N . HIS A 1 232 ? 24.783 -39.538 -32.274 1.00 12.15 ? 314 HIS A N 1 ATOM 1838 C CA . HIS A 1 232 ? 25.548 -40.580 -31.603 1.00 12.60 ? 314 HIS A CA 1 ATOM 1839 C C . HIS A 1 232 ? 26.740 -41.013 -32.441 1.00 12.68 ? 314 HIS A C 1 ATOM 1840 O O . HIS A 1 232 ? 26.808 -40.724 -33.640 1.00 14.80 ? 314 HIS A O 1 ATOM 1841 C CB . HIS A 1 232 ? 24.656 -41.798 -31.339 1.00 11.09 ? 314 HIS A CB 1 ATOM 1842 C CG . HIS A 1 232 ? 24.378 -42.607 -32.567 1.00 12.48 ? 314 HIS A CG 1 ATOM 1843 N ND1 . HIS A 1 232 ? 23.410 -42.260 -33.485 1.00 13.70 ? 314 HIS A ND1 1 ATOM 1844 C CD2 . HIS A 1 232 ? 24.954 -43.741 -33.035 1.00 10.38 ? 314 HIS A CD2 1 ATOM 1845 C CE1 . HIS A 1 232 ? 23.396 -43.149 -34.464 1.00 15.76 ? 314 HIS A CE1 1 ATOM 1846 N NE2 . HIS A 1 232 ? 24.325 -44.056 -34.216 1.00 12.68 ? 314 HIS A NE2 1 ATOM 1847 N N . THR A 1 233 ? 27.677 -41.708 -31.802 1.00 11.75 ? 315 THR A N 1 ATOM 1848 C CA . THR A 1 233 ? 28.756 -42.395 -32.497 1.00 14.06 ? 315 THR A CA 1 ATOM 1849 C C . THR A 1 233 ? 28.771 -43.830 -31.979 1.00 13.25 ? 315 THR A C 1 ATOM 1850 O O . THR A 1 233 ? 28.097 -44.145 -30.989 1.00 12.12 ? 315 THR A O 1 ATOM 1851 C CB . THR A 1 233 ? 30.123 -41.744 -32.215 1.00 17.44 ? 315 THR A CB 1 ATOM 1852 O OG1 . THR A 1 233 ? 30.364 -41.732 -30.800 1.00 21.06 ? 315 THR A OG1 1 ATOM 1853 C CG2 . THR A 1 233 ? 30.156 -40.315 -32.721 1.00 24.65 ? 315 THR A CG2 1 ATOM 1854 N N . SER A 1 234 ? 29.530 -44.706 -32.630 1.00 11.82 ? 316 SER A N 1 ATOM 1855 C CA . SER A 1 234 ? 29.736 -46.038 -32.070 1.00 10.92 ? 316 SER A CA 1 ATOM 1856 C C . SER A 1 234 ? 31.122 -46.579 -32.391 1.00 13.72 ? 316 SER A C 1 ATOM 1857 O O . SER A 1 234 ? 31.755 -46.175 -33.372 1.00 12.95 ? 316 SER A O 1 ATOM 1858 C CB . SER A 1 234 ? 28.665 -47.028 -32.535 1.00 9.65 ? 316 SER A CB 1 ATOM 1859 O OG . SER A 1 234 ? 28.905 -47.485 -33.855 1.00 11.70 ? 316 SER A OG 1 ATOM 1860 N N . GLN A 1 235 ? 31.590 -47.479 -31.535 1.00 12.63 ? 317 GLN A N 1 ATOM 1861 C CA . GLN A 1 235 ? 32.822 -48.229 -31.770 1.00 10.24 ? 317 GLN A CA 1 ATOM 1862 C C . GLN A 1 235 ? 32.774 -49.458 -30.867 1.00 13.74 ? 317 GLN A C 1 ATOM 1863 O O . GLN A 1 235 ? 31.686 -49.886 -30.478 1.00 12.19 ? 317 GLN A O 1 ATOM 1864 C CB . GLN A 1 235 ? 34.053 -47.367 -31.477 1.00 10.12 ? 317 GLN A CB 1 ATOM 1865 C CG . GLN A 1 235 ? 34.175 -46.882 -30.044 1.00 11.98 ? 317 GLN A CG 1 ATOM 1866 C CD . GLN A 1 235 ? 35.479 -46.145 -29.808 1.00 20.20 ? 317 GLN A CD 1 ATOM 1867 O OE1 . GLN A 1 235 ? 35.566 -44.935 -30.026 1.00 15.52 ? 317 GLN A OE1 1 ATOM 1868 N NE2 . GLN A 1 235 ? 36.505 -46.874 -29.376 1.00 13.95 ? 317 GLN A NE2 1 ATOM 1869 N N . TYR A 1 236 ? 33.930 -50.040 -30.552 1.00 11.61 ? 318 TYR A N 1 ATOM 1870 C CA . TYR A 1 236 ? 34.002 -51.107 -29.550 1.00 11.56 ? 318 TYR A CA 1 ATOM 1871 C C . TYR A 1 236 ? 34.901 -50.649 -28.410 1.00 11.62 ? 318 TYR A C 1 ATOM 1872 O O . TYR A 1 236 ? 35.691 -49.721 -28.579 1.00 12.50 ? 318 TYR A O 1 ATOM 1873 C CB . TYR A 1 236 ? 34.599 -52.386 -30.147 1.00 10.77 ? 318 TYR A CB 1 ATOM 1874 C CG . TYR A 1 236 ? 33.706 -53.118 -31.112 1.00 10.90 ? 318 TYR A CG 1 ATOM 1875 C CD1 . TYR A 1 236 ? 33.597 -52.705 -32.434 1.00 9.38 ? 318 TYR A CD1 1 ATOM 1876 C CD2 . TYR A 1 236 ? 32.983 -54.235 -30.707 1.00 10.08 ? 318 TYR A CD2 1 ATOM 1877 C CE1 . TYR A 1 236 ? 32.782 -53.382 -33.332 1.00 12.41 ? 318 TYR A CE1 1 ATOM 1878 C CE2 . TYR A 1 236 ? 32.159 -54.919 -31.597 1.00 11.26 ? 318 TYR A CE2 1 ATOM 1879 C CZ . TYR A 1 236 ? 32.064 -54.483 -32.906 1.00 12.39 ? 318 TYR A CZ 1 ATOM 1880 O OH . TYR A 1 236 ? 31.256 -55.154 -33.800 1.00 12.62 ? 318 TYR A OH 1 ATOM 1881 N N . ILE A 1 237 ? 34.783 -51.290 -27.248 1.00 11.19 ? 319 ILE A N 1 ATOM 1882 C CA . ILE A 1 237 ? 35.802 -51.124 -26.219 1.00 10.31 ? 319 ILE A CA 1 ATOM 1883 C C . ILE A 1 237 ? 37.140 -51.626 -26.792 1.00 9.44 ? 319 ILE A C 1 ATOM 1884 O O . ILE A 1 237 ? 37.258 -52.799 -27.162 1.00 13.94 ? 319 ILE A O 1 ATOM 1885 C CB . ILE A 1 237 ? 35.451 -51.906 -24.937 1.00 11.72 ? 319 ILE A CB 1 ATOM 1886 C CG1 . ILE A 1 237 ? 34.093 -51.450 -24.391 1.00 12.68 ? 319 ILE A CG1 1 ATOM 1887 C CG2 . ILE A 1 237 ? 36.531 -51.717 -23.875 1.00 12.41 ? 319 ILE A CG2 1 ATOM 1888 C CD1 . ILE A 1 237 ? 33.625 -52.236 -23.170 1.00 14.19 ? 319 ILE A CD1 1 ATOM 1889 N N . CYS A 1 238 ? 38.128 -50.728 -26.870 1.00 12.00 ? 320 CYS A N 1 ATOM 1890 C CA . CYS A 1 238 ? 39.453 -51.037 -27.439 1.00 15.90 ? 320 CYS A CA 1 ATOM 1891 C C . CYS A 1 238 ? 40.245 -52.074 -26.650 1.00 12.36 ? 320 CYS A C 1 ATOM 1892 O O . CYS A 1 238 ? 41.064 -52.796 -27.217 1.00 12.75 ? 320 CYS A O 1 ATOM 1893 C CB . CYS A 1 238 ? 40.319 -49.770 -27.540 1.00 12.49 ? 320 CYS A CB 1 ATOM 1894 S SG . CYS A 1 238 ? 39.822 -48.563 -28.805 1.00 17.21 ? 320 CYS A SG 1 ATOM 1895 N N . SER A 1 239 ? 40.011 -52.131 -25.342 1.00 12.47 ? 321 SER A N 1 ATOM 1896 C CA . SER A 1 239 ? 40.789 -52.991 -24.448 1.00 13.41 ? 321 SER A CA 1 ATOM 1897 C C . SER A 1 239 ? 40.799 -54.465 -24.843 1.00 11.08 ? 321 SER A C 1 ATOM 1898 O O . SER A 1 239 ? 39.777 -55.006 -25.269 1.00 12.60 ? 321 SER A O 1 ATOM 1899 C CB . SER A 1 239 ? 40.240 -52.875 -23.026 1.00 10.33 ? 321 SER A CB 1 ATOM 1900 O OG . SER A 1 239 ? 40.995 -53.661 -22.129 1.00 9.41 ? 321 SER A OG 1 ATOM 1901 N N . PRO A 1 240 ? 41.953 -55.133 -24.668 1.00 11.46 ? 322 PRO A N 1 ATOM 1902 C CA . PRO A 1 240 ? 42.055 -56.583 -24.853 1.00 13.17 ? 322 PRO A CA 1 ATOM 1903 C C . PRO A 1 240 ? 41.454 -57.358 -23.681 1.00 12.05 ? 322 PRO A C 1 ATOM 1904 O O . PRO A 1 240 ? 41.416 -58.593 -23.720 1.00 11.77 ? 322 PRO A O 1 ATOM 1905 C CB . PRO A 1 240 ? 43.567 -56.819 -24.916 1.00 13.47 ? 322 PRO A CB 1 ATOM 1906 C CG . PRO A 1 240 ? 44.137 -55.734 -24.069 1.00 12.08 ? 322 PRO A CG 1 ATOM 1907 C CD . PRO A 1 240 ? 43.258 -54.531 -24.336 1.00 12.64 ? 322 PRO A CD 1 ATOM 1908 N N . VAL A 1 241 ? 40.981 -56.654 -22.656 1.00 10.40 ? 323 VAL A N 1 ATOM 1909 C CA . VAL A 1 241 ? 40.207 -57.314 -21.607 1.00 12.90 ? 323 VAL A CA 1 ATOM 1910 C C . VAL A 1 241 ? 38.794 -57.501 -22.153 1.00 11.86 ? 323 VAL A C 1 ATOM 1911 O O . VAL A 1 241 ? 37.974 -56.573 -22.121 1.00 12.95 ? 323 VAL A O 1 ATOM 1912 C CB . VAL A 1 241 ? 40.195 -56.497 -20.303 1.00 12.22 ? 323 VAL A CB 1 ATOM 1913 C CG1 . VAL A 1 241 ? 39.395 -57.214 -19.220 1.00 11.89 ? 323 VAL A CG1 1 ATOM 1914 C CG2 . VAL A 1 241 ? 41.619 -56.263 -19.827 1.00 10.72 ? 323 VAL A CG2 1 ATOM 1915 N N . LEU A 1 242 ? 38.533 -58.686 -22.702 1.00 10.04 ? 324 LEU A N 1 ATOM 1916 C CA . LEU A 1 242 ? 37.283 -58.952 -23.417 1.00 12.00 ? 324 LEU A CA 1 ATOM 1917 C C . LEU A 1 242 ? 36.159 -59.232 -22.427 1.00 10.88 ? 324 LEU A C 1 ATOM 1918 O O . LEU A 1 242 ? 36.361 -59.928 -21.426 1.00 11.10 ? 324 LEU A O 1 ATOM 1919 C CB . LEU A 1 242 ? 37.459 -60.150 -24.356 1.00 10.61 ? 324 LEU A CB 1 ATOM 1920 C CG . LEU A 1 242 ? 38.597 -60.022 -25.373 1.00 11.07 ? 324 LEU A CG 1 ATOM 1921 C CD1 . LEU A 1 242 ? 38.690 -61.276 -26.226 1.00 11.76 ? 324 LEU A CD1 1 ATOM 1922 C CD2 . LEU A 1 242 ? 38.392 -58.792 -26.239 1.00 11.28 ? 324 LEU A CD2 1 ATOM 1923 N N . THR A 1 243 ? 34.963 -58.716 -22.697 1.00 11.58 ? 325 THR A N 1 ATOM 1924 C CA . THR A 1 243 ? 33.921 -58.798 -21.674 1.00 11.83 ? 325 THR A CA 1 ATOM 1925 C C . THR A 1 243 ? 32.578 -59.388 -22.100 1.00 11.75 ? 325 THR A C 1 ATOM 1926 O O . THR A 1 243 ? 31.619 -59.340 -21.331 1.00 12.14 ? 325 THR A O 1 ATOM 1927 C CB . THR A 1 243 ? 33.695 -57.441 -20.972 1.00 11.64 ? 325 THR A CB 1 ATOM 1928 O OG1 . THR A 1 243 ? 33.176 -56.492 -21.905 1.00 9.32 ? 325 THR A OG1 1 ATOM 1929 C CG2 . THR A 1 243 ? 35.004 -56.903 -20.386 1.00 9.87 ? 325 THR A CG2 1 ATOM 1930 N N . ASP A 1 244 ? 32.506 -59.977 -23.285 1.00 8.28 ? 326 ASP A N 1 ATOM 1931 C CA . ASP A 1 244 ? 31.257 -60.602 -23.689 1.00 8.29 ? 326 ASP A CA 1 ATOM 1932 C C . ASP A 1 244 ? 31.400 -62.124 -23.081 1.00 11.48 ? 326 ASP A C 1 ATOM 1933 O O . ASP A 1 244 ? 32.408 -62.474 -22.466 1.00 11.55 ? 326 ASP A O 1 ATOM 1934 C CB . ASP A 1 244 ? 31.053 -60.595 -25.175 1.00 10.49 ? 326 ASP A CB 1 ATOM 1935 C CG . ASP A 1 244 ? 29.632 -60.922 -25.547 1.00 14.77 ? 326 ASP A CG 1 ATOM 1936 O OD1 . ASP A 1 244 ? 28.826 -61.252 -24.644 1.00 9.53 ? 326 ASP A OD1 1 ATOM 1937 O OD2 . ASP A 1 244 ? 29.324 -60.848 -26.751 1.00 18.15 ? 326 ASP A OD2 1 ATOM 1938 N N . ASN A 1 245 ? 30.368 -62.928 -23.308 1.00 8.34 ? 327 ASN A N 1 ATOM 1939 C CA . ASN A 1 245 ? 30.394 -64.342 -22.943 1.00 10.21 ? 327 ASN A CA 1 ATOM 1940 C C . ASN A 1 245 ? 29.476 -65.118 -23.871 1.00 11.20 ? 327 ASN A C 1 ATOM 1941 O O . ASN A 1 245 ? 28.347 -64.702 -24.096 1.00 9.97 ? 327 ASN A O 1 ATOM 1942 C CB . ASN A 1 245 ? 29.953 -64.551 -21.492 1.00 11.33 ? 327 ASN A CB 1 ATOM 1943 C CG . ASN A 1 245 ? 29.921 -66.023 -21.100 1.00 13.97 ? 327 ASN A CG 1 ATOM 1944 O OD1 . ASN A 1 245 ? 28.870 -66.667 -21.149 1.00 11.49 ? 327 ASN A OD1 1 ATOM 1945 N ND2 . ASN A 1 245 ? 31.076 -66.561 -20.698 1.00 11.66 ? 327 ASN A ND2 1 ATOM 1946 N N . PRO A 1 246 ? 29.946 -66.246 -24.421 1.00 11.66 ? 328 PRO A N 1 ATOM 1947 C CA . PRO A 1 246 ? 31.298 -66.800 -24.305 1.00 10.70 ? 328 PRO A CA 1 ATOM 1948 C C . PRO A 1 246 ? 32.282 -65.899 -25.042 1.00 12.44 ? 328 PRO A C 1 ATOM 1949 O O . PRO A 1 246 ? 31.851 -64.961 -25.726 1.00 13.52 ? 328 PRO A O 1 ATOM 1950 C CB . PRO A 1 246 ? 31.181 -68.151 -25.019 1.00 13.80 ? 328 PRO A CB 1 ATOM 1951 C CG . PRO A 1 246 ? 30.078 -67.951 -26.007 1.00 14.58 ? 328 PRO A CG 1 ATOM 1952 C CD . PRO A 1 246 ? 29.091 -67.056 -25.311 1.00 15.87 ? 328 PRO A CD 1 ATOM 1953 N N . ARG A 1 247 ? 33.574 -66.162 -24.891 1.00 11.27 ? 329 ARG A N 1 ATOM 1954 C CA . ARG A 1 247 ? 34.590 -65.284 -25.459 1.00 9.45 ? 329 ARG A CA 1 ATOM 1955 C C . ARG A 1 247 ? 35.931 -66.004 -25.513 1.00 13.76 ? 329 ARG A C 1 ATOM 1956 O O . ARG A 1 247 ? 36.155 -66.969 -24.777 1.00 11.65 ? 329 ARG A O 1 ATOM 1957 C CB . ARG A 1 247 ? 34.733 -64.011 -24.616 1.00 9.49 ? 329 ARG A CB 1 ATOM 1958 C CG . ARG A 1 247 ? 35.110 -64.275 -23.164 1.00 11.21 ? 329 ARG A CG 1 ATOM 1959 C CD . ARG A 1 247 ? 35.502 -63.000 -22.414 1.00 11.85 ? 329 ARG A CD 1 ATOM 1960 N NE . ARG A 1 247 ? 36.056 -63.318 -21.095 1.00 9.47 ? 329 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 247 ? 35.336 -63.436 -19.980 1.00 12.06 ? 329 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 247 ? 34.023 -63.234 -19.993 1.00 10.26 ? 329 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 247 ? 35.936 -63.748 -18.841 1.00 9.64 ? 329 ARG A NH2 1 ATOM 1964 N N . PRO A 1 248 ? 36.831 -65.537 -26.389 1.00 13.29 ? 330 PRO A N 1 ATOM 1965 C CA . PRO A 1 248 ? 38.195 -66.062 -26.401 1.00 14.20 ? 330 PRO A CA 1 ATOM 1966 C C . PRO A 1 248 ? 38.939 -65.615 -25.158 1.00 14.80 ? 330 PRO A C 1 ATOM 1967 O O . PRO A 1 248 ? 38.441 -64.784 -24.392 1.00 15.17 ? 330 PRO A O 1 ATOM 1968 C CB . PRO A 1 248 ? 38.826 -65.373 -27.620 1.00 14.39 ? 330 PRO A CB 1 ATOM 1969 C CG . PRO A 1 248 ? 37.666 -64.936 -28.471 1.00 16.72 ? 330 PRO A CG 1 ATOM 1970 C CD . PRO A 1 248 ? 36.606 -64.571 -27.479 1.00 12.93 ? 330 PRO A CD 1 ATOM 1971 N N . ASN A 1 249 ? 40.127 -66.165 -24.951 1.00 12.76 ? 331 ASN A N 1 ATOM 1972 C CA . ASN A 1 249 ? 40.990 -65.659 -23.899 1.00 12.81 ? 331 ASN A CA 1 ATOM 1973 C C . ASN A 1 249 ? 41.485 -64.250 -24.219 1.00 13.79 ? 331 ASN A C 1 ATOM 1974 O O . ASN A 1 249 ? 41.522 -63.855 -25.387 1.00 14.32 ? 331 ASN A O 1 ATOM 1975 C CB . ASN A 1 249 ? 42.164 -66.617 -23.668 1.00 15.72 ? 331 ASN A CB 1 ATOM 1976 C CG . ASN A 1 249 ? 41.734 -67.909 -22.999 1.00 19.62 ? 331 ASN A CG 1 ATOM 1977 O OD1 . ASN A 1 249 ? 41.002 -67.894 -22.010 1.00 19.02 ? 331 ASN A OD1 1 ATOM 1978 N ND2 . ASN A 1 249 ? 42.169 -69.033 -23.545 1.00 21.46 ? 331 ASN A ND2 1 ATOM 1979 N N . ASP A 1 250 ? 41.862 -63.497 -23.190 1.00 9.78 ? 332 ASP A N 1 ATOM 1980 C CA . ASP A 1 250 ? 42.321 -62.126 -23.391 1.00 11.97 ? 332 ASP A CA 1 ATOM 1981 C C . ASP A 1 250 ? 43.644 -62.088 -24.153 1.00 14.69 ? 332 ASP A C 1 ATOM 1982 O O . ASP A 1 250 ? 44.625 -62.693 -23.722 1.00 15.60 ? 332 ASP A O 1 ATOM 1983 C CB . ASP A 1 250 ? 42.510 -61.414 -22.052 1.00 15.56 ? 332 ASP A CB 1 ATOM 1984 C CG . ASP A 1 250 ? 41.202 -61.134 -21.342 1.00 16.54 ? 332 ASP A CG 1 ATOM 1985 O OD1 . ASP A 1 250 ? 40.134 -61.189 -21.992 1.00 14.23 ? 332 ASP A OD1 1 ATOM 1986 O OD2 . ASP A 1 250 ? 41.257 -60.844 -20.129 1.00 15.59 ? 332 ASP A OD2 1 ATOM 1987 N N . PRO A 1 251 ? 43.671 -61.368 -25.285 1.00 11.58 ? 333 PRO A N 1 ATOM 1988 C CA . PRO A 1 251 ? 44.920 -61.107 -26.008 1.00 14.78 ? 333 PRO A CA 1 ATOM 1989 C C . PRO A 1 251 ? 45.663 -59.926 -25.376 1.00 14.67 ? 333 PRO A C 1 ATOM 1990 O O . PRO A 1 251 ? 45.320 -59.532 -24.259 1.00 12.20 ? 333 PRO A O 1 ATOM 1991 C CB . PRO A 1 251 ? 44.423 -60.718 -27.398 1.00 14.47 ? 333 PRO A CB 1 ATOM 1992 C CG . PRO A 1 251 ? 43.140 -59.991 -27.123 1.00 12.64 ? 333 PRO A CG 1 ATOM 1993 C CD . PRO A 1 251 ? 42.508 -60.764 -25.964 1.00 8.84 ? 333 PRO A CD 1 ATOM 1994 N N . ASN A 1 252 ? 46.662 -59.375 -26.071 1.00 12.51 ? 334 ASN A N 1 ATOM 1995 C CA . ASN A 1 252 ? 47.359 -58.176 -25.590 1.00 11.73 ? 334 ASN A CA 1 ATOM 1996 C C . ASN A 1 252 ? 47.046 -56.946 -26.429 1.00 11.52 ? 334 ASN A C 1 ATOM 1997 O O . ASN A 1 252 ? 47.420 -55.821 -26.062 1.00 13.19 ? 334 ASN A O 1 ATOM 1998 C CB . ASN A 1 252 ? 48.875 -58.395 -25.529 1.00 14.33 ? 334 ASN A CB 1 ATOM 1999 C CG . ASN A 1 252 ? 49.287 -59.292 -24.380 1.00 19.81 ? 334 ASN A CG 1 ATOM 2000 O OD1 . ASN A 1 252 ? 48.496 -59.561 -23.474 1.00 17.32 ? 334 ASN A OD1 1 ATOM 2001 N ND2 . ASN A 1 252 ? 50.533 -59.748 -24.402 1.00 14.64 ? 334 ASN A ND2 1 ATOM 2002 N N . ILE A 1 253 ? 46.372 -57.167 -27.555 1.00 12.93 ? 335 ILE A N 1 ATOM 2003 C CA . ILE A 1 253 ? 45.859 -56.074 -28.379 1.00 14.17 ? 335 ILE A CA 1 ATOM 2004 C C . ILE A 1 253 ? 44.368 -56.307 -28.619 1.00 14.71 ? 335 ILE A C 1 ATOM 2005 O O . ILE A 1 253 ? 43.970 -57.367 -29.105 1.00 12.88 ? 335 ILE A O 1 ATOM 2006 C CB . ILE A 1 253 ? 46.586 -55.977 -29.739 1.00 13.80 ? 335 ILE A CB 1 ATOM 2007 C CG1 . ILE A 1 253 ? 48.103 -55.861 -29.550 1.00 15.25 ? 335 ILE A CG1 1 ATOM 2008 C CG2 . ILE A 1 253 ? 46.082 -54.772 -30.534 1.00 12.98 ? 335 ILE A CG2 1 ATOM 2009 C CD1 . ILE A 1 253 ? 48.859 -55.689 -30.869 1.00 15.83 ? 335 ILE A CD1 1 ATOM 2010 N N . GLY A 1 254 ? 43.542 -55.331 -28.246 1.00 12.50 ? 336 GLY A N 1 ATOM 2011 C CA . GLY A 1 254 ? 42.113 -55.419 -28.504 1.00 12.57 ? 336 GLY A CA 1 ATOM 2012 C C . GLY A 1 254 ? 41.747 -54.846 -29.860 1.00 14.97 ? 336 GLY A C 1 ATOM 2013 O O . GLY A 1 254 ? 42.614 -54.640 -30.713 1.00 13.39 ? 336 GLY A O 1 ATOM 2014 N N . LYS A 1 255 ? 40.461 -54.585 -30.063 1.00 11.98 ? 337 LYS A N 1 ATOM 2015 C CA . LYS A 1 255 ? 39.981 -54.066 -31.336 1.00 11.36 ? 337 LYS A CA 1 ATOM 2016 C C . LYS A 1 255 ? 39.006 -52.924 -31.084 1.00 18.14 ? 337 LYS A C 1 ATOM 2017 O O . LYS A 1 255 ? 38.009 -53.100 -30.381 1.00 14.64 ? 337 LYS A O 1 ATOM 2018 C CB . LYS A 1 255 ? 39.312 -55.181 -32.144 1.00 13.41 ? 337 LYS A CB 1 ATOM 2019 C CG . LYS A 1 255 ? 40.279 -56.221 -32.699 1.00 15.75 ? 337 LYS A CG 1 ATOM 2020 C CD . LYS A 1 255 ? 40.990 -55.713 -33.959 1.00 19.39 ? 337 LYS A CD 1 ATOM 2021 C CE . LYS A 1 255 ? 40.102 -55.859 -35.201 1.00 15.30 ? 337 LYS A CE 1 ATOM 2022 N NZ . LYS A 1 255 ? 40.764 -55.314 -36.437 1.00 17.07 ? 337 LYS A NZ 1 ATOM 2023 N N . CYS A 1 256 ? 39.304 -51.757 -31.652 1.00 11.81 ? 338 CYS A N 1 ATOM 2024 C CA . CYS A 1 256 ? 38.494 -50.558 -31.437 1.00 14.70 ? 338 CYS A CA 1 ATOM 2025 C C . CYS A 1 256 ? 37.325 -50.443 -32.406 1.00 17.41 ? 338 CYS A C 1 ATOM 2026 O O . CYS A 1 256 ? 36.281 -49.880 -32.064 1.00 13.50 ? 338 CYS A O 1 ATOM 2027 C CB . CYS A 1 256 ? 39.348 -49.302 -31.616 1.00 15.91 ? 338 CYS A CB 1 ATOM 2028 S SG . CYS A 1 256 ? 40.764 -49.153 -30.507 1.00 19.31 ? 338 CYS A SG 1 ATOM 2029 N N . ASN A 1 257 ? 37.510 -50.944 -33.624 1.00 12.03 ? 339 ASN A N 1 ATOM 2030 C CA . ASN A 1 257 ? 36.587 -50.622 -34.707 1.00 14.78 ? 339 ASN A CA 1 ATOM 2031 C C . ASN A 1 257 ? 36.067 -51.829 -35.471 1.00 13.67 ? 339 ASN A C 1 ATOM 2032 O O . ASN A 1 257 ? 35.574 -51.702 -36.592 1.00 13.83 ? 339 ASN A O 1 ATOM 2033 C CB . ASN A 1 257 ? 37.239 -49.608 -35.656 1.00 14.12 ? 339 ASN A CB 1 ATOM 2034 C CG . ASN A 1 257 ? 37.478 -48.275 -34.987 1.00 18.59 ? 339 ASN A CG 1 ATOM 2035 O OD1 . ASN A 1 257 ? 36.531 -47.605 -34.567 1.00 17.63 ? 339 ASN A OD1 1 ATOM 2036 N ND2 . ASN A 1 257 ? 38.747 -47.884 -34.865 1.00 19.60 ? 339 ASN A ND2 1 ATOM 2037 N N . ASP A 1 258 ? 36.158 -52.995 -34.844 1.00 13.70 ? 340 ASP A N 1 ATOM 2038 C CA . ASP A 1 258 ? 35.695 -54.232 -35.448 1.00 12.91 ? 340 ASP A CA 1 ATOM 2039 C C . ASP A 1 258 ? 35.566 -55.285 -34.359 1.00 11.81 ? 340 ASP A C 1 ATOM 2040 O O . ASP A 1 258 ? 36.156 -55.141 -33.282 1.00 11.95 ? 340 ASP A O 1 ATOM 2041 C CB . ASP A 1 258 ? 36.677 -54.699 -36.537 1.00 14.20 ? 340 ASP A CB 1 ATOM 2042 C CG . ASP A 1 258 ? 36.191 -54.382 -37.952 1.00 22.26 ? 340 ASP A CG 1 ATOM 2043 O OD1 . ASP A 1 258 ? 34.964 -54.389 -38.195 1.00 15.38 ? 340 ASP A OD1 1 ATOM 2044 O OD2 . ASP A 1 258 ? 37.047 -54.129 -38.829 1.00 19.55 ? 340 ASP A OD2 1 ATOM 2045 N N . PRO A 1 259 ? 34.779 -56.338 -34.624 1.00 13.52 ? 341 PRO A N 1 ATOM 2046 C CA . PRO A 1 259 ? 34.643 -57.423 -33.652 1.00 15.17 ? 341 PRO A CA 1 ATOM 2047 C C . PRO A 1 259 ? 35.958 -58.148 -33.406 1.00 15.92 ? 341 PRO A C 1 ATOM 2048 O O . PRO A 1 259 ? 36.695 -58.418 -34.360 1.00 15.51 ? 341 PRO A O 1 ATOM 2049 C CB . PRO A 1 259 ? 33.667 -58.380 -34.342 1.00 14.08 ? 341 PRO A CB 1 ATOM 2050 C CG . PRO A 1 259 ? 33.742 -58.044 -35.795 1.00 15.73 ? 341 PRO A CG 1 ATOM 2051 C CD . PRO A 1 259 ? 33.935 -56.567 -35.812 1.00 13.34 ? 341 PRO A CD 1 ATOM 2052 N N . TYR A 1 260 ? 36.251 -58.450 -32.145 1.00 11.65 ? 342 TYR A N 1 ATOM 2053 C CA . TYR A 1 260 ? 37.329 -59.379 -31.834 1.00 11.94 ? 342 TYR A CA 1 ATOM 2054 C C . TYR A 1 260 ? 36.796 -60.800 -32.003 1.00 13.33 ? 342 TYR A C 1 ATOM 2055 O O . TYR A 1 260 ? 35.819 -61.174 -31.355 1.00 13.92 ? 342 TYR A O 1 ATOM 2056 C CB . TYR A 1 260 ? 37.869 -59.168 -30.417 1.00 12.47 ? 342 TYR A CB 1 ATOM 2057 C CG . TYR A 1 260 ? 39.135 -59.963 -30.216 1.00 11.77 ? 342 TYR A CG 1 ATOM 2058 C CD1 . TYR A 1 260 ? 39.083 -61.267 -29.749 1.00 13.52 ? 342 TYR A CD1 1 ATOM 2059 C CD2 . TYR A 1 260 ? 40.376 -59.428 -30.551 1.00 15.29 ? 342 TYR A CD2 1 ATOM 2060 C CE1 . TYR A 1 260 ? 40.233 -62.017 -29.597 1.00 19.38 ? 342 TYR A CE1 1 ATOM 2061 C CE2 . TYR A 1 260 ? 41.536 -60.173 -30.406 1.00 16.37 ? 342 TYR A CE2 1 ATOM 2062 C CZ . TYR A 1 260 ? 41.451 -61.466 -29.921 1.00 18.79 ? 342 TYR A CZ 1 ATOM 2063 O OH . TYR A 1 260 ? 42.585 -62.229 -29.758 1.00 21.02 ? 342 TYR A OH 1 ATOM 2064 N N . PRO A 1 261 ? 37.440 -61.598 -32.875 1.00 11.46 ? 343 PRO A N 1 ATOM 2065 C CA . PRO A 1 261 ? 36.912 -62.881 -33.364 1.00 12.61 ? 343 PRO A CA 1 ATOM 2066 C C . PRO A 1 261 ? 37.205 -64.088 -32.486 1.00 12.60 ? 343 PRO A C 1 ATOM 2067 O O . PRO A 1 261 ? 38.050 -64.020 -31.592 1.00 14.63 ? 343 PRO A O 1 ATOM 2068 C CB . PRO A 1 261 ? 37.647 -63.060 -34.694 1.00 14.33 ? 343 PRO A CB 1 ATOM 2069 C CG . PRO A 1 261 ? 38.992 -62.435 -34.432 1.00 14.54 ? 343 PRO A CG 1 ATOM 2070 C CD . PRO A 1 261 ? 38.711 -61.239 -33.533 1.00 14.04 ? 343 PRO A CD 1 ATOM 2071 N N . GLY A 1 262 ? 36.513 -65.194 -32.764 1.00 15.22 ? 344 GLY A N 1 ATOM 2072 C CA . GLY A 1 262 ? 36.735 -66.434 -32.048 1.00 12.98 ? 344 GLY A CA 1 ATOM 2073 C C . GLY A 1 262 ? 35.437 -67.095 -31.627 1.00 16.19 ? 344 GLY A C 1 ATOM 2074 O O . GLY A 1 262 ? 35.344 -68.326 -31.565 1.00 14.85 ? 344 GLY A O 1 ATOM 2075 N N . ASN A 1 263 ? 34.440 -66.271 -31.314 1.00 14.48 ? 345 ASN A N 1 ATOM 2076 C CA . ASN A 1 263 ? 33.125 -66.758 -30.901 1.00 11.27 ? 345 ASN A CA 1 ATOM 2077 C C . ASN A 1 263 ? 32.030 -66.068 -31.702 1.00 12.69 ? 345 ASN A C 1 ATOM 2078 O O . ASN A 1 263 ? 31.991 -64.838 -31.773 1.00 14.76 ? 345 ASN A O 1 ATOM 2079 C CB . ASN A 1 263 ? 32.912 -66.522 -29.402 1.00 12.38 ? 345 ASN A CB 1 ATOM 2080 C CG . ASN A 1 263 ? 33.701 -67.489 -28.546 1.00 17.19 ? 345 ASN A CG 1 ATOM 2081 O OD1 . ASN A 1 263 ? 34.871 -67.258 -28.247 1.00 17.51 ? 345 ASN A OD1 1 ATOM 2082 N ND2 . ASN A 1 263 ? 33.065 -68.585 -28.149 1.00 17.35 ? 345 ASN A ND2 1 ATOM 2083 N N . ASN A 1 264 ? 31.141 -66.859 -32.301 1.00 13.90 ? 346 ASN A N 1 ATOM 2084 C CA . ASN A 1 264 ? 30.088 -66.315 -33.156 1.00 17.26 ? 346 ASN A CA 1 ATOM 2085 C C . ASN A 1 264 ? 28.685 -66.648 -32.666 1.00 14.24 ? 346 ASN A C 1 ATOM 2086 O O . ASN A 1 264 ? 28.485 -67.649 -31.978 1.00 12.59 ? 346 ASN A O 1 ATOM 2087 C CB . ASN A 1 264 ? 30.259 -66.830 -34.589 1.00 19.54 ? 346 ASN A CB 1 ATOM 2088 C CG . ASN A 1 264 ? 31.654 -66.583 -35.124 1.00 25.61 ? 346 ASN A CG 1 ATOM 2089 O OD1 . ASN A 1 264 ? 32.013 -65.454 -35.440 1.00 22.50 ? 346 ASN A OD1 1 ATOM 2090 N ND2 . ASN A 1 264 ? 32.455 -67.636 -35.206 1.00 33.15 ? 346 ASN A ND2 1 ATOM 2091 N N . ASN A 1 265 ? 27.722 -65.801 -33.027 1.00 11.44 ? 347 ASN A N 1 ATOM 2092 C CA . ASN A 1 265 ? 26.306 -66.111 -32.839 1.00 11.42 ? 347 ASN A CA 1 ATOM 2093 C C . ASN A 1 265 ? 25.899 -66.387 -31.390 1.00 11.36 ? 347 ASN A C 1 ATOM 2094 O O . ASN A 1 265 ? 25.049 -67.239 -31.127 1.00 14.49 ? 347 ASN A O 1 ATOM 2095 C CB . ASN A 1 265 ? 25.889 -67.274 -33.742 1.00 14.13 ? 347 ASN A CB 1 ATOM 2096 C CG . ASN A 1 265 ? 26.209 -67.022 -35.210 1.00 19.74 ? 347 ASN A CG 1 ATOM 2097 O OD1 . ASN A 1 265 ? 26.489 -65.893 -35.618 1.00 19.72 ? 347 ASN A OD1 1 ATOM 2098 N ND2 . ASN A 1 265 ? 26.147 -68.077 -36.013 1.00 27.05 ? 347 ASN A ND2 1 ATOM 2099 N N . ASN A 1 266 ? 26.517 -65.679 -30.453 1.00 12.21 ? 348 ASN A N 1 ATOM 2100 C CA . ASN A 1 266 ? 26.124 -65.793 -29.051 1.00 10.63 ? 348 ASN A CA 1 ATOM 2101 C C . ASN A 1 266 ? 26.631 -64.583 -28.310 1.00 14.60 ? 348 ASN A C 1 ATOM 2102 O O . ASN A 1 266 ? 27.278 -63.750 -28.908 1.00 11.61 ? 348 ASN A O 1 ATOM 2103 C CB . ASN A 1 266 ? 26.666 -67.071 -28.407 1.00 9.99 ? 348 ASN A CB 1 ATOM 2104 C CG . ASN A 1 266 ? 25.766 -67.581 -27.294 1.00 19.58 ? 348 ASN A CG 1 ATOM 2105 O OD1 . ASN A 1 266 ? 24.878 -66.862 -26.822 1.00 20.15 ? 348 ASN A OD1 1 ATOM 2106 N ND2 . ASN A 1 266 ? 25.992 -68.818 -26.864 1.00 22.73 ? 348 ASN A ND2 1 ATOM 2107 N N . GLY A 1 267 ? 26.336 -64.470 -27.020 1.00 10.67 ? 349 GLY A N 1 ATOM 2108 C CA . GLY A 1 267 ? 26.751 -63.305 -26.261 1.00 9.75 ? 349 GLY A CA 1 ATOM 2109 C C . GLY A 1 267 ? 25.965 -63.238 -24.968 1.00 12.28 ? 349 GLY A C 1 ATOM 2110 O O . GLY A 1 267 ? 25.174 -64.135 -24.689 1.00 10.76 ? 349 GLY A O 1 ATOM 2111 N N . VAL A 1 268 ? 26.197 -62.192 -24.182 1.00 9.51 ? 350 VAL A N 1 ATOM 2112 C CA . VAL A 1 268 ? 25.385 -61.927 -22.997 1.00 7.29 ? 350 VAL A CA 1 ATOM 2113 C C . VAL A 1 268 ? 25.278 -60.413 -22.839 1.00 10.05 ? 350 VAL A C 1 ATOM 2114 O O . VAL A 1 268 ? 26.196 -59.675 -23.221 1.00 10.33 ? 350 VAL A O 1 ATOM 2115 C CB . VAL A 1 268 ? 25.971 -62.622 -21.722 1.00 8.67 ? 350 VAL A CB 1 ATOM 2116 C CG1 . VAL A 1 268 ? 27.231 -61.920 -21.234 1.00 8.77 ? 350 VAL A CG1 1 ATOM 2117 C CG2 . VAL A 1 268 ? 24.940 -62.650 -20.604 1.00 7.59 ? 350 VAL A CG2 1 ATOM 2118 N N . LYS A 1 269 ? 24.148 -59.935 -22.328 1.00 9.27 ? 351 LYS A N 1 ATOM 2119 C CA . LYS A 1 269 ? 24.044 -58.519 -21.993 1.00 8.12 ? 351 LYS A CA 1 ATOM 2120 C C . LYS A 1 269 ? 25.039 -58.205 -20.886 1.00 8.90 ? 351 LYS A C 1 ATOM 2121 O O . LYS A 1 269 ? 25.169 -58.972 -19.928 1.00 9.61 ? 351 LYS A O 1 ATOM 2122 C CB . LYS A 1 269 ? 22.635 -58.174 -21.520 1.00 7.96 ? 351 LYS A CB 1 ATOM 2123 C CG . LYS A 1 269 ? 22.457 -56.720 -21.088 1.00 6.23 ? 351 LYS A CG 1 ATOM 2124 C CD . LYS A 1 269 ? 21.004 -56.475 -20.671 1.00 9.22 ? 351 LYS A CD 1 ATOM 2125 C CE . LYS A 1 269 ? 20.804 -55.079 -20.110 1.00 10.62 ? 351 LYS A CE 1 ATOM 2126 N NZ . LYS A 1 269 ? 21.102 -54.010 -21.112 1.00 7.58 ? 351 LYS A NZ 1 ATOM 2127 N N . GLY A 1 270 ? 25.729 -57.077 -21.022 1.00 8.77 ? 352 GLY A N 1 ATOM 2128 C CA . GLY A 1 270 ? 26.721 -56.651 -20.048 1.00 9.45 ? 352 GLY A CA 1 ATOM 2129 C C . GLY A 1 270 ? 26.824 -55.141 -19.996 1.00 10.32 ? 352 GLY A C 1 ATOM 2130 O O . GLY A 1 270 ? 25.993 -54.428 -20.573 1.00 10.79 ? 352 GLY A O 1 ATOM 2131 N N . PHE A 1 271 ? 27.833 -54.628 -19.298 1.00 10.05 ? 353 PHE A N 1 ATOM 2132 C CA . PHE A 1 271 ? 27.920 -53.182 -19.132 1.00 7.92 ? 353 PHE A CA 1 ATOM 2133 C C . PHE A 1 271 ? 29.351 -52.778 -18.828 1.00 9.44 ? 353 PHE A C 1 ATOM 2134 O O . PHE A 1 271 ? 30.201 -53.627 -18.546 1.00 11.12 ? 353 PHE A O 1 ATOM 2135 C CB . PHE A 1 271 ? 27.029 -52.733 -17.965 1.00 8.63 ? 353 PHE A CB 1 ATOM 2136 C CG . PHE A 1 271 ? 27.631 -53.025 -16.628 1.00 8.84 ? 353 PHE A CG 1 ATOM 2137 C CD1 . PHE A 1 271 ? 27.532 -54.292 -16.080 1.00 10.87 ? 353 PHE A CD1 1 ATOM 2138 C CD2 . PHE A 1 271 ? 28.325 -52.044 -15.934 1.00 9.36 ? 353 PHE A CD2 1 ATOM 2139 C CE1 . PHE A 1 271 ? 28.114 -54.581 -14.860 1.00 10.50 ? 353 PHE A CE1 1 ATOM 2140 C CE2 . PHE A 1 271 ? 28.921 -52.325 -14.722 1.00 10.52 ? 353 PHE A CE2 1 ATOM 2141 C CZ . PHE A 1 271 ? 28.816 -53.601 -14.185 1.00 12.12 ? 353 PHE A CZ 1 ATOM 2142 N N . SER A 1 272 ? 29.606 -51.474 -18.848 1.00 7.89 ? 354 SER A N 1 ATOM 2143 C CA . SER A 1 272 ? 30.869 -50.943 -18.352 1.00 8.30 ? 354 SER A CA 1 ATOM 2144 C C . SER A 1 272 ? 30.668 -49.499 -17.922 1.00 10.11 ? 354 SER A C 1 ATOM 2145 O O . SER A 1 272 ? 29.659 -48.876 -18.261 1.00 10.89 ? 354 SER A O 1 ATOM 2146 C CB . SER A 1 272 ? 31.944 -51.004 -19.437 1.00 16.68 ? 354 SER A CB 1 ATOM 2147 O OG . SER A 1 272 ? 31.676 -50.067 -20.465 1.00 12.61 ? 354 SER A OG 1 ATOM 2148 N N . TYR A 1 273 ? 31.631 -48.968 -17.175 1.00 7.92 ? 355 TYR A N 1 ATOM 2149 C CA . TYR A 1 273 ? 31.693 -47.539 -16.920 1.00 7.42 ? 355 TYR A CA 1 ATOM 2150 C C . TYR A 1 273 ? 32.999 -47.023 -17.507 1.00 11.28 ? 355 TYR A C 1 ATOM 2151 O O . TYR A 1 273 ? 34.079 -47.398 -17.057 1.00 11.75 ? 355 TYR A O 1 ATOM 2152 C CB . TYR A 1 273 ? 31.600 -47.242 -15.420 1.00 7.15 ? 355 TYR A CB 1 ATOM 2153 C CG . TYR A 1 273 ? 30.176 -47.322 -14.915 1.00 7.72 ? 355 TYR A CG 1 ATOM 2154 C CD1 . TYR A 1 273 ? 29.337 -46.221 -14.990 1.00 9.51 ? 355 TYR A CD1 1 ATOM 2155 C CD2 . TYR A 1 273 ? 29.662 -48.510 -14.401 1.00 8.42 ? 355 TYR A CD2 1 ATOM 2156 C CE1 . TYR A 1 273 ? 28.013 -46.285 -14.542 1.00 7.73 ? 355 TYR A CE1 1 ATOM 2157 C CE2 . TYR A 1 273 ? 28.346 -48.588 -13.953 1.00 7.90 ? 355 TYR A CE2 1 ATOM 2158 C CZ . TYR A 1 273 ? 27.530 -47.469 -14.030 1.00 9.16 ? 355 TYR A CZ 1 ATOM 2159 O OH . TYR A 1 273 ? 26.221 -47.528 -13.595 1.00 10.40 ? 355 TYR A OH 1 ATOM 2160 N N . LEU A 1 274 ? 32.888 -46.182 -18.531 1.00 9.85 ? 356 LEU A N 1 ATOM 2161 C CA . LEU A 1 274 ? 34.053 -45.749 -19.300 1.00 11.11 ? 356 LEU A CA 1 ATOM 2162 C C . LEU A 1 274 ? 34.352 -44.298 -18.949 1.00 11.05 ? 356 LEU A C 1 ATOM 2163 O O . LEU A 1 274 ? 33.626 -43.384 -19.350 1.00 14.08 ? 356 LEU A O 1 ATOM 2164 C CB . LEU A 1 274 ? 33.767 -45.914 -20.794 1.00 10.79 ? 356 LEU A CB 1 ATOM 2165 C CG . LEU A 1 274 ? 33.318 -47.338 -21.152 1.00 10.63 ? 356 LEU A CG 1 ATOM 2166 C CD1 . LEU A 1 274 ? 32.777 -47.464 -22.579 1.00 12.43 ? 356 LEU A CD1 1 ATOM 2167 C CD2 . LEU A 1 274 ? 34.470 -48.329 -20.938 1.00 10.87 ? 356 LEU A CD2 1 ATOM 2168 N N . ASP A 1 275 ? 35.422 -44.092 -18.187 1.00 11.33 ? 357 ASP A N 1 ATOM 2169 C CA . ASP A 1 275 ? 35.655 -42.800 -17.559 1.00 15.54 ? 357 ASP A CA 1 ATOM 2170 C C . ASP A 1 275 ? 37.148 -42.600 -17.326 1.00 12.59 ? 357 ASP A C 1 ATOM 2171 O O . ASP A 1 275 ? 37.582 -42.369 -16.199 1.00 11.26 ? 357 ASP A O 1 ATOM 2172 C CB . ASP A 1 275 ? 34.888 -42.744 -16.228 1.00 14.56 ? 357 ASP A CB 1 ATOM 2173 C CG . ASP A 1 275 ? 34.904 -41.361 -15.584 1.00 15.46 ? 357 ASP A CG 1 ATOM 2174 O OD1 . ASP A 1 275 ? 34.994 -40.346 -16.306 1.00 16.85 ? 357 ASP A OD1 1 ATOM 2175 O OD2 . ASP A 1 275 ? 34.830 -41.289 -14.340 1.00 17.29 ? 357 ASP A OD2 1 ATOM 2176 N N . GLY A 1 276 ? 37.934 -42.700 -18.395 1.00 14.66 ? 358 GLY A N 1 ATOM 2177 C CA . GLY A 1 276 ? 39.366 -42.482 -18.294 1.00 13.81 ? 358 GLY A CA 1 ATOM 2178 C C . GLY A 1 276 ? 40.030 -43.418 -17.298 1.00 14.22 ? 358 GLY A C 1 ATOM 2179 O O . GLY A 1 276 ? 39.874 -44.638 -17.372 1.00 12.31 ? 358 GLY A O 1 ATOM 2180 N N . ALA A 1 277 ? 40.760 -42.844 -16.350 1.00 13.18 ? 359 ALA A N 1 ATOM 2181 C CA . ALA A 1 277 ? 41.446 -43.642 -15.340 1.00 13.45 ? 359 ALA A CA 1 ATOM 2182 C C . ALA A 1 277 ? 40.476 -44.264 -14.327 1.00 13.76 ? 359 ALA A C 1 ATOM 2183 O O . ALA A 1 277 ? 40.870 -45.121 -13.532 1.00 17.47 ? 359 ALA A O 1 ATOM 2184 C CB . ALA A 1 277 ? 42.489 -42.801 -14.625 1.00 15.72 ? 359 ALA A CB 1 ATOM 2185 N N . ASN A 1 278 ? 39.220 -43.823 -14.353 1.00 11.08 ? 360 ASN A N 1 ATOM 2186 C CA . ASN A 1 278 ? 38.184 -44.326 -13.443 1.00 9.30 ? 360 ASN A CA 1 ATOM 2187 C C . ASN A 1 278 ? 37.301 -45.370 -14.146 1.00 14.80 ? 360 ASN A C 1 ATOM 2188 O O . ASN A 1 278 ? 36.141 -45.574 -13.782 1.00 12.68 ? 360 ASN A O 1 ATOM 2189 C CB . ASN A 1 278 ? 37.345 -43.141 -12.940 1.00 11.14 ? 360 ASN A CB 1 ATOM 2190 C CG . ASN A 1 278 ? 36.382 -43.510 -11.814 1.00 12.33 ? 360 ASN A CG 1 ATOM 2191 O OD1 . ASN A 1 278 ? 36.721 -44.267 -10.895 1.00 12.98 ? 360 ASN A OD1 1 ATOM 2192 N ND2 . ASN A 1 278 ? 35.171 -42.962 -11.881 1.00 12.37 ? 360 ASN A ND2 1 ATOM 2193 N N . THR A 1 279 ? 37.865 -46.038 -15.149 1.00 10.61 ? 361 THR A N 1 ATOM 2194 C CA . THR A 1 279 ? 37.126 -47.024 -15.944 1.00 9.00 ? 361 THR A CA 1 ATOM 2195 C C . THR A 1 279 ? 37.056 -48.397 -15.274 1.00 13.08 ? 361 THR A C 1 ATOM 2196 O O . THR A 1 279 ? 38.082 -48.948 -14.862 1.00 12.04 ? 361 THR A O 1 ATOM 2197 C CB . THR A 1 279 ? 37.776 -47.191 -17.330 1.00 11.72 ? 361 THR A CB 1 ATOM 2198 O OG1 . THR A 1 279 ? 37.641 -45.970 -18.065 1.00 10.57 ? 361 THR A OG1 1 ATOM 2199 C CG2 . THR A 1 279 ? 37.103 -48.325 -18.111 1.00 9.60 ? 361 THR A CG2 1 ATOM 2200 N N . TRP A 1 280 ? 35.847 -48.951 -15.173 1.00 10.95 ? 362 TRP A N 1 ATOM 2201 C CA . TRP A 1 280 ? 35.669 -50.314 -14.679 1.00 10.69 ? 362 TRP A CA 1 ATOM 2202 C C . TRP A 1 280 ? 34.802 -51.114 -15.648 1.00 9.74 ? 362 TRP A C 1 ATOM 2203 O O . TRP A 1 280 ? 33.784 -50.615 -16.136 1.00 9.07 ? 362 TRP A O 1 ATOM 2204 C CB . TRP A 1 280 ? 35.008 -50.302 -13.302 1.00 9.84 ? 362 TRP A CB 1 ATOM 2205 C CG . TRP A 1 280 ? 35.899 -49.868 -12.178 1.00 11.39 ? 362 TRP A CG 1 ATOM 2206 C CD1 . TRP A 1 280 ? 36.314 -48.590 -11.891 1.00 11.39 ? 362 TRP A CD1 1 ATOM 2207 C CD2 . TRP A 1 280 ? 36.450 -50.706 -11.158 1.00 10.44 ? 362 TRP A CD2 1 ATOM 2208 N NE1 . TRP A 1 280 ? 37.101 -48.596 -10.760 1.00 10.42 ? 362 TRP A NE1 1 ATOM 2209 C CE2 . TRP A 1 280 ? 37.198 -49.881 -10.291 1.00 11.26 ? 362 TRP A CE2 1 ATOM 2210 C CE3 . TRP A 1 280 ? 36.394 -52.083 -10.899 1.00 9.68 ? 362 TRP A CE3 1 ATOM 2211 C CZ2 . TRP A 1 280 ? 37.881 -50.389 -9.178 1.00 13.38 ? 362 TRP A CZ2 1 ATOM 2212 C CZ3 . TRP A 1 280 ? 37.070 -52.584 -9.797 1.00 11.17 ? 362 TRP A CZ3 1 ATOM 2213 C CH2 . TRP A 1 280 ? 37.798 -51.738 -8.946 1.00 10.32 ? 362 TRP A CH2 1 ATOM 2214 N N . LEU A 1 281 ? 35.208 -52.355 -15.910 1.00 8.01 ? 363 LEU A N 1 ATOM 2215 C CA . LEU A 1 281 ? 34.470 -53.244 -16.802 1.00 9.21 ? 363 LEU A CA 1 ATOM 2216 C C . LEU A 1 281 ? 33.893 -54.414 -16.011 1.00 10.51 ? 363 LEU A C 1 ATOM 2217 O O . LEU A 1 281 ? 34.558 -54.955 -15.126 1.00 11.68 ? 363 LEU A O 1 ATOM 2218 C CB . LEU A 1 281 ? 35.402 -53.812 -17.873 1.00 12.16 ? 363 LEU A CB 1 ATOM 2219 C CG . LEU A 1 281 ? 36.289 -52.847 -18.662 1.00 12.91 ? 363 LEU A CG 1 ATOM 2220 C CD1 . LEU A 1 281 ? 37.144 -53.618 -19.651 1.00 12.45 ? 363 LEU A CD1 1 ATOM 2221 C CD2 . LEU A 1 281 ? 35.450 -51.794 -19.381 1.00 11.71 ? 363 LEU A CD2 1 ATOM 2222 N N . GLY A 1 282 ? 32.664 -54.811 -16.333 1.00 10.91 ? 364 GLY A N 1 ATOM 2223 C CA . GLY A 1 282 ? 32.104 -56.028 -15.766 1.00 9.49 ? 364 GLY A CA 1 ATOM 2224 C C . GLY A 1 282 ? 32.231 -57.191 -16.736 1.00 10.41 ? 364 GLY A C 1 ATOM 2225 O O . GLY A 1 282 ? 32.191 -56.988 -17.952 1.00 10.58 ? 364 GLY A O 1 ATOM 2226 N N . ARG A 1 283 ? 32.398 -58.407 -16.216 1.00 6.86 ? 365 ARG A N 1 ATOM 2227 C CA . ARG A 1 283 ? 32.322 -59.603 -17.059 1.00 8.38 ? 365 ARG A CA 1 ATOM 2228 C C . ARG A 1 283 ? 32.092 -60.871 -16.250 1.00 10.98 ? 365 ARG A C 1 ATOM 2229 O O . ARG A 1 283 ? 32.328 -60.903 -15.041 1.00 9.80 ? 365 ARG A O 1 ATOM 2230 C CB . ARG A 1 283 ? 33.589 -59.768 -17.917 1.00 7.01 ? 365 ARG A CB 1 ATOM 2231 C CG . ARG A 1 283 ? 34.856 -60.138 -17.139 1.00 9.27 ? 365 ARG A CG 1 ATOM 2232 C CD . ARG A 1 283 ? 36.015 -60.273 -18.127 1.00 10.97 ? 365 ARG A CD 1 ATOM 2233 N NE . ARG A 1 283 ? 37.305 -60.613 -17.523 1.00 12.16 ? 365 ARG A NE 1 ATOM 2234 C CZ . ARG A 1 283 ? 38.413 -60.806 -18.236 1.00 13.54 ? 365 ARG A CZ 1 ATOM 2235 N NH1 . ARG A 1 283 ? 38.365 -60.696 -19.556 1.00 11.27 ? 365 ARG A NH1 1 ATOM 2236 N NH2 . ARG A 1 283 ? 39.562 -61.108 -17.643 1.00 13.31 ? 365 ARG A NH2 1 ATOM 2237 N N . THR A 1 284 ? 31.629 -61.919 -16.923 1.00 10.09 ? 366 THR A N 1 ATOM 2238 C CA . THR A 1 284 ? 31.559 -63.235 -16.302 1.00 9.44 ? 366 THR A CA 1 ATOM 2239 C C . THR A 1 284 ? 32.985 -63.699 -16.078 1.00 12.02 ? 366 THR A C 1 ATOM 2240 O O . THR A 1 284 ? 33.896 -63.300 -16.806 1.00 13.30 ? 366 THR A O 1 ATOM 2241 C CB . THR A 1 284 ? 30.840 -64.267 -17.191 1.00 8.14 ? 366 THR A CB 1 ATOM 2242 O OG1 . THR A 1 284 ? 31.586 -64.460 -18.400 1.00 9.58 ? 366 THR A OG1 1 ATOM 2243 C CG2 . THR A 1 284 ? 29.436 -63.797 -17.530 1.00 9.60 ? 366 THR A CG2 1 ATOM 2244 N N . ILE A 1 285 ? 33.193 -64.534 -15.069 1.00 9.20 ? 367 ILE A N 1 ATOM 2245 C CA . ILE A 1 285 ? 34.534 -65.078 -14.856 1.00 9.11 ? 367 ILE A CA 1 ATOM 2246 C C . ILE A 1 285 ? 34.846 -66.133 -15.909 1.00 12.11 ? 367 ILE A C 1 ATOM 2247 O O . ILE A 1 285 ? 35.920 -66.121 -16.512 1.00 12.53 ? 367 ILE A O 1 ATOM 2248 C CB . ILE A 1 285 ? 34.709 -65.628 -13.427 1.00 10.28 ? 367 ILE A CB 1 ATOM 2249 C CG1 . ILE A 1 285 ? 34.674 -64.463 -12.430 1.00 10.80 ? 367 ILE A CG1 1 ATOM 2250 C CG2 . ILE A 1 285 ? 36.030 -66.395 -13.300 1.00 11.83 ? 367 ILE A CG2 1 ATOM 2251 C CD1 . ILE A 1 285 ? 34.632 -64.892 -10.971 1.00 13.51 ? 367 ILE A CD1 1 ATOM 2252 N N . SER A 1 286 ? 33.891 -67.024 -16.152 1.00 12.25 ? 368 SER A N 1 ATOM 2253 C CA . SER A 1 286 ? 34.051 -68.048 -17.180 1.00 14.44 ? 368 SER A CA 1 ATOM 2254 C C . SER A 1 286 ? 34.090 -67.463 -18.590 1.00 15.01 ? 368 SER A C 1 ATOM 2255 O O . SER A 1 286 ? 33.384 -66.497 -18.901 1.00 12.11 ? 368 SER A O 1 ATOM 2256 C CB . SER A 1 286 ? 32.915 -69.062 -17.095 1.00 12.96 ? 368 SER A CB 1 ATOM 2257 O OG . SER A 1 286 ? 32.996 -69.996 -18.157 1.00 13.85 ? 368 SER A OG 1 ATOM 2258 N N . THR A 1 287 ? 34.917 -68.051 -19.448 1.00 13.00 ? 369 THR A N 1 ATOM 2259 C CA . THR A 1 287 ? 34.928 -67.655 -20.849 1.00 11.38 ? 369 THR A CA 1 ATOM 2260 C C . THR A 1 287 ? 33.960 -68.519 -21.641 1.00 11.96 ? 369 THR A C 1 ATOM 2261 O O . THR A 1 287 ? 33.717 -68.261 -22.817 1.00 10.73 ? 369 THR A O 1 ATOM 2262 C CB . THR A 1 287 ? 36.315 -67.815 -21.480 1.00 12.61 ? 369 THR A CB 1 ATOM 2263 O OG1 . THR A 1 287 ? 36.758 -69.168 -21.299 1.00 13.56 ? 369 THR A OG1 1 ATOM 2264 C CG2 . THR A 1 287 ? 37.313 -66.848 -20.840 1.00 13.50 ? 369 THR A CG2 1 ATOM 2265 N N . ALA A 1 288 ? 33.415 -69.545 -20.997 1.00 12.06 ? 370 ALA A N 1 ATOM 2266 C CA . ALA A 1 288 ? 32.615 -70.542 -21.706 1.00 12.35 ? 370 ALA A CA 1 ATOM 2267 C C . ALA A 1 288 ? 31.121 -70.388 -21.465 1.00 13.38 ? 370 ALA A C 1 ATOM 2268 O O . ALA A 1 288 ? 30.309 -70.623 -22.363 1.00 14.67 ? 370 ALA A O 1 ATOM 2269 C CB . ALA A 1 288 ? 33.059 -71.937 -21.320 1.00 13.31 ? 370 ALA A CB 1 ATOM 2270 N N A SER A 1 289 ? 30.756 -70.001 -20.250 0.50 10.12 ? 371 SER A N 1 ATOM 2271 N N B SER A 1 289 ? 30.856 -70.001 -20.250 0.50 10.13 ? 371 SER A N 1 ATOM 2272 C CA A SER A 1 289 ? 29.348 -69.971 -19.870 0.50 8.82 ? 371 SER A CA 1 ATOM 2273 C CA B SER A 1 289 ? 29.448 -69.971 -19.870 0.50 8.82 ? 371 SER A CA 1 ATOM 2274 C C A SER A 1 289 ? 29.051 -68.836 -18.907 0.50 9.72 ? 371 SER A C 1 ATOM 2275 C C B SER A 1 289 ? 29.151 -68.836 -18.907 0.50 9.73 ? 371 SER A C 1 ATOM 2276 O O A SER A 1 289 ? 29.963 -68.156 -18.420 0.50 9.83 ? 371 SER A O 1 ATOM 2277 O O B SER A 1 289 ? 30.063 -68.156 -18.420 0.50 9.84 ? 371 SER A O 1 ATOM 2278 C CB A SER A 1 289 ? 28.940 -71.310 -19.256 0.50 18.70 ? 371 SER A CB 1 ATOM 2279 C CB B SER A 1 289 ? 29.040 -71.310 -19.256 0.50 18.71 ? 371 SER A CB 1 ATOM 2280 O OG A SER A 1 289 ? 29.640 -71.536 -18.046 0.50 24.07 ? 371 SER A OG 1 ATOM 2281 O OG B SER A 1 289 ? 29.126 -72.345 -20.219 0.50 24.21 ? 371 SER A OG 1 ATOM 2282 N N . ARG A 1 290 ? 27.764 -68.638 -18.636 1.00 10.50 ? 372 ARG A N 1 ATOM 2283 C CA . ARG A 1 290 ? 27.311 -67.552 -17.784 1.00 8.98 ? 372 ARG A CA 1 ATOM 2284 C C . ARG A 1 290 ? 27.481 -67.915 -16.317 1.00 10.94 ? 372 ARG A C 1 ATOM 2285 O O . ARG A 1 290 ? 26.508 -68.166 -15.599 1.00 10.27 ? 372 ARG A O 1 ATOM 2286 C CB . ARG A 1 290 ? 25.854 -67.218 -18.107 1.00 8.38 ? 372 ARG A CB 1 ATOM 2287 C CG . ARG A 1 290 ? 25.689 -66.729 -19.549 1.00 9.23 ? 372 ARG A CG 1 ATOM 2288 C CD . ARG A 1 290 ? 24.244 -66.767 -20.032 1.00 12.10 ? 372 ARG A CD 1 ATOM 2289 N NE . ARG A 1 290 ? 24.138 -66.078 -21.318 1.00 9.32 ? 372 ARG A NE 1 ATOM 2290 C CZ . ARG A 1 290 ? 22.995 -65.754 -21.911 1.00 12.85 ? 372 ARG A CZ 1 ATOM 2291 N NH1 . ARG A 1 290 ? 21.837 -66.067 -21.344 1.00 10.80 ? 372 ARG A NH1 1 ATOM 2292 N NH2 . ARG A 1 290 ? 23.014 -65.108 -23.070 1.00 10.92 ? 372 ARG A NH2 1 ATOM 2293 N N . SER A 1 291 ? 28.731 -67.961 -15.879 1.00 9.22 ? 373 SER A N 1 ATOM 2294 C CA . SER A 1 291 ? 29.026 -68.289 -14.496 1.00 9.08 ? 373 SER A CA 1 ATOM 2295 C C . SER A 1 291 ? 30.078 -67.328 -13.969 1.00 11.73 ? 373 SER A C 1 ATOM 2296 O O . SER A 1 291 ? 30.978 -66.896 -14.705 1.00 10.21 ? 373 SER A O 1 ATOM 2297 C CB . SER A 1 291 ? 29.483 -69.743 -14.354 1.00 16.00 ? 373 SER A CB 1 ATOM 2298 O OG . SER A 1 291 ? 30.682 -69.966 -15.057 1.00 20.70 ? 373 SER A OG 1 ATOM 2299 N N . GLY A 1 292 ? 29.945 -66.970 -12.699 1.00 9.43 ? 374 GLY A N 1 ATOM 2300 C CA . GLY A 1 292 ? 30.833 -65.999 -12.090 1.00 7.31 ? 374 GLY A CA 1 ATOM 2301 C C . GLY A 1 292 ? 30.584 -64.585 -12.570 1.00 8.78 ? 374 GLY A C 1 ATOM 2302 O O . GLY A 1 292 ? 29.925 -64.355 -13.592 1.00 9.11 ? 374 GLY A O 1 ATOM 2303 N N . TYR A 1 293 ? 31.095 -63.624 -11.813 1.00 7.60 ? 375 TYR A N 1 ATOM 2304 C CA . TYR A 1 293 ? 31.053 -62.231 -12.234 1.00 7.34 ? 375 TYR A CA 1 ATOM 2305 C C . TYR A 1 293 ? 32.126 -61.447 -11.519 1.00 10.05 ? 375 TYR A C 1 ATOM 2306 O O . TYR A 1 293 ? 32.334 -61.621 -10.317 1.00 10.10 ? 375 TYR A O 1 ATOM 2307 C CB . TYR A 1 293 ? 29.678 -61.583 -11.998 1.00 8.20 ? 375 TYR A CB 1 ATOM 2308 C CG . TYR A 1 293 ? 29.463 -60.460 -12.975 1.00 8.15 ? 375 TYR A CG 1 ATOM 2309 C CD1 . TYR A 1 293 ? 28.942 -60.714 -14.238 1.00 8.28 ? 375 TYR A CD1 1 ATOM 2310 C CD2 . TYR A 1 293 ? 29.846 -59.159 -12.667 1.00 9.86 ? 375 TYR A CD2 1 ATOM 2311 C CE1 . TYR A 1 293 ? 28.782 -59.701 -15.156 1.00 10.27 ? 375 TYR A CE1 1 ATOM 2312 C CE2 . TYR A 1 293 ? 29.686 -58.134 -13.581 1.00 8.52 ? 375 TYR A CE2 1 ATOM 2313 C CZ . TYR A 1 293 ? 29.150 -58.415 -14.819 1.00 7.73 ? 375 TYR A CZ 1 ATOM 2314 O OH . TYR A 1 293 ? 28.989 -57.412 -15.742 1.00 10.67 ? 375 TYR A OH 1 ATOM 2315 N N . GLU A 1 294 ? 32.813 -60.581 -12.260 1.00 8.38 ? 376 GLU A N 1 ATOM 2316 C CA . GLU A 1 294 ? 33.854 -59.757 -11.671 1.00 7.38 ? 376 GLU A CA 1 ATOM 2317 C C . GLU A 1 294 ? 33.860 -58.362 -12.275 1.00 8.11 ? 376 GLU A C 1 ATOM 2318 O O . GLU A 1 294 ? 33.395 -58.158 -13.401 1.00 9.05 ? 376 GLU A O 1 ATOM 2319 C CB . GLU A 1 294 ? 35.232 -60.401 -11.863 1.00 9.76 ? 376 GLU A CB 1 ATOM 2320 C CG . GLU A 1 294 ? 35.612 -60.639 -13.319 1.00 12.10 ? 376 GLU A CG 1 ATOM 2321 C CD . GLU A 1 294 ? 36.975 -61.293 -13.458 1.00 16.18 ? 376 GLU A CD 1 ATOM 2322 O OE1 . GLU A 1 294 ? 37.603 -61.600 -12.418 1.00 14.81 ? 376 GLU A OE1 1 ATOM 2323 O OE2 . GLU A 1 294 ? 37.417 -61.507 -14.605 1.00 12.52 ? 376 GLU A OE2 1 ATOM 2324 N N . MET A 1 295 ? 34.392 -57.414 -11.509 1.00 11.05 ? 377 MET A N 1 ATOM 2325 C CA . MET A 1 295 ? 34.636 -56.064 -11.982 1.00 9.75 ? 377 MET A CA 1 ATOM 2326 C C . MET A 1 295 ? 36.142 -55.878 -12.077 1.00 10.65 ? 377 MET A C 1 ATOM 2327 O O . MET A 1 295 ? 36.887 -56.306 -11.184 1.00 13.07 ? 377 MET A O 1 ATOM 2328 C CB . MET A 1 295 ? 34.059 -55.035 -11.009 1.00 10.09 ? 377 MET A CB 1 ATOM 2329 C CG . MET A 1 295 ? 32.550 -55.114 -10.843 1.00 7.42 ? 377 MET A CG 1 ATOM 2330 S SD . MET A 1 295 ? 31.705 -54.891 -12.421 1.00 10.21 ? 377 MET A SD 1 ATOM 2331 C CE . MET A 1 295 ? 32.270 -53.252 -12.871 1.00 12.59 ? 377 MET A CE 1 ATOM 2332 N N . LEU A 1 296 ? 36.590 -55.233 -13.150 1.00 11.92 ? 378 LEU A N 1 ATOM 2333 C CA . LEU A 1 296 ? 38.011 -54.981 -13.356 1.00 10.74 ? 378 LEU A CA 1 ATOM 2334 C C . LEU A 1 296 ? 38.252 -53.510 -13.674 1.00 10.80 ? 378 LEU A C 1 ATOM 2335 O O . LEU A 1 296 ? 37.587 -52.936 -14.538 1.00 10.61 ? 378 LEU A O 1 ATOM 2336 C CB . LEU A 1 296 ? 38.544 -55.860 -14.493 1.00 8.90 ? 378 LEU A CB 1 ATOM 2337 C CG . LEU A 1 296 ? 38.464 -57.369 -14.259 1.00 12.30 ? 378 LEU A CG 1 ATOM 2338 C CD1 . LEU A 1 296 ? 38.742 -58.136 -15.540 1.00 14.27 ? 378 LEU A CD1 1 ATOM 2339 C CD2 . LEU A 1 296 ? 39.444 -57.777 -13.165 1.00 14.99 ? 378 LEU A CD2 1 ATOM 2340 N N . LYS A 1 297 ? 39.198 -52.900 -12.964 1.00 8.57 ? 379 LYS A N 1 ATOM 2341 C CA . LYS A 1 297 ? 39.563 -51.513 -13.213 1.00 10.19 ? 379 LYS A CA 1 ATOM 2342 C C . LYS A 1 297 ? 40.579 -51.509 -14.350 1.00 12.47 ? 379 LYS A C 1 ATOM 2343 O O . LYS A 1 297 ? 41.693 -51.997 -14.187 1.00 12.03 ? 379 LYS A O 1 ATOM 2344 C CB . LYS A 1 297 ? 40.177 -50.891 -11.956 1.00 8.83 ? 379 LYS A CB 1 ATOM 2345 C CG . LYS A 1 297 ? 40.497 -49.399 -12.095 1.00 12.01 ? 379 LYS A CG 1 ATOM 2346 C CD . LYS A 1 297 ? 41.145 -48.835 -10.824 1.00 12.16 ? 379 LYS A CD 1 ATOM 2347 C CE . LYS A 1 297 ? 41.446 -47.344 -10.971 1.00 19.09 ? 379 LYS A CE 1 ATOM 2348 N NZ . LYS A 1 297 ? 42.144 -46.781 -9.772 1.00 15.08 ? 379 LYS A NZ 1 ATOM 2349 N N . VAL A 1 298 ? 40.181 -50.979 -15.504 1.00 10.22 ? 380 VAL A N 1 ATOM 2350 C CA . VAL A 1 298 ? 40.999 -51.030 -16.715 1.00 11.45 ? 380 VAL A CA 1 ATOM 2351 C C . VAL A 1 298 ? 41.115 -49.609 -17.273 1.00 12.06 ? 380 VAL A C 1 ATOM 2352 O O . VAL A 1 298 ? 40.247 -49.151 -18.009 1.00 11.74 ? 380 VAL A O 1 ATOM 2353 C CB . VAL A 1 298 ? 40.380 -51.984 -17.769 1.00 9.95 ? 380 VAL A CB 1 ATOM 2354 C CG1 . VAL A 1 298 ? 41.247 -52.058 -19.028 1.00 10.58 ? 380 VAL A CG1 1 ATOM 2355 C CG2 . VAL A 1 298 ? 40.190 -53.384 -17.190 1.00 12.47 ? 380 VAL A CG2 1 ATOM 2356 N N . PRO A 1 299 ? 42.187 -48.895 -16.901 1.00 12.77 ? 381 PRO A N 1 ATOM 2357 C CA . PRO A 1 299 ? 42.298 -47.478 -17.273 1.00 14.37 ? 381 PRO A CA 1 ATOM 2358 C C . PRO A 1 299 ? 42.199 -47.234 -18.778 1.00 13.08 ? 381 PRO A C 1 ATOM 2359 O O . PRO A 1 299 ? 42.877 -47.907 -19.568 1.00 14.42 ? 381 PRO A O 1 ATOM 2360 C CB . PRO A 1 299 ? 43.679 -47.090 -16.742 1.00 15.54 ? 381 PRO A CB 1 ATOM 2361 C CG . PRO A 1 299 ? 43.885 -48.013 -15.569 1.00 17.33 ? 381 PRO A CG 1 ATOM 2362 C CD . PRO A 1 299 ? 43.283 -49.324 -16.014 1.00 12.47 ? 381 PRO A CD 1 ATOM 2363 N N . ASN A 1 300 ? 41.334 -46.297 -19.161 1.00 12.96 ? 382 ASN A N 1 ATOM 2364 C CA . ASN A 1 300 ? 41.157 -45.938 -20.561 1.00 12.97 ? 382 ASN A CA 1 ATOM 2365 C C . ASN A 1 300 ? 40.787 -47.117 -21.465 1.00 11.35 ? 382 ASN A C 1 ATOM 2366 O O . ASN A 1 300 ? 41.161 -47.146 -22.639 1.00 13.09 ? 382 ASN A O 1 ATOM 2367 C CB . ASN A 1 300 ? 42.422 -45.247 -21.087 1.00 12.89 ? 382 ASN A CB 1 ATOM 2368 C CG . ASN A 1 300 ? 42.783 -44.008 -20.288 1.00 23.47 ? 382 ASN A CG 1 ATOM 2369 O OD1 . ASN A 1 300 ? 41.927 -43.181 -19.984 1.00 26.18 ? 382 ASN A OD1 1 ATOM 2370 N ND2 . ASN A 1 300 ? 44.055 -43.880 -19.938 1.00 31.73 ? 382 ASN A ND2 1 ATOM 2371 N N . ALA A 1 301 ? 40.044 -48.081 -20.923 1.00 12.08 ? 383 ALA A N 1 ATOM 2372 C CA . ALA A 1 301 ? 39.642 -49.263 -21.688 1.00 11.64 ? 383 ALA A CA 1 ATOM 2373 C C . ALA A 1 301 ? 38.986 -48.911 -23.021 1.00 10.47 ? 383 ALA A C 1 ATOM 2374 O O . ALA A 1 301 ? 39.183 -49.609 -24.013 1.00 11.01 ? 383 ALA A O 1 ATOM 2375 C CB . ALA A 1 301 ? 38.707 -50.146 -20.860 1.00 12.89 ? 383 ALA A CB 1 ATOM 2376 N N . LEU A 1 302 ? 38.212 -47.829 -23.053 1.00 10.70 ? 384 LEU A N 1 ATOM 2377 C CA . LEU A 1 302 ? 37.492 -47.471 -24.271 1.00 11.78 ? 384 LEU A CA 1 ATOM 2378 C C . LEU A 1 302 ? 38.438 -47.174 -25.431 1.00 13.11 ? 384 LEU A C 1 ATOM 2379 O O . LEU A 1 302 ? 38.170 -47.569 -26.562 1.00 11.50 ? 384 LEU A O 1 ATOM 2380 C CB . LEU A 1 302 ? 36.555 -46.280 -24.030 1.00 11.51 ? 384 LEU A CB 1 ATOM 2381 C CG . LEU A 1 302 ? 35.856 -45.736 -25.282 1.00 13.04 ? 384 LEU A CG 1 ATOM 2382 C CD1 . LEU A 1 302 ? 34.944 -46.784 -25.921 1.00 14.63 ? 384 LEU A CD1 1 ATOM 2383 C CD2 . LEU A 1 302 ? 35.076 -44.459 -24.980 1.00 15.22 ? 384 LEU A CD2 1 ATOM 2384 N N . THR A 1 303 ? 39.558 -46.516 -25.134 1.00 11.88 ? 385 THR A N 1 ATOM 2385 C CA . THR A 1 303 ? 40.404 -45.933 -26.174 1.00 12.49 ? 385 THR A CA 1 ATOM 2386 C C . THR A 1 303 ? 41.789 -46.560 -26.320 1.00 14.12 ? 385 THR A C 1 ATOM 2387 O O . THR A 1 303 ? 42.477 -46.320 -27.318 1.00 17.12 ? 385 THR A O 1 ATOM 2388 C CB . THR A 1 303 ? 40.596 -44.431 -25.927 1.00 14.03 ? 385 THR A CB 1 ATOM 2389 O OG1 . THR A 1 303 ? 41.149 -44.231 -24.618 1.00 13.30 ? 385 THR A OG1 1 ATOM 2390 C CG2 . THR A 1 303 ? 39.265 -43.707 -26.036 1.00 18.32 ? 385 THR A CG2 1 ATOM 2391 N N . ASP A 1 304 ? 42.196 -47.344 -25.326 1.00 14.44 ? 386 ASP A N 1 ATOM 2392 C CA . ASP A 1 304 ? 43.544 -47.917 -25.274 1.00 13.10 ? 386 ASP A CA 1 ATOM 2393 C C . ASP A 1 304 ? 43.497 -49.407 -25.611 1.00 11.91 ? 386 ASP A C 1 ATOM 2394 O O . ASP A 1 304 ? 43.023 -50.214 -24.809 1.00 13.07 ? 386 ASP A O 1 ATOM 2395 C CB . ASP A 1 304 ? 44.138 -47.701 -23.871 1.00 13.13 ? 386 ASP A CB 1 ATOM 2396 C CG . ASP A 1 304 ? 45.571 -48.203 -23.740 1.00 17.74 ? 386 ASP A CG 1 ATOM 2397 O OD1 . ASP A 1 304 ? 46.088 -48.849 -24.679 1.00 14.38 ? 386 ASP A OD1 1 ATOM 2398 O OD2 . ASP A 1 304 ? 46.183 -47.951 -22.676 1.00 19.77 ? 386 ASP A OD2 1 ATOM 2399 N N . ASP A 1 305 ? 43.991 -49.776 -26.792 1.00 13.98 ? 387 ASP A N 1 ATOM 2400 C CA . ASP A 1 305 ? 43.899 -51.171 -27.225 1.00 14.08 ? 387 ASP A CA 1 ATOM 2401 C C . ASP A 1 305 ? 44.939 -52.092 -26.578 1.00 13.27 ? 387 ASP A C 1 ATOM 2402 O O . ASP A 1 305 ? 45.023 -53.272 -26.921 1.00 12.86 ? 387 ASP A O 1 ATOM 2403 C CB . ASP A 1 305 ? 43.898 -51.292 -28.762 1.00 12.88 ? 387 ASP A CB 1 ATOM 2404 C CG . ASP A 1 305 ? 45.238 -50.938 -29.401 1.00 18.11 ? 387 ASP A CG 1 ATOM 2405 O OD1 . ASP A 1 305 ? 46.224 -50.670 -28.684 1.00 17.21 ? 387 ASP A OD1 1 ATOM 2406 O OD2 . ASP A 1 305 ? 45.304 -50.948 -30.649 1.00 16.31 ? 387 ASP A OD2 1 ATOM 2407 N N . ARG A 1 306 ? 45.713 -51.551 -25.635 1.00 12.37 ? 388 ARG A N 1 ATOM 2408 C CA . ARG A 1 306 ? 46.663 -52.355 -24.862 1.00 12.05 ? 388 ARG A CA 1 ATOM 2409 C C . ARG A 1 306 ? 46.301 -52.432 -23.375 1.00 13.72 ? 388 ARG A C 1 ATOM 2410 O O . ARG A 1 306 ? 47.007 -53.075 -22.593 1.00 13.58 ? 388 ARG A O 1 ATOM 2411 C CB . ARG A 1 306 ? 48.081 -51.779 -24.984 1.00 16.75 ? 388 ARG A CB 1 ATOM 2412 C CG . ARG A 1 306 ? 48.494 -51.429 -26.392 1.00 15.75 ? 388 ARG A CG 1 ATOM 2413 C CD . ARG A 1 306 ? 48.645 -52.671 -27.245 1.00 16.23 ? 388 ARG A CD 1 ATOM 2414 N NE . ARG A 1 306 ? 48.895 -52.325 -28.643 1.00 21.75 ? 388 ARG A NE 1 ATOM 2415 C CZ . ARG A 1 306 ? 50.103 -52.241 -29.192 1.00 27.98 ? 388 ARG A CZ 1 ATOM 2416 N NH1 . ARG A 1 306 ? 51.188 -52.485 -28.467 1.00 24.34 ? 388 ARG A NH1 1 ATOM 2417 N NH2 . ARG A 1 306 ? 50.225 -51.916 -30.473 1.00 29.48 ? 388 ARG A NH2 1 ATOM 2418 N N . SER A 1 307 ? 45.208 -51.780 -22.981 1.00 14.86 ? 389 SER A N 1 ATOM 2419 C CA . SER A 1 307 ? 44.901 -51.598 -21.557 1.00 11.39 ? 389 SER A CA 1 ATOM 2420 C C . SER A 1 307 ? 44.607 -52.896 -20.803 1.00 13.68 ? 389 SER A C 1 ATOM 2421 O O . SER A 1 307 ? 43.887 -53.768 -21.294 1.00 13.54 ? 389 SER A O 1 ATOM 2422 C CB . SER A 1 307 ? 43.733 -50.627 -21.386 1.00 10.56 ? 389 SER A CB 1 ATOM 2423 O OG . SER A 1 307 ? 42.636 -51.046 -22.181 1.00 10.85 ? 389 SER A OG 1 ATOM 2424 N N . LYS A 1 308 ? 45.162 -53.021 -19.599 1.00 13.70 ? 390 LYS A N 1 ATOM 2425 C CA . LYS A 1 308 ? 44.939 -54.200 -18.759 1.00 16.03 ? 390 LYS A CA 1 ATOM 2426 C C . LYS A 1 308 ? 44.427 -53.790 -17.379 1.00 13.43 ? 390 LYS A C 1 ATOM 2427 O O . LYS A 1 308 ? 44.385 -52.601 -17.064 1.00 14.46 ? 390 LYS A O 1 ATOM 2428 C CB . LYS A 1 308 ? 46.226 -55.015 -18.625 1.00 18.45 ? 390 LYS A CB 1 ATOM 2429 C CG . LYS A 1 308 ? 46.708 -55.633 -19.927 1.00 19.50 ? 390 LYS A CG 1 ATOM 2430 C CD . LYS A 1 308 ? 45.792 -56.760 -20.375 1.00 18.16 ? 390 LYS A CD 1 ATOM 2431 C CE . LYS A 1 308 ? 46.361 -57.487 -21.582 1.00 29.73 ? 390 LYS A CE 1 ATOM 2432 N NZ . LYS A 1 308 ? 47.677 -58.115 -21.282 1.00 27.48 ? 390 LYS A NZ 1 ATOM 2433 N N . PRO A 1 309 ? 44.039 -54.762 -16.553 1.00 11.57 ? 391 PRO A N 1 ATOM 2434 C CA . PRO A 1 309 ? 43.503 -54.423 -15.225 1.00 12.05 ? 391 PRO A CA 1 ATOM 2435 C C . PRO A 1 309 ? 44.583 -54.013 -14.227 1.00 15.90 ? 391 PRO A C 1 ATOM 2436 O O . PRO A 1 309 ? 45.692 -54.554 -14.263 1.00 13.37 ? 391 PRO A O 1 ATOM 2437 C CB . PRO A 1 309 ? 42.863 -55.738 -14.758 1.00 13.19 ? 391 PRO A CB 1 ATOM 2438 C CG . PRO A 1 309 ? 42.623 -56.525 -16.007 1.00 11.92 ? 391 PRO A CG 1 ATOM 2439 C CD . PRO A 1 309 ? 43.780 -56.170 -16.900 1.00 14.20 ? 391 PRO A CD 1 ATOM 2440 N N . ILE A 1 310 ? 44.255 -53.071 -13.347 1.00 9.28 ? 392 ILE A N 1 ATOM 2441 C CA . ILE A 1 310 ? 45.148 -52.702 -12.253 1.00 11.27 ? 392 ILE A CA 1 ATOM 2442 C C . ILE A 1 310 ? 44.504 -52.919 -10.880 1.00 13.44 ? 392 ILE A C 1 ATOM 2443 O O . ILE A 1 310 ? 45.139 -52.703 -9.840 1.00 14.48 ? 392 ILE A O 1 ATOM 2444 C CB . ILE A 1 310 ? 45.643 -51.250 -12.378 1.00 14.77 ? 392 ILE A CB 1 ATOM 2445 C CG1 . ILE A 1 310 ? 44.498 -50.257 -12.154 1.00 14.39 ? 392 ILE A CG1 1 ATOM 2446 C CG2 . ILE A 1 310 ? 46.334 -51.034 -13.729 1.00 16.69 ? 392 ILE A CG2 1 ATOM 2447 C CD1 . ILE A 1 310 ? 44.964 -48.815 -12.027 1.00 15.57 ? 392 ILE A CD1 1 ATOM 2448 N N . GLN A 1 311 ? 43.244 -53.348 -10.884 1.00 11.76 ? 393 GLN A N 1 ATOM 2449 C CA . GLN A 1 311 ? 42.500 -53.593 -9.646 1.00 12.44 ? 393 GLN A CA 1 ATOM 2450 C C . GLN A 1 311 ? 41.245 -54.355 -10.047 1.00 11.85 ? 393 GLN A C 1 ATOM 2451 O O . GLN A 1 311 ? 40.837 -54.295 -11.203 1.00 10.15 ? 393 GLN A O 1 ATOM 2452 C CB . GLN A 1 311 ? 42.118 -52.270 -8.968 1.00 12.87 ? 393 GLN A CB 1 ATOM 2453 C CG . GLN A 1 311 ? 41.730 -52.406 -7.490 1.00 10.16 ? 393 GLN A CG 1 ATOM 2454 C CD . GLN A 1 311 ? 41.155 -51.127 -6.906 1.00 12.53 ? 393 GLN A CD 1 ATOM 2455 O OE1 . GLN A 1 311 ? 41.556 -50.018 -7.275 1.00 12.75 ? 393 GLN A OE1 1 ATOM 2456 N NE2 . GLN A 1 311 ? 40.206 -51.275 -5.989 1.00 9.99 ? 393 GLN A NE2 1 ATOM 2457 N N . GLY A 1 312 ? 40.637 -55.085 -9.116 1.00 10.85 ? 394 GLY A N 1 ATOM 2458 C CA . GLY A 1 312 ? 39.412 -55.797 -9.430 1.00 11.50 ? 394 GLY A CA 1 ATOM 2459 C C . GLY A 1 312 ? 38.574 -56.151 -8.214 1.00 15.10 ? 394 GLY A C 1 ATOM 2460 O O . GLY A 1 312 ? 38.977 -55.914 -7.076 1.00 9.79 ? 394 GLY A O 1 ATOM 2461 N N . GLN A 1 313 ? 37.398 -56.722 -8.453 1.00 12.55 ? 395 GLN A N 1 ATOM 2462 C CA . GLN A 1 313 ? 36.571 -57.222 -7.358 1.00 7.72 ? 395 GLN A CA 1 ATOM 2463 C C . GLN A 1 313 ? 35.705 -58.367 -7.843 1.00 9.45 ? 395 GLN A C 1 ATOM 2464 O O . GLN A 1 313 ? 35.014 -58.246 -8.856 1.00 11.60 ? 395 GLN A O 1 ATOM 2465 C CB . GLN A 1 313 ? 35.696 -56.103 -6.768 1.00 9.92 ? 395 GLN A CB 1 ATOM 2466 C CG . GLN A 1 313 ? 34.992 -56.502 -5.457 1.00 9.91 ? 395 GLN A CG 1 ATOM 2467 C CD . GLN A 1 313 ? 34.279 -55.336 -4.790 1.00 11.35 ? 395 GLN A CD 1 ATOM 2468 O OE1 . GLN A 1 313 ? 34.776 -54.208 -4.801 1.00 11.90 ? 395 GLN A OE1 1 ATOM 2469 N NE2 . GLN A 1 313 ? 33.103 -55.600 -4.208 1.00 8.83 ? 395 GLN A NE2 1 ATOM 2470 N N . THR A 1 314 ? 35.749 -59.489 -7.130 1.00 10.76 ? 396 THR A N 1 ATOM 2471 C CA . THR A 1 314 ? 34.865 -60.601 -7.468 1.00 11.92 ? 396 THR A CA 1 ATOM 2472 C C . THR A 1 314 ? 33.483 -60.297 -6.898 1.00 10.95 ? 396 THR A C 1 ATOM 2473 O O . THR A 1 314 ? 33.362 -59.870 -5.747 1.00 12.09 ? 396 THR A O 1 ATOM 2474 C CB . THR A 1 314 ? 35.393 -61.940 -6.924 1.00 15.53 ? 396 THR A CB 1 ATOM 2475 O OG1 . THR A 1 314 ? 36.613 -62.277 -7.600 1.00 18.11 ? 396 THR A OG1 1 ATOM 2476 C CG2 . THR A 1 314 ? 34.372 -63.062 -7.161 1.00 13.55 ? 396 THR A CG2 1 ATOM 2477 N N . ILE A 1 315 ? 32.450 -60.504 -7.709 1.00 9.22 ? 397 ILE A N 1 ATOM 2478 C CA . ILE A 1 315 ? 31.070 -60.267 -7.284 1.00 8.62 ? 397 ILE A CA 1 ATOM 2479 C C . ILE A 1 315 ? 30.357 -61.603 -7.060 1.00 9.99 ? 397 ILE A C 1 ATOM 2480 O O . ILE A 1 315 ? 29.641 -61.787 -6.064 1.00 9.51 ? 397 ILE A O 1 ATOM 2481 C CB . ILE A 1 315 ? 30.291 -59.454 -8.344 1.00 7.23 ? 397 ILE A CB 1 ATOM 2482 C CG1 . ILE A 1 315 ? 31.097 -58.228 -8.818 1.00 9.02 ? 397 ILE A CG1 1 ATOM 2483 C CG2 . ILE A 1 315 ? 28.935 -59.055 -7.800 1.00 9.21 ? 397 ILE A CG2 1 ATOM 2484 C CD1 . ILE A 1 315 ? 31.537 -57.263 -7.703 1.00 10.03 ? 397 ILE A CD1 1 ATOM 2485 N N . VAL A 1 316 ? 30.554 -62.526 -8.001 1.00 8.01 ? 398 VAL A N 1 ATOM 2486 C CA . VAL A 1 316 ? 29.968 -63.865 -7.932 1.00 8.29 ? 398 VAL A CA 1 ATOM 2487 C C . VAL A 1 316 ? 31.056 -64.880 -8.279 1.00 10.77 ? 398 VAL A C 1 ATOM 2488 O O . VAL A 1 316 ? 31.773 -64.708 -9.269 1.00 10.00 ? 398 VAL A O 1 ATOM 2489 C CB . VAL A 1 316 ? 28.800 -64.027 -8.927 1.00 8.70 ? 398 VAL A CB 1 ATOM 2490 C CG1 . VAL A 1 316 ? 28.220 -65.437 -8.850 1.00 8.91 ? 398 VAL A CG1 1 ATOM 2491 C CG2 . VAL A 1 316 ? 27.705 -62.989 -8.657 1.00 10.66 ? 398 VAL A CG2 1 ATOM 2492 N N . LEU A 1 317 ? 31.198 -65.922 -7.462 1.00 9.46 ? 399 LEU A N 1 ATOM 2493 C CA . LEU A 1 317 ? 32.219 -66.940 -7.723 1.00 12.92 ? 399 LEU A CA 1 ATOM 2494 C C . LEU A 1 317 ? 31.937 -67.664 -9.032 1.00 13.46 ? 399 LEU A C 1 ATOM 2495 O O . LEU A 1 317 ? 30.779 -67.815 -9.426 1.00 10.56 ? 399 LEU A O 1 ATOM 2496 C CB . LEU A 1 317 ? 32.275 -67.963 -6.587 1.00 14.66 ? 399 LEU A CB 1 ATOM 2497 C CG . LEU A 1 317 ? 32.701 -67.425 -5.218 1.00 14.15 ? 399 LEU A CG 1 ATOM 2498 C CD1 . LEU A 1 317 ? 32.606 -68.529 -4.164 1.00 15.79 ? 399 LEU A CD1 1 ATOM 2499 C CD2 . LEU A 1 317 ? 34.103 -66.821 -5.259 1.00 16.11 ? 399 LEU A CD2 1 ATOM 2500 N N . ASN A 1 318 ? 32.995 -68.128 -9.694 1.00 9.96 ? 400 ASN A N 1 ATOM 2501 C CA . ASN A 1 318 ? 32.845 -68.876 -10.939 1.00 12.23 ? 400 ASN A CA 1 ATOM 2502 C C . ASN A 1 318 ? 31.966 -70.107 -10.755 1.00 14.60 ? 400 ASN A C 1 ATOM 2503 O O . ASN A 1 318 ? 31.305 -70.555 -11.690 1.00 16.29 ? 400 ASN A O 1 ATOM 2504 C CB . ASN A 1 318 ? 34.210 -69.296 -11.481 1.00 13.30 ? 400 ASN A CB 1 ATOM 2505 C CG . ASN A 1 318 ? 34.147 -69.713 -12.948 1.00 19.58 ? 400 ASN A CG 1 ATOM 2506 O OD1 . ASN A 1 318 ? 33.320 -69.212 -13.712 1.00 18.74 ? 400 ASN A OD1 1 ATOM 2507 N ND2 . ASN A 1 318 ? 35.012 -70.639 -13.341 1.00 30.50 ? 400 ASN A ND2 1 ATOM 2508 N N . ALA A 1 319 ? 31.960 -70.650 -9.541 1.00 11.81 ? 401 ALA A N 1 ATOM 2509 C CA . ALA A 1 319 ? 31.161 -71.831 -9.223 1.00 14.18 ? 401 ALA A CA 1 ATOM 2510 C C . ALA A 1 319 ? 29.658 -71.557 -9.239 1.00 16.89 ? 401 ALA A C 1 ATOM 2511 O O . ALA A 1 319 ? 28.852 -72.493 -9.240 1.00 16.42 ? 401 ALA A O 1 ATOM 2512 C CB . ALA A 1 319 ? 31.572 -72.389 -7.867 1.00 18.62 ? 401 ALA A CB 1 ATOM 2513 N N . ASP A 1 320 ? 29.282 -70.280 -9.235 1.00 10.76 ? 402 ASP A N 1 ATOM 2514 C CA . ASP A 1 320 ? 27.870 -69.896 -9.170 1.00 10.42 ? 402 ASP A CA 1 ATOM 2515 C C . ASP A 1 320 ? 27.373 -69.296 -10.487 1.00 13.52 ? 402 ASP A C 1 ATOM 2516 O O . ASP A 1 320 ? 28.120 -68.614 -11.189 1.00 12.79 ? 402 ASP A O 1 ATOM 2517 C CB . ASP A 1 320 ? 27.639 -68.922 -8.011 1.00 11.37 ? 402 ASP A CB 1 ATOM 2518 C CG . ASP A 1 320 ? 27.787 -69.586 -6.657 1.00 16.15 ? 402 ASP A CG 1 ATOM 2519 O OD1 . ASP A 1 320 ? 27.092 -70.594 -6.415 1.00 17.26 ? 402 ASP A OD1 1 ATOM 2520 O OD2 . ASP A 1 320 ? 28.609 -69.117 -5.839 1.00 12.72 ? 402 ASP A OD2 1 ATOM 2521 N N . TRP A 1 321 ? 26.108 -69.544 -10.814 1.00 10.32 ? 403 TRP A N 1 ATOM 2522 C CA . TRP A 1 321 ? 25.545 -69.067 -12.078 1.00 10.22 ? 403 TRP A CA 1 ATOM 2523 C C . TRP A 1 321 ? 25.282 -67.570 -12.048 1.00 11.09 ? 403 TRP A C 1 ATOM 2524 O O . TRP A 1 321 ? 24.752 -67.043 -11.062 1.00 12.80 ? 403 TRP A O 1 ATOM 2525 C CB . TRP A 1 321 ? 24.244 -69.807 -12.408 1.00 11.77 ? 403 TRP A CB 1 ATOM 2526 C CG . TRP A 1 321 ? 24.428 -71.284 -12.535 1.00 12.85 ? 403 TRP A CG 1 ATOM 2527 C CD1 . TRP A 1 321 ? 23.887 -72.260 -11.738 1.00 14.38 ? 403 TRP A CD1 1 ATOM 2528 C CD2 . TRP A 1 321 ? 25.228 -71.960 -13.508 1.00 12.12 ? 403 TRP A CD2 1 ATOM 2529 N NE1 . TRP A 1 321 ? 24.297 -73.501 -12.171 1.00 15.16 ? 403 TRP A NE1 1 ATOM 2530 C CE2 . TRP A 1 321 ? 25.124 -73.342 -13.251 1.00 15.29 ? 403 TRP A CE2 1 ATOM 2531 C CE3 . TRP A 1 321 ? 26.023 -71.529 -14.575 1.00 14.86 ? 403 TRP A CE3 1 ATOM 2532 C CZ2 . TRP A 1 321 ? 25.790 -74.292 -14.019 1.00 15.22 ? 403 TRP A CZ2 1 ATOM 2533 C CZ3 . TRP A 1 321 ? 26.682 -72.473 -15.335 1.00 22.91 ? 403 TRP A CZ3 1 ATOM 2534 C CH2 . TRP A 1 321 ? 26.559 -73.839 -15.056 1.00 17.37 ? 403 TRP A CH2 1 ATOM 2535 N N . SER A 1 322 ? 25.659 -66.885 -13.126 1.00 9.23 ? 404 SER A N 1 ATOM 2536 C CA . SER A 1 322 ? 25.297 -65.481 -13.290 1.00 6.11 ? 404 SER A CA 1 ATOM 2537 C C . SER A 1 322 ? 24.323 -65.330 -14.460 1.00 8.32 ? 404 SER A C 1 ATOM 2538 O O . SER A 1 322 ? 23.370 -66.110 -14.580 1.00 9.31 ? 404 SER A O 1 ATOM 2539 C CB . SER A 1 322 ? 26.535 -64.598 -13.458 1.00 8.78 ? 404 SER A CB 1 ATOM 2540 O OG . SER A 1 322 ? 27.360 -65.044 -14.522 1.00 10.39 ? 404 SER A OG 1 ATOM 2541 N N . GLY A 1 323 ? 24.552 -64.341 -15.322 1.00 8.31 ? 405 GLY A N 1 ATOM 2542 C CA . GLY A 1 323 ? 23.615 -64.048 -16.398 1.00 8.06 ? 405 GLY A CA 1 ATOM 2543 C C . GLY A 1 323 ? 23.772 -62.627 -16.897 1.00 8.79 ? 405 GLY A C 1 ATOM 2544 O O . GLY A 1 323 ? 24.884 -62.108 -16.934 1.00 10.97 ? 405 GLY A O 1 ATOM 2545 N N . TYR A 1 324 ? 22.665 -61.998 -17.281 1.00 8.64 ? 406 TYR A N 1 ATOM 2546 C CA . TYR A 1 324 ? 22.697 -60.617 -17.755 1.00 8.59 ? 406 TYR A CA 1 ATOM 2547 C C . TYR A 1 324 ? 23.196 -59.661 -16.670 1.00 10.29 ? 406 TYR A C 1 ATOM 2548 O O . TYR A 1 324 ? 23.040 -59.916 -15.471 1.00 10.01 ? 406 TYR A O 1 ATOM 2549 C CB . TYR A 1 324 ? 21.303 -60.177 -18.224 1.00 11.28 ? 406 TYR A CB 1 ATOM 2550 C CG . TYR A 1 324 ? 20.917 -60.671 -19.602 1.00 9.19 ? 406 TYR A CG 1 ATOM 2551 C CD1 . TYR A 1 324 ? 21.620 -61.699 -20.219 1.00 10.07 ? 406 TYR A CD1 1 ATOM 2552 C CD2 . TYR A 1 324 ? 19.867 -60.084 -20.298 1.00 7.14 ? 406 TYR A CD2 1 ATOM 2553 C CE1 . TYR A 1 324 ? 21.266 -62.150 -21.485 1.00 10.16 ? 406 TYR A CE1 1 ATOM 2554 C CE2 . TYR A 1 324 ? 19.510 -60.517 -21.566 1.00 10.30 ? 406 TYR A CE2 1 ATOM 2555 C CZ . TYR A 1 324 ? 20.218 -61.543 -22.153 1.00 10.75 ? 406 TYR A CZ 1 ATOM 2556 O OH . TYR A 1 324 ? 19.861 -61.976 -23.416 1.00 10.29 ? 406 TYR A OH 1 ATOM 2557 N N . SER A 1 325 ? 23.810 -58.561 -17.093 1.00 9.32 ? 407 SER A N 1 ATOM 2558 C CA . SER A 1 325 ? 24.193 -57.498 -16.167 1.00 8.76 ? 407 SER A CA 1 ATOM 2559 C C . SER A 1 325 ? 24.005 -56.155 -16.867 1.00 9.62 ? 407 SER A C 1 ATOM 2560 O O . SER A 1 325 ? 24.057 -56.081 -18.093 1.00 10.41 ? 407 SER A O 1 ATOM 2561 C CB . SER A 1 325 ? 25.634 -57.671 -15.684 1.00 8.30 ? 407 SER A CB 1 ATOM 2562 O OG . SER A 1 325 ? 26.545 -57.742 -16.771 1.00 10.26 ? 407 SER A OG 1 ATOM 2563 N N . GLY A 1 326 ? 23.759 -55.101 -16.099 1.00 7.08 ? 408 GLY A N 1 ATOM 2564 C CA . GLY A 1 326 ? 23.521 -53.801 -16.702 1.00 8.07 ? 408 GLY A CA 1 ATOM 2565 C C . GLY A 1 326 ? 23.742 -52.675 -15.721 1.00 9.50 ? 408 GLY A C 1 ATOM 2566 O O . GLY A 1 326 ? 23.883 -52.905 -14.515 1.00 8.58 ? 408 GLY A O 1 ATOM 2567 N N . SER A 1 327 ? 23.773 -51.456 -16.247 1.00 7.56 ? 409 SER A N 1 ATOM 2568 C CA . SER A 1 327 ? 24.076 -50.262 -15.460 1.00 9.60 ? 409 SER A CA 1 ATOM 2569 C C . SER A 1 327 ? 22.816 -49.485 -15.092 1.00 10.46 ? 409 SER A C 1 ATOM 2570 O O . SER A 1 327 ? 21.827 -49.524 -15.811 1.00 9.73 ? 409 SER A O 1 ATOM 2571 C CB . SER A 1 327 ? 25.016 -49.358 -16.259 1.00 9.82 ? 409 SER A CB 1 ATOM 2572 O OG . SER A 1 327 ? 24.501 -49.139 -17.571 1.00 10.43 ? 409 SER A OG 1 ATOM 2573 N N . PHE A 1 328 ? 22.867 -48.793 -13.958 1.00 9.25 ? 410 PHE A N 1 ATOM 2574 C CA . PHE A 1 328 ? 21.859 -47.814 -13.574 1.00 8.58 ? 410 PHE A CA 1 ATOM 2575 C C . PHE A 1 328 ? 22.521 -46.906 -12.552 1.00 9.25 ? 410 PHE A C 1 ATOM 2576 O O . PHE A 1 328 ? 23.533 -47.275 -11.952 1.00 8.76 ? 410 PHE A O 1 ATOM 2577 C CB . PHE A 1 328 ? 20.628 -48.482 -12.948 1.00 8.23 ? 410 PHE A CB 1 ATOM 2578 C CG . PHE A 1 328 ? 20.893 -49.114 -11.606 1.00 9.81 ? 410 PHE A CG 1 ATOM 2579 C CD1 . PHE A 1 328 ? 21.437 -50.389 -11.523 1.00 10.64 ? 410 PHE A CD1 1 ATOM 2580 C CD2 . PHE A 1 328 ? 20.588 -48.439 -10.429 1.00 9.42 ? 410 PHE A CD2 1 ATOM 2581 C CE1 . PHE A 1 328 ? 21.683 -50.981 -10.288 1.00 11.12 ? 410 PHE A CE1 1 ATOM 2582 C CE2 . PHE A 1 328 ? 20.829 -49.024 -9.184 1.00 11.23 ? 410 PHE A CE2 1 ATOM 2583 C CZ . PHE A 1 328 ? 21.375 -50.297 -9.116 1.00 12.39 ? 410 PHE A CZ 1 ATOM 2584 N N . MET A 1 329 ? 21.971 -45.713 -12.357 1.00 8.46 ? 411 MET A N 1 ATOM 2585 C CA . MET A 1 329 ? 22.432 -44.862 -11.264 1.00 9.49 ? 411 MET A CA 1 ATOM 2586 C C . MET A 1 329 ? 21.263 -44.125 -10.632 1.00 9.29 ? 411 MET A C 1 ATOM 2587 O O . MET A 1 329 ? 20.219 -43.933 -11.268 1.00 11.29 ? 411 MET A O 1 ATOM 2588 C CB . MET A 1 329 ? 23.488 -43.862 -11.748 1.00 9.34 ? 411 MET A CB 1 ATOM 2589 C CG . MET A 1 329 ? 24.807 -44.507 -12.174 1.00 9.27 ? 411 MET A CG 1 ATOM 2590 S SD . MET A 1 329 ? 26.153 -43.321 -12.376 1.00 10.00 ? 411 MET A SD 1 ATOM 2591 C CE . MET A 1 329 ? 25.561 -42.414 -13.798 1.00 10.41 ? 411 MET A CE 1 ATOM 2592 N N . ASP A 1 330 ? 21.433 -43.716 -9.378 1.00 9.31 ? 412 ASP A N 1 ATOM 2593 C CA . ASP A 1 330 ? 20.434 -42.872 -8.745 1.00 10.92 ? 412 ASP A CA 1 ATOM 2594 C C . ASP A 1 330 ? 20.747 -41.428 -9.102 1.00 8.66 ? 412 ASP A C 1 ATOM 2595 O O . ASP A 1 330 ? 21.530 -40.774 -8.421 1.00 10.81 ? 412 ASP A O 1 ATOM 2596 C CB . ASP A 1 330 ? 20.444 -43.050 -7.229 1.00 10.48 ? 412 ASP A CB 1 ATOM 2597 C CG . ASP A 1 330 ? 19.310 -42.309 -6.552 1.00 13.03 ? 412 ASP A CG 1 ATOM 2598 O OD1 . ASP A 1 330 ? 18.550 -41.601 -7.253 1.00 11.34 ? 412 ASP A OD1 1 ATOM 2599 O OD2 . ASP A 1 330 ? 19.174 -42.424 -5.316 1.00 11.80 ? 412 ASP A OD2 1 ATOM 2600 N N . TYR A 1 331 ? 20.126 -40.930 -10.166 1.00 10.85 ? 413 TYR A N 1 ATOM 2601 C CA . TYR A 1 331 ? 20.389 -39.570 -10.624 1.00 10.88 ? 413 TYR A CA 1 ATOM 2602 C C . TYR A 1 331 ? 19.855 -38.501 -9.676 1.00 13.77 ? 413 TYR A C 1 ATOM 2603 O O . TYR A 1 331 ? 20.150 -37.320 -9.847 1.00 15.16 ? 413 TYR A O 1 ATOM 2604 C CB . TYR A 1 331 ? 19.858 -39.385 -12.054 1.00 9.44 ? 413 TYR A CB 1 ATOM 2605 C CG . TYR A 1 331 ? 20.584 -40.301 -13.015 1.00 9.14 ? 413 TYR A CG 1 ATOM 2606 C CD1 . TYR A 1 331 ? 21.803 -39.931 -13.560 1.00 11.45 ? 413 TYR A CD1 1 ATOM 2607 C CD2 . TYR A 1 331 ? 20.079 -41.559 -13.330 1.00 10.16 ? 413 TYR A CD2 1 ATOM 2608 C CE1 . TYR A 1 331 ? 22.491 -40.777 -14.411 1.00 9.53 ? 413 TYR A CE1 1 ATOM 2609 C CE2 . TYR A 1 331 ? 20.759 -42.412 -14.184 1.00 10.31 ? 413 TYR A CE2 1 ATOM 2610 C CZ . TYR A 1 331 ? 21.967 -42.010 -14.725 1.00 11.10 ? 413 TYR A CZ 1 ATOM 2611 O OH . TYR A 1 331 ? 22.663 -42.854 -15.573 1.00 10.68 ? 413 TYR A OH 1 ATOM 2612 N N . TRP A 1 332 ? 19.101 -38.921 -8.662 1.00 9.98 ? 414 TRP A N 1 ATOM 2613 C CA . TRP A 1 332 ? 18.472 -37.980 -7.740 1.00 10.43 ? 414 TRP A CA 1 ATOM 2614 C C . TRP A 1 332 ? 19.116 -37.996 -6.353 1.00 13.81 ? 414 TRP A C 1 ATOM 2615 O O . TRP A 1 332 ? 18.635 -37.353 -5.419 1.00 15.89 ? 414 TRP A O 1 ATOM 2616 C CB . TRP A 1 332 ? 16.952 -38.223 -7.707 1.00 9.77 ? 414 TRP A CB 1 ATOM 2617 C CG . TRP A 1 332 ? 16.367 -37.954 -9.071 1.00 10.52 ? 414 TRP A CG 1 ATOM 2618 C CD1 . TRP A 1 332 ? 15.904 -36.760 -9.539 1.00 10.30 ? 414 TRP A CD1 1 ATOM 2619 C CD2 . TRP A 1 332 ? 16.252 -38.883 -10.158 1.00 9.42 ? 414 TRP A CD2 1 ATOM 2620 N NE1 . TRP A 1 332 ? 15.484 -36.892 -10.839 1.00 11.27 ? 414 TRP A NE1 1 ATOM 2621 C CE2 . TRP A 1 332 ? 15.691 -38.185 -11.246 1.00 10.43 ? 414 TRP A CE2 1 ATOM 2622 C CE3 . TRP A 1 332 ? 16.559 -40.240 -10.311 1.00 10.95 ? 414 TRP A CE3 1 ATOM 2623 C CZ2 . TRP A 1 332 ? 15.436 -38.794 -12.477 1.00 11.09 ? 414 TRP A CZ2 1 ATOM 2624 C CZ3 . TRP A 1 332 ? 16.305 -40.844 -11.526 1.00 9.47 ? 414 TRP A CZ3 1 ATOM 2625 C CH2 . TRP A 1 332 ? 15.748 -40.120 -12.599 1.00 10.61 ? 414 TRP A CH2 1 ATOM 2626 N N . ALA A 1 333 ? 20.237 -38.703 -6.237 1.00 9.85 ? 415 ALA A N 1 ATOM 2627 C CA . ALA A 1 333 ? 20.985 -38.741 -4.981 1.00 12.04 ? 415 ALA A CA 1 ATOM 2628 C C . ALA A 1 333 ? 21.620 -37.386 -4.628 1.00 15.54 ? 415 ALA A C 1 ATOM 2629 O O . ALA A 1 333 ? 21.859 -36.546 -5.498 1.00 18.78 ? 415 ALA A O 1 ATOM 2630 C CB . ALA A 1 333 ? 22.052 -39.836 -5.023 1.00 11.88 ? 415 ALA A CB 1 ATOM 2631 N N . GLU A 1 334 ? 21.903 -37.185 -3.347 1.00 13.24 ? 416 GLU A N 1 ATOM 2632 C CA . GLU A 1 334 ? 22.624 -35.992 -2.907 1.00 19.75 ? 416 GLU A CA 1 ATOM 2633 C C . GLU A 1 334 ? 24.102 -36.085 -3.275 1.00 16.37 ? 416 GLU A C 1 ATOM 2634 O O . GLU A 1 334 ? 24.609 -37.169 -3.549 1.00 18.35 ? 416 GLU A O 1 ATOM 2635 C CB . GLU A 1 334 ? 22.488 -35.821 -1.390 1.00 26.75 ? 416 GLU A CB 1 ATOM 2636 C CG . GLU A 1 334 ? 21.077 -35.490 -0.921 1.00 36.77 ? 416 GLU A CG 1 ATOM 2637 C CD . GLU A 1 334 ? 20.603 -34.135 -1.412 1.00 37.40 ? 416 GLU A CD 1 ATOM 2638 O OE1 . GLU A 1 334 ? 21.114 -33.105 -0.922 1.00 44.32 ? 416 GLU A OE1 1 ATOM 2639 O OE2 . GLU A 1 334 ? 19.719 -34.099 -2.292 1.00 48.48 ? 416 GLU A OE2 1 ATOM 2640 N N . GLY A 1 335 ? 24.803 -34.954 -3.289 1.00 19.19 ? 417 GLY A N 1 ATOM 2641 C CA . GLY A 1 335 ? 26.239 -34.987 -3.523 1.00 18.58 ? 417 GLY A CA 1 ATOM 2642 C C . GLY A 1 335 ? 26.682 -34.364 -4.833 1.00 15.71 ? 417 GLY A C 1 ATOM 2643 O O . GLY A 1 335 ? 25.861 -33.853 -5.595 1.00 21.31 ? 417 GLY A O 1 ATOM 2644 N N A ASP A 1 336 ? 27.980 -34.429 -5.108 0.42 13.70 ? 418 ASP A N 1 ATOM 2645 N N B ASP A 1 336 ? 27.986 -34.406 -5.103 0.58 13.67 ? 418 ASP A N 1 ATOM 2646 C CA A ASP A 1 336 ? 28.539 -33.735 -6.261 0.42 17.06 ? 418 ASP A CA 1 ATOM 2647 C CA B ASP A 1 336 ? 28.534 -33.728 -6.278 0.58 17.06 ? 418 ASP A CA 1 ATOM 2648 C C A ASP A 1 336 ? 28.875 -34.654 -7.433 0.42 16.44 ? 418 ASP A C 1 ATOM 2649 C C B ASP A 1 336 ? 28.844 -34.649 -7.455 0.58 16.44 ? 418 ASP A C 1 ATOM 2650 O O A ASP A 1 336 ? 29.410 -34.202 -8.445 0.42 14.33 ? 418 ASP A O 1 ATOM 2651 O O B ASP A 1 336 ? 29.353 -34.198 -8.480 0.58 14.31 ? 418 ASP A O 1 ATOM 2652 C CB A ASP A 1 336 ? 29.773 -32.933 -5.842 0.42 18.21 ? 418 ASP A CB 1 ATOM 2653 C CB B ASP A 1 336 ? 29.771 -32.885 -5.916 0.58 18.21 ? 418 ASP A CB 1 ATOM 2654 C CG A ASP A 1 336 ? 29.454 -31.878 -4.804 0.42 24.11 ? 418 ASP A CG 1 ATOM 2655 C CG B ASP A 1 336 ? 30.990 -33.725 -5.537 0.58 22.88 ? 418 ASP A CG 1 ATOM 2656 O OD1 A ASP A 1 336 ? 28.279 -31.458 -4.724 0.42 22.53 ? 418 ASP A OD1 1 ATOM 2657 O OD1 B ASP A 1 336 ? 30.973 -34.971 -5.665 0.58 18.88 ? 418 ASP A OD1 1 ATOM 2658 O OD2 A ASP A 1 336 ? 30.379 -31.468 -4.068 0.42 29.23 ? 418 ASP A OD2 1 ATOM 2659 O OD2 B ASP A 1 336 ? 31.999 -33.119 -5.118 0.58 24.06 ? 418 ASP A OD2 1 ATOM 2660 N N . CYS A 1 337 ? 28.555 -35.937 -7.300 1.00 11.75 ? 419 CYS A N 1 ATOM 2661 C CA . CYS A 1 337 ? 28.856 -36.909 -8.349 1.00 9.17 ? 419 CYS A CA 1 ATOM 2662 C C . CYS A 1 337 ? 27.800 -38.005 -8.403 1.00 11.87 ? 419 CYS A C 1 ATOM 2663 O O . CYS A 1 337 ? 27.067 -38.219 -7.435 1.00 12.80 ? 419 CYS A O 1 ATOM 2664 C CB . CYS A 1 337 ? 30.245 -37.522 -8.134 1.00 13.17 ? 419 CYS A CB 1 ATOM 2665 S SG . CYS A 1 337 ? 30.508 -38.331 -6.524 1.00 15.39 ? 419 CYS A SG 1 ATOM 2666 N N . TYR A 1 338 ? 27.720 -38.678 -9.547 1.00 10.95 ? 420 TYR A N 1 ATOM 2667 C CA . TYR A 1 338 ? 26.815 -39.810 -9.726 1.00 10.29 ? 420 TYR A CA 1 ATOM 2668 C C . TYR A 1 338 ? 27.542 -41.093 -9.355 1.00 11.35 ? 420 TYR A C 1 ATOM 2669 O O . TYR A 1 338 ? 28.631 -41.377 -9.869 1.00 10.56 ? 420 TYR A O 1 ATOM 2670 C CB . TYR A 1 338 ? 26.361 -39.904 -11.187 1.00 11.10 ? 420 TYR A CB 1 ATOM 2671 C CG . TYR A 1 338 ? 25.502 -38.754 -11.671 1.00 11.43 ? 420 TYR A CG 1 ATOM 2672 C CD1 . TYR A 1 338 ? 24.488 -38.232 -10.879 1.00 11.64 ? 420 TYR A CD1 1 ATOM 2673 C CD2 . TYR A 1 338 ? 25.708 -38.193 -12.929 1.00 13.94 ? 420 TYR A CD2 1 ATOM 2674 C CE1 . TYR A 1 338 ? 23.700 -37.188 -11.329 1.00 13.38 ? 420 TYR A CE1 1 ATOM 2675 C CE2 . TYR A 1 338 ? 24.923 -37.146 -13.386 1.00 12.84 ? 420 TYR A CE2 1 ATOM 2676 C CZ . TYR A 1 338 ? 23.926 -36.646 -12.579 1.00 14.08 ? 420 TYR A CZ 1 ATOM 2677 O OH . TYR A 1 338 ? 23.141 -35.597 -13.027 1.00 12.94 ? 420 TYR A OH 1 ATOM 2678 N N . ARG A 1 339 ? 26.934 -41.873 -8.469 1.00 9.81 ? 421 ARG A N 1 ATOM 2679 C CA . ARG A 1 339 ? 27.537 -43.116 -8.009 1.00 10.51 ? 421 ARG A CA 1 ATOM 2680 C C . ARG A 1 339 ? 27.157 -44.261 -8.944 1.00 8.46 ? 421 ARG A C 1 ATOM 2681 O O . ARG A 1 339 ? 25.984 -44.629 -9.047 1.00 9.49 ? 421 ARG A O 1 ATOM 2682 C CB . ARG A 1 339 ? 27.071 -43.406 -6.583 1.00 11.40 ? 421 ARG A CB 1 ATOM 2683 C CG . ARG A 1 339 ? 27.644 -44.668 -5.960 1.00 11.23 ? 421 ARG A CG 1 ATOM 2684 C CD . ARG A 1 339 ? 26.980 -44.929 -4.612 1.00 10.77 ? 421 ARG A CD 1 ATOM 2685 N NE . ARG A 1 339 ? 27.272 -43.869 -3.651 1.00 12.41 ? 421 ARG A NE 1 ATOM 2686 C CZ . ARG A 1 339 ? 27.662 -44.075 -2.397 1.00 19.53 ? 421 ARG A CZ 1 ATOM 2687 N NH1 . ARG A 1 339 ? 27.804 -45.312 -1.932 1.00 10.36 ? 421 ARG A NH1 1 ATOM 2688 N NH2 . ARG A 1 339 ? 27.910 -43.041 -1.605 1.00 15.70 ? 421 ARG A NH2 1 ATOM 2689 N N . ALA A 1 340 ? 28.155 -44.820 -9.622 1.00 8.25 ? 422 ALA A N 1 ATOM 2690 C CA . ALA A 1 340 ? 27.948 -45.923 -10.558 1.00 12.35 ? 422 ALA A CA 1 ATOM 2691 C C . ALA A 1 340 ? 27.341 -47.126 -9.852 1.00 8.48 ? 422 ALA A C 1 ATOM 2692 O O . ALA A 1 340 ? 27.787 -47.506 -8.764 1.00 10.16 ? 422 ALA A O 1 ATOM 2693 C CB . ALA A 1 340 ? 29.255 -46.317 -11.193 1.00 10.69 ? 422 ALA A CB 1 ATOM 2694 N N . CYS A 1 341 ? 26.324 -47.723 -10.468 1.00 7.71 ? 423 CYS A N 1 ATOM 2695 C CA . CYS A 1 341 ? 25.738 -48.950 -9.932 1.00 9.19 ? 423 CYS A CA 1 ATOM 2696 C C . CYS A 1 341 ? 25.549 -49.988 -11.037 1.00 8.61 ? 423 CYS A C 1 ATOM 2697 O O . CYS A 1 341 ? 25.556 -49.659 -12.227 1.00 7.59 ? 423 CYS A O 1 ATOM 2698 C CB . CYS A 1 341 ? 24.384 -48.678 -9.265 1.00 10.24 ? 423 CYS A CB 1 ATOM 2699 S SG . CYS A 1 341 ? 24.355 -47.450 -7.938 1.00 11.42 ? 423 CYS A SG 1 ATOM 2700 N N . PHE A 1 342 ? 25.371 -51.243 -10.639 1.00 7.64 ? 424 PHE A N 1 ATOM 2701 C CA . PHE A 1 342 ? 25.023 -52.285 -11.594 1.00 8.94 ? 424 PHE A CA 1 ATOM 2702 C C . PHE A 1 342 ? 24.270 -53.410 -10.907 1.00 7.75 ? 424 PHE A C 1 ATOM 2703 O O . PHE A 1 342 ? 24.256 -53.504 -9.674 1.00 8.45 ? 424 PHE A O 1 ATOM 2704 C CB . PHE A 1 342 ? 26.270 -52.830 -12.304 1.00 7.45 ? 424 PHE A CB 1 ATOM 2705 C CG . PHE A 1 342 ? 27.210 -53.600 -11.405 1.00 10.71 ? 424 PHE A CG 1 ATOM 2706 C CD1 . PHE A 1 342 ? 28.201 -52.940 -10.688 1.00 11.98 ? 424 PHE A CD1 1 ATOM 2707 C CD2 . PHE A 1 342 ? 27.118 -54.985 -11.297 1.00 8.61 ? 424 PHE A CD2 1 ATOM 2708 C CE1 . PHE A 1 342 ? 29.079 -53.643 -9.867 1.00 13.00 ? 424 PHE A CE1 1 ATOM 2709 C CE2 . PHE A 1 342 ? 27.983 -55.698 -10.478 1.00 11.53 ? 424 PHE A CE2 1 ATOM 2710 C CZ . PHE A 1 342 ? 28.969 -55.026 -9.761 1.00 10.98 ? 424 PHE A CZ 1 ATOM 2711 N N . TYR A 1 343 ? 23.630 -54.250 -11.711 1.00 8.57 ? 425 TYR A N 1 ATOM 2712 C CA . TYR A 1 343 ? 22.989 -55.458 -11.204 1.00 8.38 ? 425 TYR A CA 1 ATOM 2713 C C . TYR A 1 343 ? 23.577 -56.638 -11.967 1.00 6.70 ? 425 TYR A C 1 ATOM 2714 O O . TYR A 1 343 ? 24.107 -56.483 -13.079 1.00 8.75 ? 425 TYR A O 1 ATOM 2715 C CB . TYR A 1 343 ? 21.460 -55.413 -11.425 1.00 8.45 ? 425 TYR A CB 1 ATOM 2716 C CG . TYR A 1 343 ? 21.113 -55.420 -12.900 1.00 8.70 ? 425 TYR A CG 1 ATOM 2717 C CD1 . TYR A 1 343 ? 20.968 -56.619 -13.597 1.00 7.55 ? 425 TYR A CD1 1 ATOM 2718 C CD2 . TYR A 1 343 ? 20.979 -54.231 -13.605 1.00 9.19 ? 425 TYR A CD2 1 ATOM 2719 C CE1 . TYR A 1 343 ? 20.699 -56.632 -14.956 1.00 8.46 ? 425 TYR A CE1 1 ATOM 2720 C CE2 . TYR A 1 343 ? 20.703 -54.230 -14.957 1.00 9.59 ? 425 TYR A CE2 1 ATOM 2721 C CZ . TYR A 1 343 ? 20.567 -55.438 -15.626 1.00 9.48 ? 425 TYR A CZ 1 ATOM 2722 O OH . TYR A 1 343 ? 20.295 -55.451 -16.974 1.00 8.86 ? 425 TYR A OH 1 ATOM 2723 N N . VAL A 1 344 ? 23.478 -57.817 -11.367 1.00 7.02 ? 426 VAL A N 1 ATOM 2724 C CA . VAL A 1 344 ? 23.775 -59.052 -12.065 1.00 7.51 ? 426 VAL A CA 1 ATOM 2725 C C . VAL A 1 344 ? 22.571 -59.962 -11.918 1.00 8.78 ? 426 VAL A C 1 ATOM 2726 O O . VAL A 1 344 ? 22.088 -60.187 -10.805 1.00 9.50 ? 426 VAL A O 1 ATOM 2727 C CB . VAL A 1 344 ? 24.991 -59.763 -11.468 1.00 7.33 ? 426 VAL A CB 1 ATOM 2728 C CG1 . VAL A 1 344 ? 25.289 -61.046 -12.254 1.00 9.05 ? 426 VAL A CG1 1 ATOM 2729 C CG2 . VAL A 1 344 ? 26.207 -58.837 -11.457 1.00 9.70 ? 426 VAL A CG2 1 ATOM 2730 N N . GLU A 1 345 ? 22.087 -60.475 -13.045 1.00 6.52 ? 427 GLU A N 1 ATOM 2731 C CA . GLU A 1 345 ? 21.030 -61.485 -13.054 1.00 7.58 ? 427 GLU A CA 1 ATOM 2732 C C . GLU A 1 345 ? 21.641 -62.833 -12.694 1.00 9.43 ? 427 GLU A C 1 ATOM 2733 O O . GLU A 1 345 ? 22.617 -63.257 -13.314 1.00 7.95 ? 427 GLU A O 1 ATOM 2734 C CB . GLU A 1 345 ? 20.422 -61.572 -14.455 1.00 8.21 ? 427 GLU A CB 1 ATOM 2735 C CG . GLU A 1 345 ? 19.388 -62.679 -14.639 1.00 8.21 ? 427 GLU A CG 1 ATOM 2736 C CD . GLU A 1 345 ? 18.953 -62.830 -16.092 1.00 10.23 ? 427 GLU A CD 1 ATOM 2737 O OE1 . GLU A 1 345 ? 19.818 -62.728 -16.985 1.00 10.67 ? 427 GLU A OE1 1 ATOM 2738 O OE2 . GLU A 1 345 ? 17.749 -63.057 -16.343 1.00 9.26 ? 427 GLU A OE2 1 ATOM 2739 N N . LEU A 1 346 ? 21.070 -63.505 -11.696 1.00 6.72 ? 428 LEU A N 1 ATOM 2740 C CA . LEU A 1 346 ? 21.561 -64.817 -11.289 1.00 7.48 ? 428 LEU A CA 1 ATOM 2741 C C . LEU A 1 346 ? 20.560 -65.888 -11.739 1.00 9.17 ? 428 LEU A C 1 ATOM 2742 O O . LEU A 1 346 ? 19.568 -66.159 -11.052 1.00 8.56 ? 428 LEU A O 1 ATOM 2743 C CB . LEU A 1 346 ? 21.775 -64.846 -9.769 1.00 7.74 ? 428 LEU A CB 1 ATOM 2744 C CG . LEU A 1 346 ? 22.571 -63.661 -9.203 1.00 10.01 ? 428 LEU A CG 1 ATOM 2745 C CD1 . LEU A 1 346 ? 22.582 -63.665 -7.675 1.00 9.69 ? 428 LEU A CD1 1 ATOM 2746 C CD2 . LEU A 1 346 ? 23.993 -63.686 -9.747 1.00 11.37 ? 428 LEU A CD2 1 ATOM 2747 N N . ILE A 1 347 ? 20.818 -66.471 -12.911 1.00 8.14 ? 429 ILE A N 1 ATOM 2748 C CA . ILE A 1 347 ? 19.884 -67.389 -13.565 1.00 6.82 ? 429 ILE A CA 1 ATOM 2749 C C . ILE A 1 347 ? 19.922 -68.763 -12.919 1.00 9.09 ? 429 ILE A C 1 ATOM 2750 O O . ILE A 1 347 ? 20.998 -69.323 -12.711 1.00 8.40 ? 429 ILE A O 1 ATOM 2751 C CB . ILE A 1 347 ? 20.219 -67.540 -15.064 1.00 8.59 ? 429 ILE A CB 1 ATOM 2752 C CG1 . ILE A 1 347 ? 20.173 -66.172 -15.760 1.00 8.08 ? 429 ILE A CG1 1 ATOM 2753 C CG2 . ILE A 1 347 ? 19.269 -68.518 -15.742 1.00 11.08 ? 429 ILE A CG2 1 ATOM 2754 C CD1 . ILE A 1 347 ? 20.683 -66.184 -17.221 1.00 7.09 ? 429 ILE A CD1 1 ATOM 2755 N N . ARG A 1 348 ? 18.746 -69.295 -12.597 1.00 6.62 ? 430 ARG A N 1 ATOM 2756 C CA . ARG A 1 348 ? 18.636 -70.635 -12.041 1.00 7.37 ? 430 ARG A CA 1 ATOM 2757 C C . ARG A 1 348 ? 17.710 -71.449 -12.927 1.00 8.65 ? 430 ARG A C 1 ATOM 2758 O O . ARG A 1 348 ? 16.829 -70.896 -13.593 1.00 9.62 ? 430 ARG A O 1 ATOM 2759 C CB . ARG A 1 348 ? 18.096 -70.599 -10.609 1.00 9.56 ? 430 ARG A CB 1 ATOM 2760 C CG . ARG A 1 348 ? 18.951 -69.790 -9.631 1.00 9.08 ? 430 ARG A CG 1 ATOM 2761 C CD . ARG A 1 348 ? 20.407 -70.248 -9.606 1.00 8.70 ? 430 ARG A CD 1 ATOM 2762 N NE . ARG A 1 348 ? 20.588 -71.673 -9.303 1.00 8.98 ? 430 ARG A NE 1 ATOM 2763 C CZ . ARG A 1 348 ? 20.690 -72.181 -8.075 1.00 11.78 ? 430 ARG A CZ 1 ATOM 2764 N NH1 . ARG A 1 348 ? 20.610 -71.390 -7.008 1.00 11.36 ? 430 ARG A NH1 1 ATOM 2765 N NH2 . ARG A 1 348 ? 20.880 -73.490 -7.914 1.00 9.94 ? 430 ARG A NH2 1 ATOM 2766 N N . GLY A 1 349 ? 17.910 -72.762 -12.957 1.00 6.82 ? 431 GLY A N 1 ATOM 2767 C CA . GLY A 1 349 ? 17.070 -73.611 -13.788 1.00 8.84 ? 431 GLY A CA 1 ATOM 2768 C C . GLY A 1 349 ? 17.666 -73.840 -15.169 1.00 11.50 ? 431 GLY A C 1 ATOM 2769 O O . GLY A 1 349 ? 18.889 -73.912 -15.330 1.00 8.99 ? 431 GLY A O 1 ATOM 2770 N N . ARG A 1 350 ? 16.806 -73.953 -16.178 1.00 9.51 ? 432 ARG A N 1 ATOM 2771 C CA . ARG A 1 350 ? 17.277 -74.351 -17.501 1.00 10.72 ? 432 ARG A CA 1 ATOM 2772 C C . ARG A 1 350 ? 17.994 -73.214 -18.215 1.00 9.92 ? 432 ARG A C 1 ATOM 2773 O O . ARG A 1 350 ? 17.686 -72.041 -17.983 1.00 9.65 ? 432 ARG A O 1 ATOM 2774 C CB . ARG A 1 350 ? 16.117 -74.906 -18.334 1.00 8.58 ? 432 ARG A CB 1 ATOM 2775 C CG . ARG A 1 350 ? 15.668 -76.250 -17.790 1.00 10.17 ? 432 ARG A CG 1 ATOM 2776 C CD . ARG A 1 350 ? 14.564 -76.941 -18.580 1.00 10.46 ? 432 ARG A CD 1 ATOM 2777 N NE . ARG A 1 350 ? 14.496 -78.331 -18.118 1.00 13.85 ? 432 ARG A NE 1 ATOM 2778 C CZ . ARG A 1 350 ? 14.160 -79.373 -18.870 1.00 23.78 ? 432 ARG A CZ 1 ATOM 2779 N NH1 . ARG A 1 350 ? 13.820 -79.204 -20.138 1.00 17.67 ? 432 ARG A NH1 1 ATOM 2780 N NH2 . ARG A 1 350 ? 14.169 -80.589 -18.346 1.00 17.30 ? 432 ARG A NH2 1 ATOM 2781 N N . PRO A 1 351 ? 18.956 -73.551 -19.093 1.00 8.16 ? 433 PRO A N 1 ATOM 2782 C CA . PRO A 1 351 ? 19.345 -74.904 -19.517 1.00 10.66 ? 433 PRO A CA 1 ATOM 2783 C C . PRO A 1 351 ? 20.392 -75.570 -18.621 1.00 13.56 ? 433 PRO A C 1 ATOM 2784 O O . PRO A 1 351 ? 20.581 -76.789 -18.709 1.00 13.28 ? 433 PRO A O 1 ATOM 2785 C CB . PRO A 1 351 ? 19.935 -74.657 -20.907 1.00 13.55 ? 433 PRO A CB 1 ATOM 2786 C CG . PRO A 1 351 ? 20.578 -73.303 -20.770 1.00 11.56 ? 433 PRO A CG 1 ATOM 2787 C CD . PRO A 1 351 ? 19.649 -72.511 -19.881 1.00 9.17 ? 433 PRO A CD 1 ATOM 2788 N N . LYS A 1 352 ? 21.060 -74.802 -17.766 1.00 11.38 ? 434 LYS A N 1 ATOM 2789 C CA . LYS A 1 352 ? 22.194 -75.345 -17.013 1.00 14.39 ? 434 LYS A CA 1 ATOM 2790 C C . LYS A 1 352 ? 21.800 -76.309 -15.889 1.00 16.38 ? 434 LYS A C 1 ATOM 2791 O O . LYS A 1 352 ? 22.569 -77.207 -15.535 1.00 14.76 ? 434 LYS A O 1 ATOM 2792 C CB . LYS A 1 352 ? 23.083 -74.219 -16.472 1.00 11.19 ? 434 LYS A CB 1 ATOM 2793 C CG . LYS A 1 352 ? 23.862 -73.484 -17.554 1.00 15.42 ? 434 LYS A CG 1 ATOM 2794 C CD . LYS A 1 352 ? 24.895 -74.405 -18.203 1.00 20.33 ? 434 LYS A CD 1 ATOM 2795 C CE . LYS A 1 352 ? 25.790 -73.655 -19.183 1.00 21.01 ? 434 LYS A CE 1 ATOM 2796 N NZ . LYS A 1 352 ? 25.054 -73.272 -20.431 1.00 29.03 ? 434 LYS A NZ 1 ATOM 2797 N N . GLU A 1 353 ? 20.613 -76.119 -15.322 1.00 11.07 ? 435 GLU A N 1 ATOM 2798 C CA . GLU A 1 353 ? 20.133 -76.989 -14.251 1.00 11.11 ? 435 GLU A CA 1 ATOM 2799 C C . GLU A 1 353 ? 18.808 -77.593 -14.686 1.00 14.12 ? 435 GLU A C 1 ATOM 2800 O O . GLU A 1 353 ? 17.741 -77.067 -14.378 1.00 12.92 ? 435 GLU A O 1 ATOM 2801 C CB . GLU A 1 353 ? 19.982 -76.193 -12.947 1.00 12.90 ? 435 GLU A CB 1 ATOM 2802 C CG . GLU A 1 353 ? 21.270 -75.489 -12.529 1.00 12.38 ? 435 GLU A CG 1 ATOM 2803 C CD . GLU A 1 353 ? 21.087 -74.531 -11.370 1.00 10.97 ? 435 GLU A CD 1 ATOM 2804 O OE1 . GLU A 1 353 ? 20.388 -73.507 -11.540 1.00 12.06 ? 435 GLU A OE1 1 ATOM 2805 O OE2 . GLU A 1 353 ? 21.656 -74.791 -10.288 1.00 12.01 ? 435 GLU A OE2 1 ATOM 2806 N N . ASP A 1 354 ? 18.882 -78.702 -15.413 1.00 12.58 ? 436 ASP A N 1 ATOM 2807 C CA . ASP A 1 354 ? 17.706 -79.204 -16.113 1.00 15.55 ? 436 ASP A CA 1 ATOM 2808 C C . ASP A 1 354 ? 16.894 -80.241 -15.337 1.00 15.86 ? 436 ASP A C 1 ATOM 2809 O O . ASP A 1 354 ? 16.001 -80.876 -15.897 1.00 14.37 ? 436 ASP A O 1 ATOM 2810 C CB . ASP A 1 354 ? 18.087 -79.713 -17.508 1.00 15.55 ? 436 ASP A CB 1 ATOM 2811 C CG . ASP A 1 354 ? 18.928 -80.973 -17.473 1.00 27.83 ? 436 ASP A CG 1 ATOM 2812 O OD1 . ASP A 1 354 ? 19.293 -81.448 -16.377 1.00 21.13 ? 436 ASP A OD1 1 ATOM 2813 O OD2 . ASP A 1 354 ? 19.229 -81.491 -18.572 1.00 37.88 ? 436 ASP A OD2 1 ATOM 2814 N N . LYS A 1 355 ? 17.194 -80.406 -14.052 1.00 12.88 ? 437 LYS A N 1 ATOM 2815 C CA . LYS A 1 355 ? 16.373 -81.273 -13.210 1.00 17.20 ? 437 LYS A CA 1 ATOM 2816 C C . LYS A 1 355 ? 15.036 -80.611 -12.891 1.00 18.07 ? 437 LYS A C 1 ATOM 2817 O O . LYS A 1 355 ? 14.072 -81.294 -12.545 1.00 14.22 ? 437 LYS A O 1 ATOM 2818 C CB . LYS A 1 355 ? 17.114 -81.669 -11.929 1.00 19.85 ? 437 LYS A CB 1 ATOM 2819 C CG . LYS A 1 355 ? 18.251 -82.652 -12.178 1.00 24.62 ? 437 LYS A CG 1 ATOM 2820 C CD . LYS A 1 355 ? 18.985 -83.002 -10.889 1.00 32.67 ? 437 LYS A CD 1 ATOM 2821 C CE . LYS A 1 355 ? 19.911 -84.195 -11.091 1.00 41.82 ? 437 LYS A CE 1 ATOM 2822 N NZ . LYS A 1 355 ? 20.823 -84.009 -12.256 1.00 47.70 ? 437 LYS A NZ 1 ATOM 2823 N N . VAL A 1 356 ? 14.986 -79.282 -13.010 1.00 13.06 ? 438 VAL A N 1 ATOM 2824 C CA . VAL A 1 356 ? 13.722 -78.553 -12.939 1.00 9.95 ? 438 VAL A CA 1 ATOM 2825 C C . VAL A 1 356 ? 13.320 -78.176 -14.353 1.00 11.66 ? 438 VAL A C 1 ATOM 2826 O O . VAL A 1 356 ? 14.154 -78.193 -15.261 1.00 12.86 ? 438 VAL A O 1 ATOM 2827 C CB . VAL A 1 356 ? 13.820 -77.269 -12.084 1.00 9.69 ? 438 VAL A CB 1 ATOM 2828 C CG1 . VAL A 1 356 ? 14.108 -77.610 -10.634 1.00 12.69 ? 438 VAL A CG1 1 ATOM 2829 C CG2 . VAL A 1 356 ? 14.881 -76.321 -12.639 1.00 11.31 ? 438 VAL A CG2 1 ATOM 2830 N N . TRP A 1 357 ? 12.049 -77.831 -14.543 1.00 8.93 ? 439 TRP A N 1 ATOM 2831 C CA . TRP A 1 357 ? 11.539 -77.556 -15.878 1.00 10.72 ? 439 TRP A CA 1 ATOM 2832 C C . TRP A 1 357 ? 11.358 -76.067 -16.143 1.00 11.37 ? 439 TRP A C 1 ATOM 2833 O O . TRP A 1 357 ? 10.875 -75.676 -17.206 1.00 11.56 ? 439 TRP A O 1 ATOM 2834 C CB . TRP A 1 357 ? 10.219 -78.299 -16.095 1.00 10.93 ? 439 TRP A CB 1 ATOM 2835 C CG . TRP A 1 357 ? 10.406 -79.783 -16.225 1.00 13.74 ? 439 TRP A CG 1 ATOM 2836 C CD1 . TRP A 1 357 ? 10.397 -80.706 -15.217 1.00 25.30 ? 439 TRP A CD1 1 ATOM 2837 C CD2 . TRP A 1 357 ? 10.636 -80.514 -17.435 1.00 14.48 ? 439 TRP A CD2 1 ATOM 2838 N NE1 . TRP A 1 357 ? 10.610 -81.966 -15.727 1.00 30.30 ? 439 TRP A NE1 1 ATOM 2839 C CE2 . TRP A 1 357 ? 10.760 -81.875 -17.086 1.00 25.23 ? 439 TRP A CE2 1 ATOM 2840 C CE3 . TRP A 1 357 ? 10.752 -80.149 -18.781 1.00 17.89 ? 439 TRP A CE3 1 ATOM 2841 C CZ2 . TRP A 1 357 ? 10.989 -82.873 -18.037 1.00 22.68 ? 439 TRP A CZ2 1 ATOM 2842 C CZ3 . TRP A 1 357 ? 10.985 -81.138 -19.720 1.00 26.73 ? 439 TRP A CZ3 1 ATOM 2843 C CH2 . TRP A 1 357 ? 11.098 -82.483 -19.344 1.00 27.28 ? 439 TRP A CH2 1 ATOM 2844 N N . TRP A 1 358 ? 11.752 -75.247 -15.172 1.00 10.74 ? 440 TRP A N 1 ATOM 2845 C CA . TRP A 1 358 ? 11.625 -73.797 -15.281 1.00 7.81 ? 440 TRP A CA 1 ATOM 2846 C C . TRP A 1 358 ? 12.971 -73.093 -15.450 1.00 8.85 ? 440 TRP A C 1 ATOM 2847 O O . TRP A 1 358 ? 14.032 -73.703 -15.280 1.00 10.08 ? 440 TRP A O 1 ATOM 2848 C CB . TRP A 1 358 ? 10.888 -73.223 -14.061 1.00 7.39 ? 440 TRP A CB 1 ATOM 2849 C CG . TRP A 1 358 ? 11.379 -73.706 -12.720 1.00 9.09 ? 440 TRP A CG 1 ATOM 2850 C CD1 . TRP A 1 358 ? 10.817 -74.682 -11.943 1.00 9.15 ? 440 TRP A CD1 1 ATOM 2851 C CD2 . TRP A 1 358 ? 12.513 -73.216 -11.986 1.00 8.25 ? 440 TRP A CD2 1 ATOM 2852 N NE1 . TRP A 1 358 ? 11.537 -74.835 -10.776 1.00 10.66 ? 440 TRP A NE1 1 ATOM 2853 C CE2 . TRP A 1 358 ? 12.583 -73.950 -10.781 1.00 11.06 ? 440 TRP A CE2 1 ATOM 2854 C CE3 . TRP A 1 358 ? 13.480 -72.238 -12.239 1.00 9.15 ? 440 TRP A CE3 1 ATOM 2855 C CZ2 . TRP A 1 358 ? 13.582 -73.729 -9.823 1.00 9.62 ? 440 TRP A CZ2 1 ATOM 2856 C CZ3 . TRP A 1 358 ? 14.469 -72.016 -11.288 1.00 8.84 ? 440 TRP A CZ3 1 ATOM 2857 C CH2 . TRP A 1 358 ? 14.512 -72.759 -10.095 1.00 8.45 ? 440 TRP A CH2 1 ATOM 2858 N N . THR A 1 359 ? 12.905 -71.811 -15.811 1.00 6.93 ? 441 THR A N 1 ATOM 2859 C CA . THR A 1 359 ? 14.066 -70.925 -15.819 1.00 9.20 ? 441 THR A CA 1 ATOM 2860 C C . THR A 1 359 ? 13.635 -69.653 -15.124 1.00 7.16 ? 441 THR A C 1 ATOM 2861 O O . THR A 1 359 ? 12.616 -69.072 -15.485 1.00 9.16 ? 441 THR A O 1 ATOM 2862 C CB . THR A 1 359 ? 14.483 -70.542 -17.244 1.00 7.23 ? 441 THR A CB 1 ATOM 2863 O OG1 . THR A 1 359 ? 14.958 -71.706 -17.942 1.00 9.35 ? 441 THR A OG1 1 ATOM 2864 C CG2 . THR A 1 359 ? 15.588 -69.467 -17.208 1.00 7.20 ? 441 THR A CG2 1 ATOM 2865 N N . SER A 1 360 ? 14.385 -69.225 -14.115 1.00 8.23 ? 442 SER A N 1 ATOM 2866 C CA . SER A 1 360 ? 14.095 -67.950 -13.482 1.00 7.52 ? 442 SER A CA 1 ATOM 2867 C C . SER A 1 360 ? 15.411 -67.333 -13.053 1.00 9.24 ? 442 SER A C 1 ATOM 2868 O O . SER A 1 360 ? 16.471 -67.745 -13.525 1.00 10.00 ? 442 SER A O 1 ATOM 2869 C CB . SER A 1 360 ? 13.155 -68.129 -12.285 1.00 7.87 ? 442 SER A CB 1 ATOM 2870 O OG . SER A 1 360 ? 12.570 -66.888 -11.920 1.00 7.96 ? 442 SER A OG 1 ATOM 2871 N N . ASN A 1 361 ? 15.352 -66.335 -12.181 1.00 8.60 ? 443 ASN A N 1 ATOM 2872 C CA . ASN A 1 361 ? 16.570 -65.696 -11.707 1.00 8.39 ? 443 ASN A CA 1 ATOM 2873 C C . ASN A 1 361 ? 16.319 -64.983 -10.395 1.00 9.71 ? 443 ASN A C 1 ATOM 2874 O O . ASN A 1 361 ? 15.165 -64.778 -10.000 1.00 9.84 ? 443 ASN A O 1 ATOM 2875 C CB . ASN A 1 361 ? 17.045 -64.651 -12.727 1.00 6.20 ? 443 ASN A CB 1 ATOM 2876 C CG . ASN A 1 361 ? 16.104 -63.462 -12.806 1.00 8.59 ? 443 ASN A CG 1 ATOM 2877 O OD1 . ASN A 1 361 ? 15.029 -63.555 -13.402 1.00 10.05 ? 443 ASN A OD1 1 ATOM 2878 N ND2 . ASN A 1 361 ? 16.492 -62.341 -12.190 1.00 7.14 ? 443 ASN A ND2 1 ATOM 2879 N N . SER A 1 362 ? 17.399 -64.595 -9.723 1.00 6.99 ? 444 SER A N 1 ATOM 2880 C CA . SER A 1 362 ? 17.303 -63.563 -8.694 1.00 8.36 ? 444 SER A CA 1 ATOM 2881 C C . SER A 1 362 ? 18.225 -62.409 -9.077 1.00 8.03 ? 444 SER A C 1 ATOM 2882 O O . SER A 1 362 ? 18.869 -62.440 -10.127 1.00 9.34 ? 444 SER A O 1 ATOM 2883 C CB . SER A 1 362 ? 17.630 -64.103 -7.296 1.00 8.05 ? 444 SER A CB 1 ATOM 2884 O OG . SER A 1 362 ? 19.004 -64.444 -7.172 1.00 10.66 ? 444 SER A OG 1 ATOM 2885 N N . ILE A 1 363 ? 18.273 -61.375 -8.246 1.00 7.51 ? 445 ILE A N 1 ATOM 2886 C CA . ILE A 1 363 ? 19.046 -60.185 -8.575 1.00 8.19 ? 445 ILE A CA 1 ATOM 2887 C C . ILE A 1 363 ? 20.043 -59.898 -7.462 1.00 8.59 ? 445 ILE A C 1 ATOM 2888 O O . ILE A 1 363 ? 19.708 -60.038 -6.287 1.00 7.97 ? 445 ILE A O 1 ATOM 2889 C CB . ILE A 1 363 ? 18.112 -58.960 -8.727 1.00 8.57 ? 445 ILE A CB 1 ATOM 2890 C CG1 . ILE A 1 363 ? 17.178 -59.124 -9.932 1.00 9.71 ? 445 ILE A CG1 1 ATOM 2891 C CG2 . ILE A 1 363 ? 18.910 -57.652 -8.854 1.00 12.18 ? 445 ILE A CG2 1 ATOM 2892 C CD1 . ILE A 1 363 ? 15.986 -58.142 -9.914 1.00 9.10 ? 445 ILE A CD1 1 ATOM 2893 N N . VAL A 1 364 ? 21.267 -59.524 -7.826 1.00 7.27 ? 446 VAL A N 1 ATOM 2894 C CA . VAL A 1 364 ? 22.165 -58.872 -6.879 1.00 6.99 ? 446 VAL A CA 1 ATOM 2895 C C . VAL A 1 364 ? 22.612 -57.557 -7.512 1.00 8.00 ? 446 VAL A C 1 ATOM 2896 O O . VAL A 1 364 ? 22.726 -57.462 -8.734 1.00 10.51 ? 446 VAL A O 1 ATOM 2897 C CB . VAL A 1 364 ? 23.364 -59.763 -6.478 1.00 7.15 ? 446 VAL A CB 1 ATOM 2898 C CG1 . VAL A 1 364 ? 24.264 -60.060 -7.674 1.00 8.82 ? 446 VAL A CG1 1 ATOM 2899 C CG2 . VAL A 1 364 ? 24.175 -59.110 -5.354 1.00 9.40 ? 446 VAL A CG2 1 ATOM 2900 N N . SER A 1 365 ? 22.843 -56.539 -6.691 1.00 8.89 ? 447 SER A N 1 ATOM 2901 C CA . SER A 1 365 ? 23.177 -55.218 -7.220 1.00 10.57 ? 447 SER A CA 1 ATOM 2902 C C . SER A 1 365 ? 24.208 -54.548 -6.334 1.00 9.99 ? 447 SER A C 1 ATOM 2903 O O . SER A 1 365 ? 24.170 -54.698 -5.108 1.00 10.63 ? 447 SER A O 1 ATOM 2904 C CB . SER A 1 365 ? 21.920 -54.346 -7.285 1.00 9.21 ? 447 SER A CB 1 ATOM 2905 O OG . SER A 1 365 ? 22.212 -53.103 -7.892 1.00 16.63 ? 447 SER A OG 1 ATOM 2906 N N . MET A 1 366 ? 25.129 -53.813 -6.959 1.00 7.73 ? 448 MET A N 1 ATOM 2907 C CA . MET A 1 366 ? 26.167 -53.083 -6.235 1.00 7.03 ? 448 MET A CA 1 ATOM 2908 C C . MET A 1 366 ? 26.255 -51.647 -6.714 1.00 10.06 ? 448 MET A C 1 ATOM 2909 O O . MET A 1 366 ? 25.862 -51.334 -7.841 1.00 9.29 ? 448 MET A O 1 ATOM 2910 C CB . MET A 1 366 ? 27.543 -53.716 -6.468 1.00 6.57 ? 448 MET A CB 1 ATOM 2911 C CG . MET A 1 366 ? 27.556 -55.227 -6.544 1.00 17.34 ? 448 MET A CG 1 ATOM 2912 S SD . MET A 1 366 ? 27.651 -55.998 -4.926 1.00 19.85 ? 448 MET A SD 1 ATOM 2913 C CE . MET A 1 366 ? 29.348 -55.629 -4.463 1.00 13.60 ? 448 MET A CE 1 ATOM 2914 N N . CYS A 1 367 ? 26.813 -50.782 -5.866 1.00 10.41 ? 449 CYS A N 1 ATOM 2915 C CA . CYS A 1 367 ? 27.145 -49.415 -6.267 1.00 10.51 ? 449 CYS A CA 1 ATOM 2916 C C . CYS A 1 367 ? 28.579 -49.142 -5.844 1.00 10.95 ? 449 CYS A C 1 ATOM 2917 O O . CYS A 1 367 ? 29.131 -49.862 -5.014 1.00 10.25 ? 449 CYS A O 1 ATOM 2918 C CB . CYS A 1 367 ? 26.211 -48.394 -5.616 1.00 12.85 ? 449 CYS A CB 1 ATOM 2919 S SG . CYS A 1 367 ? 24.479 -48.485 -6.177 1.00 12.15 ? 449 CYS A SG 1 ATOM 2920 N N . SER A 1 368 ? 29.192 -48.108 -6.409 1.00 8.98 ? 450 SER A N 1 ATOM 2921 C CA . SER A 1 368 ? 30.602 -47.851 -6.123 1.00 7.61 ? 450 SER A CA 1 ATOM 2922 C C . SER A 1 368 ? 30.814 -47.154 -4.783 1.00 8.06 ? 450 SER A C 1 ATOM 2923 O O . SER A 1 368 ? 29.946 -46.412 -4.299 1.00 10.67 ? 450 SER A O 1 ATOM 2924 C CB . SER A 1 368 ? 31.243 -47.028 -7.243 1.00 9.55 ? 450 SER A CB 1 ATOM 2925 O OG . SER A 1 368 ? 30.690 -45.725 -7.289 1.00 11.74 ? 450 SER A OG 1 ATOM 2926 N N . SER A 1 369 ? 31.985 -47.397 -4.197 1.00 9.65 ? 451 SER A N 1 ATOM 2927 C CA . SER A 1 369 ? 32.426 -46.707 -2.984 1.00 10.64 ? 451 SER A CA 1 ATOM 2928 C C . SER A 1 369 ? 33.739 -45.982 -3.269 1.00 11.46 ? 451 SER A C 1 ATOM 2929 O O . SER A 1 369 ? 34.532 -46.440 -4.090 1.00 10.72 ? 451 SER A O 1 ATOM 2930 C CB . SER A 1 369 ? 32.661 -47.725 -1.864 1.00 10.28 ? 451 SER A CB 1 ATOM 2931 O OG . SER A 1 369 ? 33.182 -47.095 -0.702 1.00 12.24 ? 451 SER A OG 1 ATOM 2932 N N . THR A 1 370 ? 33.981 -44.857 -2.601 1.00 10.44 ? 452 THR A N 1 ATOM 2933 C CA . THR A 1 370 ? 35.292 -44.214 -2.698 1.00 11.75 ? 452 THR A CA 1 ATOM 2934 C C . THR A 1 370 ? 36.270 -44.834 -1.700 1.00 14.73 ? 452 THR A C 1 ATOM 2935 O O . THR A 1 370 ? 37.463 -44.524 -1.712 1.00 13.60 ? 452 THR A O 1 ATOM 2936 C CB . THR A 1 370 ? 35.221 -42.698 -2.459 1.00 14.54 ? 452 THR A CB 1 ATOM 2937 O OG1 . THR A 1 370 ? 34.660 -42.446 -1.167 1.00 14.82 ? 452 THR A OG1 1 ATOM 2938 C CG2 . THR A 1 370 ? 34.356 -42.028 -3.527 1.00 14.58 ? 452 THR A CG2 1 ATOM 2939 N N . GLU A 1 371 ? 35.763 -45.707 -0.833 1.00 12.69 ? 453 GLU A N 1 ATOM 2940 C CA . GLU A 1 371 ? 36.629 -46.503 0.026 1.00 12.29 ? 453 GLU A CA 1 ATOM 2941 C C . GLU A 1 371 ? 37.130 -47.718 -0.742 1.00 11.15 ? 453 GLU A C 1 ATOM 2942 O O . GLU A 1 371 ? 36.607 -48.047 -1.808 1.00 10.83 ? 453 GLU A O 1 ATOM 2943 C CB . GLU A 1 371 ? 35.874 -46.971 1.275 1.00 11.84 ? 453 GLU A CB 1 ATOM 2944 C CG . GLU A 1 371 ? 35.263 -45.840 2.094 1.00 15.71 ? 453 GLU A CG 1 ATOM 2945 C CD . GLU A 1 371 ? 36.305 -44.911 2.693 1.00 20.90 ? 453 GLU A CD 1 ATOM 2946 O OE1 . GLU A 1 371 ? 37.421 -45.374 2.994 1.00 26.46 ? 453 GLU A OE1 1 ATOM 2947 O OE2 . GLU A 1 371 ? 35.996 -43.715 2.876 1.00 32.95 ? 453 GLU A OE2 1 ATOM 2948 N N . PHE A 1 372 ? 38.148 -48.380 -0.201 1.00 12.05 ? 454 PHE A N 1 ATOM 2949 C CA . PHE A 1 372 ? 38.607 -49.653 -0.751 1.00 10.87 ? 454 PHE A CA 1 ATOM 2950 C C . PHE A 1 372 ? 38.069 -50.773 0.132 1.00 13.35 ? 454 PHE A C 1 ATOM 2951 O O . PHE A 1 372 ? 38.747 -51.236 1.053 1.00 14.44 ? 454 PHE A O 1 ATOM 2952 C CB . PHE A 1 372 ? 40.139 -49.696 -0.817 1.00 13.60 ? 454 PHE A CB 1 ATOM 2953 C CG . PHE A 1 372 ? 40.731 -48.747 -1.829 1.00 13.09 ? 454 PHE A CG 1 ATOM 2954 C CD1 . PHE A 1 372 ? 40.876 -47.396 -1.532 1.00 16.62 ? 454 PHE A CD1 1 ATOM 2955 C CD2 . PHE A 1 372 ? 41.138 -49.206 -3.078 1.00 15.44 ? 454 PHE A CD2 1 ATOM 2956 C CE1 . PHE A 1 372 ? 41.414 -46.516 -2.459 1.00 15.06 ? 454 PHE A CE1 1 ATOM 2957 C CE2 . PHE A 1 372 ? 41.683 -48.332 -4.015 1.00 14.18 ? 454 PHE A CE2 1 ATOM 2958 C CZ . PHE A 1 372 ? 41.822 -46.985 -3.702 1.00 15.17 ? 454 PHE A CZ 1 ATOM 2959 N N . LEU A 1 373 ? 36.835 -51.191 -0.139 1.00 10.40 ? 455 LEU A N 1 ATOM 2960 C CA . LEU A 1 373 ? 36.127 -52.121 0.741 1.00 10.78 ? 455 LEU A CA 1 ATOM 2961 C C . LEU A 1 373 ? 36.497 -53.589 0.513 1.00 12.61 ? 455 LEU A C 1 ATOM 2962 O O . LEU A 1 373 ? 36.802 -54.007 -0.611 1.00 11.95 ? 455 LEU A O 1 ATOM 2963 C CB . LEU A 1 373 ? 34.608 -51.953 0.580 1.00 10.25 ? 455 LEU A CB 1 ATOM 2964 C CG . LEU A 1 373 ? 34.039 -50.558 0.824 1.00 10.00 ? 455 LEU A CG 1 ATOM 2965 C CD1 . LEU A 1 373 ? 32.544 -50.520 0.530 1.00 13.88 ? 455 LEU A CD1 1 ATOM 2966 C CD2 . LEU A 1 373 ? 34.302 -50.122 2.260 1.00 10.70 ? 455 LEU A CD2 1 ATOM 2967 N N . GLY A 1 374 ? 36.451 -54.378 1.585 1.00 11.22 ? 456 GLY A N 1 ATOM 2968 C CA . GLY A 1 374 ? 36.620 -55.814 1.461 1.00 10.47 ? 456 GLY A CA 1 ATOM 2969 C C . GLY A 1 374 ? 35.537 -56.405 0.574 1.00 10.53 ? 456 GLY A C 1 ATOM 2970 O O . GLY A 1 374 ? 34.433 -55.859 0.489 1.00 10.93 ? 456 GLY A O 1 ATOM 2971 N N . GLN A 1 375 ? 35.847 -57.510 -0.091 1.00 9.63 ? 457 GLN A N 1 ATOM 2972 C CA . GLN A 1 375 ? 34.893 -58.129 -1.011 1.00 9.47 ? 457 GLN A CA 1 ATOM 2973 C C . GLN A 1 375 ? 34.284 -59.413 -0.440 1.00 9.56 ? 457 GLN A C 1 ATOM 2974 O O . GLN A 1 375 ? 34.942 -60.165 0.286 1.00 10.83 ? 457 GLN A O 1 ATOM 2975 C CB . GLN A 1 375 ? 35.572 -58.426 -2.353 1.00 11.11 ? 457 GLN A CB 1 ATOM 2976 C CG . GLN A 1 375 ? 36.716 -59.434 -2.236 1.00 11.74 ? 457 GLN A CG 1 ATOM 2977 C CD . GLN A 1 375 ? 37.391 -59.731 -3.562 1.00 21.25 ? 457 GLN A CD 1 ATOM 2978 O OE1 . GLN A 1 375 ? 36.995 -59.217 -4.604 1.00 20.79 ? 457 GLN A OE1 1 ATOM 2979 N NE2 . GLN A 1 375 ? 38.419 -60.567 -3.525 1.00 24.08 ? 457 GLN A NE2 1 ATOM 2980 N N . TRP A 1 376 ? 33.013 -59.645 -0.759 1.00 10.43 ? 458 TRP A N 1 ATOM 2981 C CA . TRP A 1 376 ? 32.382 -60.939 -0.525 1.00 11.76 ? 458 TRP A CA 1 ATOM 2982 C C . TRP A 1 376 ? 31.979 -61.461 -1.893 1.00 13.28 ? 458 TRP A C 1 ATOM 2983 O O . TRP A 1 376 ? 32.287 -60.835 -2.910 1.00 15.94 ? 458 TRP A O 1 ATOM 2984 C CB . TRP A 1 376 ? 31.130 -60.784 0.324 1.00 10.76 ? 458 TRP A CB 1 ATOM 2985 C CG . TRP A 1 376 ? 30.856 -61.960 1.222 1.00 10.86 ? 458 TRP A CG 1 ATOM 2986 C CD1 . TRP A 1 376 ? 31.632 -63.076 1.385 1.00 9.77 ? 458 TRP A CD1 1 ATOM 2987 C CD2 . TRP A 1 376 ? 29.728 -62.124 2.087 1.00 8.51 ? 458 TRP A CD2 1 ATOM 2988 N NE1 . TRP A 1 376 ? 31.051 -63.921 2.309 1.00 9.27 ? 458 TRP A NE1 1 ATOM 2989 C CE2 . TRP A 1 376 ? 29.884 -63.353 2.755 1.00 9.18 ? 458 TRP A CE2 1 ATOM 2990 C CE3 . TRP A 1 376 ? 28.601 -61.340 2.367 1.00 7.56 ? 458 TRP A CE3 1 ATOM 2991 C CZ2 . TRP A 1 376 ? 28.953 -63.821 3.684 1.00 11.35 ? 458 TRP A CZ2 1 ATOM 2992 C CZ3 . TRP A 1 376 ? 27.684 -61.802 3.291 1.00 12.33 ? 458 TRP A CZ3 1 ATOM 2993 C CH2 . TRP A 1 376 ? 27.864 -63.030 3.940 1.00 10.12 ? 458 TRP A CH2 1 ATOM 2994 N N . ASN A 1 377 ? 31.296 -62.603 -1.924 1.00 9.92 ? 459 ASN A N 1 ATOM 2995 C CA . ASN A 1 377 ? 30.713 -63.099 -3.167 1.00 7.17 ? 459 ASN A CA 1 ATOM 2996 C C . ASN A 1 377 ? 29.236 -63.327 -2.925 1.00 8.89 ? 459 ASN A C 1 ATOM 2997 O O . ASN A 1 377 ? 28.834 -63.619 -1.795 1.00 9.23 ? 459 ASN A O 1 ATOM 2998 C CB . ASN A 1 377 ? 31.398 -64.389 -3.616 1.00 9.82 ? 459 ASN A CB 1 ATOM 2999 C CG . ASN A 1 377 ? 31.184 -65.526 -2.644 1.00 12.83 ? 459 ASN A CG 1 ATOM 3000 O OD1 . ASN A 1 377 ? 30.213 -66.279 -2.767 1.00 11.32 ? 459 ASN A OD1 1 ATOM 3001 N ND2 . ASN A 1 377 ? 32.081 -65.656 -1.660 1.00 11.61 ? 459 ASN A ND2 1 ATOM 3002 N N . TRP A 1 378 ? 28.426 -63.202 -3.974 1.00 9.47 ? 460 TRP A N 1 ATOM 3003 C CA . TRP A 1 378 ? 26.976 -63.127 -3.793 1.00 8.85 ? 460 TRP A CA 1 ATOM 3004 C C . TRP A 1 378 ? 26.196 -64.104 -4.673 1.00 6.78 ? 460 TRP A C 1 ATOM 3005 O O . TRP A 1 378 ? 25.716 -63.732 -5.744 1.00 11.85 ? 460 TRP A O 1 ATOM 3006 C CB . TRP A 1 378 ? 26.518 -61.693 -4.068 1.00 7.65 ? 460 TRP A CB 1 ATOM 3007 C CG . TRP A 1 378 ? 27.118 -60.686 -3.126 1.00 8.59 ? 460 TRP A CG 1 ATOM 3008 C CD1 . TRP A 1 378 ? 28.263 -59.955 -3.315 1.00 10.41 ? 460 TRP A CD1 1 ATOM 3009 C CD2 . TRP A 1 378 ? 26.613 -60.310 -1.838 1.00 8.11 ? 460 TRP A CD2 1 ATOM 3010 N NE1 . TRP A 1 378 ? 28.490 -59.142 -2.227 1.00 11.65 ? 460 TRP A NE1 1 ATOM 3011 C CE2 . TRP A 1 378 ? 27.488 -59.334 -1.312 1.00 9.61 ? 460 TRP A CE2 1 ATOM 3012 C CE3 . TRP A 1 378 ? 25.496 -60.691 -1.087 1.00 9.36 ? 460 TRP A CE3 1 ATOM 3013 C CZ2 . TRP A 1 378 ? 27.282 -58.741 -0.066 1.00 9.24 ? 460 TRP A CZ2 1 ATOM 3014 C CZ3 . TRP A 1 378 ? 25.293 -60.104 0.142 1.00 9.38 ? 460 TRP A CZ3 1 ATOM 3015 C CH2 . TRP A 1 378 ? 26.184 -59.142 0.647 1.00 9.92 ? 460 TRP A CH2 1 ATOM 3016 N N . PRO A 1 379 ? 26.062 -65.360 -4.215 1.00 9.06 ? 461 PRO A N 1 ATOM 3017 C CA . PRO A 1 379 ? 25.361 -66.401 -4.978 1.00 10.49 ? 461 PRO A CA 1 ATOM 3018 C C . PRO A 1 379 ? 23.854 -66.197 -4.905 1.00 6.94 ? 461 PRO A C 1 ATOM 3019 O O . PRO A 1 379 ? 23.370 -65.532 -3.982 1.00 8.12 ? 461 PRO A O 1 ATOM 3020 C CB . PRO A 1 379 ? 25.715 -67.697 -4.228 1.00 11.45 ? 461 PRO A CB 1 ATOM 3021 C CG . PRO A 1 379 ? 26.752 -67.328 -3.204 1.00 16.15 ? 461 PRO A CG 1 ATOM 3022 C CD . PRO A 1 379 ? 26.557 -65.866 -2.925 1.00 10.88 ? 461 PRO A CD 1 ATOM 3023 N N . ASP A 1 380 ? 23.119 -66.781 -5.846 1.00 7.15 ? 462 ASP A N 1 ATOM 3024 C CA . ASP A 1 380 ? 21.667 -66.785 -5.762 1.00 8.27 ? 462 ASP A CA 1 ATOM 3025 C C . ASP A 1 380 ? 21.210 -67.370 -4.430 1.00 8.45 ? 462 ASP A C 1 ATOM 3026 O O . ASP A 1 380 ? 20.354 -66.792 -3.747 1.00 10.05 ? 462 ASP A O 1 ATOM 3027 C CB . ASP A 1 380 ? 21.075 -67.595 -6.908 1.00 8.36 ? 462 ASP A CB 1 ATOM 3028 C CG . ASP A 1 380 ? 19.613 -67.890 -6.702 1.00 8.85 ? 462 ASP A CG 1 ATOM 3029 O OD1 . ASP A 1 380 ? 18.799 -66.956 -6.852 1.00 10.52 ? 462 ASP A OD1 1 ATOM 3030 O OD2 . ASP A 1 380 ? 19.273 -69.053 -6.393 1.00 9.70 ? 462 ASP A OD2 1 ATOM 3031 N N . GLY A 1 381 ? 21.779 -68.518 -4.067 1.00 7.26 ? 463 GLY A N 1 ATOM 3032 C CA . GLY A 1 381 ? 21.565 -69.091 -2.747 1.00 9.75 ? 463 GLY A CA 1 ATOM 3033 C C . GLY A 1 381 ? 20.528 -70.188 -2.627 1.00 9.72 ? 463 GLY A C 1 ATOM 3034 O O . GLY A 1 381 ? 20.358 -70.778 -1.555 1.00 10.22 ? 463 GLY A O 1 ATOM 3035 N N . ALA A 1 382 ? 19.820 -70.478 -3.711 1.00 7.13 ? 464 ALA A N 1 ATOM 3036 C CA . ALA A 1 382 ? 18.793 -71.510 -3.641 1.00 5.78 ? 464 ALA A CA 1 ATOM 3037 C C . ALA A 1 382 ? 19.383 -72.888 -3.918 1.00 9.06 ? 464 ALA A C 1 ATOM 3038 O O . ALA A 1 382 ? 20.362 -73.017 -4.655 1.00 9.48 ? 464 ALA A O 1 ATOM 3039 C CB . ALA A 1 382 ? 17.647 -71.205 -4.597 1.00 8.59 ? 464 ALA A CB 1 ATOM 3040 N N . LYS A 1 383 ? 18.800 -73.912 -3.304 1.00 12.22 ? 465 LYS A N 1 ATOM 3041 C CA . LYS A 1 383 ? 19.206 -75.292 -3.564 1.00 13.71 ? 465 LYS A CA 1 ATOM 3042 C C . LYS A 1 383 ? 18.215 -75.934 -4.529 1.00 11.81 ? 465 LYS A C 1 ATOM 3043 O O . LYS A 1 383 ? 17.051 -76.131 -4.187 1.00 11.76 ? 465 LYS A O 1 ATOM 3044 C CB . LYS A 1 383 ? 19.265 -76.093 -2.254 1.00 15.02 ? 465 LYS A CB 1 ATOM 3045 C CG . LYS A 1 383 ? 20.300 -75.592 -1.246 1.00 22.72 ? 465 LYS A CG 1 ATOM 3046 C CD . LYS A 1 383 ? 20.313 -76.434 0.041 1.00 34.24 ? 465 LYS A CD 1 ATOM 3047 C CE . LYS A 1 383 ? 21.282 -77.608 -0.050 1.00 41.62 ? 465 LYS A CE 1 ATOM 3048 N NZ . LYS A 1 383 ? 22.697 -77.135 -0.123 1.00 49.22 ? 465 LYS A NZ 1 ATOM 3049 N N . ILE A 1 384 ? 18.680 -76.259 -5.735 1.00 10.86 ? 466 ILE A N 1 ATOM 3050 C CA . ILE A 1 384 ? 17.828 -76.842 -6.772 1.00 13.77 ? 466 ILE A CA 1 ATOM 3051 C C . ILE A 1 384 ? 17.087 -78.095 -6.295 1.00 15.43 ? 466 ILE A C 1 ATOM 3052 O O . ILE A 1 384 ? 15.916 -78.291 -6.618 1.00 14.19 ? 466 ILE A O 1 ATOM 3053 C CB . ILE A 1 384 ? 18.654 -77.169 -8.046 1.00 19.15 ? 466 ILE A CB 1 ATOM 3054 C CG1 . ILE A 1 384 ? 18.825 -75.918 -8.904 1.00 20.62 ? 466 ILE A CG1 1 ATOM 3055 C CG2 . ILE A 1 384 ? 17.996 -78.273 -8.871 1.00 30.43 ? 466 ILE A CG2 1 ATOM 3056 C CD1 . ILE A 1 384 ? 17.513 -75.382 -9.484 1.00 18.96 ? 466 ILE A CD1 1 ATOM 3057 N N . GLU A 1 385 ? 17.763 -78.925 -5.504 1.00 16.19 ? 467 GLU A N 1 ATOM 3058 C CA . GLU A 1 385 ? 17.172 -80.179 -5.032 1.00 17.29 ? 467 GLU A CA 1 ATOM 3059 C C . GLU A 1 385 ? 15.856 -79.962 -4.278 1.00 16.07 ? 467 GLU A C 1 ATOM 3060 O O . GLU A 1 385 ? 14.985 -80.837 -4.266 1.00 15.45 ? 467 GLU A O 1 ATOM 3061 C CB . GLU A 1 385 ? 18.164 -80.935 -4.144 1.00 20.92 ? 467 GLU A CB 1 ATOM 3062 C CG . GLU A 1 385 ? 18.408 -80.248 -2.811 1.00 29.58 ? 467 GLU A CG 1 ATOM 3063 C CD . GLU A 1 385 ? 19.665 -80.726 -2.119 1.00 54.35 ? 467 GLU A CD 1 ATOM 3064 O OE1 . GLU A 1 385 ? 19.554 -81.581 -1.212 1.00 45.70 ? 467 GLU A OE1 1 ATOM 3065 O OE2 . GLU A 1 385 ? 20.759 -80.236 -2.474 1.00 58.62 ? 467 GLU A OE2 1 ATOM 3066 N N . TYR A 1 386 ? 15.706 -78.791 -3.662 1.00 9.24 ? 468 TYR A N 1 ATOM 3067 C CA . TYR A 1 386 ? 14.492 -78.475 -2.911 1.00 11.67 ? 468 TYR A CA 1 ATOM 3068 C C . TYR A 1 386 ? 13.264 -78.374 -3.817 1.00 12.92 ? 468 TYR A C 1 ATOM 3069 O O . TYR A 1 386 ? 12.132 -78.538 -3.362 1.00 10.34 ? 468 TYR A O 1 ATOM 3070 C CB . TYR A 1 386 ? 14.672 -77.159 -2.152 1.00 10.46 ? 468 TYR A CB 1 ATOM 3071 C CG . TYR A 1 386 ? 15.542 -77.254 -0.913 1.00 9.96 ? 468 TYR A CG 1 ATOM 3072 C CD1 . TYR A 1 386 ? 15.829 -78.481 -0.324 1.00 14.20 ? 468 TYR A CD1 1 ATOM 3073 C CD2 . TYR A 1 386 ? 16.052 -76.106 -0.319 1.00 8.15 ? 468 TYR A CD2 1 ATOM 3074 C CE1 . TYR A 1 386 ? 16.618 -78.556 0.820 1.00 16.01 ? 468 TYR A CE1 1 ATOM 3075 C CE2 . TYR A 1 386 ? 16.838 -76.171 0.812 1.00 10.21 ? 468 TYR A CE2 1 ATOM 3076 C CZ . TYR A 1 386 ? 17.117 -77.395 1.379 1.00 13.71 ? 468 TYR A CZ 1 ATOM 3077 O OH . TYR A 1 386 ? 17.898 -77.441 2.517 1.00 12.79 ? 468 TYR A OH 1 ATOM 3078 N N . PHE A 1 387 ? 13.498 -78.102 -5.095 1.00 10.66 ? 469 PHE A N 1 ATOM 3079 C CA . PHE A 1 387 ? 12.409 -77.921 -6.053 1.00 10.21 ? 469 PHE A CA 1 ATOM 3080 C C . PHE A 1 387 ? 11.981 -79.217 -6.739 1.00 16.32 ? 469 PHE A C 1 ATOM 3081 O O . PHE A 1 387 ? 11.046 -79.216 -7.546 1.00 16.37 ? 469 PHE A O 1 ATOM 3082 C CB . PHE A 1 387 ? 12.813 -76.902 -7.117 1.00 10.93 ? 469 PHE A CB 1 ATOM 3083 C CG . PHE A 1 387 ? 12.832 -75.482 -6.625 1.00 9.77 ? 469 PHE A CG 1 ATOM 3084 C CD1 . PHE A 1 387 ? 13.977 -74.947 -6.048 1.00 9.53 ? 469 PHE A CD1 1 ATOM 3085 C CD2 . PHE A 1 387 ? 11.711 -74.675 -6.756 1.00 11.36 ? 469 PHE A CD2 1 ATOM 3086 C CE1 . PHE A 1 387 ? 14.000 -73.638 -5.605 1.00 11.46 ? 469 PHE A CE1 1 ATOM 3087 C CE2 . PHE A 1 387 ? 11.732 -73.362 -6.313 1.00 9.27 ? 469 PHE A CE2 1 ATOM 3088 C CZ . PHE A 1 387 ? 12.882 -72.847 -5.739 1.00 10.97 ? 469 PHE A CZ 1 ATOM 3089 N N . LEU A 1 388 ? 12.652 -80.316 -6.417 1.00 12.34 ? 470 LEU A N 1 ATOM 3090 C CA . LEU A 1 388 ? 12.396 -81.588 -7.098 1.00 21.75 ? 470 LEU A CA 1 ATOM 3091 C C . LEU A 1 388 ? 11.283 -82.398 -6.445 1.00 26.04 ? 470 LEU A C 1 ATOM 3092 O O . LEU A 1 388 ? 10.933 -82.180 -5.282 1.00 20.59 ? 470 LEU A O 1 ATOM 3093 C CB . LEU A 1 388 ? 13.680 -82.416 -7.177 1.00 16.51 ? 470 LEU A CB 1 ATOM 3094 C CG . LEU A 1 388 ? 14.830 -81.718 -7.904 1.00 20.84 ? 470 LEU A CG 1 ATOM 3095 C CD1 . LEU A 1 388 ? 16.033 -82.635 -8.065 1.00 23.64 ? 470 LEU A CD1 1 ATOM 3096 C CD2 . LEU A 1 388 ? 14.370 -81.179 -9.257 1.00 16.09 ? 470 LEU A CD2 1 ATOM 3097 O OXT . LEU A 1 388 ? 10.700 -83.283 -7.076 1.00 27.90 ? 470 LEU A OXT 1 HETATM 3098 C C1 . NAG B 2 . ? 17.444 -28.717 -16.612 1.00 28.26 ? 501 NAG A C1 1 HETATM 3099 C C2 . NAG B 2 . ? 16.714 -28.065 -15.435 1.00 26.02 ? 501 NAG A C2 1 HETATM 3100 C C3 . NAG B 2 . ? 15.506 -27.271 -15.919 1.00 32.98 ? 501 NAG A C3 1 HETATM 3101 C C4 . NAG B 2 . ? 15.917 -26.299 -17.019 1.00 32.04 ? 501 NAG A C4 1 HETATM 3102 C C5 . NAG B 2 . ? 16.636 -27.077 -18.121 1.00 40.79 ? 501 NAG A C5 1 HETATM 3103 C C6 . NAG B 2 . ? 17.019 -26.196 -19.313 1.00 36.09 ? 501 NAG A C6 1 HETATM 3104 C C7 . NAG B 2 . ? 16.535 -28.882 -13.149 1.00 31.60 ? 501 NAG A C7 1 HETATM 3105 C C8 . NAG B 2 . ? 16.253 -30.038 -12.234 1.00 24.49 ? 501 NAG A C8 1 HETATM 3106 N N2 . NAG B 2 . ? 16.299 -29.055 -14.451 1.00 25.14 ? 501 NAG A N2 1 HETATM 3107 O O3 . NAG B 2 . ? 14.942 -26.583 -14.826 1.00 33.23 ? 501 NAG A O3 1 HETATM 3108 O O4 . NAG B 2 . ? 14.780 -25.643 -17.541 1.00 47.30 ? 501 NAG A O4 1 HETATM 3109 O O5 . NAG B 2 . ? 17.775 -27.734 -17.581 1.00 32.50 ? 501 NAG A O5 1 HETATM 3110 O O6 . NAG B 2 . ? 17.761 -25.071 -18.894 1.00 42.49 ? 501 NAG A O6 1 HETATM 3111 O O7 . NAG B 2 . ? 16.967 -27.827 -12.690 1.00 35.57 ? 501 NAG A O7 1 HETATM 3112 C C1 . NAG C 2 . ? 7.082 -80.232 -18.517 1.00 21.06 ? 502 NAG A C1 1 HETATM 3113 C C2 . NAG C 2 . ? 6.766 -81.533 -17.774 1.00 24.91 ? 502 NAG A C2 1 HETATM 3114 C C3 . NAG C 2 . ? 7.359 -82.703 -18.550 1.00 35.46 ? 502 NAG A C3 1 HETATM 3115 C C4 . NAG C 2 . ? 6.820 -82.696 -19.976 1.00 33.58 ? 502 NAG A C4 1 HETATM 3116 C C5 . NAG C 2 . ? 6.992 -81.335 -20.641 1.00 35.01 ? 502 NAG A C5 1 HETATM 3117 C C6 . NAG C 2 . ? 6.222 -81.309 -21.954 1.00 32.64 ? 502 NAG A C6 1 HETATM 3118 C C7 . NAG C 2 . ? 6.427 -81.641 -15.357 1.00 27.50 ? 502 NAG A C7 1 HETATM 3119 C C8 . NAG C 2 . ? 7.028 -81.489 -13.991 1.00 34.85 ? 502 NAG A C8 1 HETATM 3120 N N2 . NAG C 2 . ? 7.250 -81.518 -16.402 1.00 25.83 ? 502 NAG A N2 1 HETATM 3121 O O3 . NAG C 2 . ? 7.033 -83.914 -17.912 1.00 40.75 ? 502 NAG A O3 1 HETATM 3122 O O4 . NAG C 2 . ? 7.493 -83.661 -20.753 1.00 45.54 ? 502 NAG A O4 1 HETATM 3123 O O5 . NAG C 2 . ? 6.507 -80.298 -19.810 1.00 30.84 ? 502 NAG A O5 1 HETATM 3124 O O6 . NAG C 2 . ? 6.920 -80.522 -22.890 1.00 49.45 ? 502 NAG A O6 1 HETATM 3125 O O7 . NAG C 2 . ? 5.225 -81.868 -15.469 1.00 36.22 ? 502 NAG A O7 1 HETATM 3126 C C1 . NAG D 2 . ? 1.315 -58.288 -39.767 1.00 12.49 ? 503 NAG A C1 1 HETATM 3127 C C2 . NAG D 2 . ? 0.752 -59.358 -40.716 1.00 14.35 ? 503 NAG A C2 1 HETATM 3128 C C3 . NAG D 2 . ? -0.280 -58.784 -41.691 1.00 12.57 ? 503 NAG A C3 1 HETATM 3129 C C4 . NAG D 2 . ? -1.309 -57.916 -40.974 1.00 15.11 ? 503 NAG A C4 1 HETATM 3130 C C5 . NAG D 2 . ? -0.573 -56.904 -40.094 1.00 14.52 ? 503 NAG A C5 1 HETATM 3131 C C6 . NAG D 2 . ? -1.508 -55.964 -39.331 1.00 11.62 ? 503 NAG A C6 1 HETATM 3132 C C7 . NAG D 2 . ? 2.094 -61.265 -41.444 1.00 18.72 ? 503 NAG A C7 1 HETATM 3133 C C8 . NAG D 2 . ? 3.238 -61.737 -42.301 1.00 16.81 ? 503 NAG A C8 1 HETATM 3134 N N2 . NAG D 2 . ? 1.828 -59.962 -41.484 1.00 15.34 ? 503 NAG A N2 1 HETATM 3135 O O3 . NAG D 2 . ? -0.918 -59.838 -42.381 1.00 14.14 ? 503 NAG A O3 1 HETATM 3136 O O4 . NAG D 2 . ? -2.119 -57.251 -41.932 1.00 14.63 ? 503 NAG A O4 1 HETATM 3137 O O5 . NAG D 2 . ? 0.233 -57.602 -39.165 1.00 13.08 ? 503 NAG A O5 1 HETATM 3138 O O6 . NAG D 2 . ? -2.398 -56.710 -38.532 1.00 12.27 ? 503 NAG A O6 1 HETATM 3139 O O7 . NAG D 2 . ? 1.459 -62.065 -40.754 1.00 22.04 ? 503 NAG A O7 1 HETATM 3140 C C1 . NAG E 2 . ? -3.522 -57.503 -41.715 1.00 14.77 ? 504 NAG A C1 1 HETATM 3141 C C2 . NAG E 2 . ? -4.368 -56.372 -42.291 1.00 11.09 ? 504 NAG A C2 1 HETATM 3142 C C3 . NAG E 2 . ? -5.825 -56.604 -41.895 1.00 12.42 ? 504 NAG A C3 1 HETATM 3143 C C4 . NAG E 2 . ? -6.278 -57.985 -42.367 1.00 12.34 ? 504 NAG A C4 1 HETATM 3144 C C5 . NAG E 2 . ? -5.293 -59.042 -41.857 1.00 14.18 ? 504 NAG A C5 1 HETATM 3145 C C6 . NAG E 2 . ? -5.604 -60.450 -42.354 1.00 20.71 ? 504 NAG A C6 1 HETATM 3146 C C7 . NAG E 2 . ? -3.155 -54.254 -42.543 1.00 16.70 ? 504 NAG A C7 1 HETATM 3147 C C8 . NAG E 2 . ? -2.855 -52.914 -41.937 1.00 16.96 ? 504 NAG A C8 1 HETATM 3148 N N2 . NAG E 2 . ? -3.904 -55.079 -41.816 1.00 12.79 ? 504 NAG A N2 1 HETATM 3149 O O3 . NAG E 2 . ? -6.661 -55.564 -42.369 1.00 12.16 ? 504 NAG A O3 1 HETATM 3150 O O4 . NAG E 2 . ? -7.560 -58.261 -41.850 1.00 12.08 ? 504 NAG A O4 1 HETATM 3151 O O5 . NAG E 2 . ? -3.970 -58.723 -42.254 1.00 14.32 ? 504 NAG A O5 1 HETATM 3152 O O6 . NAG E 2 . ? -5.527 -60.453 -43.762 1.00 25.98 ? 504 NAG A O6 1 HETATM 3153 O O7 . NAG E 2 . ? -2.716 -54.551 -43.657 1.00 16.37 ? 504 NAG A O7 1 HETATM 3154 C C1 . BMA F 3 . ? -8.525 -58.549 -42.875 1.00 15.01 ? 505 BMA A C1 1 HETATM 3155 C C2 . BMA F 3 . ? -9.679 -59.265 -42.183 1.00 15.89 ? 505 BMA A C2 1 HETATM 3156 C C3 . BMA F 3 . ? -10.864 -59.486 -43.105 1.00 16.35 ? 505 BMA A C3 1 HETATM 3157 C C4 . BMA F 3 . ? -11.218 -58.224 -43.873 1.00 15.93 ? 505 BMA A C4 1 HETATM 3158 C C5 . BMA F 3 . ? -9.973 -57.626 -44.525 1.00 14.62 ? 505 BMA A C5 1 HETATM 3159 C C6 . BMA F 3 . ? -10.331 -56.312 -45.198 1.00 12.44 ? 505 BMA A C6 1 HETATM 3160 O O2 . BMA F 3 . ? -10.136 -58.462 -41.084 1.00 14.71 ? 505 BMA A O2 1 HETATM 3161 O O3 . BMA F 3 . ? -11.964 -59.877 -42.279 1.00 16.39 ? 505 BMA A O3 1 HETATM 3162 O O4 . BMA F 3 . ? -12.183 -58.549 -44.887 1.00 17.80 ? 505 BMA A O4 1 HETATM 3163 O O5 . BMA F 3 . ? -8.987 -57.364 -43.523 1.00 12.87 ? 505 BMA A O5 1 HETATM 3164 O O6 . BMA F 3 . ? -9.264 -55.839 -46.031 1.00 16.38 ? 505 BMA A O6 1 HETATM 3165 C C1 . MAN G 4 . ? -12.662 -60.956 -42.921 1.00 12.73 ? 506 MAN A C1 1 HETATM 3166 C C2 . MAN G 4 . ? -13.979 -61.204 -42.205 1.00 16.17 ? 506 MAN A C2 1 HETATM 3167 C C3 . MAN G 4 . ? -13.654 -61.685 -40.788 1.00 15.28 ? 506 MAN A C3 1 HETATM 3168 C C4 . MAN G 4 . ? -12.858 -62.985 -40.867 1.00 17.26 ? 506 MAN A C4 1 HETATM 3169 C C5 . MAN G 4 . ? -11.599 -62.717 -41.696 1.00 19.37 ? 506 MAN A C5 1 HETATM 3170 C C6 . MAN G 4 . ? -10.787 -63.993 -41.904 1.00 24.14 ? 506 MAN A C6 1 HETATM 3171 O O2 . MAN G 4 . ? -14.625 -62.159 -43.022 1.00 15.17 ? 506 MAN A O2 1 HETATM 3172 O O3 . MAN G 4 . ? -14.806 -61.813 -39.973 1.00 14.07 ? 506 MAN A O3 1 HETATM 3173 O O4 . MAN G 4 . ? -12.519 -63.433 -39.564 1.00 15.41 ? 506 MAN A O4 1 HETATM 3174 O O5 . MAN G 4 . ? -11.936 -62.173 -42.968 1.00 15.13 ? 506 MAN A O5 1 HETATM 3175 O O6 . MAN G 4 . ? -9.494 -63.638 -42.340 1.00 28.17 ? 506 MAN A O6 1 HETATM 3176 C C1 . MAN H 4 . ? -15.957 -62.498 -42.618 1.00 13.89 ? 507 MAN A C1 1 HETATM 3177 C C2 . MAN H 4 . ? -16.428 -63.605 -43.553 1.00 21.14 ? 507 MAN A C2 1 HETATM 3178 C C3 . MAN H 4 . ? -16.552 -63.037 -44.964 1.00 22.35 ? 507 MAN A C3 1 HETATM 3179 C C4 . MAN H 4 . ? -17.524 -61.867 -44.932 1.00 20.92 ? 507 MAN A C4 1 HETATM 3180 C C5 . MAN H 4 . ? -17.036 -60.827 -43.926 1.00 18.38 ? 507 MAN A C5 1 HETATM 3181 C C6 . MAN H 4 . ? -18.005 -59.652 -43.838 1.00 19.10 ? 507 MAN A C6 1 HETATM 3182 O O2 . MAN H 4 . ? -17.661 -64.096 -43.080 1.00 18.19 ? 507 MAN A O2 1 HETATM 3183 O O3 . MAN H 4 . ? -16.993 -64.026 -45.871 1.00 19.75 ? 507 MAN A O3 1 HETATM 3184 O O4 . MAN H 4 . ? -17.624 -61.281 -46.214 1.00 20.66 ? 507 MAN A O4 1 HETATM 3185 O O5 . MAN H 4 . ? -16.879 -61.422 -42.645 1.00 17.07 ? 507 MAN A O5 1 HETATM 3186 O O6 . MAN H 4 . ? -19.332 -60.122 -43.722 1.00 18.62 ? 507 MAN A O6 1 HETATM 3187 C C1 . MAN I 4 . ? -17.518 -65.413 -42.517 1.00 16.42 ? 508 MAN A C1 1 HETATM 3188 C C2 . MAN I 4 . ? -18.940 -65.903 -42.279 1.00 17.11 ? 508 MAN A C2 1 HETATM 3189 C C3 . MAN I 4 . ? -19.579 -64.997 -41.236 1.00 14.57 ? 508 MAN A C3 1 HETATM 3190 C C4 . MAN I 4 . ? -18.779 -65.098 -39.947 1.00 16.34 ? 508 MAN A C4 1 HETATM 3191 C C5 . MAN I 4 . ? -17.338 -64.673 -40.236 1.00 19.73 ? 508 MAN A C5 1 HETATM 3192 C C6 . MAN I 4 . ? -16.461 -64.791 -38.989 1.00 16.99 ? 508 MAN A C6 1 HETATM 3193 O O2 . MAN I 4 . ? -18.965 -67.245 -41.838 1.00 17.63 ? 508 MAN A O2 1 HETATM 3194 O O3 . MAN I 4 . ? -20.905 -65.407 -41.008 1.00 17.15 ? 508 MAN A O3 1 HETATM 3195 O O4 . MAN I 4 . ? -19.340 -64.251 -38.962 1.00 14.00 ? 508 MAN A O4 1 HETATM 3196 O O5 . MAN I 4 . ? -16.778 -65.443 -41.300 1.00 17.04 ? 508 MAN A O5 1 HETATM 3197 O O6 . MAN I 4 . ? -16.385 -66.138 -38.571 1.00 16.40 ? 508 MAN A O6 1 HETATM 3198 C C1 . MAN J 4 . ? -9.340 -56.484 -47.314 1.00 18.26 ? 509 MAN A C1 1 HETATM 3199 C C2 . MAN J 4 . ? -8.092 -56.137 -48.116 1.00 22.62 ? 509 MAN A C2 1 HETATM 3200 C C3 . MAN J 4 . ? -8.032 -54.640 -48.393 1.00 19.96 ? 509 MAN A C3 1 HETATM 3201 C C4 . MAN J 4 . ? -9.332 -54.189 -49.053 1.00 21.21 ? 509 MAN A C4 1 HETATM 3202 C C5 . MAN J 4 . ? -10.519 -54.648 -48.213 1.00 17.63 ? 509 MAN A C5 1 HETATM 3203 C C6 . MAN J 4 . ? -11.860 -54.273 -48.833 1.00 23.74 ? 509 MAN A C6 1 HETATM 3204 O O2 . MAN J 4 . ? -8.126 -56.826 -49.345 1.00 25.05 ? 509 MAN A O2 1 HETATM 3205 O O3 . MAN J 4 . ? -6.922 -54.384 -49.228 1.00 23.53 ? 509 MAN A O3 1 HETATM 3206 O O4 . MAN J 4 . ? -9.341 -52.785 -49.152 1.00 21.12 ? 509 MAN A O4 1 HETATM 3207 O O5 . MAN J 4 . ? -10.469 -56.051 -48.057 1.00 15.00 ? 509 MAN A O5 1 HETATM 3208 O O6 . MAN J 4 . ? -11.866 -54.721 -50.174 1.00 26.02 ? 509 MAN A O6 1 HETATM 3209 C C1 . MAN K 4 . ? -13.118 -54.413 -50.821 1.00 35.98 ? 510 MAN A C1 1 HETATM 3210 C C2 . MAN K 4 . ? -13.170 -55.211 -52.116 1.00 45.81 ? 510 MAN A C2 1 HETATM 3211 C C3 . MAN K 4 . ? -11.941 -54.852 -52.939 1.00 44.13 ? 510 MAN A C3 1 HETATM 3212 C C4 . MAN K 4 . ? -11.979 -53.353 -53.200 1.00 43.80 ? 510 MAN A C4 1 HETATM 3213 C C5 . MAN K 4 . ? -12.084 -52.605 -51.878 1.00 45.20 ? 510 MAN A C5 1 HETATM 3214 C C6 . MAN K 4 . ? -12.138 -51.101 -52.100 1.00 52.13 ? 510 MAN A C6 1 HETATM 3215 O O2 . MAN K 4 . ? -14.344 -54.885 -52.833 1.00 38.71 ? 510 MAN A O2 1 HETATM 3216 O O3 . MAN K 4 . ? -11.925 -55.559 -54.161 1.00 46.83 ? 510 MAN A O3 1 HETATM 3217 O O4 . MAN K 4 . ? -10.804 -52.955 -53.860 1.00 55.33 ? 510 MAN A O4 1 HETATM 3218 O O5 . MAN K 4 . ? -13.223 -53.044 -51.159 1.00 33.99 ? 510 MAN A O5 1 HETATM 3219 O O6 . MAN K 4 . ? -11.063 -50.732 -52.935 1.00 66.29 ? 510 MAN A O6 1 HETATM 3220 C C1 . MAN L 4 . ? -5.950 -53.545 -48.572 1.00 23.38 ? 511 MAN A C1 1 HETATM 3221 C C2 . MAN L 4 . ? -4.938 -53.051 -49.608 1.00 24.98 ? 511 MAN A C2 1 HETATM 3222 C C3 . MAN L 4 . ? -4.131 -54.232 -50.143 1.00 26.61 ? 511 MAN A C3 1 HETATM 3223 C C4 . MAN L 4 . ? -3.487 -54.986 -48.989 1.00 32.80 ? 511 MAN A C4 1 HETATM 3224 C C5 . MAN L 4 . ? -4.546 -55.361 -47.953 1.00 21.45 ? 511 MAN A C5 1 HETATM 3225 C C6 . MAN L 4 . ? -3.891 -56.028 -46.746 1.00 28.71 ? 511 MAN A C6 1 HETATM 3226 O O2 . MAN L 4 . ? -4.090 -52.070 -49.038 1.00 30.97 ? 511 MAN A O2 1 HETATM 3227 O O3 . MAN L 4 . ? -3.133 -53.783 -51.030 1.00 36.82 ? 511 MAN A O3 1 HETATM 3228 O O4 . MAN L 4 . ? -2.854 -56.155 -49.470 1.00 33.70 ? 511 MAN A O4 1 HETATM 3229 O O5 . MAN L 4 . ? -5.245 -54.202 -47.534 1.00 24.25 ? 511 MAN A O5 1 HETATM 3230 O O6 . MAN L 4 . ? -4.880 -56.577 -45.903 1.00 21.60 ? 511 MAN A O6 1 HETATM 3231 CA CA . CA M 5 . ? 29.336 -62.076 -28.820 1.00 23.64 ? 512 CA A CA 1 HETATM 3232 O O . HOH N 6 . ? 39.757 -52.418 -35.370 1.00 4.92 ? 601 HOH A O 1 HETATM 3233 O O . HOH N 6 . ? 19.159 -50.706 -15.340 1.00 5.75 ? 602 HOH A O 1 HETATM 3234 O O . HOH N 6 . ? 31.026 -61.534 -19.767 1.00 7.95 ? 603 HOH A O 1 HETATM 3235 O O . HOH N 6 . ? 21.870 -45.352 -16.027 1.00 11.53 ? 604 HOH A O 1 HETATM 3236 O O . HOH N 6 . ? 31.973 -54.947 -0.852 1.00 9.22 ? 605 HOH A O 1 HETATM 3237 O O . HOH N 6 . ? 17.565 -66.732 -4.458 1.00 8.43 ? 606 HOH A O 1 HETATM 3238 O O . HOH N 6 . ? 19.563 -62.679 -5.153 1.00 7.38 ? 607 HOH A O 1 HETATM 3239 O O . HOH N 6 . ? 32.196 -44.245 -5.684 1.00 9.99 ? 608 HOH A O 1 HETATM 3240 O O . HOH N 6 . ? 25.805 -29.276 -18.145 1.00 17.39 ? 609 HOH A O 1 HETATM 3241 O O . HOH N 6 . ? 5.344 -41.918 -13.837 1.00 10.42 ? 610 HOH A O 1 HETATM 3242 O O . HOH N 6 . ? 17.838 -43.455 -15.866 1.00 10.13 ? 611 HOH A O 1 HETATM 3243 O O . HOH N 6 . ? 13.610 -67.481 -19.642 1.00 9.32 ? 612 HOH A O 1 HETATM 3244 O O . HOH N 6 . ? 21.695 -76.052 -6.231 1.00 8.92 ? 613 HOH A O 1 HETATM 3245 O O . HOH N 6 . ? 10.246 -78.377 -12.328 1.00 11.59 ? 614 HOH A O 1 HETATM 3246 O O . HOH N 6 . ? 3.680 -53.434 -25.585 1.00 9.50 ? 615 HOH A O 1 HETATM 3247 O O . HOH N 6 . ? 13.849 -60.378 -0.681 1.00 8.04 ? 616 HOH A O 1 HETATM 3248 O O . HOH N 6 . ? 2.624 -56.230 -32.677 1.00 11.48 ? 617 HOH A O 1 HETATM 3249 O O . HOH N 6 . ? 12.576 -72.129 1.000 1.00 8.09 ? 618 HOH A O 1 HETATM 3250 O O . HOH N 6 . ? 12.299 -67.033 -17.156 1.00 8.48 ? 619 HOH A O 1 HETATM 3251 O O . HOH N 6 . ? 3.192 -54.287 -28.324 1.00 8.85 ? 620 HOH A O 1 HETATM 3252 O O . HOH N 6 . ? 38.730 -63.407 -21.911 1.00 12.24 ? 621 HOH A O 1 HETATM 3253 O O . HOH N 6 . ? 29.219 -66.526 -5.512 1.00 9.81 ? 622 HOH A O 1 HETATM 3254 O O . HOH N 6 . ? 18.682 -57.467 -18.059 1.00 7.86 ? 623 HOH A O 1 HETATM 3255 O O . HOH N 6 . ? 17.748 -44.589 -12.393 1.00 9.91 ? 624 HOH A O 1 HETATM 3256 O O . HOH N 6 . ? 19.584 -52.106 -27.040 1.00 10.82 ? 625 HOH A O 1 HETATM 3257 O O . HOH N 6 . ? 34.273 -63.358 -30.974 1.00 11.47 ? 626 HOH A O 1 HETATM 3258 O O . HOH N 6 . ? 5.984 -70.386 3.498 1.00 11.35 ? 627 HOH A O 1 HETATM 3259 O O . HOH N 6 . ? 15.383 -43.769 -14.270 1.00 10.58 ? 628 HOH A O 1 HETATM 3260 O O . HOH N 6 . ? 30.822 -57.542 -1.137 1.00 9.52 ? 629 HOH A O 1 HETATM 3261 O O . HOH N 6 . ? 26.558 -66.235 -22.703 1.00 12.35 ? 630 HOH A O 1 HETATM 3262 O O . HOH N 6 . ? 37.131 -54.474 -3.347 1.00 10.93 ? 631 HOH A O 1 HETATM 3263 O O . HOH N 6 . ? 20.908 -49.525 -18.589 1.00 9.51 ? 632 HOH A O 1 HETATM 3264 O O . HOH N 6 . ? 30.936 -63.720 -27.854 1.00 12.72 ? 633 HOH A O 1 HETATM 3265 O O . HOH N 6 . ? 14.562 -61.489 -9.051 1.00 11.49 ? 634 HOH A O 1 HETATM 3266 O O . HOH N 6 . ? 29.627 -63.418 -31.070 1.00 12.56 ? 635 HOH A O 1 HETATM 3267 O O . HOH N 6 . ? 37.426 -45.972 -20.899 1.00 11.34 ? 636 HOH A O 1 HETATM 3268 O O . HOH N 6 . ? 18.582 -53.089 -0.678 1.00 10.29 ? 637 HOH A O 1 HETATM 3269 O O . HOH N 6 . ? 13.932 -65.191 -21.339 1.00 11.47 ? 638 HOH A O 1 HETATM 3270 O O . HOH N 6 . ? 11.723 -47.063 -10.351 1.00 11.46 ? 639 HOH A O 1 HETATM 3271 O O . HOH N 6 . ? 38.645 -54.989 -27.840 1.00 12.50 ? 640 HOH A O 1 HETATM 3272 O O . HOH N 6 . ? 14.116 -60.646 -11.553 1.00 8.79 ? 641 HOH A O 1 HETATM 3273 O O . HOH N 6 . ? 1.242 -60.836 -20.556 1.00 8.04 ? 642 HOH A O 1 HETATM 3274 O O . HOH N 6 . ? 13.642 -56.399 -19.691 1.00 8.97 ? 643 HOH A O 1 HETATM 3275 O O . HOH N 6 . ? 24.285 -41.348 -7.303 1.00 11.22 ? 644 HOH A O 1 HETATM 3276 O O . HOH N 6 . ? 9.214 -57.930 -35.450 1.00 10.74 ? 645 HOH A O 1 HETATM 3277 O O . HOH N 6 . ? 16.119 -41.721 -6.100 1.00 12.39 ? 646 HOH A O 1 HETATM 3278 O O . HOH N 6 . ? 3.848 -60.454 -23.828 1.00 10.53 ? 647 HOH A O 1 HETATM 3279 O O . HOH N 6 . ? 37.363 -43.192 -21.358 1.00 15.80 ? 648 HOH A O 1 HETATM 3280 O O . HOH N 6 . ? 39.314 -54.031 -5.077 1.00 12.44 ? 649 HOH A O 1 HETATM 3281 O O . HOH N 6 . ? 12.799 -63.630 -9.695 1.00 13.14 ? 650 HOH A O 1 HETATM 3282 O O . HOH N 6 . ? 4.063 -78.546 -14.965 1.00 14.54 ? 651 HOH A O 1 HETATM 3283 O O . HOH N 6 . ? 1.245 -69.666 -11.090 1.00 12.32 ? 652 HOH A O 1 HETATM 3284 O O . HOH N 6 . ? 6.655 -69.940 -6.436 1.00 9.87 ? 653 HOH A O 1 HETATM 3285 O O . HOH N 6 . ? 9.967 -39.894 -22.877 1.00 13.27 ? 654 HOH A O 1 HETATM 3286 O O . HOH N 6 . ? 34.483 -70.639 -7.787 1.00 15.18 ? 655 HOH A O 1 HETATM 3287 O O . HOH N 6 . ? 17.069 -40.833 -16.424 1.00 10.92 ? 656 HOH A O 1 HETATM 3288 O O . HOH N 6 . ? -6.876 -54.824 -44.870 1.00 17.35 ? 657 HOH A O 1 HETATM 3289 O O . HOH N 6 . ? 29.430 -54.148 0.545 1.00 11.25 ? 658 HOH A O 1 HETATM 3290 O O . HOH N 6 . ? 29.059 -59.757 -19.031 1.00 10.02 ? 659 HOH A O 1 HETATM 3291 O O . HOH N 6 . ? 26.542 -60.205 -17.919 1.00 9.43 ? 660 HOH A O 1 HETATM 3292 O O . HOH N 6 . ? 12.062 -60.674 1.533 1.00 9.97 ? 661 HOH A O 1 HETATM 3293 O O . HOH N 6 . ? 37.387 -61.133 0.837 1.00 12.32 ? 662 HOH A O 1 HETATM 3294 O O . HOH N 6 . ? 10.603 -37.575 -21.392 1.00 10.79 ? 663 HOH A O 1 HETATM 3295 O O . HOH N 6 . ? 15.420 -35.554 -18.094 1.00 11.23 ? 664 HOH A O 1 HETATM 3296 O O . HOH N 6 . ? 31.149 -34.584 -10.481 1.00 15.35 ? 665 HOH A O 1 HETATM 3297 O O . HOH N 6 . ? 11.830 -74.495 -19.646 1.00 11.30 ? 666 HOH A O 1 HETATM 3298 O O . HOH N 6 . ? 32.869 -38.827 -15.086 1.00 16.05 ? 667 HOH A O 1 HETATM 3299 O O . HOH N 6 . ? 23.718 -68.536 -15.764 1.00 10.80 ? 668 HOH A O 1 HETATM 3300 O O . HOH N 6 . ? 40.648 -47.429 -7.551 1.00 14.11 ? 669 HOH A O 1 HETATM 3301 O O . HOH N 6 . ? 22.855 -54.446 -35.044 1.00 14.41 ? 670 HOH A O 1 HETATM 3302 O O . HOH N 6 . ? 1.486 -57.535 -30.481 1.00 9.66 ? 671 HOH A O 1 HETATM 3303 O O . HOH N 6 . ? 18.648 -56.176 -28.337 1.00 11.41 ? 672 HOH A O 1 HETATM 3304 O O . HOH N 6 . ? 25.110 -55.347 -23.317 1.00 9.09 ? 673 HOH A O 1 HETATM 3305 O O . HOH N 6 . ? 30.867 -43.894 -9.380 1.00 11.03 ? 674 HOH A O 1 HETATM 3306 O O . HOH N 6 . ? 29.926 -58.171 -27.386 1.00 11.62 ? 675 HOH A O 1 HETATM 3307 O O . HOH N 6 . ? 3.079 -61.794 -14.038 1.00 11.92 ? 676 HOH A O 1 HETATM 3308 O O . HOH N 6 . ? 20.620 -71.876 -16.760 1.00 10.60 ? 677 HOH A O 1 HETATM 3309 O O . HOH N 6 . ? 23.665 -43.997 -7.860 1.00 11.78 ? 678 HOH A O 1 HETATM 3310 O O . HOH N 6 . ? 22.742 -48.778 -39.450 1.00 16.93 ? 679 HOH A O 1 HETATM 3311 O O . HOH N 6 . ? 30.004 -58.689 -35.568 1.00 14.63 ? 680 HOH A O 1 HETATM 3312 O O . HOH N 6 . ? 24.281 -54.763 -37.471 1.00 15.45 ? 681 HOH A O 1 HETATM 3313 O O . HOH N 6 . ? 20.954 -65.025 -25.266 1.00 16.28 ? 682 HOH A O 1 HETATM 3314 O O . HOH N 6 . ? 22.324 -69.860 -17.698 1.00 12.98 ? 683 HOH A O 1 HETATM 3315 O O . HOH N 6 . ? 32.341 -54.866 -19.738 1.00 10.65 ? 684 HOH A O 1 HETATM 3316 O O . HOH N 6 . ? 35.682 -67.770 -8.721 1.00 14.74 ? 685 HOH A O 1 HETATM 3317 O O . HOH N 6 . ? 21.257 -71.900 -14.150 1.00 13.09 ? 686 HOH A O 1 HETATM 3318 O O . HOH N 6 . ? 25.226 -41.331 -4.525 1.00 16.23 ? 687 HOH A O 1 HETATM 3319 O O . HOH N 6 . ? 28.122 -38.786 -29.265 1.00 17.10 ? 688 HOH A O 1 HETATM 3320 O O . HOH N 6 . ? 20.972 -68.457 -19.753 1.00 11.00 ? 689 HOH A O 1 HETATM 3321 O O . HOH N 6 . ? 18.974 -58.275 -40.487 1.00 17.16 ? 690 HOH A O 1 HETATM 3322 O O . HOH N 6 . ? 5.837 -47.300 -36.712 1.00 13.62 ? 691 HOH A O 1 HETATM 3323 O O . HOH N 6 . ? 7.595 -63.484 -30.665 1.00 13.05 ? 692 HOH A O 1 HETATM 3324 O O . HOH N 6 . ? 13.488 -38.782 -37.188 1.00 20.38 ? 693 HOH A O 1 HETATM 3325 O O . HOH N 6 . ? 17.932 -38.191 -15.996 1.00 14.19 ? 694 HOH A O 1 HETATM 3326 O O . HOH N 6 . ? 16.177 -68.093 -20.528 1.00 11.43 ? 695 HOH A O 1 HETATM 3327 O O . HOH N 6 . ? 45.209 -59.556 -30.863 0.50 22.99 ? 696 HOH A O 1 HETATM 3328 O O . HOH N 6 . ? 18.312 -69.472 -19.473 1.00 13.06 ? 697 HOH A O 1 HETATM 3329 O O . HOH N 6 . ? 11.755 -53.928 -0.030 1.00 13.85 ? 698 HOH A O 1 HETATM 3330 O O . HOH N 6 . ? 34.631 -56.004 -24.219 1.00 10.19 ? 699 HOH A O 1 HETATM 3331 O O . HOH N 6 . ? 23.061 -45.264 -5.439 1.00 16.00 ? 700 HOH A O 1 HETATM 3332 O O . HOH N 6 . ? 29.819 -68.763 -1.701 1.00 16.38 ? 701 HOH A O 1 HETATM 3333 O O . HOH N 6 . ? 18.682 -74.999 3.513 1.00 13.48 ? 702 HOH A O 1 HETATM 3334 O O . HOH N 6 . ? 18.348 -32.914 -24.060 1.00 12.83 ? 703 HOH A O 1 HETATM 3335 O O . HOH N 6 . ? 20.986 -35.314 -11.629 1.00 19.21 ? 704 HOH A O 1 HETATM 3336 O O . HOH N 6 . ? 25.788 -32.237 -21.095 1.00 23.86 ? 705 HOH A O 1 HETATM 3337 O O . HOH N 6 . ? 29.605 -57.054 -18.745 1.00 12.93 ? 706 HOH A O 1 HETATM 3338 O O . HOH N 6 . ? -1.297 -43.630 -31.594 1.00 15.07 ? 707 HOH A O 1 HETATM 3339 O O . HOH N 6 . ? 43.669 -52.520 -32.236 1.00 15.36 ? 708 HOH A O 1 HETATM 3340 O O . HOH N 6 . ? 1.055 -70.992 -3.664 1.00 13.75 ? 709 HOH A O 1 HETATM 3341 O O . HOH N 6 . ? 2.613 -63.262 -37.670 1.00 15.31 ? 710 HOH A O 1 HETATM 3342 O O . HOH N 6 . ? 6.528 -65.868 -33.885 1.00 15.86 ? 711 HOH A O 1 HETATM 3343 O O . HOH N 6 . ? 26.027 -70.136 -20.328 1.00 15.59 ? 712 HOH A O 1 HETATM 3344 O O . HOH N 6 . ? 42.268 -64.403 -27.949 1.00 18.40 ? 713 HOH A O 1 HETATM 3345 O O . HOH N 6 . ? 13.558 -62.101 -27.161 1.00 17.83 ? 714 HOH A O 1 HETATM 3346 O O . HOH N 6 . ? 34.302 -39.127 -5.950 1.00 15.53 ? 715 HOH A O 1 HETATM 3347 O O . HOH N 6 . ? 22.183 -51.027 -38.112 1.00 13.83 ? 716 HOH A O 1 HETATM 3348 O O . HOH N 6 . ? 51.441 -61.282 -21.983 1.00 19.26 ? 717 HOH A O 1 HETATM 3349 O O . HOH N 6 . ? 19.195 -49.216 -38.908 1.00 16.22 ? 718 HOH A O 1 HETATM 3350 O O . HOH N 6 . ? 24.229 -52.014 1.840 1.00 15.21 ? 719 HOH A O 1 HETATM 3351 O O . HOH N 6 . ? 27.383 -49.607 -19.715 1.00 15.92 ? 720 HOH A O 1 HETATM 3352 O O . HOH N 6 . ? 29.605 -65.789 -29.292 1.00 16.87 ? 721 HOH A O 1 HETATM 3353 O O . HOH N 6 . ? 16.500 -62.023 -34.900 1.00 19.10 ? 722 HOH A O 1 HETATM 3354 O O . HOH N 6 . ? 44.579 -47.718 -28.668 1.00 21.83 ? 723 HOH A O 1 HETATM 3355 O O . HOH N 6 . ? 24.120 -67.950 -8.433 1.00 10.98 ? 724 HOH A O 1 HETATM 3356 O O . HOH N 6 . ? 12.082 -76.651 -21.247 1.00 14.77 ? 725 HOH A O 1 HETATM 3357 O O . HOH N 6 . ? 31.935 -58.243 -4.104 1.00 13.29 ? 726 HOH A O 1 HETATM 3358 O O . HOH N 6 . ? 7.833 -47.917 -11.720 1.00 14.37 ? 727 HOH A O 1 HETATM 3359 O O . HOH N 6 . ? 31.150 -58.535 -38.039 1.00 20.28 ? 728 HOH A O 1 HETATM 3360 O O . HOH N 6 . ? 47.352 -62.179 -23.603 1.00 16.22 ? 729 HOH A O 1 HETATM 3361 O O . HOH N 6 . ? 4.359 -71.207 -19.322 1.00 20.67 ? 730 HOH A O 1 HETATM 3362 O O . HOH N 6 . ? 3.148 -54.864 -39.888 1.00 15.00 ? 731 HOH A O 1 HETATM 3363 O O . HOH N 6 . ? 2.964 -61.305 -16.805 1.00 13.21 ? 732 HOH A O 1 HETATM 3364 O O . HOH N 6 . ? 5.435 -67.131 -20.218 1.00 15.61 ? 733 HOH A O 1 HETATM 3365 O O . HOH N 6 . ? 11.549 -49.413 -3.499 1.00 13.67 ? 734 HOH A O 1 HETATM 3366 O O . HOH N 6 . ? 34.207 -64.326 -34.644 1.00 18.82 ? 735 HOH A O 1 HETATM 3367 O O . HOH N 6 . ? 16.687 -48.254 -40.094 1.00 20.27 ? 736 HOH A O 1 HETATM 3368 O O . HOH N 6 . ? 9.401 -80.038 -4.415 1.00 17.92 ? 737 HOH A O 1 HETATM 3369 O O . HOH N 6 . ? 41.200 -68.125 -26.845 1.00 16.19 ? 738 HOH A O 1 HETATM 3370 O O . HOH N 6 . ? 22.350 -39.692 -1.313 1.00 15.88 ? 739 HOH A O 1 HETATM 3371 O O . HOH N 6 . ? -3.735 -43.091 -15.568 1.00 18.32 ? 740 HOH A O 1 HETATM 3372 O O . HOH N 6 . ? 29.470 -55.403 -41.334 1.00 20.43 ? 741 HOH A O 1 HETATM 3373 O O . HOH N 6 . ? 10.342 -77.247 -9.646 1.00 14.90 ? 742 HOH A O 1 HETATM 3374 O O . HOH N 6 . ? 27.016 -51.145 -38.286 1.00 21.49 ? 743 HOH A O 1 HETATM 3375 O O . HOH N 6 . ? 20.524 -79.076 -4.968 1.00 20.13 ? 744 HOH A O 1 HETATM 3376 O O . HOH N 6 . ? 7.546 -45.163 -11.428 1.00 19.86 ? 745 HOH A O 1 HETATM 3377 O O . HOH N 6 . ? 9.113 -44.708 -36.041 1.00 16.69 ? 746 HOH A O 1 HETATM 3378 O O . HOH N 6 . ? 5.219 -39.595 -31.208 1.00 16.17 ? 747 HOH A O 1 HETATM 3379 O O . HOH N 6 . ? 12.472 -62.020 -24.453 1.00 15.64 ? 748 HOH A O 1 HETATM 3380 O O . HOH N 6 . ? 19.036 -53.634 -29.343 1.00 16.91 ? 749 HOH A O 1 HETATM 3381 O O . HOH N 6 . ? -1.350 -41.874 -14.886 1.00 20.68 ? 750 HOH A O 1 HETATM 3382 O O . HOH N 6 . ? 24.729 -34.436 -22.476 1.00 24.65 ? 751 HOH A O 1 HETATM 3383 O O . HOH N 6 . ? 39.928 -42.829 -22.552 1.00 20.90 ? 752 HOH A O 1 HETATM 3384 O O . HOH N 6 . ? 41.593 -51.186 -33.292 1.00 19.40 ? 753 HOH A O 1 HETATM 3385 O O . HOH N 6 . ? 11.479 -66.027 -9.775 1.00 12.19 ? 754 HOH A O 1 HETATM 3386 O O . HOH N 6 . ? 6.809 -64.917 -36.931 1.00 17.03 ? 755 HOH A O 1 HETATM 3387 O O . HOH N 6 . ? 19.459 -64.973 -22.904 1.00 16.29 ? 756 HOH A O 1 HETATM 3388 O O . HOH N 6 . ? 7.522 -34.254 -26.468 1.00 16.57 ? 757 HOH A O 1 HETATM 3389 O O . HOH N 6 . ? 43.852 -48.974 -8.339 1.00 21.05 ? 758 HOH A O 1 HETATM 3390 O O . HOH N 6 . ? 48.566 -55.231 -23.666 1.00 16.78 ? 759 HOH A O 1 HETATM 3391 O O . HOH N 6 . ? 35.116 -39.449 -12.440 1.00 16.32 ? 760 HOH A O 1 HETATM 3392 O O . HOH N 6 . ? 32.862 -32.581 -10.553 1.00 19.71 ? 761 HOH A O 1 HETATM 3393 O O . HOH N 6 . ? 26.357 -33.629 -32.994 1.00 21.60 ? 762 HOH A O 1 HETATM 3394 O O . HOH N 6 . ? 7.138 -55.555 -1.325 1.00 20.57 ? 763 HOH A O 1 HETATM 3395 O O . HOH N 6 . ? -2.673 -41.943 -23.253 1.00 18.85 ? 764 HOH A O 1 HETATM 3396 O O . HOH N 6 . ? 23.381 -70.989 -20.007 1.00 16.61 ? 765 HOH A O 1 HETATM 3397 O O . HOH N 6 . ? 12.105 -28.907 -16.508 1.00 19.36 ? 766 HOH A O 1 HETATM 3398 O O . HOH N 6 . ? 6.305 -34.379 -18.047 1.00 19.37 ? 767 HOH A O 1 HETATM 3399 O O . HOH N 6 . ? 27.471 -54.457 -39.756 1.00 16.76 ? 768 HOH A O 1 HETATM 3400 O O . HOH N 6 . ? 0.610 -50.905 -17.264 1.00 16.41 ? 769 HOH A O 1 HETATM 3401 O O . HOH N 6 . ? 36.797 -69.097 -28.139 1.00 19.39 ? 770 HOH A O 1 HETATM 3402 O O . HOH N 6 . ? 40.491 -53.686 0.819 1.00 20.28 ? 771 HOH A O 1 HETATM 3403 O O . HOH N 6 . ? 39.508 -47.210 2.024 1.00 20.98 ? 772 HOH A O 1 HETATM 3404 O O . HOH N 6 . ? 27.339 -37.120 -31.180 1.00 18.93 ? 773 HOH A O 1 HETATM 3405 O O . HOH N 6 . ? 6.383 -45.051 -35.106 1.00 18.61 ? 774 HOH A O 1 HETATM 3406 O O . HOH N 6 . ? 45.209 -67.625 -22.794 0.50 25.50 ? 775 HOH A O 1 HETATM 3407 O O . HOH N 6 . ? 14.353 -46.745 -2.758 1.00 18.76 ? 776 HOH A O 1 HETATM 3408 O O . HOH N 6 . ? 3.423 -47.861 -17.430 1.00 19.03 ? 777 HOH A O 1 HETATM 3409 O O . HOH N 6 . ? 38.765 -62.404 -1.234 1.00 20.63 ? 778 HOH A O 1 HETATM 3410 O O . HOH N 6 . ? 41.444 -43.919 -7.077 1.00 18.41 ? 779 HOH A O 1 HETATM 3411 O O . HOH N 6 . ? 43.672 -57.461 -32.144 1.00 22.77 ? 780 HOH A O 1 HETATM 3412 O O . HOH N 6 . ? 31.460 -69.697 -32.093 1.00 22.32 ? 781 HOH A O 1 HETATM 3413 O O . HOH N 6 . ? 23.659 -70.375 -5.189 1.00 16.88 ? 782 HOH A O 1 HETATM 3414 O O . HOH N 6 . ? 27.464 -48.182 -38.916 1.00 25.75 ? 783 HOH A O 1 HETATM 3415 O O . HOH N 6 . ? 24.738 -70.750 -8.180 1.00 18.49 ? 784 HOH A O 1 HETATM 3416 O O . HOH N 6 . ? 36.332 -45.146 -34.389 1.00 24.24 ? 785 HOH A O 1 HETATM 3417 O O . HOH N 6 . ? 33.208 -36.692 -10.573 1.00 22.92 ? 786 HOH A O 1 HETATM 3418 O O . HOH N 6 . ? 28.319 -37.913 -26.745 1.00 22.99 ? 787 HOH A O 1 HETATM 3419 O O . HOH N 6 . ? 19.322 -45.529 -3.918 1.00 20.26 ? 788 HOH A O 1 HETATM 3420 O O . HOH N 6 . ? 37.214 -54.922 -24.145 1.00 14.12 ? 789 HOH A O 1 HETATM 3421 O O . HOH N 6 . ? 17.293 -64.398 -38.489 1.00 23.77 ? 790 HOH A O 1 HETATM 3422 O O . HOH N 6 . ? 16.545 -59.506 -25.295 1.00 29.91 ? 791 HOH A O 1 HETATM 3423 O O . HOH N 6 . ? 34.821 -50.367 -39.886 1.00 20.73 ? 792 HOH A O 1 HETATM 3424 O O . HOH N 6 . ? 16.885 -57.301 -27.008 1.00 20.08 ? 793 HOH A O 1 HETATM 3425 O O . HOH N 6 . ? 21.430 -60.125 -41.977 1.00 25.52 ? 794 HOH A O 1 HETATM 3426 O O . HOH N 6 . ? 30.027 -68.538 -29.473 1.00 18.52 ? 795 HOH A O 1 HETATM 3427 O O . HOH N 6 . ? 9.900 -84.148 -23.057 1.00 31.60 ? 796 HOH A O 1 HETATM 3428 O O . HOH N 6 . ? -0.120 -51.408 -13.490 1.00 16.05 ? 797 HOH A O 1 HETATM 3429 O O . HOH N 6 . ? 47.522 -51.529 -32.003 1.00 20.60 ? 798 HOH A O 1 HETATM 3430 O O . HOH N 6 . ? 28.664 -40.976 -20.305 1.00 24.73 ? 799 HOH A O 1 HETATM 3431 O O . HOH N 6 . ? 28.428 -39.634 -24.590 1.00 18.61 ? 800 HOH A O 1 HETATM 3432 O O . HOH N 6 . ? -6.308 -52.129 -45.161 1.00 25.60 ? 801 HOH A O 1 HETATM 3433 O O . HOH N 6 . ? 21.885 -70.060 -22.084 1.00 24.83 ? 802 HOH A O 1 HETATM 3434 O O . HOH N 6 . ? 36.761 -69.902 -18.117 1.00 18.90 ? 803 HOH A O 1 HETATM 3435 O O . HOH N 6 . ? 0.273 -70.221 -25.843 1.00 24.96 ? 804 HOH A O 1 HETATM 3436 O O . HOH N 6 . ? 30.680 -43.480 -3.717 1.00 22.73 ? 805 HOH A O 1 HETATM 3437 O O . HOH N 6 . ? 12.505 -34.558 -9.855 1.00 22.23 ? 806 HOH A O 1 HETATM 3438 O O . HOH N 6 . ? 0.888 -53.058 -22.050 1.00 21.33 ? 807 HOH A O 1 HETATM 3439 O O . HOH N 6 . ? -0.995 -56.506 -44.832 1.00 24.95 ? 808 HOH A O 1 HETATM 3440 O O . HOH N 6 . ? 28.934 -70.466 -3.840 1.00 23.66 ? 809 HOH A O 1 HETATM 3441 O O . HOH N 6 . ? 23.141 -53.393 -41.307 1.00 32.42 ? 810 HOH A O 1 HETATM 3442 O O . HOH N 6 . ? 8.101 -48.525 -37.892 1.00 16.86 ? 811 HOH A O 1 HETATM 3443 O O . HOH N 6 . ? 0.092 -38.033 -18.730 1.00 23.34 ? 812 HOH A O 1 HETATM 3444 O O . HOH N 6 . ? 41.507 -45.193 -29.665 1.00 24.32 ? 813 HOH A O 1 HETATM 3445 O O . HOH N 6 . ? 24.501 -52.205 -38.620 1.00 20.79 ? 814 HOH A O 1 HETATM 3446 O O . HOH N 6 . ? 19.691 -79.585 -12.533 1.00 21.35 ? 815 HOH A O 1 HETATM 3447 O O . HOH N 6 . ? 41.309 -40.096 -16.319 1.00 24.81 ? 816 HOH A O 1 HETATM 3448 O O . HOH N 6 . ? 38.879 -45.457 -10.014 1.00 16.41 ? 817 HOH A O 1 HETATM 3449 O O . HOH N 6 . ? 17.589 -30.831 -27.564 1.00 30.21 ? 818 HOH A O 1 HETATM 3450 O O . HOH N 6 . ? 40.535 -47.498 -14.703 1.00 19.43 ? 819 HOH A O 1 HETATM 3451 O O . HOH N 6 . ? 39.105 -55.737 -38.645 1.00 25.71 ? 820 HOH A O 1 HETATM 3452 O O . HOH N 6 . ? 23.662 -75.830 -21.233 1.00 26.49 ? 821 HOH A O 1 HETATM 3453 O O . HOH N 6 . ? 14.678 -34.057 -11.658 1.00 16.08 ? 822 HOH A O 1 HETATM 3454 O O . HOH N 6 . ? 34.125 -55.811 -40.381 1.00 21.47 ? 823 HOH A O 1 HETATM 3455 O O . HOH N 6 . ? 33.787 -44.458 -34.214 1.00 25.70 ? 824 HOH A O 1 HETATM 3456 O O . HOH N 6 . ? 45.818 -60.227 -21.176 1.00 28.09 ? 825 HOH A O 1 HETATM 3457 O O . HOH N 6 . ? 24.353 -39.184 -35.344 1.00 22.91 ? 826 HOH A O 1 HETATM 3458 O O . HOH N 6 . ? 12.684 -82.082 -3.162 1.00 25.41 ? 827 HOH A O 1 HETATM 3459 O O . HOH N 6 . ? 19.297 -42.121 -39.903 1.00 25.57 ? 828 HOH A O 1 HETATM 3460 O O . HOH N 6 . ? 1.182 -58.551 -10.028 1.00 17.60 ? 829 HOH A O 1 HETATM 3461 O O . HOH N 6 . ? 19.281 -31.712 -12.674 1.00 22.09 ? 830 HOH A O 1 HETATM 3462 O O . HOH N 6 . ? 27.640 -40.738 -3.843 1.00 29.65 ? 831 HOH A O 1 HETATM 3463 O O . HOH N 6 . ? 37.336 -40.252 -10.618 1.00 22.60 ? 832 HOH A O 1 HETATM 3464 O O . HOH N 6 . ? 39.435 -69.739 -20.956 1.00 27.66 ? 833 HOH A O 1 HETATM 3465 O O . HOH N 6 . ? 31.593 -56.964 -40.300 1.00 25.29 ? 834 HOH A O 1 HETATM 3466 O O . HOH N 6 . ? 21.285 -43.582 -4.183 1.00 20.40 ? 835 HOH A O 1 HETATM 3467 O O . HOH N 6 . ? 28.102 -65.834 -37.687 1.00 29.05 ? 836 HOH A O 1 HETATM 3468 O O . HOH N 6 . ? 34.629 -63.951 -0.926 1.00 23.44 ? 837 HOH A O 1 HETATM 3469 O O . HOH N 6 . ? 47.973 -48.714 -28.966 1.00 30.49 ? 838 HOH A O 1 HETATM 3470 O O . HOH N 6 . ? 5.268 -50.476 -4.400 1.00 24.32 ? 839 HOH A O 1 HETATM 3471 O O . HOH N 6 . ? 8.016 -76.564 -13.637 1.00 18.54 ? 840 HOH A O 1 HETATM 3472 O O . HOH N 6 . ? -2.259 -59.133 -44.681 1.00 28.84 ? 841 HOH A O 1 HETATM 3473 O O . HOH N 6 . ? 24.875 -38.684 -0.910 1.00 27.12 ? 842 HOH A O 1 HETATM 3474 O O . HOH N 6 . ? 27.330 -35.666 -25.510 1.00 20.25 ? 843 HOH A O 1 HETATM 3475 O O . HOH N 6 . ? 2.369 -43.431 -32.234 1.00 20.27 ? 844 HOH A O 1 HETATM 3476 O O . HOH N 6 . ? 19.892 -78.290 -20.825 1.00 28.18 ? 845 HOH A O 1 HETATM 3477 O O . HOH N 6 . ? 35.332 -41.714 -22.171 1.00 28.84 ? 846 HOH A O 1 HETATM 3478 O O . HOH N 6 . ? 11.022 -63.140 -38.558 1.00 26.98 ? 847 HOH A O 1 HETATM 3479 O O . HOH N 6 . ? 7.897 -67.124 -22.679 1.00 20.38 ? 848 HOH A O 1 HETATM 3480 O O . HOH N 6 . ? 35.181 -72.650 -9.703 1.00 27.90 ? 849 HOH A O 1 HETATM 3481 O O . HOH N 6 . ? 8.362 -76.501 0.369 1.00 27.12 ? 850 HOH A O 1 HETATM 3482 O O . HOH N 6 . ? 6.822 -65.850 -30.125 1.00 20.96 ? 851 HOH A O 1 HETATM 3483 O O . HOH N 6 . ? -7.727 -59.185 -39.064 1.00 22.74 ? 852 HOH A O 1 HETATM 3484 O O . HOH N 6 . ? 18.146 -30.208 -24.329 1.00 22.83 ? 853 HOH A O 1 HETATM 3485 O O . HOH N 6 . ? 43.203 -56.573 -36.808 1.00 22.38 ? 854 HOH A O 1 HETATM 3486 O O . HOH N 6 . ? 25.768 -68.888 -23.116 1.00 26.55 ? 855 HOH A O 1 HETATM 3487 O O . HOH N 6 . ? 32.305 -42.568 -21.840 1.00 25.18 ? 856 HOH A O 1 HETATM 3488 O O . HOH N 6 . ? 9.021 -77.847 -21.232 1.00 20.57 ? 857 HOH A O 1 HETATM 3489 O O . HOH N 6 . ? 42.462 -48.449 -33.678 1.00 25.61 ? 858 HOH A O 1 HETATM 3490 O O . HOH N 6 . ? 15.889 -68.603 -23.269 1.00 24.87 ? 859 HOH A O 1 HETATM 3491 O O . HOH N 6 . ? 37.506 -49.720 -39.356 1.00 35.64 ? 860 HOH A O 1 HETATM 3492 O O . HOH N 6 . ? 28.537 -71.857 -26.212 1.00 36.98 ? 861 HOH A O 1 HETATM 3493 O O . HOH N 6 . ? 24.338 -73.343 -8.627 1.00 28.71 ? 862 HOH A O 1 HETATM 3494 O O . HOH N 6 . ? 45.446 -47.852 -20.081 1.00 25.93 ? 863 HOH A O 1 HETATM 3495 O O . HOH N 6 . ? 28.104 -70.228 -28.431 1.00 21.82 ? 864 HOH A O 1 HETATM 3496 O O . HOH N 6 . ? 31.349 -43.943 -29.836 1.00 31.19 ? 865 HOH A O 1 HETATM 3497 O O . HOH N 6 . ? 21.078 -79.425 -10.170 1.00 24.85 ? 866 HOH A O 1 HETATM 3498 O O . HOH N 6 . ? 16.094 -60.630 -40.891 1.00 23.38 ? 867 HOH A O 1 HETATM 3499 O O . HOH N 6 . ? -3.056 -45.528 -16.652 1.00 18.58 ? 868 HOH A O 1 HETATM 3500 O O . HOH N 6 . ? 11.131 -83.733 -9.753 1.00 41.15 ? 869 HOH A O 1 HETATM 3501 O O . HOH N 6 . ? 13.046 -69.007 -26.753 1.00 26.68 ? 870 HOH A O 1 HETATM 3502 O O . HOH N 6 . ? 20.186 -28.584 -13.943 1.00 36.13 ? 871 HOH A O 1 HETATM 3503 O O . HOH N 6 . ? 6.901 -40.369 -11.142 1.00 24.08 ? 872 HOH A O 1 HETATM 3504 O O . HOH N 6 . ? 33.705 -43.546 -31.403 1.00 26.52 ? 873 HOH A O 1 HETATM 3505 O O . HOH N 6 . ? 18.535 -60.961 -42.209 1.00 32.38 ? 874 HOH A O 1 HETATM 3506 O O . HOH N 6 . ? 4.516 -38.732 -12.691 1.00 28.68 ? 875 HOH A O 1 HETATM 3507 O O . HOH N 6 . ? 22.488 -42.196 -38.706 1.00 28.07 ? 876 HOH A O 1 HETATM 3508 O O . HOH N 6 . ? 5.101 -51.013 -1.777 1.00 26.91 ? 877 HOH A O 1 HETATM 3509 O O . HOH N 6 . ? 7.438 -49.075 -2.382 1.00 33.35 ? 878 HOH A O 1 HETATM 3510 O O . HOH N 6 . ? -11.403 -58.102 -49.742 1.00 40.80 ? 879 HOH A O 1 HETATM 3511 O O . HOH N 6 . ? 3.054 -58.320 -43.072 1.00 32.91 ? 880 HOH A O 1 HETATM 3512 O O . HOH N 6 . ? 16.905 -62.251 -31.947 1.00 34.03 ? 881 HOH A O 1 HETATM 3513 O O . HOH N 6 . ? 5.797 -59.268 -41.437 1.00 32.00 ? 882 HOH A O 1 HETATM 3514 O O . HOH N 6 . ? 24.873 -37.111 -6.578 1.00 31.41 ? 883 HOH A O 1 HETATM 3515 O O . HOH N 6 . ? 39.333 -66.250 -35.129 1.00 36.49 ? 884 HOH A O 1 HETATM 3516 O O . HOH N 6 . ? 28.622 -37.137 -33.634 1.00 31.39 ? 885 HOH A O 1 HETATM 3517 O O . HOH N 6 . ? 40.101 -41.738 -4.324 1.00 31.50 ? 886 HOH A O 1 HETATM 3518 O O . HOH N 6 . ? 38.971 -45.178 -30.012 1.00 30.64 ? 887 HOH A O 1 HETATM 3519 O O . HOH N 6 . ? 4.984 -44.828 -17.433 1.00 25.26 ? 888 HOH A O 1 HETATM 3520 O O . HOH N 6 . ? 28.542 -56.866 -43.639 1.00 28.20 ? 889 HOH A O 1 HETATM 3521 O O . HOH N 6 . ? -13.147 -66.176 -39.593 1.00 33.87 ? 890 HOH A O 1 HETATM 3522 O O . HOH N 6 . ? 27.888 -34.887 -34.976 1.00 41.75 ? 891 HOH A O 1 HETATM 3523 O O . HOH N 6 . ? 32.658 -38.893 -3.915 1.00 29.32 ? 892 HOH A O 1 HETATM 3524 O O . HOH N 6 . ? 32.192 -66.387 3.424 1.00 26.36 ? 893 HOH A O 1 HETATM 3525 O O . HOH N 6 . ? 10.904 -66.569 -36.737 1.00 31.32 ? 894 HOH A O 1 HETATM 3526 O O . HOH N 6 . ? 30.771 -53.353 -42.572 1.00 31.85 ? 895 HOH A O 1 HETATM 3527 O O . HOH N 6 . ? 44.947 -64.758 -22.036 1.00 23.97 ? 896 HOH A O 1 HETATM 3528 O O . HOH N 6 . ? 8.431 -50.277 -0.077 1.00 36.50 ? 897 HOH A O 1 HETATM 3529 O O . HOH N 6 . ? 25.191 -30.207 -10.744 1.00 28.90 ? 898 HOH A O 1 HETATM 3530 O O . HOH N 6 . ? 39.068 -61.367 -6.463 1.00 27.87 ? 899 HOH A O 1 HETATM 3531 O O . HOH N 6 . ? -11.144 -60.212 -46.695 1.00 30.35 ? 900 HOH A O 1 HETATM 3532 O O . HOH N 6 . ? 7.245 -61.154 -43.033 1.00 37.37 ? 901 HOH A O 1 HETATM 3533 O O . HOH N 6 . ? 2.468 -64.586 -40.026 1.00 29.09 ? 902 HOH A O 1 HETATM 3534 O O . HOH N 6 . ? 25.927 -30.890 -19.733 1.00 33.66 ? 903 HOH A O 1 HETATM 3535 O O . HOH N 6 . ? 11.103 -47.283 -41.648 1.00 31.84 ? 904 HOH A O 1 HETATM 3536 O O . HOH N 6 . ? 33.147 -72.510 -17.056 1.00 39.11 ? 905 HOH A O 1 HETATM 3537 O O . HOH N 6 . ? 21.612 -32.298 -11.903 1.00 30.26 ? 906 HOH A O 1 HETATM 3538 O O . HOH N 6 . ? 4.823 -72.711 2.662 1.00 28.54 ? 907 HOH A O 1 HETATM 3539 O O . HOH N 6 . ? 4.794 -53.624 -1.451 1.00 30.00 ? 908 HOH A O 1 HETATM 3540 O O . HOH N 6 . ? 43.853 -44.057 -24.634 1.00 29.33 ? 909 HOH A O 1 HETATM 3541 O O . HOH N 6 . ? 46.832 -50.617 -17.269 1.00 36.99 ? 910 HOH A O 1 HETATM 3542 O O . HOH N 6 . ? 9.148 -83.754 -3.812 1.00 34.66 ? 911 HOH A O 1 HETATM 3543 O O . HOH N 6 . ? 41.034 -43.931 -9.827 1.00 30.66 ? 912 HOH A O 1 HETATM 3544 O O . HOH N 6 . ? 35.394 -63.859 -37.275 1.00 26.05 ? 913 HOH A O 1 HETATM 3545 O O . HOH N 6 . ? 13.229 -28.225 -19.385 1.00 31.52 ? 914 HOH A O 1 HETATM 3546 O O . HOH N 6 . ? 17.981 -43.943 -41.749 1.00 26.35 ? 915 HOH A O 1 HETATM 3547 O O . HOH N 6 . ? 9.096 -65.203 -38.350 1.00 28.60 ? 916 HOH A O 1 HETATM 3548 O O . HOH N 6 . ? 3.319 -70.698 -2.651 1.00 35.59 ? 917 HOH A O 1 HETATM 3549 O O . HOH N 6 . ? -8.321 -50.753 -46.105 1.00 29.76 ? 918 HOH A O 1 HETATM 3550 O O . HOH N 6 . ? 9.577 -46.298 -38.536 1.00 24.28 ? 919 HOH A O 1 HETATM 3551 O O . HOH N 6 . ? 15.358 -83.670 -16.407 1.00 38.55 ? 920 HOH A O 1 HETATM 3552 O O . HOH N 6 . ? 32.954 -35.873 -16.566 1.00 31.58 ? 921 HOH A O 1 HETATM 3553 O O . HOH N 6 . ? 31.271 -71.820 -24.659 1.00 23.76 ? 922 HOH A O 1 HETATM 3554 O O . HOH N 6 . ? -15.799 -56.555 -51.578 1.00 46.42 ? 923 HOH A O 1 HETATM 3555 O O . HOH N 6 . ? 31.546 -41.891 -18.313 1.00 26.32 ? 924 HOH A O 1 HETATM 3556 O O . HOH N 6 . ? 22.414 -77.035 -9.574 1.00 24.89 ? 925 HOH A O 1 HETATM 3557 O O . HOH N 6 . ? -1.875 -38.979 -13.914 1.00 33.12 ? 926 HOH A O 1 HETATM 3558 O O . HOH N 6 . ? -12.539 -64.194 -45.081 1.00 34.08 ? 927 HOH A O 1 HETATM 3559 O O . HOH N 6 . ? -14.869 -58.440 -45.592 1.00 34.83 ? 928 HOH A O 1 HETATM 3560 O O . HOH N 6 . ? 25.773 -31.675 -25.823 1.00 32.41 ? 929 HOH A O 1 HETATM 3561 O O . HOH N 6 . ? -1.202 -52.816 -44.885 1.00 28.86 ? 930 HOH A O 1 HETATM 3562 O O . HOH N 6 . ? 7.784 -42.134 -8.086 1.00 27.34 ? 931 HOH A O 1 HETATM 3563 O O . HOH N 6 . ? 14.401 -36.270 -5.316 1.00 28.02 ? 932 HOH A O 1 HETATM 3564 O O . HOH N 6 . ? 40.394 -50.171 3.116 1.00 29.79 ? 933 HOH A O 1 HETATM 3565 O O . HOH N 6 . ? 34.625 -36.635 -14.442 1.00 24.24 ? 934 HOH A O 1 HETATM 3566 O O . HOH N 6 . ? -19.969 -61.734 -47.505 1.00 34.18 ? 935 HOH A O 1 HETATM 3567 O O . HOH N 6 . ? 5.300 -50.758 -40.891 1.00 35.79 ? 936 HOH A O 1 HETATM 3568 O O . HOH N 6 . ? 14.568 -58.404 -42.253 1.00 31.51 ? 937 HOH A O 1 HETATM 3569 O O . HOH N 6 . ? 15.073 -66.406 -28.480 1.00 31.85 ? 938 HOH A O 1 HETATM 3570 O O . HOH N 6 . ? 35.930 -42.538 5.560 1.00 35.83 ? 939 HOH A O 1 HETATM 3571 O O . HOH N 6 . ? 28.545 -32.930 -25.973 1.00 32.10 ? 940 HOH A O 1 HETATM 3572 O O . HOH N 6 . ? -6.351 -58.880 -46.165 1.00 38.03 ? 941 HOH A O 1 HETATM 3573 O O . HOH N 6 . ? 36.241 -42.881 -28.461 1.00 40.46 ? 942 HOH A O 1 HETATM 3574 O O . HOH N 6 . ? 37.378 -59.249 -36.861 1.00 35.79 ? 943 HOH A O 1 HETATM 3575 O O . HOH N 6 . ? 9.056 -42.005 -36.269 1.00 27.30 ? 944 HOH A O 1 HETATM 3576 O O . HOH N 6 . ? 27.571 -38.522 -3.786 1.00 39.55 ? 945 HOH A O 1 HETATM 3577 O O . HOH N 6 . ? 9.411 -45.169 -40.633 1.00 35.72 ? 946 HOH A O 1 HETATM 3578 O O . HOH N 6 . ? 27.879 -39.216 -35.511 1.00 35.86 ? 947 HOH A O 1 HETATM 3579 O O . HOH N 6 . ? 2.757 -37.514 -22.983 1.00 31.79 ? 948 HOH A O 1 HETATM 3580 O O . HOH N 6 . ? 0.469 -48.151 -16.483 1.00 27.89 ? 949 HOH A O 1 HETATM 3581 O O . HOH N 6 . ? -8.760 -62.335 -44.780 1.00 40.70 ? 950 HOH A O 1 HETATM 3582 O O . HOH N 6 . ? 11.527 -81.405 -11.631 1.00 28.75 ? 951 HOH A O 1 HETATM 3583 O O . HOH N 6 . ? 1.000 -37.057 -25.315 1.00 35.57 ? 952 HOH A O 1 HETATM 3584 O O . HOH N 6 . ? 6.986 -77.666 -7.932 1.00 33.62 ? 953 HOH A O 1 HETATM 3585 O O . HOH N 6 . ? 34.756 -62.172 -3.559 1.00 25.43 ? 954 HOH A O 1 HETATM 3586 O O . HOH N 6 . ? 27.704 -70.753 -23.802 1.00 32.50 ? 955 HOH A O 1 HETATM 3587 O O . HOH N 6 . ? 4.581 -40.952 -33.205 1.00 32.67 ? 956 HOH A O 1 HETATM 3588 O O . HOH N 6 . ? 36.578 -72.002 -19.946 1.00 43.55 ? 957 HOH A O 1 HETATM 3589 O O . HOH N 6 . ? 5.710 -46.885 -5.648 1.00 33.93 ? 958 HOH A O 1 HETATM 3590 O O . HOH N 6 . ? 9.086 -53.946 0.035 1.00 33.47 ? 959 HOH A O 1 HETATM 3591 O O . HOH N 6 . ? 19.127 -30.104 -30.782 1.00 26.94 ? 960 HOH A O 1 HETATM 3592 O O . HOH N 6 . ? 34.142 -36.937 -7.362 1.00 35.91 ? 961 HOH A O 1 HETATM 3593 O O . HOH N 6 . ? 9.561 -28.014 -17.896 1.00 39.09 ? 962 HOH A O 1 HETATM 3594 O O . HOH N 6 . ? 7.592 -49.987 -40.132 1.00 44.22 ? 963 HOH A O 1 HETATM 3595 O O . HOH N 6 . ? 45.759 -45.109 -14.098 1.00 32.49 ? 964 HOH A O 1 HETATM 3596 O O . HOH N 6 . ? 25.938 -63.796 -41.197 1.00 37.75 ? 965 HOH A O 1 HETATM 3597 O O . HOH N 6 . ? 28.751 -64.703 -40.460 1.00 41.57 ? 966 HOH A O 1 HETATM 3598 O O . HOH N 6 . ? 25.596 -37.159 -36.486 1.00 45.35 ? 967 HOH A O 1 HETATM 3599 O O . HOH N 6 . ? 25.831 -30.850 -28.492 1.00 33.33 ? 968 HOH A O 1 HETATM 3600 O O . HOH N 6 . ? 7.688 -53.641 -41.332 1.00 30.89 ? 969 HOH A O 1 HETATM 3601 O O . HOH N 6 . ? 5.303 -44.472 -12.653 1.00 28.08 ? 970 HOH A O 1 HETATM 3602 O O . HOH N 6 . ? 18.265 -64.186 -36.171 1.00 34.27 ? 971 HOH A O 1 HETATM 3603 O O . HOH N 6 . ? 29.085 -31.552 -9.275 1.00 32.43 ? 972 HOH A O 1 HETATM 3604 O O . HOH N 6 . ? -0.449 -69.198 -2.119 1.00 30.19 ? 973 HOH A O 1 HETATM 3605 O O . HOH N 6 . ? 28.956 -31.430 -21.760 1.00 30.96 ? 974 HOH A O 1 HETATM 3606 O O . HOH N 6 . ? 22.534 -29.248 -21.730 1.00 31.70 ? 975 HOH A O 1 HETATM 3607 O O . HOH N 6 . ? 27.018 -73.079 -22.240 1.00 32.86 ? 976 HOH A O 1 HETATM 3608 O O . HOH N 6 . ? 36.862 -39.070 -4.554 1.00 34.18 ? 977 HOH A O 1 HETATM 3609 O O . HOH N 6 . ? 36.407 -53.308 -41.119 1.00 34.72 ? 978 HOH A O 1 HETATM 3610 O O . HOH N 6 . ? 35.016 -71.552 -16.157 1.00 37.55 ? 979 HOH A O 1 HETATM 3611 O O . HOH N 6 . ? 22.373 -67.449 -25.790 1.00 35.05 ? 980 HOH A O 1 HETATM 3612 O O . HOH N 6 . ? 28.195 -34.418 -29.831 1.00 37.22 ? 981 HOH A O 1 HETATM 3613 O O . HOH N 6 . ? 23.525 -74.138 -1.298 1.00 40.90 ? 982 HOH A O 1 HETATM 3614 O O . HOH N 6 . ? 19.680 -28.360 -19.294 1.00 38.67 ? 983 HOH A O 1 HETATM 3615 O O . HOH N 6 . ? 27.671 -51.439 -40.727 1.00 32.15 ? 984 HOH A O 1 HETATM 3616 O O . HOH N 6 . ? 44.749 -53.738 -34.282 1.00 34.37 ? 985 HOH A O 1 HETATM 3617 O O . HOH N 6 . ? 21.829 -72.447 -0.031 1.00 29.33 ? 986 HOH A O 1 HETATM 3618 O O . HOH N 6 . ? -2.269 -62.058 -41.324 1.00 43.77 ? 987 HOH A O 1 HETATM 3619 O O . HOH N 6 . ? 49.882 -60.336 -19.858 1.00 43.71 ? 988 HOH A O 1 HETATM 3620 O O . HOH N 6 . ? 36.443 -38.255 -15.876 1.00 41.94 ? 989 HOH A O 1 HETATM 3621 O O . HOH N 6 . ? 30.725 -40.505 -3.406 1.00 35.20 ? 990 HOH A O 1 HETATM 3622 O O . HOH N 6 . ? 31.706 -58.566 -42.693 1.00 38.62 ? 991 HOH A O 1 HETATM 3623 O O . HOH N 6 . ? 37.629 -46.592 -38.610 1.00 41.13 ? 992 HOH A O 1 HETATM 3624 O O . HOH N 6 . ? -20.075 -64.565 -46.516 1.00 33.34 ? 993 HOH A O 1 HETATM 3625 O O . HOH N 6 . ? 39.313 -45.455 -32.759 1.00 43.64 ? 994 HOH A O 1 HETATM 3626 O O . HOH N 6 . ? 49.210 -52.330 -20.875 1.00 45.16 ? 995 HOH A O 1 HETATM 3627 O O . HOH N 6 . ? -15.119 -60.475 -47.357 1.00 41.02 ? 996 HOH A O 1 HETATM 3628 O O . HOH N 6 . ? -0.000 -69.915 0.000 0.25 26.67 ? 997 HOH A O 1 HETATM 3629 O O . HOH N 6 . ? 37.428 -69.533 -25.026 1.00 32.13 ? 998 HOH A O 1 HETATM 3630 O O . HOH N 6 . ? 45.209 -56.539 -33.880 0.50 37.31 ? 999 HOH A O 1 HETATM 3631 O O . HOH N 6 . ? 32.076 -67.814 0.483 1.00 32.16 ? 1000 HOH A O 1 HETATM 3632 O O . HOH N 6 . ? 1.727 -71.756 -23.985 1.00 38.26 ? 1001 HOH A O 1 HETATM 3633 O O . HOH N 6 . ? 36.973 -71.502 -11.430 1.00 42.70 ? 1002 HOH A O 1 HETATM 3634 O O . HOH N 6 . ? 19.497 -71.125 -23.510 1.00 35.85 ? 1003 HOH A O 1 HETATM 3635 O O . HOH N 6 . ? 11.085 -61.382 -41.796 1.00 34.87 ? 1004 HOH A O 1 HETATM 3636 O O . HOH N 6 . ? 44.572 -48.091 -31.455 1.00 38.67 ? 1005 HOH A O 1 HETATM 3637 O O . HOH N 6 . ? 33.126 -43.483 -37.011 1.00 35.44 ? 1006 HOH A O 1 HETATM 3638 O O . HOH N 6 . ? 45.506 -43.447 -16.630 1.00 35.05 ? 1007 HOH A O 1 HETATM 3639 O O . HOH N 6 . ? 12.716 -44.740 -1.383 1.00 35.51 ? 1008 HOH A O 1 HETATM 3640 O O . HOH N 6 . ? 45.804 -45.347 -27.127 1.00 45.71 ? 1009 HOH A O 1 HETATM 3641 O O . HOH N 6 . ? 10.997 -51.143 -43.196 1.00 38.18 ? 1010 HOH A O 1 HETATM 3642 O O . HOH N 6 . ? 36.725 -67.825 -35.538 1.00 47.07 ? 1011 HOH A O 1 HETATM 3643 O O . HOH N 6 . ? 36.881 -44.730 -37.372 1.00 43.42 ? 1012 HOH A O 1 HETATM 3644 O O . HOH N 6 . ? 28.177 -59.159 -44.172 1.00 39.00 ? 1013 HOH A O 1 HETATM 3645 O O . HOH N 6 . ? 8.435 -75.800 -9.392 1.00 31.90 ? 1014 HOH A O 1 HETATM 3646 O O . HOH N 6 . ? 15.629 -83.762 -3.794 1.00 42.84 ? 1015 HOH A O 1 HETATM 3647 O O . HOH N 6 . ? 0.620 -69.339 -28.560 1.00 46.40 ? 1016 HOH A O 1 HETATM 3648 O O . HOH N 6 . ? 7.872 -85.220 -22.553 1.00 41.52 ? 1017 HOH A O 1 HETATM 3649 O O . HOH N 6 . ? 7.407 -45.505 -8.028 1.00 28.82 ? 1018 HOH A O 1 HETATM 3650 O O . HOH N 6 . ? 22.286 -62.741 -41.347 1.00 41.89 ? 1019 HOH A O 1 HETATM 3651 O O . HOH N 6 . ? -17.430 -68.353 -39.789 1.00 31.06 ? 1020 HOH A O 1 HETATM 3652 O O . HOH N 6 . ? 6.671 -74.806 1.538 1.00 38.58 ? 1021 HOH A O 1 HETATM 3653 O O . HOH N 6 . ? 35.091 -69.924 -24.912 1.00 36.70 ? 1022 HOH A O 1 HETATM 3654 O O . HOH N 6 . ? 7.621 -76.350 -22.984 1.00 38.67 ? 1023 HOH A O 1 HETATM 3655 O O . HOH N 6 . ? -1.202 -82.334 -9.208 1.00 37.17 ? 1024 HOH A O 1 HETATM 3656 O O . HOH N 6 . ? 9.527 -49.245 -42.049 1.00 31.47 ? 1025 HOH A O 1 HETATM 3657 O O . HOH N 6 . ? -0.528 -49.829 -11.301 1.00 28.19 ? 1026 HOH A O 1 HETATM 3658 O O . HOH N 6 . ? 5.137 -55.339 -41.979 1.00 38.74 ? 1027 HOH A O 1 HETATM 3659 O O . HOH N 6 . ? 38.652 -60.074 -10.496 1.00 32.65 ? 1028 HOH A O 1 HETATM 3660 O O . HOH N 6 . ? 6.037 -78.169 -12.855 1.00 29.33 ? 1029 HOH A O 1 HETATM 3661 O O . HOH N 6 . ? 31.958 -40.777 -0.930 1.00 32.80 ? 1030 HOH A O 1 HETATM 3662 O O . HOH N 6 . ? 51.853 -52.717 -25.772 1.00 27.73 ? 1031 HOH A O 1 HETATM 3663 O O . HOH N 6 . ? 13.367 -85.438 -9.962 1.00 44.42 ? 1032 HOH A O 1 HETATM 3664 O O . HOH N 6 . ? 34.003 -72.015 -5.407 1.00 41.60 ? 1033 HOH A O 1 HETATM 3665 O O . HOH N 6 . ? 4.208 -80.094 -17.014 1.00 37.70 ? 1034 HOH A O 1 HETATM 3666 O O . HOH N 6 . ? 1.658 -48.482 -7.391 1.00 34.15 ? 1035 HOH A O 1 HETATM 3667 O O . HOH N 6 . ? 36.447 -41.212 -26.745 1.00 45.99 ? 1036 HOH A O 1 HETATM 3668 O O . HOH N 6 . ? -0.536 -39.919 -28.523 1.00 36.32 ? 1037 HOH A O 1 HETATM 3669 O O . HOH N 6 . ? 51.458 -50.519 -23.677 1.00 43.26 ? 1038 HOH A O 1 HETATM 3670 O O . HOH N 6 . ? 24.804 -76.468 -11.381 1.00 28.85 ? 1039 HOH A O 1 HETATM 3671 O O . HOH N 6 . ? 19.377 -61.581 -27.575 1.00 31.44 ? 1040 HOH A O 1 HETATM 3672 O O . HOH N 6 . ? 16.830 -76.710 -21.477 1.00 23.45 ? 1041 HOH A O 1 HETATM 3673 O O . HOH N 6 . ? 13.785 -81.581 -0.278 1.00 25.74 ? 1042 HOH A O 1 HETATM 3674 O O . HOH N 6 . ? 39.788 -43.859 -0.275 1.00 24.56 ? 1043 HOH A O 1 HETATM 3675 O O . HOH N 6 . ? 17.455 -38.884 -38.420 1.00 37.91 ? 1044 HOH A O 1 HETATM 3676 O O . HOH N 6 . ? 20.565 -61.532 -29.569 1.00 40.73 ? 1045 HOH A O 1 HETATM 3677 O O . HOH N 6 . ? 19.369 -31.758 -32.725 1.00 35.83 ? 1046 HOH A O 1 HETATM 3678 O O . HOH N 6 . ? 23.275 -69.196 -23.878 1.00 36.31 ? 1047 HOH A O 1 HETATM 3679 O O . HOH N 6 . ? -0.649 -48.739 -13.984 1.00 30.13 ? 1048 HOH A O 1 HETATM 3680 O O . HOH N 6 . ? -0.000 -57.668 0.000 0.25 30.38 ? 1049 HOH A O 1 HETATM 3681 O O . HOH N 6 . ? 43.701 -45.503 -12.854 1.00 30.28 ? 1050 HOH A O 1 HETATM 3682 O O . HOH N 6 . ? 19.619 -38.755 -39.340 1.00 40.41 ? 1051 HOH A O 1 HETATM 3683 O O . HOH N 6 . ? 5.665 -71.772 -3.404 1.00 34.75 ? 1052 HOH A O 1 HETATM 3684 O O . HOH N 6 . ? 23.621 -38.561 -7.702 1.00 34.83 ? 1053 HOH A O 1 HETATM 3685 O O . HOH N 6 . ? 9.471 -67.464 -30.233 1.00 33.39 ? 1054 HOH A O 1 HETATM 3686 O O . HOH N 6 . ? 29.632 -35.781 -2.944 1.00 35.80 ? 1055 HOH A O 1 HETATM 3687 O O . HOH N 6 . ? 22.297 -29.105 -18.138 1.00 33.19 ? 1056 HOH A O 1 HETATM 3688 O O . HOH N 6 . ? 29.732 -33.296 -23.579 1.00 31.67 ? 1057 HOH A O 1 HETATM 3689 O O . HOH N 6 . ? 2.451 -80.560 -14.130 1.00 28.58 ? 1058 HOH A O 1 HETATM 3690 O O . HOH N 6 . ? 8.718 -34.965 -33.118 1.00 32.81 ? 1059 HOH A O 1 HETATM 3691 O O . HOH N 6 . ? 40.919 -49.404 -36.218 1.00 30.12 ? 1060 HOH A O 1 HETATM 3692 O O . HOH N 6 . ? 21.687 -35.487 -37.015 1.00 31.46 ? 1061 HOH A O 1 HETATM 3693 O O . HOH N 6 . ? 37.462 -62.780 -10.085 1.00 30.86 ? 1062 HOH A O 1 HETATM 3694 O O . HOH N 6 . ? 4.205 -35.619 -16.142 1.00 35.25 ? 1063 HOH A O 1 HETATM 3695 O O . HOH N 6 . ? 21.412 -81.058 -14.248 1.00 37.73 ? 1064 HOH A O 1 HETATM 3696 O O . HOH N 6 . ? 30.588 -30.077 -14.281 1.00 39.19 ? 1065 HOH A O 1 HETATM 3697 O O . HOH N 6 . ? 33.105 -35.085 -7.062 1.00 44.22 ? 1066 HOH A O 1 HETATM 3698 O O . HOH N 6 . ? 37.238 -69.806 -32.368 1.00 34.99 ? 1067 HOH A O 1 HETATM 3699 O O . HOH N 6 . ? 24.589 -28.831 -23.545 1.00 33.37 ? 1068 HOH A O 1 HETATM 3700 O O . HOH N 6 . ? 40.693 -41.539 -10.891 1.00 44.51 ? 1069 HOH A O 1 HETATM 3701 O O . HOH N 6 . ? 5.793 -74.549 -1.690 1.00 38.22 ? 1070 HOH A O 1 HETATM 3702 O O . HOH N 6 . ? 9.530 -42.381 -39.519 1.00 36.04 ? 1071 HOH A O 1 HETATM 3703 O O . HOH N 6 . ? 34.264 -41.451 -27.974 1.00 47.56 ? 1072 HOH A O 1 HETATM 3704 O O . HOH N 6 . ? -16.360 -54.146 -51.349 1.00 41.20 ? 1073 HOH A O 1 HETATM 3705 O O . HOH N 6 . ? 48.145 -54.392 -15.582 1.00 39.80 ? 1074 HOH A O 1 HETATM 3706 O O . HOH N 6 . ? 2.846 -71.647 -21.553 1.00 35.26 ? 1075 HOH A O 1 HETATM 3707 O O . HOH N 6 . ? 33.750 -39.680 -18.695 1.00 35.31 ? 1076 HOH A O 1 HETATM 3708 O O . HOH N 6 . ? 34.905 -40.812 -24.598 1.00 42.79 ? 1077 HOH A O 1 HETATM 3709 O O . HOH N 6 . ? 2.374 -39.949 -34.397 1.00 29.06 ? 1078 HOH A O 1 HETATM 3710 O O . HOH N 6 . ? 31.917 -36.271 -4.016 1.00 31.80 ? 1079 HOH A O 1 HETATM 3711 O O . HOH N 6 . ? 29.935 -44.631 -39.820 1.00 37.81 ? 1080 HOH A O 1 HETATM 3712 O O . HOH N 6 . ? 39.120 -52.033 -38.201 1.00 39.50 ? 1081 HOH A O 1 HETATM 3713 O O . HOH N 6 . ? 4.390 -69.724 -25.037 1.00 38.14 ? 1082 HOH A O 1 HETATM 3714 O O . HOH N 6 . ? 33.380 -33.996 -18.361 1.00 33.48 ? 1083 HOH A O 1 HETATM 3715 O O . HOH N 6 . ? 3.786 -67.911 -27.765 1.00 38.70 ? 1084 HOH A O 1 HETATM 3716 O O . HOH N 6 . ? 13.140 -64.860 -36.600 1.00 38.09 ? 1085 HOH A O 1 HETATM 3717 O O . HOH N 6 . ? 17.257 -56.405 -41.654 1.00 43.70 ? 1086 HOH A O 1 HETATM 3718 O O . HOH N 6 . ? -0.332 -56.247 -47.397 1.00 33.38 ? 1087 HOH A O 1 HETATM 3719 O O . HOH N 6 . ? 14.799 -66.676 -31.247 1.00 38.71 ? 1088 HOH A O 1 HETATM 3720 O O . HOH N 6 . ? 6.328 -69.663 -22.964 1.00 37.16 ? 1089 HOH A O 1 HETATM 3721 O O . HOH N 6 . ? 28.835 -29.412 -23.695 1.00 40.79 ? 1090 HOH A O 1 HETATM 3722 O O . HOH N 6 . ? 33.760 -70.784 -31.369 1.00 35.99 ? 1091 HOH A O 1 HETATM 3723 O O . HOH N 6 . ? 31.677 -73.418 -13.099 1.00 46.80 ? 1092 HOH A O 1 HETATM 3724 O O . HOH N 6 . ? 31.035 -39.232 -29.604 1.00 32.46 ? 1093 HOH A O 1 HETATM 3725 O O . HOH N 6 . ? -4.309 -51.222 -46.599 1.00 45.53 ? 1094 HOH A O 1 HETATM 3726 O O . HOH N 6 . ? 25.016 -77.989 -16.940 1.00 39.76 ? 1095 HOH A O 1 HETATM 3727 O O . HOH N 6 . ? 48.491 -48.009 -25.546 1.00 39.12 ? 1096 HOH A O 1 HETATM 3728 O O . HOH N 6 . ? 13.960 -84.021 -12.545 1.00 34.61 ? 1097 HOH A O 1 HETATM 3729 O O . HOH N 6 . ? 31.316 -30.465 -8.828 1.00 34.44 ? 1098 HOH A O 1 HETATM 3730 O O . HOH N 6 . ? 13.944 -39.334 -39.339 1.00 46.43 ? 1099 HOH A O 1 HETATM 3731 O O . HOH N 6 . ? -2.516 -50.257 -45.103 1.00 43.82 ? 1100 HOH A O 1 HETATM 3732 O O . HOH N 6 . ? 13.904 -30.846 -26.267 1.00 42.87 ? 1101 HOH A O 1 HETATM 3733 O O . HOH N 6 . ? 14.152 -76.969 -22.849 1.00 40.54 ? 1102 HOH A O 1 HETATM 3734 O O . HOH N 6 . ? -7.131 -63.367 -40.884 1.00 38.97 ? 1103 HOH A O 1 HETATM 3735 O O . HOH N 6 . ? 24.602 -31.869 -34.637 1.00 37.09 ? 1104 HOH A O 1 HETATM 3736 O O . HOH N 6 . ? 20.337 -73.624 1.869 1.00 39.01 ? 1105 HOH A O 1 HETATM 3737 O O . HOH N 6 . ? 26.413 -61.702 -43.529 1.00 39.23 ? 1106 HOH A O 1 HETATM 3738 O O . HOH N 6 . ? -20.188 -68.688 -43.952 1.00 34.04 ? 1107 HOH A O 1 HETATM 3739 O O . HOH N 6 . ? 31.400 -49.286 -40.120 1.00 32.18 ? 1108 HOH A O 1 HETATM 3740 O O . HOH N 6 . ? 14.316 -30.648 -24.500 1.00 44.55 ? 1109 HOH A O 1 HETATM 3741 O O . HOH N 6 . ? 42.851 -52.697 1.087 1.00 37.70 ? 1110 HOH A O 1 HETATM 3742 O O . HOH N 6 . ? 13.913 -62.395 -41.911 1.00 41.66 ? 1111 HOH A O 1 HETATM 3743 O O . HOH N 6 . ? 1.399 -56.075 -43.787 1.00 41.25 ? 1112 HOH A O 1 HETATM 3744 O O . HOH N 6 . ? 20.494 -50.253 -40.994 1.00 34.53 ? 1113 HOH A O 1 HETATM 3745 O O . HOH N 6 . ? 36.055 -41.737 1.146 1.00 39.94 ? 1114 HOH A O 1 HETATM 3746 O O . HOH N 6 . ? 9.912 -79.811 -23.032 1.00 35.80 ? 1115 HOH A O 1 HETATM 3747 O O . HOH N 6 . ? 24.568 -70.046 -31.217 1.00 45.33 ? 1116 HOH A O 1 HETATM 3748 O O . HOH N 6 . ? 30.819 -41.111 1.463 1.00 41.10 ? 1117 HOH A O 1 HETATM 3749 O O . HOH N 6 . ? 29.385 -72.978 -12.840 1.00 40.91 ? 1118 HOH A O 1 HETATM 3750 O O . HOH N 6 . ? 23.287 -32.079 -3.849 1.00 41.99 ? 1119 HOH A O 1 HETATM 3751 O O . HOH N 6 . ? 17.798 -75.597 -23.984 1.00 42.53 ? 1120 HOH A O 1 HETATM 3752 O O . HOH N 6 . ? 3.506 -74.459 3.699 1.00 36.79 ? 1121 HOH A O 1 HETATM 3753 O O . HOH N 6 . ? 7.051 -64.021 -42.345 1.00 39.71 ? 1122 HOH A O 1 HETATM 3754 O O . HOH N 6 . ? 50.451 -56.896 -21.061 1.00 42.15 ? 1123 HOH A O 1 HETATM 3755 O O . HOH N 6 . ? 25.715 -53.305 -41.844 1.00 39.31 ? 1124 HOH A O 1 HETATM 3756 O O . HOH N 6 . ? 39.000 -38.844 -6.885 1.00 41.11 ? 1125 HOH A O 1 HETATM 3757 O O . HOH N 6 . ? 33.698 -53.778 -42.618 1.00 42.29 ? 1126 HOH A O 1 HETATM 3758 O O . HOH N 6 . ? 6.952 -33.907 -29.392 1.00 40.05 ? 1127 HOH A O 1 HETATM 3759 O O . HOH N 6 . ? 26.408 -71.399 -2.501 1.00 44.26 ? 1128 HOH A O 1 HETATM 3760 O O . HOH N 6 . ? 0.220 -53.497 -47.257 1.00 39.44 ? 1129 HOH A O 1 HETATM 3761 O O . HOH N 6 . ? 16.668 -65.044 -31.873 1.00 44.81 ? 1130 HOH A O 1 HETATM 3762 O O . HOH N 6 . ? 10.528 -68.114 -32.031 1.00 39.29 ? 1131 HOH A O 1 HETATM 3763 O O . HOH N 6 . ? 6.885 -87.399 -22.566 1.00 48.13 ? 1132 HOH A O 1 HETATM 3764 O O . HOH N 6 . ? 18.420 -52.419 -44.253 1.00 46.11 ? 1133 HOH A O 1 HETATM 3765 O O . HOH N 6 . ? 40.200 -56.007 -41.091 1.00 42.61 ? 1134 HOH A O 1 HETATM 3766 O O . HOH N 6 . ? 24.409 -78.002 -13.538 1.00 39.45 ? 1135 HOH A O 1 HETATM 3767 O O . HOH N 6 . ? 49.218 -51.793 -15.809 1.00 43.69 ? 1136 HOH A O 1 HETATM 3768 O O . HOH N 6 . ? 3.223 -81.464 -11.524 1.00 38.46 ? 1137 HOH A O 1 HETATM 3769 O O . HOH N 6 . ? 46.534 -45.539 -18.990 1.00 39.64 ? 1138 HOH A O 1 HETATM 3770 O O . HOH N 6 . ? 2.965 -39.442 -29.811 1.00 42.33 ? 1139 HOH A O 1 HETATM 3771 O O . HOH N 6 . ? 28.983 -68.656 -37.981 1.00 42.03 ? 1140 HOH A O 1 HETATM 3772 O O . HOH N 6 . ? 10.390 -39.428 -36.518 1.00 42.38 ? 1141 HOH A O 1 HETATM 3773 O O . HOH N 6 . ? 13.173 -34.325 -7.375 1.00 36.78 ? 1142 HOH A O 1 HETATM 3774 O O . HOH N 6 . ? 14.119 -60.300 -23.881 1.00 44.84 ? 1143 HOH A O 1 HETATM 3775 O O . HOH N 6 . ? 15.300 -49.813 -41.865 1.00 46.29 ? 1144 HOH A O 1 HETATM 3776 O O . HOH N 6 . ? 8.754 -29.050 -21.798 1.00 44.58 ? 1145 HOH A O 1 HETATM 3777 O O . HOH N 6 . ? 24.952 -74.185 -6.675 1.00 43.44 ? 1146 HOH A O 1 HETATM 3778 O O . HOH N 6 . ? 31.042 -39.714 -23.196 1.00 42.49 ? 1147 HOH A O 1 HETATM 3779 O O . HOH N 6 . ? 14.563 -52.697 -42.379 1.00 41.33 ? 1148 HOH A O 1 HETATM 3780 O O . HOH N 6 . ? 21.267 -33.052 -9.534 1.00 40.47 ? 1149 HOH A O 1 HETATM 3781 O O . HOH N 6 . ? -8.567 -52.210 -51.785 1.00 41.10 ? 1150 HOH A O 1 HETATM 3782 O O . HOH N 6 . ? 33.378 -70.948 -26.047 1.00 45.41 ? 1151 HOH A O 1 HETATM 3783 O O . HOH N 6 . ? 21.835 -27.499 -15.945 1.00 43.90 ? 1152 HOH A O 1 HETATM 3784 O O . HOH N 6 . ? 32.280 -39.764 -21.316 1.00 38.86 ? 1153 HOH A O 1 HETATM 3785 O O . HOH N 6 . ? -7.117 -59.239 -48.845 1.00 41.93 ? 1154 HOH A O 1 HETATM 3786 O O . HOH N 6 . ? 24.507 -77.935 -19.462 1.00 49.16 ? 1155 HOH A O 1 HETATM 3787 O O . HOH N 6 . ? 26.609 -47.083 -41.346 1.00 40.09 ? 1156 HOH A O 1 HETATM 3788 O O . HOH N 6 . ? 37.969 -43.972 -32.068 1.00 53.68 ? 1157 HOH A O 1 HETATM 3789 O O . HOH N 6 . ? 20.440 -80.698 -7.520 1.00 41.88 ? 1158 HOH A O 1 HETATM 3790 O O . HOH N 6 . ? -13.915 -66.739 -41.932 1.00 44.36 ? 1159 HOH A O 1 HETATM 3791 O O . HOH N 6 . ? 18.782 -66.333 -34.060 1.00 43.77 ? 1160 HOH A O 1 HETATM 3792 O O . HOH N 6 . ? 32.139 -44.923 -39.371 1.00 50.47 ? 1161 HOH A O 1 HETATM 3793 O O . HOH N 6 . ? 29.995 -50.908 -41.540 1.00 37.00 ? 1162 HOH A O 1 HETATM 3794 O O . HOH N 6 . ? 6.788 -31.021 -19.520 1.00 42.25 ? 1163 HOH A O 1 HETATM 3795 O O . HOH N 6 . ? -18.253 -68.056 -45.607 1.00 46.44 ? 1164 HOH A O 1 HETATM 3796 O O . HOH N 6 . ? 31.731 -37.413 -31.074 1.00 43.96 ? 1165 HOH A O 1 HETATM 3797 O O . HOH N 6 . ? 44.011 -44.764 -10.460 1.00 39.80 ? 1166 HOH A O 1 HETATM 3798 O O . HOH N 6 . ? 43.737 -52.863 -36.496 1.00 49.41 ? 1167 HOH A O 1 HETATM 3799 O O . HOH N 6 . ? 23.879 -73.078 -23.280 1.00 40.67 ? 1168 HOH A O 1 HETATM 3800 O O . HOH N 6 . ? 36.443 -71.196 -23.078 1.00 44.99 ? 1169 HOH A O 1 HETATM 3801 O O . HOH N 6 . ? 48.495 -48.984 -21.868 1.00 41.53 ? 1170 HOH A O 1 HETATM 3802 O O . HOH N 6 . ? 29.539 -30.953 -11.751 1.00 48.53 ? 1171 HOH A O 1 HETATM 3803 O O . HOH N 6 . ? 8.084 -78.473 2.289 1.00 38.17 ? 1172 HOH A O 1 HETATM 3804 O O . HOH N 6 . ? 22.476 -32.633 -5.697 1.00 46.46 ? 1173 HOH A O 1 HETATM 3805 O O . HOH N 6 . ? 26.363 -76.934 -20.485 1.00 48.79 ? 1174 HOH A O 1 HETATM 3806 O O . HOH N 6 . ? 32.661 -38.939 -27.619 1.00 46.85 ? 1175 HOH A O 1 HETATM 3807 O O . HOH N 6 . ? 11.337 -28.584 -21.604 1.00 41.26 ? 1176 HOH A O 1 HETATM 3808 O O . HOH N 6 . ? -7.196 -56.249 -51.980 1.00 40.63 ? 1177 HOH A O 1 HETATM 3809 O O . HOH N 6 . ? 42.499 -53.888 -38.386 1.00 44.69 ? 1178 HOH A O 1 HETATM 3810 O O . HOH N 6 . ? 31.007 -36.479 -26.958 1.00 49.34 ? 1179 HOH A O 1 HETATM 3811 O O . HOH N 6 . ? -0.785 -52.086 -49.776 1.00 40.54 ? 1180 HOH A O 1 HETATM 3812 O O . HOH N 6 . ? 34.316 -40.863 -31.061 1.00 49.59 ? 1181 HOH A O 1 HETATM 3813 O O . HOH N 6 . ? 50.674 -54.465 -20.250 1.00 42.01 ? 1182 HOH A O 1 HETATM 3814 O O . HOH N 6 . ? 33.336 -48.454 -40.993 1.00 45.59 ? 1183 HOH A O 1 HETATM 3815 O O . HOH N 6 . ? 23.328 -50.290 -41.779 1.00 44.12 ? 1184 HOH A O 1 HETATM 3816 O O . HOH N 6 . ? 36.702 -69.509 -6.770 1.00 40.91 ? 1185 HOH A O 1 HETATM 3817 O O . HOH N 6 . ? 3.120 -79.715 -19.360 1.00 40.23 ? 1186 HOH A O 1 HETATM 3818 O O . HOH N 6 . ? 16.169 -24.968 -12.799 1.00 41.79 ? 1187 HOH A O 1 HETATM 3819 O O . HOH N 6 . ? -0.000 -54.765 0.000 0.25 43.14 ? 1188 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ARG A 1 ? 0.4643 0.4311 0.4847 0.0004 0.0039 -0.0002 83 ARG A N 2 C CA . ARG A 1 ? 0.4574 0.4237 0.4775 -0.0014 0.0038 -0.0005 83 ARG A CA 3 C C . ARG A 1 ? 0.3241 0.2901 0.3445 -0.0020 0.0037 0.0017 83 ARG A C 4 O O . ARG A 1 ? 0.4070 0.3722 0.4279 -0.0010 0.0038 0.0034 83 ARG A O 5 C CB . ARG A 1 ? 0.6106 0.5794 0.6299 -0.0023 0.0036 -0.0016 83 ARG A CB 6 C CG . ARG A 1 ? 0.7499 0.7209 0.7690 -0.0013 0.0037 -0.0018 83 ARG A CG 7 C CD . ARG A 1 ? 0.7992 0.7722 0.8175 -0.0022 0.0035 -0.0031 83 ARG A CD 8 N NE . ARG A 1 ? 0.8516 0.8268 0.8697 -0.0017 0.0035 -0.0024 83 ARG A NE 9 C CZ . ARG A 1 ? 0.9204 0.8975 0.9379 -0.0020 0.0035 -0.0035 83 ARG A CZ 10 N NH1 . ARG A 1 ? 0.7533 0.7306 0.7703 -0.0028 0.0034 -0.0053 83 ARG A NH1 11 N NH2 . ARG A 1 ? 0.9324 0.9111 0.9497 -0.0016 0.0035 -0.0029 83 ARG A NH2 12 N N . ASN A 2 ? 0.3176 0.2843 0.3377 -0.0036 0.0036 0.0017 84 ASN A N 13 C CA . ASN A 2 ? 0.2578 0.2245 0.2781 -0.0044 0.0036 0.0038 84 ASN A CA 14 C C . ASN A 2 ? 0.2135 0.1831 0.2334 -0.0049 0.0036 0.0047 84 ASN A C 15 O O . ASN A 2 ? 0.2207 0.1920 0.2402 -0.0054 0.0035 0.0035 84 ASN A O 16 C CB . ASN A 2 ? 0.3411 0.3059 0.3616 -0.0059 0.0036 0.0034 84 ASN A CB 17 C CG . ASN A 2 ? 0.5199 0.4813 0.5409 -0.0054 0.0037 0.0033 84 ASN A CG 18 O OD1 . ASN A 2 ? 0.4241 0.3844 0.4456 -0.0047 0.0038 0.0051 84 ASN A OD1 19 N ND2 . ASN A 2 ? 0.4716 0.4314 0.4925 -0.0057 0.0036 0.0012 84 ASN A ND2 20 N N . PHE A 3 ? 0.1700 0.1401 0.1901 -0.0049 0.0037 0.0069 85 PHE A N 21 C CA . PHE A 3 ? 0.1511 0.1240 0.1709 -0.0054 0.0038 0.0079 85 PHE A CA 22 C C . PHE A 3 ? 0.1757 0.1491 0.1954 -0.0071 0.0037 0.0072 85 PHE A C 23 O O . PHE A 3 ? 0.1876 0.1592 0.2076 -0.0081 0.0037 0.0070 85 PHE A O 24 C CB . PHE A 3 ? 0.1588 0.1321 0.1787 -0.0051 0.0040 0.0104 85 PHE A CB 25 C CG . PHE A 3 ? 0.1738 0.1474 0.1937 -0.0034 0.0040 0.0114 85 PHE A CG 26 C CD1 . PHE A 3 ? 0.1701 0.1454 0.1896 -0.0025 0.0039 0.0108 85 PHE A CD1 27 C CD2 . PHE A 3 ? 0.1897 0.1621 0.2099 -0.0028 0.0041 0.0131 85 PHE A CD2 28 C CE1 . PHE A 3 ? 0.1764 0.1521 0.1958 -0.0010 0.0039 0.0119 85 PHE A CE1 29 C CE2 . PHE A 3 ? 0.1997 0.1728 0.2200 -0.0012 0.0040 0.0142 85 PHE A CE2 30 C CZ . PHE A 3 ? 0.1635 0.1383 0.1834 -0.0003 0.0039 0.0136 85 PHE A CZ 31 N N . ASN A 4 ? 0.1675 0.1433 0.1867 -0.0075 0.0036 0.0068 86 ASN A N 32 C CA . ASN A 4 ? 0.1523 0.1291 0.1715 -0.0091 0.0036 0.0063 86 ASN A CA 33 C C . ASN A 4 ? 0.1464 0.1240 0.1659 -0.0099 0.0038 0.0082 86 ASN A C 34 O O . ASN A 4 ? 0.1571 0.1359 0.1765 -0.0092 0.0040 0.0098 86 ASN A O 35 C CB . ASN A 4 ? 0.1378 0.1172 0.1565 -0.0092 0.0034 0.0054 86 ASN A CB 36 C CG . ASN A 4 ? 0.1642 0.1450 0.1831 -0.0107 0.0033 0.0050 86 ASN A CG 37 O OD1 . ASN A 4 ? 0.1933 0.1764 0.2122 -0.0111 0.0034 0.0059 86 ASN A OD1 38 N ND2 . ASN A 4 ? 0.1420 0.1214 0.1609 -0.0116 0.0030 0.0036 86 ASN A ND2 39 N N . ASN A 5 ? 0.1474 0.1244 0.1673 -0.0114 0.0037 0.0079 87 ASN A N 40 C CA . ASN A 5 ? 0.1377 0.1158 0.1580 -0.0123 0.0040 0.0095 87 ASN A CA 41 C C . ASN A 5 ? 0.1433 0.1239 0.1636 -0.0136 0.0039 0.0090 87 ASN A C 42 O O . ASN A 5 ? 0.1996 0.1801 0.2199 -0.0142 0.0036 0.0072 87 ASN A O 43 C CB . ASN A 5 ? 0.1800 0.1554 0.2008 -0.0132 0.0041 0.0100 87 ASN A CB 44 C CG . ASN A 5 ? 0.2846 0.2574 0.3054 -0.0119 0.0041 0.0107 87 ASN A CG 45 O OD1 . ASN A 5 ? 0.2059 0.1796 0.2266 -0.0107 0.0043 0.0120 87 ASN A OD1 46 N ND2 . ASN A 5 ? 0.2714 0.2412 0.2925 -0.0121 0.0040 0.0097 87 ASN A ND2 47 N N . LEU A 6 ? 0.1570 0.1400 0.1774 -0.0138 0.0042 0.0104 88 LEU A N 48 C CA . LEU A 6 ? 0.1082 0.0939 0.1289 -0.0148 0.0043 0.0101 88 LEU A CA 49 C C . LEU A 6 ? 0.1567 0.1418 0.1780 -0.0166 0.0043 0.0102 88 LEU A C 50 O O . LEU A 6 ? 0.2107 0.1965 0.2324 -0.0170 0.0047 0.0117 88 LEU A O 51 C CB . LEU A 6 ? 0.1207 0.1094 0.1412 -0.0142 0.0047 0.0115 88 LEU A CB 52 C CG . LEU A 6 ? 0.1443 0.1335 0.1641 -0.0126 0.0047 0.0116 88 LEU A CG 53 C CD1 . LEU A 6 ? 0.1422 0.1340 0.1617 -0.0121 0.0051 0.0132 88 LEU A CD1 54 C CD2 . LEU A 6 ? 0.1568 0.1468 0.1763 -0.0125 0.0043 0.0099 88 LEU A CD2 55 N N . THR A 7 ? 0.1416 0.1257 0.1630 -0.0175 0.0039 0.0085 89 THR A N 56 C CA . THR A 7 ? 0.1696 0.1525 0.1915 -0.0193 0.0039 0.0084 89 THR A CA 57 C C . THR A 7 ? 0.2196 0.2050 0.2419 -0.0208 0.0037 0.0074 89 THR A C 58 O O . THR A 7 ? 0.1731 0.1579 0.1959 -0.0224 0.0036 0.0071 89 THR A O 59 C CB . THR A 7 ? 0.1589 0.1381 0.1806 -0.0195 0.0035 0.0072 89 THR A CB 60 O OG1 . THR A 7 ? 0.2005 0.1800 0.2217 -0.0193 0.0030 0.0052 89 THR A OG1 61 C CG2 . THR A 7 ? 0.2253 0.2021 0.2468 -0.0180 0.0037 0.0081 89 THR A CG2 62 N N . LYS A 8 ? 0.1510 0.1392 0.1731 -0.0202 0.0035 0.0070 90 LYS A N 63 C CA . LYS A 8 ? 0.1563 0.1471 0.1788 -0.0214 0.0033 0.0061 90 LYS A CA 64 C C . LYS A 8 ? 0.1851 0.1797 0.2082 -0.0211 0.0037 0.0071 90 LYS A C 65 O O . LYS A 8 ? 0.1595 0.1549 0.1824 -0.0197 0.0041 0.0083 90 LYS A O 66 C CB . LYS A 8 ? 0.1571 0.1479 0.1789 -0.0210 0.0026 0.0043 90 LYS A CB 67 C CG . LYS A 8 ? 0.1534 0.1407 0.1747 -0.0210 0.0022 0.0031 90 LYS A CG 68 C CD . LYS A 8 ? 0.1816 0.1692 0.2021 -0.0203 0.0016 0.0015 90 LYS A CD 69 C CE . LYS A 8 ? 0.2954 0.2795 0.3154 -0.0201 0.0013 0.0002 90 LYS A CE 70 N NZ . LYS A 8 ? 0.2207 0.2053 0.2401 -0.0194 0.0008 -0.0014 90 LYS A NZ 71 N N . GLY A 9 ? 0.1591 0.1563 0.1831 -0.0222 0.0037 0.0067 91 GLY A N 72 C CA . GLY A 9 ? 0.1799 0.1810 0.2047 -0.0217 0.0040 0.0075 91 GLY A CA 73 C C . GLY A 9 ? 0.1670 0.1698 0.1914 -0.0209 0.0035 0.0064 91 GLY A C 74 O O . GLY A 9 ? 0.1418 0.1430 0.1656 -0.0209 0.0030 0.0051 91 GLY A O 75 N N . LEU A 10 ? 0.1547 0.1608 0.1797 -0.0201 0.0037 0.0071 92 LEU A N 76 C CA . LEU A 10 ? 0.1577 0.1657 0.1825 -0.0194 0.0033 0.0063 92 LEU A CA 77 C C . LEU A 10 ? 0.1679 0.1773 0.1937 -0.0205 0.0028 0.0051 92 LEU A C 78 O O . LEU A 10 ? 0.1255 0.1359 0.1525 -0.0217 0.0029 0.0052 92 LEU A O 79 C CB . LEU A 10 ? 0.1336 0.1448 0.1586 -0.0182 0.0036 0.0075 92 LEU A CB 80 C CG . LEU A 10 ? 0.1742 0.1848 0.1984 -0.0169 0.0042 0.0088 92 LEU A CG 81 C CD1 . LEU A 10 ? 0.1479 0.1619 0.1722 -0.0157 0.0045 0.0095 92 LEU A CD1 82 C CD2 . LEU A 10 ? 0.1536 0.1615 0.1766 -0.0160 0.0040 0.0082 92 LEU A CD2 83 N N . CYS A 11 ? 0.1144 0.1239 0.1398 -0.0202 0.0022 0.0038 93 CYS A N 84 C CA . CYS A 11 ? 0.1430 0.1545 0.1695 -0.0210 0.0016 0.0028 93 CYS A CA 85 C C . CYS A 11 ? 0.1304 0.1459 0.1578 -0.0206 0.0016 0.0039 93 CYS A C 86 O O . CYS A 11 ? 0.1534 0.1701 0.1803 -0.0194 0.0020 0.0050 93 CYS A O 87 C CB . CYS A 11 ? 0.1251 0.1362 0.1509 -0.0204 0.0009 0.0015 93 CYS A CB 88 S SG . CYS A 11 ? 0.1762 0.1827 0.2005 -0.0206 0.0009 0.0001 93 CYS A SG 89 N N . THR A 12 ? 0.1230 0.1406 0.1516 -0.0215 0.0011 0.0035 94 THR A N 90 C CA . THR A 12 ? 0.1113 0.1329 0.1406 -0.0211 0.0010 0.0044 94 THR A CA 91 C C . THR A 12 ? 0.1336 0.1569 0.1620 -0.0197 0.0006 0.0044 94 THR A C 92 O O . THR A 12 ? 0.1318 0.1546 0.1596 -0.0198 -0.0001 0.0033 94 THR A O 93 C CB . THR A 12 ? 0.1812 0.2048 0.2120 -0.0225 0.0005 0.0040 94 THR A CB 94 O OG1 . THR A 12 ? 0.1525 0.1746 0.1843 -0.0238 0.0009 0.0042 94 THR A OG1 95 C CG2 . THR A 12 ? 0.1380 0.1659 0.1694 -0.0219 0.0004 0.0050 94 THR A CG2 96 N N . ILE A 13 ? 0.1117 0.1368 0.1400 -0.0184 0.0011 0.0056 95 ILE A N 97 C CA . ILE A 13 ? 0.1148 0.1413 0.1423 -0.0169 0.0009 0.0057 95 ILE A CA 98 C C . ILE A 13 ? 0.1470 0.1774 0.1753 -0.0166 0.0005 0.0061 95 ILE A C 99 O O . ILE A 13 ? 0.1202 0.1529 0.1493 -0.0161 0.0010 0.0071 95 ILE A O 100 C CB . ILE A 13 ? 0.0821 0.1083 0.1090 -0.0154 0.0017 0.0067 95 ILE A CB 101 C CG1 . ILE A 13 ? 0.0996 0.1220 0.1256 -0.0156 0.0021 0.0065 95 ILE A CG1 102 C CG2 . ILE A 13 ? 0.1146 0.1421 0.1409 -0.0139 0.0016 0.0068 95 ILE A CG2 103 C CD1 . ILE A 13 ? 0.1205 0.1427 0.1461 -0.0145 0.0030 0.0077 95 ILE A CD1 104 N N . ASN A 14 ? 0.0980 0.1293 0.1261 -0.0169 -0.0004 0.0052 96 ASN A N 105 C CA . ASN A 14 ? 0.1098 0.1448 0.1386 -0.0165 -0.0008 0.0057 96 ASN A CA 106 C C . ASN A 14 ? 0.1456 0.1818 0.1736 -0.0149 -0.0010 0.0060 96 ASN A C 107 O O . ASN A 14 ? 0.1408 0.1801 0.1694 -0.0141 -0.0013 0.0066 96 ASN A O 108 C CB . ASN A 14 ? 0.0882 0.1240 0.1174 -0.0181 -0.0017 0.0047 96 ASN A CB 109 C CG . ASN A 14 ? 0.1301 0.1658 0.1607 -0.0196 -0.0015 0.0047 96 ASN A CG 110 O OD1 . ASN A 14 ? 0.1363 0.1732 0.1677 -0.0193 -0.0008 0.0058 96 ASN A OD1 111 N ND2 . ASN A 14 ? 0.1295 0.1636 0.1602 -0.0211 -0.0020 0.0036 96 ASN A ND2 112 N N . SER A 15 ? 0.1055 0.1393 0.1323 -0.0144 -0.0009 0.0055 97 SER A N 113 C CA . SER A 15 ? 0.0986 0.1330 0.1247 -0.0128 -0.0010 0.0060 97 SER A CA 114 C C . SER A 15 ? 0.1079 0.1390 0.1328 -0.0127 -0.0007 0.0054 97 SER A C 115 O O . SER A 15 ? 0.0859 0.1144 0.1105 -0.0136 -0.0005 0.0048 97 SER A O 116 C CB . SER A 15 ? 0.1212 0.1577 0.1471 -0.0128 -0.0019 0.0057 97 SER A CB 117 O OG . SER A 15 ? 0.1290 0.1638 0.1540 -0.0141 -0.0025 0.0043 97 SER A OG 118 N N . TRP A 16 ? 0.0996 0.1303 0.1235 -0.0112 -0.0007 0.0056 98 TRP A N 119 C CA . TRP A 16 ? 0.0906 0.1173 0.1126 -0.0106 -0.0004 0.0048 98 TRP A CA 120 C C . TRP A 16 ? 0.1114 0.1378 0.1322 -0.0104 -0.0011 0.0042 98 TRP A C 121 O O . TRP A 16 ? 0.1392 0.1679 0.1602 -0.0097 -0.0015 0.0047 98 TRP A O 122 C CB . TRP A 16 ? 0.0742 0.0998 0.0958 -0.0088 0.0004 0.0055 98 TRP A CB 123 C CG . TRP A 16 ? 0.0924 0.1186 0.1150 -0.0090 0.0011 0.0062 98 TRP A CG 124 C CD1 . TRP A 16 ? 0.1116 0.1411 0.1357 -0.0086 0.0014 0.0072 98 TRP A CD1 125 C CD2 . TRP A 16 ? 0.0944 0.1183 0.1167 -0.0095 0.0016 0.0061 98 TRP A CD2 126 N NE1 . TRP A 16 ? 0.1094 0.1387 0.1341 -0.0090 0.0021 0.0077 98 TRP A NE1 127 C CE2 . TRP A 16 ? 0.1304 0.1562 0.1540 -0.0095 0.0022 0.0071 98 TRP A CE2 128 C CE3 . TRP A 16 ? 0.1150 0.1355 0.1362 -0.0099 0.0016 0.0053 98 TRP A CE3 129 C CZ2 . TRP A 16 ? 0.1147 0.1391 0.1383 -0.0100 0.0028 0.0074 98 TRP A CZ2 130 C CZ3 . TRP A 16 ? 0.0998 0.1188 0.1210 -0.0103 0.0022 0.0057 98 TRP A CZ3 131 C CH2 . TRP A 16 ? 0.0908 0.1117 0.1132 -0.0103 0.0028 0.0068 98 TRP A CH2 132 N N . HIS A 17 ? 0.1144 0.1380 0.1340 -0.0110 -0.0012 0.0030 99 HIS A N 133 C CA . HIS A 17 ? 0.0985 0.1217 0.1168 -0.0109 -0.0017 0.0024 99 HIS A CA 134 C C . HIS A 17 ? 0.0911 0.1113 0.1079 -0.0097 -0.0013 0.0022 99 HIS A C 135 O O . HIS A 17 ? 0.0798 0.0977 0.0964 -0.0095 -0.0007 0.0021 99 HIS A O 136 C CB . HIS A 17 ? 0.0783 0.1014 0.0964 -0.0126 -0.0023 0.0010 99 HIS A CB 137 C CG . HIS A 17 ? 0.0960 0.1156 0.1136 -0.0133 -0.0020 0.0000 99 HIS A CG 138 N ND1 . HIS A 17 ? 0.1067 0.1237 0.1229 -0.0126 -0.0017 -0.0006 99 HIS A ND1 139 C CD2 . HIS A 17 ? 0.1139 0.1325 0.1325 -0.0144 -0.0018 -0.0003 99 HIS A CD2 140 C CE1 . HIS A 17 ? 0.1228 0.1373 0.1391 -0.0133 -0.0014 -0.0014 99 HIS A CE1 141 N NE2 . HIS A 17 ? 0.1128 0.1280 0.1305 -0.0143 -0.0014 -0.0011 99 HIS A NE2 142 N N . ILE A 18 ? 0.0990 0.1193 0.1147 -0.0090 -0.0016 0.0022 100 ILE A N 143 C CA . ILE A 18 ? 0.1184 0.1360 0.1327 -0.0081 -0.0012 0.0019 100 ILE A CA 144 C C . ILE A 18 ? 0.1166 0.1318 0.1302 -0.0090 -0.0011 0.0007 100 ILE A C 145 O O . ILE A 18 ? 0.1307 0.1462 0.1442 -0.0102 -0.0015 -0.0003 100 ILE A O 146 C CB . ILE A 18 ? 0.1004 0.1186 0.1137 -0.0074 -0.0015 0.0023 100 ILE A CB 147 C CG1 . ILE A 18 ? 0.1139 0.1295 0.1260 -0.0064 -0.0010 0.0023 100 ILE A CG1 148 C CG2 . ILE A 18 ? 0.0939 0.1134 0.1066 -0.0085 -0.0022 0.0015 100 ILE A CG2 149 C CD1 . ILE A 18 ? 0.1268 0.1413 0.1392 -0.0052 -0.0004 0.0030 100 ILE A CD1 150 N N . TYR A 19 ? 0.0826 0.0952 0.0957 -0.0083 -0.0005 0.0006 101 TYR A N 151 C CA . TYR A 19 ? 0.0947 0.1051 0.1074 -0.0088 -0.0003 -0.0004 101 TYR A CA 152 C C . TYR A 19 ? 0.1116 0.1203 0.1229 -0.0081 -0.0002 -0.0007 101 TYR A C 153 O O . TYR A 19 ? 0.1180 0.1261 0.1286 -0.0085 -0.0003 -0.0017 101 TYR A O 154 C CB . TYR A 19 ? 0.1050 0.1140 0.1183 -0.0088 0.0002 -0.0001 101 TYR A CB 155 C CG . TYR A 19 ? 0.0996 0.1061 0.1125 -0.0091 0.0004 -0.0009 101 TYR A CG 156 C CD1 . TYR A 19 ? 0.1240 0.1299 0.1373 -0.0103 0.0001 -0.0018 101 TYR A CD1 157 C CD2 . TYR A 19 ? 0.1292 0.1339 0.1415 -0.0082 0.0008 -0.0007 101 TYR A CD2 158 C CE1 . TYR A 19 ? 0.1411 0.1447 0.1543 -0.0104 0.0004 -0.0025 101 TYR A CE1 159 C CE2 . TYR A 19 ? 0.1480 0.1506 0.1601 -0.0083 0.0010 -0.0013 101 TYR A CE2 160 C CZ . TYR A 19 ? 0.1847 0.1867 0.1973 -0.0094 0.0008 -0.0021 101 TYR A CZ 161 O OH . TYR A 19 ? 0.1431 0.1430 0.1557 -0.0093 0.0010 -0.0027 101 TYR A OH 162 N N . GLY A 20 ? 0.0916 0.0998 0.1025 -0.0070 0.0002 0.0001 102 GLY A N 163 C CA . GLY A 20 ? 0.0909 0.0978 0.1007 -0.0064 0.0003 -0.0001 102 GLY A CA 164 C C . GLY A 20 ? 0.1419 0.1488 0.1514 -0.0053 0.0005 0.0007 102 GLY A C 165 O O . GLY A 20 ? 0.1385 0.1459 0.1486 -0.0047 0.0007 0.0014 102 GLY A O 166 N N . LYS A 21 ? 0.0882 0.0944 0.0967 -0.0050 0.0005 0.0007 103 LYS A N 167 C CA . LYS A 21 ? 0.0825 0.0883 0.0907 -0.0040 0.0007 0.0015 103 LYS A CA 168 C C . LYS A 21 ? 0.1232 0.1277 0.1304 -0.0040 0.0007 0.0012 103 LYS A C 169 O O . LYS A 21 ? 0.0919 0.0970 0.0986 -0.0046 0.0004 0.0008 103 LYS A O 170 C CB . LYS A 21 ? 0.1208 0.1285 0.1294 -0.0037 0.0004 0.0024 103 LYS A CB 171 C CG . LYS A 21 ? 0.1013 0.1084 0.1099 -0.0025 0.0006 0.0032 103 LYS A CG 172 C CD . LYS A 21 ? 0.1239 0.1328 0.1329 -0.0021 0.0002 0.0042 103 LYS A CD 173 C CE . LYS A 21 ? 0.1034 0.1116 0.1127 -0.0007 0.0006 0.0051 103 LYS A CE 174 N NZ . LYS A 21 ? 0.0882 0.0938 0.0966 -0.0003 0.0009 0.0050 103 LYS A NZ 175 N N . ASP A 22 ? 0.1019 0.1048 0.1087 -0.0034 0.0011 0.0012 104 ASP A N 176 C CA . ASP A 22 ? 0.0834 0.0852 0.0893 -0.0036 0.0011 0.0009 104 ASP A CA 177 C C . ASP A 22 ? 0.0937 0.0949 0.0991 -0.0032 0.0011 0.0016 104 ASP A C 178 O O . ASP A 22 ? 0.1197 0.1204 0.1245 -0.0036 0.0012 0.0014 104 ASP A O 179 C CB . ASP A 22 ? 0.0921 0.0924 0.0978 -0.0036 0.0014 0.0002 104 ASP A CB 180 C CG . ASP A 22 ? 0.1355 0.1349 0.1413 -0.0029 0.0018 0.0005 104 ASP A CG 181 O OD1 . ASP A 22 ? 0.1268 0.1264 0.1329 -0.0023 0.0018 0.0011 104 ASP A OD1 182 O OD2 . ASP A 22 ? 0.1290 0.1276 0.1346 -0.0028 0.0020 0.0000 104 ASP A OD2 183 N N . ASN A 23 ? 0.0887 0.0902 0.0946 -0.0025 0.0012 0.0024 105 ASN A N 184 C CA . ASN A 23 ? 0.0822 0.0829 0.0878 -0.0020 0.0012 0.0032 105 ASN A CA 185 C C . ASN A 23 ? 0.1284 0.1270 0.1333 -0.0021 0.0015 0.0028 105 ASN A C 186 O O . ASN A 23 ? 0.0989 0.0969 0.1033 -0.0023 0.0014 0.0032 105 ASN A O 187 C CB . ASN A 23 ? 0.0932 0.0953 0.0984 -0.0024 0.0008 0.0038 105 ASN A CB 188 C CG . ASN A 23 ? 0.1202 0.1246 0.1262 -0.0024 0.0004 0.0042 105 ASN A CG 189 O OD1 . ASN A 23 ? 0.1283 0.1332 0.1349 -0.0016 0.0004 0.0049 105 ASN A OD1 190 N ND2 . ASN A 23 ? 0.1194 0.1253 0.1251 -0.0033 0.0001 0.0036 105 ASN A ND2 191 N N . ALA A 24 ? 0.0757 0.0734 0.0806 -0.0020 0.0018 0.0020 106 ALA A N 192 C CA . ALA A 24 ? 0.0998 0.0960 0.1041 -0.0023 0.0019 0.0014 106 ALA A CA 193 C C . ALA A 24 ? 0.1195 0.1140 0.1235 -0.0020 0.0021 0.0018 106 ALA A C 194 O O . ALA A 24 ? 0.1186 0.1122 0.1221 -0.0026 0.0021 0.0017 106 ALA A O 195 C CB . ALA A 24 ? 0.1041 0.0999 0.1085 -0.0022 0.0021 0.0007 106 ALA A CB 196 N N . VAL A 25 ? 0.0887 0.0826 0.0930 -0.0011 0.0022 0.0023 107 VAL A N 197 C CA . VAL A 25 ? 0.0925 0.0844 0.0966 -0.0007 0.0024 0.0025 107 VAL A CA 198 C C . VAL A 25 ? 0.1343 0.1261 0.1383 -0.0010 0.0022 0.0036 107 VAL A C 199 O O . VAL A 25 ? 0.1205 0.1107 0.1242 -0.0014 0.0023 0.0038 107 VAL A O 200 C CB . VAL A 25 ? 0.0930 0.0842 0.0975 0.0005 0.0028 0.0026 107 VAL A CB 201 C CG1 . VAL A 25 ? 0.0937 0.0824 0.0980 0.0009 0.0030 0.0026 107 VAL A CG1 202 C CG2 . VAL A 25 ? 0.1207 0.1123 0.1252 0.0006 0.0030 0.0016 107 VAL A CG2 203 N N . ARG A 26 ? 0.0982 0.0918 0.1026 -0.0008 0.0019 0.0045 108 ARG A N 204 C CA . ARG A 26 ? 0.0773 0.0714 0.0815 -0.0011 0.0017 0.0056 108 ARG A CA 205 C C . ARG A 26 ? 0.1009 0.0949 0.1044 -0.0023 0.0016 0.0053 108 ARG A C 206 O O . ARG A 26 ? 0.0987 0.0917 0.1019 -0.0027 0.0017 0.0059 108 ARG A O 207 C CB . ARG A 26 ? 0.0932 0.0900 0.0977 -0.0010 0.0013 0.0062 108 ARG A CB 208 C CG . ARG A 26 ? 0.0855 0.0830 0.0909 0.0002 0.0013 0.0070 108 ARG A CG 209 C CD . ARG A 26 ? 0.0862 0.0867 0.0920 0.0000 0.0008 0.0074 108 ARG A CD 210 N NE . ARG A 26 ? 0.0941 0.0959 0.0993 -0.0006 0.0004 0.0082 108 ARG A NE 211 C CZ . ARG A 26 ? 0.1240 0.1263 0.1293 -0.0002 0.0002 0.0097 108 ARG A CZ 212 N NH1 . ARG A 26 ? 0.1353 0.1368 0.1413 0.0011 0.0003 0.0106 108 ARG A NH1 213 N NH2 . ARG A 26 ? 0.1143 0.1181 0.1188 -0.0009 -0.0002 0.0103 108 ARG A NH2 214 N N . ILE A 27 ? 0.0894 0.0847 0.0927 -0.0029 0.0016 0.0043 109 ILE A N 215 C CA . ILE A 27 ? 0.0956 0.0914 0.0985 -0.0039 0.0016 0.0039 109 ILE A CA 216 C C . ILE A 27 ? 0.1176 0.1114 0.1202 -0.0043 0.0018 0.0034 109 ILE A C 217 O O . ILE A 27 ? 0.1215 0.1151 0.1238 -0.0050 0.0019 0.0037 109 ILE A O 218 C CB . ILE A 27 ? 0.0819 0.0793 0.0847 -0.0043 0.0015 0.0029 109 ILE A CB 219 C CG1 . ILE A 27 ? 0.1149 0.1145 0.1179 -0.0043 0.0011 0.0034 109 ILE A CG1 220 C CG2 . ILE A 27 ? 0.1323 0.1302 0.1348 -0.0051 0.0016 0.0023 109 ILE A CG2 221 C CD1 . ILE A 27 ? 0.0864 0.0873 0.0896 -0.0045 0.0010 0.0024 109 ILE A CD1 222 N N . GLY A 28 ? 0.1163 0.1089 0.1191 -0.0038 0.0020 0.0027 110 GLY A N 223 C CA . GLY A 28 ? 0.1016 0.0925 0.1042 -0.0042 0.0022 0.0020 110 GLY A CA 224 C C . GLY A 28 ? 0.1387 0.1276 0.1411 -0.0043 0.0023 0.0027 110 GLY A C 225 O O . GLY A 28 ? 0.1385 0.1261 0.1408 -0.0049 0.0024 0.0022 110 GLY A O 226 N N . GLU A 29 ? 0.0895 0.0780 0.0921 -0.0037 0.0023 0.0038 111 GLU A N 227 C CA . GLU A 29 ? 0.1026 0.0891 0.1053 -0.0038 0.0024 0.0047 111 GLU A CA 228 C C . GLU A 29 ? 0.1441 0.1308 0.1464 -0.0051 0.0023 0.0051 111 GLU A C 229 O O . GLU A 29 ? 0.1099 0.0947 0.1122 -0.0056 0.0025 0.0054 111 GLU A O 230 C CB . GLU A 29 ? 0.1074 0.0939 0.1104 -0.0028 0.0023 0.0061 111 GLU A CB 231 C CG . GLU A 29 ? 0.1312 0.1151 0.1343 -0.0026 0.0024 0.0072 111 GLU A CG 232 C CD . GLU A 29 ? 0.1459 0.1300 0.1487 -0.0036 0.0023 0.0084 111 GLU A CD 233 O OE1 . GLU A 29 ? 0.1375 0.1242 0.1401 -0.0041 0.0021 0.0090 111 GLU A OE1 234 O OE2 . GLU A 29 ? 0.1799 0.1614 0.1827 -0.0041 0.0025 0.0088 111 GLU A OE2 235 N N . SER A 30 ? 0.1230 0.1123 0.1251 -0.0056 0.0022 0.0051 112 SER A N 236 C CA . SER A 30 ? 0.1316 0.1217 0.1334 -0.0068 0.0022 0.0055 112 SER A CA 237 C C . SER A 30 ? 0.2261 0.2185 0.2278 -0.0074 0.0022 0.0045 112 SER A C 238 O O . SER A 30 ? 0.4281 0.4223 0.4295 -0.0080 0.0022 0.0049 112 SER A O 239 C CB . SER A 30 ? 0.2000 0.1912 0.2016 -0.0067 0.0021 0.0072 112 SER A CB 240 O OG . SER A 30 ? 0.4541 0.4479 0.4556 -0.0064 0.0019 0.0071 112 SER A OG 241 N N A SER A 31 ? 0.1211 0.1135 0.1230 -0.0071 0.0022 0.0032 113 SER A N 242 N N B SER A 31 ? 0.1202 0.1126 0.1221 -0.0071 0.0022 0.0032 113 SER A N 243 C CA A SER A 31 ? 0.0922 0.0864 0.0941 -0.0076 0.0022 0.0023 113 SER A CA 244 C CA B SER A 31 ? 0.0878 0.0820 0.0896 -0.0074 0.0022 0.0022 113 SER A CA 245 C C A SER A 31 ? 0.1217 0.1151 0.1238 -0.0073 0.0022 0.0011 113 SER A C 246 C C B SER A 31 ? 0.1215 0.1148 0.1235 -0.0073 0.0022 0.0011 113 SER A C 247 O O A SER A 31 ? 0.1403 0.1319 0.1424 -0.0068 0.0022 0.0010 113 SER A O 248 O O B SER A 31 ? 0.1409 0.1324 0.1429 -0.0068 0.0022 0.0010 113 SER A O 249 C CB A SER A 31 ? 0.1063 0.1024 0.1081 -0.0072 0.0021 0.0021 113 SER A CB 250 C CB B SER A 31 ? 0.1033 0.0992 0.1052 -0.0069 0.0020 0.0021 113 SER A CB 251 O OG A SER A 31 ? 0.1301 0.1259 0.1321 -0.0063 0.0020 0.0021 113 SER A OG 252 O OG B SER A 31 ? 0.0776 0.0749 0.0792 -0.0071 0.0020 0.0029 113 SER A OG 253 N N . ASP A 32 ? 0.1112 0.1059 0.1134 -0.0076 0.0022 0.0003 114 ASP A N 254 C CA . ASP A 32 ? 0.0872 0.0815 0.0896 -0.0075 0.0022 -0.0006 114 ASP A CA 255 C C . ASP A 32 ? 0.1297 0.1241 0.1322 -0.0066 0.0021 -0.0011 114 ASP A C 256 O O . ASP A 32 ? 0.1060 0.1016 0.1087 -0.0065 0.0021 -0.0017 114 ASP A O 257 C CB . ASP A 32 ? 0.0828 0.0784 0.0853 -0.0083 0.0022 -0.0011 114 ASP A CB 258 C CG . ASP A 32 ? 0.1284 0.1239 0.1310 -0.0093 0.0023 -0.0006 114 ASP A CG 259 O OD1 . ASP A 32 ? 0.1455 0.1390 0.1479 -0.0095 0.0023 -0.0002 114 ASP A OD1 260 O OD2 . ASP A 32 ? 0.1441 0.1413 0.1468 -0.0100 0.0024 -0.0006 114 ASP A OD2 261 N N . VAL A 33 ? 0.1041 0.0973 0.1065 -0.0060 0.0021 -0.0008 115 VAL A N 262 C CA . VAL A 33 ? 0.0859 0.0793 0.0884 -0.0052 0.0021 -0.0011 115 VAL A CA 263 C C . VAL A 33 ? 0.1017 0.0941 0.1041 -0.0049 0.0022 -0.0017 115 VAL A C 264 O O . VAL A 33 ? 0.0866 0.0776 0.0887 -0.0050 0.0023 -0.0018 115 VAL A O 265 C CB . VAL A 33 ? 0.0934 0.0865 0.0961 -0.0046 0.0021 -0.0004 115 VAL A CB 266 C CG1 . VAL A 33 ? 0.1166 0.1100 0.1195 -0.0038 0.0022 -0.0006 115 VAL A CG1 267 C CG2 . VAL A 33 ? 0.1006 0.0951 0.1033 -0.0049 0.0020 0.0002 115 VAL A CG2 268 N N . LEU A 34 ? 0.0861 0.0794 0.0887 -0.0046 0.0022 -0.0022 116 LEU A N 269 C CA . LEU A 34 ? 0.0838 0.0765 0.0860 -0.0044 0.0022 -0.0028 116 LEU A CA 270 C C . LEU A 34 ? 0.1118 0.1036 0.1138 -0.0036 0.0024 -0.0026 116 LEU A C 271 O O . LEU A 34 ? 0.1086 0.1008 0.1110 -0.0031 0.0025 -0.0021 116 LEU A O 272 C CB . LEU A 34 ? 0.0604 0.0544 0.0628 -0.0042 0.0021 -0.0030 116 LEU A CB 273 C CG . LEU A 34 ? 0.0856 0.0807 0.0883 -0.0047 0.0019 -0.0033 116 LEU A CG 274 C CD1 . LEU A 34 ? 0.1075 0.1037 0.1106 -0.0043 0.0019 -0.0033 116 LEU A CD1 275 C CD2 . LEU A 34 ? 0.0902 0.0852 0.0926 -0.0053 0.0018 -0.0038 116 LEU A CD2 276 N N . VAL A 35 ? 0.0713 0.0620 0.0728 -0.0035 0.0025 -0.0032 117 VAL A N 277 C CA . VAL A 35 ? 0.0999 0.0901 0.1013 -0.0027 0.0027 -0.0033 117 VAL A CA 278 C C . VAL A 35 ? 0.1151 0.1067 0.1165 -0.0023 0.0028 -0.0033 117 VAL A C 279 O O . VAL A 35 ? 0.1046 0.0971 0.1059 -0.0026 0.0026 -0.0036 117 VAL A O 280 C CB . VAL A 35 ? 0.0912 0.0799 0.0918 -0.0027 0.0029 -0.0041 117 VAL A CB 281 C CG1 . VAL A 35 ? 0.0967 0.0851 0.0971 -0.0017 0.0032 -0.0044 117 VAL A CG1 282 C CG2 . VAL A 35 ? 0.0820 0.0689 0.0827 -0.0032 0.0028 -0.0040 117 VAL A CG2 283 N N . THR A 36 ? 0.0939 0.0859 0.0956 -0.0016 0.0030 -0.0028 118 THR A N 284 C CA . THR A 36 ? 0.0744 0.0678 0.0763 -0.0012 0.0031 -0.0027 118 THR A CA 285 C C . THR A 36 ? 0.1120 0.1054 0.1138 -0.0004 0.0035 -0.0027 118 THR A C 286 O O . THR A 36 ? 0.1047 0.0971 0.1064 0.0000 0.0037 -0.0028 118 THR A O 287 C CB . THR A 36 ? 0.1027 0.0970 0.1054 -0.0014 0.0030 -0.0021 118 THR A CB 288 O OG1 . THR A 36 ? 0.1313 0.1256 0.1345 -0.0012 0.0030 -0.0015 118 THR A OG1 289 C CG2 . THR A 36 ? 0.0916 0.0860 0.0944 -0.0021 0.0026 -0.0022 118 THR A CG2 290 N N . ARG A 37 ? 0.0900 0.0846 0.0918 -0.0001 0.0037 -0.0024 119 ARG A N 291 C CA . ARG A 37 ? 0.0857 0.0811 0.0879 0.0006 0.0041 -0.0021 119 ARG A CA 292 C C . ARG A 37 ? 0.1032 0.1001 0.1057 0.0005 0.0041 -0.0015 119 ARG A C 293 O O . ARG A 37 ? 0.1010 0.0980 0.1034 0.0000 0.0038 -0.0015 119 ARG A O 294 C CB . ARG A 37 ? 0.0863 0.0812 0.0877 0.0013 0.0045 -0.0028 119 ARG A CB 295 C CG . ARG A 37 ? 0.1076 0.1015 0.1092 0.0020 0.0047 -0.0028 119 ARG A CG 296 C CD . ARG A 37 ? 0.1136 0.1080 0.1150 0.0030 0.0054 -0.0032 119 ARG A CD 297 N NE . ARG A 37 ? 0.1210 0.1174 0.1231 0.0033 0.0056 -0.0024 119 ARG A NE 298 C CZ . ARG A 37 ? 0.1394 0.1370 0.1411 0.0039 0.0062 -0.0025 119 ARG A CZ 299 N NH1 . ARG A 37 ? 0.1346 0.1316 0.1352 0.0044 0.0065 -0.0036 119 ARG A NH1 300 N NH2 . ARG A 37 ? 0.1340 0.1337 0.1366 0.0040 0.0064 -0.0016 119 ARG A NH2 301 N N . GLU A 38 ? 0.0846 0.0826 0.0875 0.0009 0.0045 -0.0011 120 GLU A N 302 C CA . GLU A 38 ? 0.0970 0.0962 0.1002 0.0007 0.0046 -0.0003 120 GLU A CA 303 C C . GLU A 38 ? 0.0973 0.0965 0.1014 0.0000 0.0042 0.0001 120 GLU A C 304 O O . GLU A 38 ? 0.1009 0.1001 0.1050 -0.0003 0.0040 0.0003 120 GLU A O 305 C CB . GLU A 38 ? 0.1009 0.1006 0.1032 0.0008 0.0047 -0.0005 120 GLU A CB 306 C CG . GLU A 38 ? 0.1226 0.1227 0.1240 0.0016 0.0052 -0.0011 120 GLU A CG 307 C CD . GLU A 38 ? 0.1572 0.1559 0.1577 0.0017 0.0050 -0.0023 120 GLU A CD 308 O OE1 . GLU A 38 ? 0.1252 0.1229 0.1255 0.0011 0.0045 -0.0026 120 GLU A OE1 309 O OE2 . GLU A 38 ? 0.1281 0.1264 0.1281 0.0023 0.0054 -0.0029 120 GLU A OE2 310 N N . PRO A 39 ? 0.0939 0.0930 0.0987 -0.0002 0.0040 0.0003 121 PRO A N 311 C CA . PRO A 39 ? 0.0737 0.0727 0.0793 -0.0009 0.0037 0.0005 121 PRO A CA 312 C C . PRO A 39 ? 0.0857 0.0857 0.0921 -0.0012 0.0038 0.0011 121 PRO A C 313 O O . PRO A 39 ? 0.0922 0.0932 0.0988 -0.0009 0.0041 0.0016 121 PRO A O 314 C CB . PRO A 39 ? 0.0893 0.0882 0.0952 -0.0010 0.0035 0.0004 121 PRO A CB 315 C CG . PRO A 39 ? 0.1066 0.1062 0.1126 -0.0003 0.0038 0.0007 121 PRO A CG 316 C CD . PRO A 39 ? 0.1097 0.1090 0.1149 0.0003 0.0042 0.0003 121 PRO A CD 317 N N . TYR A 40 ? 0.0871 0.0867 0.0940 -0.0019 0.0035 0.0012 122 TYR A N 318 C CA . TYR A 40 ? 0.1087 0.1089 0.1167 -0.0024 0.0035 0.0017 122 TYR A CA 319 C C . TYR A 40 ? 0.1017 0.1013 0.1102 -0.0031 0.0031 0.0013 122 TYR A C 320 O O . TYR A 40 ? 0.0933 0.0922 0.1013 -0.0031 0.0029 0.0007 122 TYR A O 321 C CB . TYR A 40 ? 0.0730 0.0735 0.0811 -0.0024 0.0038 0.0024 122 TYR A CB 322 C CG . TYR A 40 ? 0.0962 0.0959 0.1037 -0.0022 0.0037 0.0024 122 TYR A CG 323 C CD1 . TYR A 40 ? 0.1081 0.1078 0.1144 -0.0016 0.0038 0.0021 122 TYR A CD1 324 C CD2 . TYR A 40 ? 0.1019 0.1008 0.1100 -0.0026 0.0036 0.0026 122 TYR A CD2 325 C CE1 . TYR A 40 ? 0.1004 0.0998 0.1063 -0.0014 0.0037 0.0021 122 TYR A CE1 326 C CE2 . TYR A 40 ? 0.1059 0.1043 0.1135 -0.0022 0.0035 0.0028 122 TYR A CE2 327 C CZ . TYR A 40 ? 0.1094 0.1082 0.1159 -0.0017 0.0035 0.0025 122 TYR A CZ 328 O OH . TYR A 40 ? 0.1090 0.1077 0.1152 -0.0014 0.0034 0.0027 122 TYR A OH 329 N N . VAL A 41 ? 0.0800 0.0797 0.0895 -0.0037 0.0031 0.0016 123 VAL A N 330 C CA . VAL A 41 ? 0.0796 0.0786 0.0895 -0.0044 0.0028 0.0011 123 VAL A CA 331 C C . VAL A 41 ? 0.0736 0.0717 0.0842 -0.0048 0.0029 0.0015 123 VAL A C 332 O O . VAL A 41 ? 0.1027 0.1014 0.1137 -0.0048 0.0032 0.0023 123 VAL A O 333 C CB . VAL A 41 ? 0.1036 0.1036 0.1141 -0.0051 0.0025 0.0009 123 VAL A CB 334 C CG1 . VAL A 41 ? 0.0957 0.0951 0.1065 -0.0057 0.0022 0.0001 123 VAL A CG1 335 C CG2 . VAL A 41 ? 0.1164 0.1175 0.1265 -0.0045 0.0025 0.0010 123 VAL A CG2 336 N N . SER A 42 ? 0.0866 0.0834 0.0972 -0.0050 0.0027 0.0009 124 SER A N 337 C CA . SER A 42 ? 0.1178 0.1135 0.1292 -0.0052 0.0028 0.0013 124 SER A CA 338 C C . SER A 42 ? 0.1490 0.1434 0.1607 -0.0056 0.0026 0.0003 124 SER A C 339 O O . SER A 42 ? 0.1084 0.1027 0.1196 -0.0054 0.0025 -0.0006 124 SER A O 340 C CB . SER A 42 ? 0.1318 0.1271 0.1427 -0.0044 0.0030 0.0019 124 SER A CB 341 O OG . SER A 42 ? 0.1193 0.1136 0.1309 -0.0046 0.0032 0.0027 124 SER A OG 342 N N . CYS A 43 ? 0.1011 0.0946 0.1139 -0.0064 0.0026 0.0004 125 CYS A N 343 C CA . CYS A 43 ? 0.1031 0.0952 0.1163 -0.0068 0.0025 -0.0007 125 CYS A CA 344 C C . CYS A 43 ? 0.1243 0.1145 0.1379 -0.0063 0.0026 -0.0005 125 CYS A C 345 O O . CYS A 43 ? 0.1053 0.0950 0.1194 -0.0061 0.0028 0.0007 125 CYS A O 346 C CB . CYS A 43 ? 0.1219 0.1140 0.1360 -0.0080 0.0023 -0.0010 125 CYS A CB 347 S SG . CYS A 43 ? 0.1590 0.1536 0.1727 -0.0086 0.0020 -0.0012 125 CYS A SG 348 N N . ASP A 44 ? 0.1065 0.0958 0.1200 -0.0060 0.0026 -0.0017 126 ASP A N 349 C CA . ASP A 44 ? 0.1198 0.1070 0.1340 -0.0056 0.0027 -0.0019 126 ASP A CA 350 C C . ASP A 44 ? 0.1412 0.1270 0.1562 -0.0066 0.0026 -0.0030 126 ASP A C 351 O O . ASP A 44 ? 0.1548 0.1417 0.1697 -0.0076 0.0024 -0.0036 126 ASP A O 352 C CB . ASP A 44 ? 0.1349 0.1222 0.1486 -0.0047 0.0027 -0.0029 126 ASP A CB 353 C CG . ASP A 44 ? 0.1973 0.1857 0.2102 -0.0037 0.0027 -0.0020 126 ASP A CG 354 O OD1 . ASP A 44 ? 0.1542 0.1435 0.1669 -0.0037 0.0027 -0.0009 126 ASP A OD1 355 O OD2 . ASP A 44 ? 0.1824 0.1710 0.1951 -0.0030 0.0028 -0.0026 126 ASP A OD2 356 N N . PRO A 45 ? 0.1270 0.1106 0.1426 -0.0064 0.0027 -0.0032 127 PRO A N 357 C CA . PRO A 45 ? 0.1241 0.1068 0.1397 -0.0072 0.0026 -0.0042 127 PRO A CA 358 C C . PRO A 45 ? 0.1605 0.1441 0.1754 -0.0075 0.0024 -0.0060 127 PRO A C 359 O O . PRO A 45 ? 0.1928 0.1762 0.2075 -0.0085 0.0021 -0.0069 127 PRO A O 360 C CB . PRO A 45 ? 0.1519 0.1322 0.1680 -0.0065 0.0027 -0.0040 127 PRO A CB 361 C CG . PRO A 45 ? 0.1362 0.1164 0.1528 -0.0057 0.0030 -0.0022 127 PRO A CG 362 C CD . PRO A 45 ? 0.1497 0.1320 0.1659 -0.0053 0.0030 -0.0022 127 PRO A CD 363 N N . ASP A 46 ? 0.1356 0.1201 0.1500 -0.0068 0.0025 -0.0066 128 ASP A N 364 C CA . ASP A 46 ? 0.1891 0.1746 0.2028 -0.0070 0.0023 -0.0083 128 ASP A CA 365 C C . ASP A 46 ? 0.1829 0.1707 0.1959 -0.0072 0.0022 -0.0084 128 ASP A C 366 O O . ASP A 46 ? 0.1789 0.1677 0.1911 -0.0073 0.0022 -0.0096 128 ASP A O 367 C CB . ASP A 46 ? 0.2471 0.2315 0.2607 -0.0059 0.0026 -0.0092 128 ASP A CB 368 C CG . ASP A 46 ? 0.3181 0.3028 0.3320 -0.0048 0.0029 -0.0085 128 ASP A CG 369 O OD1 . ASP A 46 ? 0.2528 0.2381 0.2667 -0.0047 0.0028 -0.0070 128 ASP A OD1 370 O OD2 . ASP A 46 ? 0.5446 0.5293 0.5585 -0.0039 0.0031 -0.0094 128 ASP A OD2 371 N N . GLU A 47 ? 0.1446 0.1334 0.1575 -0.0070 0.0022 -0.0069 129 GLU A N 372 C CA . GLU A 47 ? 0.1247 0.1156 0.1365 -0.0069 0.0020 -0.0066 129 GLU A CA 373 C C . GLU A 47 ? 0.1438 0.1356 0.1557 -0.0068 0.0020 -0.0051 129 GLU A C 374 O O . GLU A 47 ? 0.1850 0.1759 0.1973 -0.0065 0.0022 -0.0041 129 GLU A O 375 C CB . GLU A 47 ? 0.1623 0.1536 0.1735 -0.0058 0.0022 -0.0069 129 GLU A CB 376 C CG . GLU A 47 ? 0.3125 0.3058 0.3226 -0.0057 0.0021 -0.0067 129 GLU A CG 377 C CD . GLU A 47 ? 0.4289 0.4225 0.4386 -0.0048 0.0023 -0.0066 129 GLU A CD 378 O OE1 . GLU A 47 ? 0.2248 0.2173 0.2350 -0.0042 0.0025 -0.0066 129 GLU A OE1 379 O OE2 . GLU A 47 ? 0.3091 0.3041 0.3180 -0.0048 0.0022 -0.0064 129 GLU A OE2 380 N N . CYS A 48 ? 0.1314 0.1250 0.1427 -0.0072 0.0018 -0.0049 130 CYS A N 381 C CA . CYS A 48 ? 0.1008 0.0953 0.1120 -0.0069 0.0018 -0.0036 130 CYS A CA 382 C C . CYS A 48 ? 0.0942 0.0897 0.1043 -0.0062 0.0018 -0.0034 130 CYS A C 383 O O . CYS A 48 ? 0.1039 0.1001 0.1134 -0.0063 0.0017 -0.0042 130 CYS A O 384 C CB . CYS A 48 ? 0.1414 0.1372 0.1530 -0.0077 0.0016 -0.0032 130 CYS A CB 385 S SG . CYS A 48 ? 0.1864 0.1811 0.1994 -0.0088 0.0016 -0.0032 130 CYS A SG 386 N N . ARG A 49 ? 0.0993 0.0948 0.1092 -0.0055 0.0020 -0.0025 131 ARG A N 387 C CA . ARG A 49 ? 0.0819 0.0780 0.0909 -0.0050 0.0020 -0.0025 131 ARG A CA 388 C C . ARG A 49 ? 0.0875 0.0844 0.0963 -0.0046 0.0021 -0.0016 131 ARG A C 389 O O . ARG A 49 ? 0.0958 0.0927 0.1050 -0.0047 0.0023 -0.0009 131 ARG A O 390 C CB . ARG A 49 ? 0.1095 0.1048 0.1184 -0.0043 0.0022 -0.0026 131 ARG A CB 391 C CG . ARG A 49 ? 0.0997 0.0945 0.1088 -0.0044 0.0022 -0.0036 131 ARG A CG 392 C CD . ARG A 49 ? 0.1459 0.1400 0.1552 -0.0037 0.0023 -0.0036 131 ARG A CD 393 N NE . ARG A 49 ? 0.1605 0.1554 0.1691 -0.0032 0.0023 -0.0034 131 ARG A NE 394 C CZ . ARG A 49 ? 0.1688 0.1644 0.1770 -0.0032 0.0023 -0.0041 131 ARG A CZ 395 N NH1 . ARG A 49 ? 0.1625 0.1582 0.1708 -0.0036 0.0023 -0.0050 131 ARG A NH1 396 N NH2 . ARG A 49 ? 0.1188 0.1150 0.1265 -0.0030 0.0023 -0.0039 131 ARG A NH2 397 N N . PHE A 50 ? 0.1074 0.1048 0.1154 -0.0044 0.0021 -0.0017 132 PHE A N 398 C CA . PHE A 50 ? 0.1113 0.1090 0.1189 -0.0039 0.0022 -0.0010 132 PHE A CA 399 C C . PHE A 50 ? 0.0900 0.0872 0.0972 -0.0034 0.0024 -0.0010 132 PHE A C 400 O O . PHE A 50 ? 0.1008 0.0976 0.1078 -0.0033 0.0023 -0.0014 132 PHE A O 401 C CB . PHE A 50 ? 0.0754 0.0736 0.0825 -0.0038 0.0021 -0.0011 132 PHE A CB 402 C CG . PHE A 50 ? 0.0959 0.0951 0.1034 -0.0041 0.0019 -0.0009 132 PHE A CG 403 C CD1 . PHE A 50 ? 0.1189 0.1186 0.1272 -0.0046 0.0019 -0.0007 132 PHE A CD1 404 C CD2 . PHE A 50 ? 0.1243 0.1240 0.1313 -0.0040 0.0018 -0.0007 132 PHE A CD2 405 C CE1 . PHE A 50 ? 0.1617 0.1628 0.1705 -0.0049 0.0017 -0.0005 132 PHE A CE1 406 C CE2 . PHE A 50 ? 0.0994 0.1003 0.1068 -0.0042 0.0016 -0.0004 132 PHE A CE2 407 C CZ . PHE A 50 ? 0.1248 0.1265 0.1331 -0.0047 0.0015 -0.0003 132 PHE A CZ 408 N N . TYR A 51 ? 0.0804 0.0778 0.0874 -0.0030 0.0026 -0.0004 133 TYR A N 409 C CA . TYR A 51 ? 0.0987 0.0959 0.1051 -0.0025 0.0027 -0.0003 133 TYR A CA 410 C C . TYR A 51 ? 0.0715 0.0690 0.0773 -0.0021 0.0028 -0.0003 133 TYR A C 411 O O . TYR A 51 ? 0.1138 0.1117 0.1197 -0.0021 0.0029 -0.0001 133 TYR A O 412 C CB . TYR A 51 ? 0.1060 0.1032 0.1128 -0.0024 0.0028 0.0004 133 TYR A CB 413 C CG . TYR A 51 ? 0.1125 0.1091 0.1201 -0.0027 0.0027 0.0003 133 TYR A CG 414 C CD1 . TYR A 51 ? 0.0891 0.0854 0.0974 -0.0032 0.0027 0.0001 133 TYR A CD1 415 C CD2 . TYR A 51 ? 0.1181 0.1143 0.1256 -0.0023 0.0027 0.0005 133 TYR A CD2 416 C CE1 . TYR A 51 ? 0.1081 0.1035 0.1171 -0.0034 0.0026 -0.0001 133 TYR A CE1 417 C CE2 . TYR A 51 ? 0.1223 0.1178 0.1306 -0.0023 0.0026 0.0005 133 TYR A CE2 418 C CZ . TYR A 51 ? 0.1163 0.1111 0.1253 -0.0029 0.0026 0.0001 133 TYR A CZ 419 O OH . TYR A 51 ? 0.1163 0.1101 0.1260 -0.0029 0.0026 -0.0001 133 TYR A OH 420 N N . ALA A 52 ? 0.1118 0.1090 0.1168 -0.0019 0.0028 -0.0006 134 ALA A N 421 C CA . ALA A 52 ? 0.0930 0.0903 0.0972 -0.0015 0.0030 -0.0007 134 ALA A CA 422 C C . ALA A 52 ? 0.1062 0.1034 0.1097 -0.0014 0.0029 -0.0011 134 ALA A C 423 O O . ALA A 52 ? 0.0992 0.0965 0.1027 -0.0015 0.0027 -0.0012 134 ALA A O 424 C CB . ALA A 52 ? 0.0820 0.0788 0.0862 -0.0015 0.0030 -0.0010 134 ALA A CB 425 N N . LEU A 53 ? 0.0820 0.0792 0.0847 -0.0010 0.0031 -0.0014 135 LEU A N 426 C CA . LEU A 53 ? 0.1226 0.1199 0.1245 -0.0010 0.0029 -0.0019 135 LEU A CA 427 C C . LEU A 53 ? 0.1433 0.1395 0.1448 -0.0014 0.0028 -0.0026 135 LEU A C 428 O O . LEU A 53 ? 0.1200 0.1155 0.1213 -0.0012 0.0030 -0.0029 135 LEU A O 429 C CB . LEU A 53 ? 0.1187 0.1165 0.1197 -0.0006 0.0032 -0.0021 135 LEU A CB 430 C CG . LEU A 53 ? 0.1480 0.1470 0.1491 -0.0003 0.0034 -0.0012 135 LEU A CG 431 C CD1 . LEU A 53 ? 0.1145 0.1143 0.1147 0.0002 0.0038 -0.0014 135 LEU A CD1 432 C CD2 . LEU A 53 ? 0.1249 0.1245 0.1262 -0.0005 0.0030 -0.0009 135 LEU A CD2 433 N N . SER A 54 ? 0.1059 0.1022 0.1076 -0.0019 0.0025 -0.0029 136 SER A N 434 C CA . SER A 54 ? 0.0908 0.0863 0.0922 -0.0024 0.0023 -0.0034 136 SER A CA 435 C C . SER A 54 ? 0.0952 0.0903 0.0957 -0.0024 0.0024 -0.0042 136 SER A C 436 O O . SER A 54 ? 0.1041 0.1001 0.1041 -0.0021 0.0024 -0.0043 136 SER A O 437 C CB . SER A 54 ? 0.1372 0.1333 0.1390 -0.0029 0.0020 -0.0035 136 SER A CB 438 O OG . SER A 54 ? 0.1018 0.0972 0.1033 -0.0035 0.0019 -0.0040 136 SER A OG 439 N N . GLN A 55 ? 0.0926 0.0865 0.0928 -0.0027 0.0023 -0.0047 137 GLN A N 440 C CA . GLN A 55 ? 0.1167 0.1100 0.1160 -0.0030 0.0023 -0.0056 137 GLN A CA 441 C C . GLN A 55 ? 0.1319 0.1254 0.1313 -0.0040 0.0019 -0.0060 137 GLN A C 442 O O . GLN A 55 ? 0.1084 0.1013 0.1072 -0.0044 0.0018 -0.0069 137 GLN A O 443 C CB . GLN A 55 ? 0.0877 0.0792 0.0868 -0.0027 0.0026 -0.0059 137 GLN A CB 444 C CG . GLN A 55 ? 0.0953 0.0869 0.0943 -0.0017 0.0031 -0.0057 137 GLN A CG 445 C CD . GLN A 55 ? 0.1394 0.1314 0.1374 -0.0013 0.0033 -0.0065 137 GLN A CD 446 O OE1 . GLN A 55 ? 0.1266 0.1192 0.1239 -0.0018 0.0030 -0.0071 137 GLN A OE1 447 N NE2 . GLN A 55 ? 0.1195 0.1114 0.1174 -0.0004 0.0037 -0.0065 137 GLN A NE2 448 N N . GLY A 56 ? 0.1125 0.1069 0.1127 -0.0043 0.0017 -0.0055 138 GLY A N 449 C CA . GLY A 56 ? 0.0942 0.0892 0.0945 -0.0051 0.0014 -0.0058 138 GLY A CA 450 C C . GLY A 56 ? 0.0862 0.0798 0.0865 -0.0060 0.0014 -0.0061 138 GLY A C 451 O O . GLY A 56 ? 0.1254 0.1192 0.1255 -0.0068 0.0011 -0.0068 138 GLY A O 452 N N . THR A 57 ? 0.0834 0.0756 0.0838 -0.0058 0.0017 -0.0056 139 THR A N 453 C CA . THR A 57 ? 0.0584 0.0491 0.0589 -0.0065 0.0017 -0.0056 139 THR A CA 454 C C . THR A 57 ? 0.0822 0.0724 0.0832 -0.0060 0.0020 -0.0047 139 THR A C 455 O O . THR A 57 ? 0.0903 0.0809 0.0913 -0.0052 0.0021 -0.0043 139 THR A O 456 C CB . THR A 57 ? 0.0986 0.0873 0.0985 -0.0065 0.0018 -0.0064 139 THR A CB 457 O OG1 . THR A 57 ? 0.1083 0.0951 0.1083 -0.0071 0.0019 -0.0061 139 THR A OG1 458 C CG2 . THR A 57 ? 0.1233 0.1114 0.1228 -0.0053 0.0022 -0.0064 139 THR A CG2 459 N N . THR A 58 ? 0.1089 0.0984 0.1101 -0.0067 0.0020 -0.0042 140 THR A N 460 C CA . THR A 58 ? 0.1128 0.1018 0.1142 -0.0062 0.0022 -0.0033 140 THR A CA 461 C C . THR A 58 ? 0.0844 0.0713 0.0856 -0.0057 0.0024 -0.0032 140 THR A C 462 O O . THR A 58 ? 0.1207 0.1062 0.1216 -0.0059 0.0024 -0.0039 140 THR A O 463 C CB . THR A 58 ? 0.1247 0.1143 0.1264 -0.0070 0.0021 -0.0026 140 THR A CB 464 O OG1 . THR A 58 ? 0.1113 0.0996 0.1130 -0.0079 0.0021 -0.0026 140 THR A OG1 465 C CG2 . THR A 58 ? 0.1164 0.1083 0.1185 -0.0074 0.0020 -0.0028 140 THR A CG2 466 N N . ILE A 59 ? 0.0871 0.0737 0.0885 -0.0051 0.0025 -0.0023 141 ILE A N 467 C CA . ILE A 59 ? 0.1083 0.0929 0.1097 -0.0044 0.0027 -0.0021 141 ILE A CA 468 C C . ILE A 59 ? 0.1332 0.1156 0.1345 -0.0051 0.0028 -0.0019 141 ILE A C 469 O O . ILE A 59 ? 0.1544 0.1347 0.1555 -0.0048 0.0029 -0.0024 141 ILE A O 470 C CB . ILE A 59 ? 0.1446 0.1298 0.1464 -0.0035 0.0028 -0.0010 141 ILE A CB 471 C CG1 . ILE A 59 ? 0.2171 0.2045 0.2192 -0.0031 0.0027 -0.0011 141 ILE A CG1 472 C CG2 . ILE A 59 ? 0.1446 0.1280 0.1465 -0.0025 0.0031 -0.0009 141 ILE A CG2 473 C CD1 . ILE A 59 ? 0.2643 0.2526 0.2668 -0.0024 0.0027 -0.0001 141 ILE A CD1 474 N N . ARG A 60 ? 0.1173 0.1003 0.1188 -0.0060 0.0026 -0.0012 142 ARG A N 475 C CA . ARG A 60 ? 0.1212 0.1022 0.1227 -0.0068 0.0027 -0.0008 142 ARG A CA 476 C C . ARG A 60 ? 0.1485 0.1290 0.1498 -0.0080 0.0026 -0.0019 142 ARG A C 477 O O . ARG A 60 ? 0.1367 0.1151 0.1380 -0.0088 0.0026 -0.0019 142 ARG A O 478 C CB . ARG A 60 ? 0.1418 0.1240 0.1436 -0.0074 0.0026 0.0006 142 ARG A CB 479 C CG . ARG A 60 ? 0.1694 0.1513 0.1714 -0.0065 0.0027 0.0019 142 ARG A CG 480 C CD . ARG A 60 ? 0.1934 0.1723 0.1955 -0.0061 0.0029 0.0023 142 ARG A CD 481 N NE . ARG A 60 ? 0.1766 0.1553 0.1789 -0.0054 0.0029 0.0040 142 ARG A NE 482 C CZ . ARG A 60 ? 0.2027 0.1789 0.2053 -0.0048 0.0030 0.0047 142 ARG A CZ 483 N NH1 . ARG A 60 ? 0.2122 0.1855 0.2148 -0.0048 0.0033 0.0038 142 ARG A NH1 484 N NH2 . ARG A 60 ? 0.1820 0.1584 0.1849 -0.0041 0.0030 0.0064 142 ARG A NH2 485 N N . GLY A 61 ? 0.1020 0.0844 0.1032 -0.0081 0.0024 -0.0028 143 GLY A N 486 C CA . GLY A 61 ? 0.1192 0.1016 0.1202 -0.0091 0.0022 -0.0039 143 GLY A CA 487 C C . GLY A 61 ? 0.1529 0.1329 0.1534 -0.0089 0.0023 -0.0050 143 GLY A C 488 O O . GLY A 61 ? 0.1233 0.1024 0.1235 -0.0077 0.0025 -0.0052 143 GLY A O 489 N N . LYS A 62 ? 0.1257 0.1046 0.1261 -0.0102 0.0022 -0.0057 144 LYS A N 490 C CA . LYS A 62 ? 0.1319 0.1089 0.1318 -0.0099 0.0021 -0.0069 144 LYS A CA 491 C C . LYS A 62 ? 0.1066 0.0845 0.1058 -0.0092 0.0022 -0.0082 144 LYS A C 492 O O . LYS A 62 ? 0.1327 0.1091 0.1313 -0.0085 0.0023 -0.0090 144 LYS A O 493 C CB . LYS A 62 ? 0.0950 0.0716 0.0950 -0.0113 0.0017 -0.0072 144 LYS A CB 494 C CG . LYS A 62 ? 0.1345 0.1095 0.1352 -0.0118 0.0017 -0.0060 144 LYS A CG 495 C CD . LYS A 62 ? 0.1475 0.1222 0.1485 -0.0133 0.0012 -0.0064 144 LYS A CD 496 C CE . LYS A 62 ? 0.2193 0.1925 0.2212 -0.0139 0.0013 -0.0050 144 LYS A CE 497 N NZ . LYS A 62 ? 0.2155 0.1884 0.2179 -0.0154 0.0009 -0.0055 144 LYS A NZ 498 N N . HIS A 63 ? 0.1135 0.0944 0.1127 -0.0092 0.0020 -0.0081 145 HIS A N 499 C CA . HIS A 63 ? 0.1153 0.0975 0.1139 -0.0085 0.0019 -0.0090 145 HIS A CA 500 C C . HIS A 63 ? 0.1394 0.1215 0.1379 -0.0068 0.0023 -0.0085 145 HIS A C 501 O O . HIS A 63 ? 0.1375 0.1208 0.1354 -0.0061 0.0023 -0.0090 145 HIS A O 502 C CB . HIS A 63 ? 0.1144 0.0997 0.1131 -0.0089 0.0015 -0.0089 145 HIS A CB 503 C CG . HIS A 63 ? 0.1241 0.1102 0.1230 -0.0104 0.0011 -0.0096 145 HIS A CG 504 N ND1 . HIS A 63 ? 0.1217 0.1084 0.1214 -0.0115 0.0010 -0.0088 145 HIS A ND1 505 C CD2 . HIS A 63 ? 0.1307 0.1171 0.1290 -0.0111 0.0008 -0.0109 145 HIS A CD2 506 C CE1 . HIS A 63 ? 0.1472 0.1348 0.1469 -0.0127 0.0006 -0.0096 145 HIS A CE1 507 N NE2 . HIS A 63 ? 0.1180 0.1054 0.1169 -0.0125 0.0004 -0.0108 145 HIS A NE2 508 N N . SER A 64 ? 0.1156 0.0966 0.1146 -0.0063 0.0025 -0.0075 146 SER A N 509 C CA . SER A 64 ? 0.1237 0.1047 0.1228 -0.0048 0.0029 -0.0070 146 SER A CA 510 C C . SER A 64 ? 0.1029 0.0820 0.1014 -0.0041 0.0033 -0.0080 146 SER A C 511 O O . SER A 64 ? 0.1179 0.0975 0.1163 -0.0028 0.0036 -0.0080 146 SER A O 512 C CB . SER A 64 ? 0.1209 0.1015 0.1207 -0.0044 0.0030 -0.0056 146 SER A CB 513 O OG . SER A 64 ? 0.1606 0.1385 0.1605 -0.0046 0.0032 -0.0054 146 SER A OG 514 N N . ASN A 65 ? 0.1097 0.0866 0.1077 -0.0049 0.0032 -0.0090 147 ASN A N 515 C CA . ASN A 65 ? 0.1362 0.1111 0.1337 -0.0042 0.0036 -0.0103 147 ASN A CA 516 C C . ASN A 65 ? 0.1436 0.1203 0.1400 -0.0038 0.0036 -0.0115 147 ASN A C 517 O O . ASN A 65 ? 0.1592 0.1373 0.1552 -0.0048 0.0032 -0.0122 147 ASN A O 518 C CB . ASN A 65 ? 0.1561 0.1288 0.1533 -0.0053 0.0033 -0.0110 147 ASN A CB 519 C CG . ASN A 65 ? 0.2042 0.1747 0.2010 -0.0045 0.0035 -0.0120 147 ASN A CG 520 O OD1 . ASN A 65 ? 0.1671 0.1378 0.1635 -0.0031 0.0040 -0.0126 147 ASN A OD1 521 N ND2 . ASN A 65 ? 0.2676 0.2361 0.2645 -0.0052 0.0031 -0.0122 147 ASN A ND2 522 N N . GLY A 66 ? 0.1194 0.0964 0.1157 -0.0024 0.0041 -0.0116 148 GLY A N 523 C CA . GLY A 66 ? 0.1848 0.1635 0.1801 -0.0019 0.0042 -0.0126 148 GLY A CA 524 C C . GLY A 66 ? 0.1711 0.1529 0.1667 -0.0013 0.0042 -0.0115 148 GLY A C 525 O O . GLY A 66 ? 0.1562 0.1399 0.1510 -0.0010 0.0042 -0.0120 148 GLY A O 526 N N . THR A 67 ? 0.1141 0.0964 0.1107 -0.0012 0.0041 -0.0099 149 THR A N 527 C CA . THR A 67 ? 0.1723 0.1572 0.1693 -0.0009 0.0040 -0.0089 149 THR A CA 528 C C . THR A 67 ? 0.1564 0.1422 0.1536 0.0005 0.0046 -0.0086 149 THR A C 529 O O . THR A 67 ? 0.1506 0.1383 0.1482 0.0007 0.0045 -0.0076 149 THR A O 530 C CB . THR A 67 ? 0.1018 0.0872 0.0999 -0.0014 0.0037 -0.0075 149 THR A CB 531 O OG1 . THR A 67 ? 0.1154 0.0989 0.1141 -0.0011 0.0039 -0.0070 149 THR A OG1 532 C CG2 . THR A 67 ? 0.1301 0.1159 0.1281 -0.0027 0.0032 -0.0077 149 THR A CG2 533 N N . ILE A 68 ? 0.1287 0.1132 0.1255 0.0013 0.0051 -0.0094 150 ILE A N 534 C CA . ILE A 68 ? 0.1151 0.1009 0.1118 0.0026 0.0056 -0.0094 150 ILE A CA 535 C C . ILE A 68 ? 0.1465 0.1346 0.1422 0.0024 0.0056 -0.0098 150 ILE A C 536 O O . ILE A 68 ? 0.1745 0.1646 0.1703 0.0031 0.0059 -0.0093 150 ILE A O 537 C CB . ILE A 68 ? 0.1780 0.1620 0.1745 0.0037 0.0063 -0.0103 150 ILE A CB 538 C CG1 . ILE A 68 ? 0.2001 0.1859 0.1969 0.0051 0.0069 -0.0099 150 ILE A CG1 539 C CG2 . ILE A 68 ? 0.1672 0.1499 0.1624 0.0033 0.0063 -0.0122 150 ILE A CG2 540 C CD1 . ILE A 68 ? 0.2096 0.1937 0.2064 0.0065 0.0076 -0.0108 150 ILE A CD1 541 N N A HIS A 69 ? 0.1557 0.1437 0.1506 0.0014 0.0052 -0.0108 151 HIS A N 542 N N B HIS A 69 ? 0.1556 0.1435 0.1504 0.0014 0.0052 -0.0107 151 HIS A N 543 C CA A HIS A 69 ? 0.1667 0.1569 0.1605 0.0012 0.0050 -0.0112 151 HIS A CA 544 C CA B HIS A 69 ? 0.1664 0.1566 0.1602 0.0012 0.0050 -0.0112 151 HIS A CA 545 C C A HIS A 69 ? 0.1705 0.1630 0.1651 0.0011 0.0048 -0.0096 151 HIS A C 546 C C B HIS A 69 ? 0.1704 0.1629 0.1649 0.0011 0.0048 -0.0096 151 HIS A C 547 O O A HIS A 69 ? 0.1589 0.1511 0.1543 0.0006 0.0044 -0.0087 151 HIS A O 548 O O B HIS A 69 ? 0.1585 0.1508 0.1539 0.0005 0.0044 -0.0087 151 HIS A O 549 C CB A HIS A 69 ? 0.1948 0.1846 0.1878 0.0001 0.0045 -0.0123 151 HIS A CB 550 C CB B HIS A 69 ? 0.1942 0.1838 0.1873 0.0000 0.0044 -0.0123 151 HIS A CB 551 C CG A HIS A 69 ? 0.2279 0.2153 0.2201 0.0000 0.0047 -0.0140 151 HIS A CG 552 C CG B HIS A 69 ? 0.2266 0.2182 0.2183 -0.0002 0.0043 -0.0131 151 HIS A CG 553 N ND1 A HIS A 69 ? 0.2922 0.2779 0.2843 -0.0012 0.0042 -0.0148 151 HIS A ND1 554 N ND1 B HIS A 69 ? 0.2752 0.2671 0.2657 0.0006 0.0049 -0.0142 151 HIS A ND1 555 C CD2 A HIS A 69 ? 0.3014 0.2877 0.2930 0.0009 0.0053 -0.0151 151 HIS A CD2 556 C CD2 B HIS A 69 ? 0.2805 0.2740 0.2717 -0.0010 0.0037 -0.0131 151 HIS A CD2 557 C CE1 A HIS A 69 ? 0.3075 0.2909 0.2989 -0.0011 0.0045 -0.0163 151 HIS A CE1 558 C CE1 B HIS A 69 ? 0.2569 0.2510 0.2462 0.0002 0.0046 -0.0148 151 HIS A CE1 559 N NE2 A HIS A 69 ? 0.2980 0.2817 0.2891 0.0003 0.0052 -0.0166 151 HIS A NE2 560 N NE2 B HIS A 69 ? 0.1874 0.1824 0.1772 -0.0007 0.0038 -0.0140 151 HIS A NE2 561 N N . ASP A 70 ? 0.1680 0.1626 0.1620 0.0016 0.0051 -0.0093 152 ASP A N 562 C CA . ASP A 70 ? 0.1385 0.1350 0.1332 0.0016 0.0050 -0.0078 152 ASP A CA 563 C C . ASP A 70 ? 0.1434 0.1411 0.1378 0.0008 0.0043 -0.0075 152 ASP A C 564 O O . ASP A 70 ? 0.1513 0.1496 0.1467 0.0006 0.0041 -0.0063 152 ASP A O 565 C CB . ASP A 70 ? 0.1535 0.1518 0.1479 0.0025 0.0056 -0.0074 152 ASP A CB 566 C CG . ASP A 70 ? 0.2433 0.2410 0.2383 0.0034 0.0063 -0.0074 152 ASP A CG 567 O OD1 . ASP A 70 ? 0.1661 0.1627 0.1624 0.0034 0.0062 -0.0068 152 ASP A OD1 568 O OD2 . ASP A 70 ? 0.2529 0.2514 0.2472 0.0042 0.0069 -0.0080 152 ASP A OD2 569 N N . ARG A 71 ? 0.1165 0.1147 0.1097 0.0005 0.0041 -0.0086 153 ARG A N 570 C CA . ARG A 71 ? 0.1312 0.1312 0.1241 -0.0001 0.0035 -0.0081 153 ARG A CA 571 C C . ARG A 71 ? 0.1999 0.1993 0.1924 -0.0010 0.0029 -0.0092 153 ARG A C 572 O O . ARG A 71 ? 0.2268 0.2255 0.2182 -0.0012 0.0029 -0.0107 153 ARG A O 573 C CB . ARG A 71 ? 0.1347 0.1370 0.1265 0.0004 0.0037 -0.0080 153 ARG A CB 574 C CG . ARG A 71 ? 0.1308 0.1341 0.1232 0.0011 0.0043 -0.0066 153 ARG A CG 575 C CD . ARG A 71 ? 0.1339 0.1396 0.1249 0.0016 0.0046 -0.0064 153 ARG A CD 576 N NE . ARG A 71 ? 0.1683 0.1740 0.1579 0.0018 0.0049 -0.0081 153 ARG A NE 577 C CZ . ARG A 71 ? 0.2164 0.2214 0.2059 0.0026 0.0057 -0.0087 153 ARG A CZ 578 N NH1 . ARG A 71 ? 0.1696 0.1742 0.1605 0.0030 0.0061 -0.0076 153 ARG A NH1 579 N NH2 . ARG A 71 ? 0.2071 0.2120 0.1952 0.0029 0.0060 -0.0104 153 ARG A NH2 580 N N . SER A 72 ? 0.1567 0.1563 0.1501 -0.0016 0.0024 -0.0086 154 SER A N 581 C CA . SER A 72 ? 0.1327 0.1323 0.1260 -0.0026 0.0018 -0.0094 154 SER A CA 582 C C . SER A 72 ? 0.1460 0.1472 0.1401 -0.0028 0.0013 -0.0083 154 SER A C 583 O O . SER A 72 ? 0.1301 0.1318 0.1251 -0.0023 0.0014 -0.0070 154 SER A O 584 C CB . SER A 72 ? 0.1292 0.1263 0.1230 -0.0032 0.0018 -0.0100 154 SER A CB 585 O OG . SER A 72 ? 0.1310 0.1278 0.1262 -0.0032 0.0017 -0.0089 154 SER A OG 586 N N . GLN A 73 ? 0.1205 0.1226 0.1146 -0.0036 0.0007 -0.0088 155 GLN A N 587 C CA . GLN A 73 ? 0.1225 0.1262 0.1175 -0.0038 0.0002 -0.0079 155 GLN A CA 588 C C . GLN A 73 ? 0.1266 0.1291 0.1230 -0.0040 0.0002 -0.0074 155 GLN A C 589 O O . GLN A 73 ? 0.1179 0.1216 0.1152 -0.0041 -0.0001 -0.0067 155 GLN A O 590 C CB . GLN A 73 ? 0.1387 0.1441 0.1332 -0.0046 -0.0005 -0.0088 155 GLN A CB 591 C CG . GLN A 73 ? 0.1182 0.1253 0.1111 -0.0045 -0.0007 -0.0094 155 GLN A CG 592 C CD . GLN A 73 ? 0.1549 0.1607 0.1465 -0.0050 -0.0005 -0.0111 155 GLN A CD 593 O OE1 . GLN A 73 ? 0.1374 0.1407 0.1291 -0.0050 0.0000 -0.0117 155 GLN A OE1 594 N NE2 . GLN A 73 ? 0.1702 0.1779 0.1606 -0.0055 -0.0010 -0.0121 155 GLN A NE2 595 N N . TYR A 74 ? 0.1015 0.1019 0.0981 -0.0041 0.0007 -0.0077 156 TYR A N 596 C CA . TYR A 74 ? 0.0707 0.0700 0.0684 -0.0045 0.0007 -0.0073 156 TYR A CA 597 C C . TYR A 74 ? 0.1249 0.1235 0.1233 -0.0037 0.0011 -0.0063 156 TYR A C 598 O O . TYR A 74 ? 0.1021 0.1000 0.1013 -0.0039 0.0012 -0.0059 156 TYR A O 599 C CB . TYR A 74 ? 0.0934 0.0908 0.0909 -0.0052 0.0008 -0.0082 156 TYR A CB 600 C CG . TYR A 74 ? 0.1388 0.1366 0.1354 -0.0060 0.0004 -0.0094 156 TYR A CG 601 C CD1 . TYR A 74 ? 0.1118 0.1118 0.1086 -0.0066 -0.0002 -0.0095 156 TYR A CD1 602 C CD2 . TYR A 74 ? 0.1508 0.1472 0.1463 -0.0060 0.0006 -0.0105 156 TYR A CD2 603 C CE1 . TYR A 74 ? 0.1042 0.1049 0.1001 -0.0074 -0.0006 -0.0106 156 TYR A CE1 604 C CE2 . TYR A 74 ? 0.1503 0.1471 0.1449 -0.0067 0.0003 -0.0118 156 TYR A CE2 605 C CZ . TYR A 74 ? 0.1476 0.1467 0.1424 -0.0075 -0.0004 -0.0118 156 TYR A CZ 606 O OH . TYR A 74 ? 0.1608 0.1607 0.1546 -0.0084 -0.0008 -0.0132 156 TYR A OH 607 N N . ARG A 75 ? 0.0839 0.0831 0.0820 -0.0029 0.0013 -0.0058 157 ARG A N 608 C CA . ARG A 75 ? 0.0998 0.0986 0.0986 -0.0023 0.0017 -0.0049 157 ARG A CA 609 C C . ARG A 75 ? 0.0857 0.0857 0.0853 -0.0021 0.0015 -0.0039 157 ARG A C 610 O O . ARG A 75 ? 0.1165 0.1179 0.1160 -0.0021 0.0012 -0.0037 157 ARG A O 611 C CB . ARG A 75 ? 0.1112 0.1099 0.1093 -0.0017 0.0021 -0.0048 157 ARG A CB 612 C CG . ARG A 75 ? 0.0978 0.0951 0.0952 -0.0017 0.0024 -0.0058 157 ARG A CG 613 C CD . ARG A 75 ? 0.1060 0.1030 0.1033 -0.0009 0.0030 -0.0055 157 ARG A CD 614 N NE . ARG A 75 ? 0.0916 0.0878 0.0900 -0.0008 0.0031 -0.0048 157 ARG A NE 615 C CZ . ARG A 75 ? 0.1043 0.1003 0.1030 -0.0002 0.0036 -0.0045 157 ARG A CZ 616 N NH1 . ARG A 75 ? 0.0856 0.0810 0.0852 -0.0002 0.0036 -0.0039 157 ARG A NH1 617 N NH2 . ARG A 75 ? 0.1155 0.1121 0.1135 0.0004 0.0040 -0.0048 157 ARG A NH2 618 N N . ALA A 76 ? 0.1102 0.1095 0.1107 -0.0019 0.0017 -0.0033 158 ALA A N 619 C CA . ALA A 76 ? 0.1105 0.1105 0.1119 -0.0017 0.0016 -0.0025 158 ALA A CA 620 C C . ALA A 76 ? 0.1247 0.1238 0.1268 -0.0015 0.0020 -0.0019 158 ALA A C 621 O O . ALA A 76 ? 0.0925 0.0907 0.0946 -0.0017 0.0021 -0.0022 158 ALA A O 622 C CB . ALA A 76 ? 0.1262 0.1265 0.1282 -0.0020 0.0013 -0.0027 158 ALA A CB 623 N N . LEU A 77 ? 0.1007 0.1001 0.1033 -0.0011 0.0020 -0.0011 159 LEU A N 624 C CA . LEU A 77 ? 0.0785 0.0772 0.0820 -0.0012 0.0022 -0.0007 159 LEU A CA 625 C C . LEU A 77 ? 0.0872 0.0854 0.0913 -0.0015 0.0021 -0.0011 159 LEU A C 626 O O . LEU A 77 ? 0.1139 0.1125 0.1185 -0.0013 0.0019 -0.0010 159 LEU A O 627 C CB . LEU A 77 ? 0.1102 0.1092 0.1141 -0.0008 0.0024 0.0003 159 LEU A CB 628 C CG . LEU A 77 ? 0.0822 0.0804 0.0871 -0.0010 0.0025 0.0007 159 LEU A CG 629 C CD1 . LEU A 77 ? 0.0803 0.0784 0.0852 -0.0012 0.0028 0.0005 159 LEU A CD1 630 C CD2 . LEU A 77 ? 0.1082 0.1065 0.1137 -0.0008 0.0026 0.0017 159 LEU A CD2 631 N N . ILE A 78 ? 0.0927 0.0904 0.0970 -0.0018 0.0022 -0.0014 160 ILE A N 632 C CA . ILE A 78 ? 0.0933 0.0907 0.0982 -0.0021 0.0021 -0.0017 160 ILE A CA 633 C C . ILE A 78 ? 0.0929 0.0898 0.0984 -0.0022 0.0022 -0.0015 160 ILE A C 634 O O . ILE A 78 ? 0.1034 0.1002 0.1088 -0.0022 0.0024 -0.0011 160 ILE A O 635 C CB . ILE A 78 ? 0.0923 0.0896 0.0968 -0.0025 0.0020 -0.0023 160 ILE A CB 636 C CG1 . ILE A 78 ? 0.0985 0.0953 0.1025 -0.0025 0.0022 -0.0022 160 ILE A CG1 637 C CG2 . ILE A 78 ? 0.0975 0.0953 0.1016 -0.0026 0.0018 -0.0026 160 ILE A CG2 638 C CD1 . ILE A 78 ? 0.0938 0.0902 0.0975 -0.0029 0.0021 -0.0025 160 ILE A CD1 639 N N . SER A 79 ? 0.0855 0.0823 0.0915 -0.0024 0.0022 -0.0018 161 SER A N 640 C CA . SER A 79 ? 0.1035 0.0999 0.1100 -0.0027 0.0022 -0.0019 161 SER A CA 641 C C . SER A 79 ? 0.0962 0.0929 0.1027 -0.0030 0.0022 -0.0026 161 SER A C 642 O O . SER A 79 ? 0.1131 0.1101 0.1194 -0.0030 0.0021 -0.0029 161 SER A O 643 C CB . SER A 79 ? 0.1044 0.1003 0.1117 -0.0026 0.0023 -0.0016 161 SER A CB 644 O OG . SER A 79 ? 0.1358 0.1316 0.1436 -0.0023 0.0023 -0.0021 161 SER A OG 645 N N . TRP A 80 ? 0.1058 0.1025 0.1123 -0.0034 0.0021 -0.0027 162 TRP A N 646 C CA . TRP A 80 ? 0.1205 0.1177 0.1269 -0.0038 0.0021 -0.0032 162 TRP A CA 647 C C . TRP A 80 ? 0.1145 0.1118 0.1211 -0.0042 0.0020 -0.0034 162 TRP A C 648 O O . TRP A 80 ? 0.1250 0.1221 0.1320 -0.0043 0.0020 -0.0030 162 TRP A O 649 C CB . TRP A 80 ? 0.1228 0.1204 0.1285 -0.0039 0.0020 -0.0030 162 TRP A CB 650 C CG . TRP A 80 ? 0.1119 0.1094 0.1174 -0.0039 0.0020 -0.0024 162 TRP A CG 651 C CD1 . TRP A 80 ? 0.0993 0.0973 0.1047 -0.0041 0.0019 -0.0023 162 TRP A CD1 652 C CD2 . TRP A 80 ? 0.1042 0.1013 0.1096 -0.0035 0.0021 -0.0020 162 TRP A CD2 653 N NE1 . TRP A 80 ? 0.1113 0.1092 0.1167 -0.0038 0.0019 -0.0017 162 TRP A NE1 654 C CE2 . TRP A 80 ? 0.1006 0.0980 0.1060 -0.0034 0.0021 -0.0016 162 TRP A CE2 655 C CE3 . TRP A 80 ? 0.1128 0.1096 0.1180 -0.0031 0.0022 -0.0019 162 TRP A CE3 656 C CZ2 . TRP A 80 ? 0.1103 0.1075 0.1156 -0.0030 0.0023 -0.0011 162 TRP A CZ2 657 C CZ3 . TRP A 80 ? 0.0980 0.0947 0.1031 -0.0027 0.0023 -0.0015 162 TRP A CZ3 658 C CH2 . TRP A 80 ? 0.1062 0.1031 0.1113 -0.0027 0.0024 -0.0012 162 TRP A CH2 659 N N . PRO A 81 ? 0.1087 0.1066 0.1152 -0.0046 0.0019 -0.0041 163 PRO A N 660 C CA . PRO A 81 ? 0.1026 0.1008 0.1094 -0.0051 0.0018 -0.0045 163 PRO A CA 661 C C . PRO A 81 ? 0.1011 0.0999 0.1079 -0.0054 0.0016 -0.0039 163 PRO A C 662 O O . PRO A 81 ? 0.0999 0.0991 0.1061 -0.0052 0.0016 -0.0033 163 PRO A O 663 C CB . PRO A 81 ? 0.1445 0.1435 0.1508 -0.0054 0.0018 -0.0053 163 PRO A CB 664 C CG . PRO A 81 ? 0.1187 0.1175 0.1249 -0.0049 0.0020 -0.0055 163 PRO A CG 665 C CD . PRO A 81 ? 0.1232 0.1216 0.1293 -0.0046 0.0020 -0.0046 163 PRO A CD 666 N N . LEU A 82 ? 0.1123 0.1111 0.1197 -0.0058 0.0015 -0.0040 164 LEU A N 667 C CA . LEU A 82 ? 0.0972 0.0969 0.1048 -0.0060 0.0013 -0.0033 164 LEU A CA 668 C C . LEU A 82 ? 0.0906 0.0916 0.0976 -0.0061 0.0011 -0.0031 164 LEU A C 669 O O . LEU A 82 ? 0.0972 0.0988 0.1037 -0.0065 0.0009 -0.0037 164 LEU A O 670 C CB . LEU A 82 ? 0.1313 0.1311 0.1396 -0.0068 0.0011 -0.0038 164 LEU A CB 671 C CG . LEU A 82 ? 0.2139 0.2148 0.2230 -0.0070 0.0010 -0.0031 164 LEU A CG 672 C CD1 . LEU A 82 ? 0.2143 0.2143 0.2239 -0.0067 0.0013 -0.0023 164 LEU A CD1 673 C CD2 . LEU A 82 ? 0.1583 0.1599 0.1679 -0.0081 0.0007 -0.0037 164 LEU A CD2 674 N N . SER A 83 ? 0.0996 0.1009 0.1065 -0.0057 0.0011 -0.0022 165 SER A N 675 C CA . SER A 83 ? 0.1024 0.1048 0.1089 -0.0056 0.0009 -0.0017 165 SER A CA 676 C C . SER A 83 ? 0.0687 0.0708 0.0743 -0.0054 0.0010 -0.0016 165 SER A C 677 O O . SER A 83 ? 0.1079 0.1108 0.1132 -0.0053 0.0008 -0.0010 165 SER A O 678 C CB . SER A 83 ? 0.0890 0.0931 0.0957 -0.0062 0.0005 -0.0017 165 SER A CB 679 O OG . SER A 83 ? 0.1161 0.1208 0.1238 -0.0063 0.0004 -0.0014 165 SER A OG 680 N N A SER A 84 ? 0.0941 0.0954 0.0995 -0.0054 0.0012 -0.0022 166 SER A N 681 N N B SER A 84 ? 0.0940 0.0953 0.0993 -0.0054 0.0012 -0.0022 166 SER A N 682 C CA A SER A 84 ? 0.0953 0.0963 0.1000 -0.0053 0.0013 -0.0021 166 SER A CA 683 C CA B SER A 84 ? 0.0951 0.0961 0.0998 -0.0053 0.0013 -0.0021 166 SER A CA 684 C C A SER A 84 ? 0.0902 0.0901 0.0949 -0.0048 0.0015 -0.0015 166 SER A C 685 C C B SER A 84 ? 0.0904 0.0903 0.0952 -0.0048 0.0015 -0.0015 166 SER A C 686 O O A SER A 84 ? 0.1005 0.0999 0.1057 -0.0044 0.0016 -0.0014 166 SER A O 687 O O B SER A 84 ? 0.1010 0.1004 0.1062 -0.0045 0.0016 -0.0014 166 SER A O 688 C CB A SER A 84 ? 0.1098 0.1105 0.1145 -0.0055 0.0015 -0.0030 166 SER A CB 689 C CB B SER A 84 ? 0.1070 0.1078 0.1115 -0.0055 0.0015 -0.0030 166 SER A CB 690 O OG A SER A 84 ? 0.0819 0.0836 0.0863 -0.0059 0.0014 -0.0036 166 SER A OG 691 O OG B SER A 84 ? 0.0746 0.0745 0.0797 -0.0052 0.0016 -0.0032 166 SER A OG 692 N N . PRO A 85 ? 0.1004 0.0998 0.1046 -0.0047 0.0015 -0.0012 167 PRO A N 693 C CA . PRO A 85 ? 0.1141 0.1123 0.1183 -0.0042 0.0017 -0.0009 167 PRO A CA 694 C C . PRO A 85 ? 0.0825 0.0802 0.0867 -0.0043 0.0019 -0.0015 167 PRO A C 695 O O . PRO A 85 ? 0.1089 0.1071 0.1131 -0.0046 0.0019 -0.0020 167 PRO A O 696 C CB . PRO A 85 ? 0.1845 0.1824 0.1883 -0.0043 0.0017 -0.0003 167 PRO A CB 697 C CG . PRO A 85 ? 0.1346 0.1335 0.1380 -0.0049 0.0016 -0.0003 167 PRO A CG 698 C CD . PRO A 85 ? 0.1042 0.1043 0.1079 -0.0051 0.0015 -0.0009 167 PRO A CD 699 N N . PRO A 86 ? 0.0796 0.0764 0.0837 -0.0039 0.0020 -0.0015 168 PRO A N 700 C CA . PRO A 86 ? 0.0764 0.0730 0.0804 -0.0039 0.0020 -0.0020 168 PRO A CA 701 C C . PRO A 86 ? 0.1375 0.1339 0.1411 -0.0043 0.0020 -0.0021 168 PRO A C 702 O O . PRO A 86 ? 0.1492 0.1447 0.1525 -0.0043 0.0021 -0.0020 168 PRO A O 703 C CB . PRO A 86 ? 0.1154 0.1114 0.1194 -0.0034 0.0022 -0.0019 168 PRO A CB 704 C CG . PRO A 86 ? 0.1130 0.1085 0.1168 -0.0031 0.0022 -0.0014 168 PRO A CG 705 C CD . PRO A 86 ? 0.0889 0.0852 0.0930 -0.0033 0.0021 -0.0011 168 PRO A CD 706 N N . THR A 87 ? 0.1011 0.0983 0.1048 -0.0048 0.0020 -0.0024 169 THR A N 707 C CA . THR A 87 ? 0.1223 0.1195 0.1257 -0.0053 0.0020 -0.0024 169 THR A CA 708 C C . THR A 87 ? 0.1310 0.1287 0.1347 -0.0054 0.0020 -0.0029 169 THR A C 709 O O . THR A 87 ? 0.1023 0.1003 0.1062 -0.0050 0.0020 -0.0032 169 THR A O 710 C CB . THR A 87 ? 0.1151 0.1134 0.1185 -0.0058 0.0021 -0.0022 169 THR A CB 711 O OG1 . THR A 87 ? 0.1674 0.1668 0.1711 -0.0058 0.0021 -0.0028 169 THR A OG1 712 C CG2 . THR A 87 ? 0.1645 0.1629 0.1677 -0.0056 0.0020 -0.0018 169 THR A CG2 713 N N . VAL A 88 ? 0.1125 0.1101 0.1159 -0.0059 0.0020 -0.0029 170 VAL A N 714 C CA . VAL A 88 ? 0.1084 0.1069 0.1121 -0.0061 0.0020 -0.0034 170 VAL A CA 715 C C . VAL A 88 ? 0.0977 0.0977 0.1020 -0.0059 0.0021 -0.0036 170 VAL A C 716 O O . VAL A 88 ? 0.1571 0.1578 0.1619 -0.0056 0.0020 -0.0040 170 VAL A O 717 C CB . VAL A 88 ? 0.1177 0.1162 0.1213 -0.0070 0.0019 -0.0033 170 VAL A CB 718 C CG1 . VAL A 88 ? 0.1383 0.1382 0.1423 -0.0072 0.0018 -0.0038 170 VAL A CG1 719 C CG2 . VAL A 88 ? 0.1060 0.1027 0.1091 -0.0071 0.0019 -0.0032 170 VAL A CG2 720 N N . TYR A 89 ? 0.1082 0.1087 0.1124 -0.0061 0.0022 -0.0036 171 TYR A N 721 C CA . TYR A 89 ? 0.1429 0.1448 0.1475 -0.0060 0.0024 -0.0040 171 TYR A CA 722 C C . TYR A 89 ? 0.1849 0.1866 0.1898 -0.0053 0.0024 -0.0044 171 TYR A C 723 O O . TYR A 89 ? 0.2112 0.2138 0.2165 -0.0051 0.0026 -0.0049 171 TYR A O 724 C CB . TYR A 89 ? 0.1271 0.1300 0.1314 -0.0066 0.0026 -0.0038 171 TYR A CB 725 C CG . TYR A 89 ? 0.1112 0.1139 0.1153 -0.0074 0.0025 -0.0033 171 TYR A CG 726 C CD1 . TYR A 89 ? 0.1093 0.1124 0.1137 -0.0077 0.0025 -0.0035 171 TYR A CD1 727 C CD2 . TYR A 89 ? 0.1356 0.1376 0.1391 -0.0078 0.0025 -0.0026 171 TYR A CD2 728 C CE1 . TYR A 89 ? 0.1045 0.1072 0.1087 -0.0086 0.0024 -0.0030 171 TYR A CE1 729 C CE2 . TYR A 89 ? 0.0905 0.0918 0.0938 -0.0086 0.0025 -0.0020 171 TYR A CE2 730 C CZ . TYR A 89 ? 0.1173 0.1190 0.1210 -0.0090 0.0025 -0.0023 171 TYR A CZ 731 O OH . TYR A 89 ? 0.1281 0.1290 0.1317 -0.0099 0.0025 -0.0019 171 TYR A OH 732 N N . ASN A 90 ? 0.1413 0.1419 0.1461 -0.0051 0.0023 -0.0041 172 ASN A N 733 C CA . ASN A 90 ? 0.1458 0.1461 0.1509 -0.0047 0.0023 -0.0044 172 ASN A CA 734 C C . ASN A 90 ? 0.1962 0.1955 0.2016 -0.0042 0.0022 -0.0042 172 ASN A C 735 O O . ASN A 90 ? 0.2860 0.2849 0.2918 -0.0040 0.0022 -0.0043 172 ASN A O 736 C CB . ASN A 90 ? 0.1527 0.1530 0.1574 -0.0050 0.0022 -0.0043 172 ASN A CB 737 C CG . ASN A 90 ? 0.2720 0.2714 0.2764 -0.0050 0.0021 -0.0036 172 ASN A CG 738 O OD1 . ASN A 90 ? 0.3076 0.3064 0.3119 -0.0049 0.0021 -0.0032 172 ASN A OD1 739 N ND2 . ASN A 90 ? 0.2098 0.2093 0.2142 -0.0051 0.0020 -0.0034 172 ASN A ND2 740 N N . SER A 91 ? 0.1180 0.1170 0.1232 -0.0041 0.0021 -0.0038 173 SER A N 741 C CA . SER A 91 ? 0.0911 0.0894 0.0964 -0.0037 0.0020 -0.0035 173 SER A CA 742 C C . SER A 91 ? 0.1634 0.1622 0.1692 -0.0032 0.0020 -0.0036 173 SER A C 743 O O . SER A 91 ? 0.2232 0.2228 0.2291 -0.0032 0.0020 -0.0038 173 SER A O 744 C CB . SER A 91 ? 0.0990 0.0968 0.1037 -0.0037 0.0020 -0.0032 173 SER A CB 745 O OG . SER A 91 ? 0.1555 0.1528 0.1599 -0.0039 0.0020 -0.0030 173 SER A OG 746 N N . ARG A 92 ? 0.0788 0.0770 0.0850 -0.0027 0.0020 -0.0034 174 ARG A N 747 C CA . ARG A 92 ? 0.0896 0.0882 0.0965 -0.0022 0.0020 -0.0033 174 ARG A CA 748 C C . ARG A 92 ? 0.1222 0.1206 0.1287 -0.0019 0.0019 -0.0026 174 ARG A C 749 O O . ARG A 92 ? 0.1338 0.1316 0.1401 -0.0019 0.0020 -0.0022 174 ARG A O 750 C CB . ARG A 92 ? 0.1294 0.1272 0.1370 -0.0019 0.0021 -0.0034 174 ARG A CB 751 C CG . ARG A 92 ? 0.2080 0.2057 0.2163 -0.0011 0.0021 -0.0030 174 ARG A CG 752 C CD . ARG A 92 ? 0.2676 0.2643 0.2767 -0.0008 0.0023 -0.0033 174 ARG A CD 753 N NE . ARG A 92 ? 0.3224 0.3179 0.3317 -0.0011 0.0023 -0.0030 174 ARG A NE 754 C CZ . ARG A 92 ? 0.2829 0.2775 0.2926 -0.0014 0.0025 -0.0036 174 ARG A CZ 755 N NH1 . ARG A 92 ? 0.2540 0.2488 0.2638 -0.0014 0.0026 -0.0046 174 ARG A NH1 756 N NH2 . ARG A 92 ? 0.2196 0.2133 0.2295 -0.0019 0.0025 -0.0033 174 ARG A NH2 757 N N . VAL A 93 ? 0.1260 0.1254 0.1324 -0.0017 0.0017 -0.0026 175 VAL A N 758 C CA . VAL A 93 ? 0.0895 0.0891 0.0954 -0.0014 0.0016 -0.0020 175 VAL A CA 759 C C . VAL A 93 ? 0.1224 0.1218 0.1289 -0.0008 0.0016 -0.0013 175 VAL A C 760 O O . VAL A 93 ? 0.1470 0.1467 0.1542 -0.0003 0.0015 -0.0012 175 VAL A O 761 C CB . VAL A 93 ? 0.1276 0.1285 0.1332 -0.0015 0.0013 -0.0023 175 VAL A CB 762 C CG1 . VAL A 93 ? 0.1169 0.1182 0.1218 -0.0013 0.0011 -0.0018 175 VAL A CG1 763 C CG2 . VAL A 93 ? 0.1033 0.1040 0.1083 -0.0023 0.0013 -0.0029 175 VAL A CG2 764 N N . GLU A 94 ? 0.0971 0.0960 0.1033 -0.0007 0.0017 -0.0007 176 GLU A N 765 C CA . GLU A 94 ? 0.1019 0.1004 0.1086 -0.0002 0.0018 0.0002 176 GLU A CA 766 C C . GLU A 94 ? 0.1495 0.1493 0.1558 0.0002 0.0016 0.0009 176 GLU A C 767 O O . GLU A 94 ? 0.1480 0.1480 0.1549 0.0008 0.0015 0.0016 176 GLU A O 768 C CB . GLU A 94 ? 0.1003 0.0980 0.1071 -0.0005 0.0020 0.0006 176 GLU A CB 769 C CG . GLU A 94 ? 0.1649 0.1617 0.1721 -0.0010 0.0022 0.0000 176 GLU A CG 770 C CD . GLU A 94 ? 0.2845 0.2805 0.2927 -0.0009 0.0022 -0.0003 176 GLU A CD 771 O OE1 . GLU A 94 ? 0.3310 0.3268 0.3398 -0.0004 0.0022 0.0002 176 GLU A OE1 772 O OE2 . GLU A 94 ? 0.2574 0.2530 0.2657 -0.0013 0.0022 -0.0011 176 GLU A OE2 773 N N . CYS A 95 ? 0.1084 0.1090 0.1136 -0.0001 0.0015 0.0006 177 CYS A N 774 C CA . CYS A 95 ? 0.0914 0.0935 0.0959 0.0002 0.0012 0.0010 177 CYS A CA 775 C C . CYS A 95 ? 0.1337 0.1362 0.1370 -0.0002 0.0012 0.0002 177 CYS A C 776 O O . CYS A 95 ? 0.1246 0.1261 0.1277 -0.0006 0.0014 -0.0005 177 CYS A O 777 C CB . CYS A 95 ? 0.1289 0.1311 0.1333 0.0007 0.0013 0.0023 177 CYS A CB 778 S SG . CYS A 95 ? 0.1812 0.1823 0.1856 0.0004 0.0019 0.0027 177 CYS A SG 779 N N . ILE A 96 ? 0.1075 0.1115 0.1100 -0.0002 0.0009 0.0001 178 ILE A N 780 C CA . ILE A 96 ? 0.1024 0.1067 0.1038 -0.0007 0.0008 -0.0009 178 ILE A CA 781 C C . ILE A 96 ? 0.1057 0.1103 0.1059 -0.0005 0.0010 -0.0007 178 ILE A C 782 O O . ILE A 96 ? 0.1178 0.1236 0.1178 0.0000 0.0010 0.0002 178 ILE A O 783 C CB . ILE A 96 ? 0.0853 0.0913 0.0864 -0.0009 0.0002 -0.0013 178 ILE A CB 784 C CG1 . ILE A 96 ? 0.1162 0.1224 0.1186 -0.0010 0.0001 -0.0014 178 ILE A CG1 785 C CG2 . ILE A 96 ? 0.1090 0.1150 0.1089 -0.0015 0.0001 -0.0025 178 ILE A CG2 786 C CD1 . ILE A 96 ? 0.1678 0.1725 0.1705 -0.0015 0.0003 -0.0022 178 ILE A CD1 787 N N . GLY A 97 ? 0.1063 0.1100 0.1059 -0.0007 0.0013 -0.0015 179 GLY A N 788 C CA . GLY A 97 ? 0.0924 0.0966 0.0909 -0.0005 0.0016 -0.0015 179 GLY A CA 789 C C . GLY A 97 ? 0.1497 0.1524 0.1480 -0.0005 0.0021 -0.0020 179 GLY A C 790 O O . GLY A 97 ? 0.1183 0.1197 0.1173 -0.0008 0.0022 -0.0024 179 GLY A O 791 N N . TRP A 98 ? 0.1041 0.1074 0.1016 -0.0001 0.0025 -0.0020 180 TRP A N 792 C CA . TRP A 98 ? 0.0842 0.0865 0.0815 0.0000 0.0030 -0.0025 180 TRP A CA 793 C C . TRP A 98 ? 0.0995 0.1023 0.0972 0.0005 0.0036 -0.0016 180 TRP A C 794 O O . TRP A 98 ? 0.1245 0.1270 0.1220 0.0008 0.0040 -0.0020 180 TRP A O 795 C CB . TRP A 98 ? 0.0841 0.0864 0.0801 0.0000 0.0031 -0.0039 180 TRP A CB 796 C CG . TRP A 98 ? 0.1310 0.1352 0.1257 0.0001 0.0029 -0.0040 180 TRP A CG 797 C CD1 . TRP A 98 ? 0.1123 0.1171 0.1062 -0.0004 0.0024 -0.0048 180 TRP A CD1 798 C CD2 . TRP A 98 ? 0.1429 0.1488 0.1369 0.0006 0.0033 -0.0033 180 TRP A CD2 799 N NE1 . TRP A 98 ? 0.1274 0.1344 0.1202 -0.0001 0.0023 -0.0046 180 TRP A NE1 800 C CE2 . TRP A 98 ? 0.1270 0.1346 0.1198 0.0005 0.0029 -0.0037 180 TRP A CE2 801 C CE3 . TRP A 98 ? 0.1262 0.1326 0.1206 0.0011 0.0039 -0.0023 180 TRP A CE3 802 C CZ2 . TRP A 98 ? 0.1506 0.1603 0.1423 0.0009 0.0031 -0.0030 180 TRP A CZ2 803 C CZ3 . TRP A 98 ? 0.1223 0.1307 0.1157 0.0015 0.0041 -0.0016 180 TRP A CZ3 804 C CH2 . TRP A 98 ? 0.1310 0.1410 0.1230 0.0014 0.0038 -0.0020 180 TRP A CH2 805 N N . SER A 99 ? 0.1314 0.1349 0.1297 0.0005 0.0035 -0.0003 181 SER A N 806 C CA . SER A 99 ? 0.0972 0.1011 0.0962 0.0007 0.0040 0.0008 181 SER A CA 807 C C . SER A 99 ? 0.1167 0.1203 0.1168 0.0005 0.0038 0.0019 181 SER A C 808 O O . SER A 99 ? 0.1245 0.1286 0.1245 0.0005 0.0034 0.0023 181 SER A O 809 C CB . SER A 99 ? 0.1280 0.1337 0.1260 0.0011 0.0044 0.0013 181 SER A CB 810 O OG . SER A 99 ? 0.1200 0.1262 0.1188 0.0012 0.0049 0.0023 181 SER A OG 811 N N . SER A 100 ? 0.0846 0.0875 0.0860 0.0003 0.0040 0.0024 182 SER A N 812 C CA . SER A 100 ? 0.0930 0.0952 0.0956 0.0000 0.0037 0.0032 182 SER A CA 813 C C . SER A 100 ? 0.1240 0.1260 0.1277 -0.0002 0.0040 0.0042 182 SER A C 814 O O . SER A 100 ? 0.1072 0.1098 0.1110 -0.0003 0.0044 0.0042 182 SER A O 815 C CB . SER A 100 ? 0.1198 0.1207 0.1228 -0.0002 0.0033 0.0023 182 SER A CB 816 O OG . SER A 100 ? 0.1269 0.1271 0.1306 -0.0005 0.0035 0.0021 182 SER A OG 817 N N . THR A 101 ? 0.1262 0.1275 0.1307 -0.0004 0.0039 0.0049 183 THR A N 818 C CA . THR A 101 ? 0.0878 0.0883 0.0936 -0.0010 0.0040 0.0055 183 THR A CA 819 C C . THR A 101 ? 0.0875 0.0866 0.0942 -0.0011 0.0037 0.0054 183 THR A C 820 O O . THR A 101 ? 0.1312 0.1302 0.1375 -0.0007 0.0034 0.0053 183 THR A O 821 C CB . THR A 101 ? 0.1108 0.1122 0.1169 -0.0011 0.0044 0.0070 183 THR A CB 822 O OG1 . THR A 101 ? 0.1099 0.1107 0.1175 -0.0018 0.0045 0.0074 183 THR A OG1 823 C CG2 . THR A 101 ? 0.1446 0.1461 0.1507 -0.0008 0.0043 0.0080 183 THR A CG2 824 N N . SER A 102 ? 0.1070 0.1051 0.1149 -0.0016 0.0037 0.0055 184 SER A N 825 C CA . SER A 102 ? 0.1308 0.1273 0.1395 -0.0017 0.0034 0.0052 184 SER A CA 826 C C . SER A 102 ? 0.1382 0.1338 0.1482 -0.0025 0.0036 0.0056 184 SER A C 827 O O . SER A 102 ? 0.1077 0.1038 0.1178 -0.0030 0.0037 0.0054 184 SER A O 828 C CB . SER A 102 ? 0.1171 0.1133 0.1255 -0.0017 0.0032 0.0038 184 SER A CB 829 O OG . SER A 102 ? 0.1200 0.1151 0.1291 -0.0016 0.0030 0.0034 184 SER A OG 830 N N . CYS A 103 ? 0.1316 0.1257 0.1424 -0.0025 0.0035 0.0059 185 CYS A N 831 C CA . CYS A 103 ? 0.1132 0.1059 0.1252 -0.0033 0.0036 0.0060 185 CYS A CA 832 C C . CYS A 103 ? 0.1283 0.1190 0.1413 -0.0032 0.0035 0.0059 185 CYS A C 833 O O . CYS A 103 ? 0.1170 0.1074 0.1298 -0.0023 0.0034 0.0064 185 CYS A O 834 C CB . CYS A 103 ? 0.0981 0.0914 0.1106 -0.0039 0.0039 0.0075 185 CYS A CB 835 S SG . CYS A 103 ? 0.1399 0.1338 0.1520 -0.0032 0.0041 0.0094 185 CYS A SG 836 N N . HIS A 104 ? 0.1286 0.1179 0.1424 -0.0039 0.0034 0.0050 186 HIS A N 837 C CA . HIS A 104 ? 0.1164 0.1035 0.1312 -0.0037 0.0034 0.0047 186 HIS A CA 838 C C . HIS A 104 ? 0.1275 0.1131 0.1434 -0.0044 0.0036 0.0059 186 HIS A C 839 O O . HIS A 104 ? 0.1465 0.1325 0.1627 -0.0054 0.0037 0.0062 186 HIS A O 840 C CB . HIS A 104 ? 0.1196 0.1061 0.1346 -0.0042 0.0032 0.0028 186 HIS A CB 841 C CG . HIS A 104 ? 0.1611 0.1459 0.1765 -0.0036 0.0032 0.0020 186 HIS A CG 842 N ND1 . HIS A 104 ? 0.1557 0.1380 0.1723 -0.0037 0.0033 0.0022 186 HIS A ND1 843 C CD2 . HIS A 104 ? 0.1473 0.1324 0.1622 -0.0028 0.0031 0.0009 186 HIS A CD2 844 C CE1 . HIS A 104 ? 0.1316 0.1129 0.1484 -0.0029 0.0033 0.0012 186 HIS A CE1 845 N NE2 . HIS A 104 ? 0.1419 0.1249 0.1577 -0.0024 0.0032 0.0005 186 HIS A NE2 846 N N . ASP A 105 ? 0.1395 0.1234 0.1561 -0.0037 0.0037 0.0067 187 ASP A N 847 C CA . ASP A 105 ? 0.0901 0.0723 0.1077 -0.0043 0.0039 0.0081 187 ASP A CA 848 C C . ASP A 105 ? 0.1501 0.1302 0.1682 -0.0048 0.0037 0.0068 187 ASP A C 849 O O . ASP A 105 ? 0.1498 0.1286 0.1684 -0.0052 0.0038 0.0075 187 ASP A O 850 C CB . ASP A 105 ? 0.0914 0.0734 0.1091 -0.0033 0.0040 0.0100 187 ASP A CB 851 C CG . ASP A 105 ? 0.1298 0.1105 0.1478 -0.0020 0.0038 0.0096 187 ASP A CG 852 O OD1 . ASP A 105 ? 0.1428 0.1223 0.1611 -0.0020 0.0037 0.0079 187 ASP A OD1 853 O OD2 . ASP A 105 ? 0.1750 0.1562 0.1928 -0.0009 0.0038 0.0110 187 ASP A OD2 854 N N . GLY A 106 ? 0.1162 0.0960 0.1341 -0.0048 0.0036 0.0048 188 GLY A N 855 C CA . GLY A 106 ? 0.1153 0.0932 0.1335 -0.0051 0.0034 0.0034 188 GLY A CA 856 C C . GLY A 106 ? 0.1364 0.1130 0.1548 -0.0038 0.0035 0.0027 188 GLY A C 857 O O . GLY A 106 ? 0.1655 0.1412 0.1838 -0.0039 0.0034 0.0010 188 GLY A O 858 N N . LYS A 107 ? 0.1442 0.1209 0.1628 -0.0026 0.0036 0.0041 189 LYS A N 859 C CA . LYS A 107 ? 0.1256 0.1015 0.1445 -0.0012 0.0036 0.0036 189 LYS A CA 860 C C . LYS A 107 ? 0.1390 0.1168 0.1576 -0.0004 0.0036 0.0032 189 LYS A C 861 O O . LYS A 107 ? 0.1459 0.1237 0.1644 0.0000 0.0036 0.0016 189 LYS A O 862 C CB . LYS A 107 ? 0.1619 0.1367 0.1814 -0.0002 0.0037 0.0055 189 LYS A CB 863 C CG . LYS A 107 ? 0.1797 0.1522 0.1996 -0.0008 0.0037 0.0058 189 LYS A CG 864 C CD . LYS A 107 ? 0.2462 0.2176 0.2667 0.0004 0.0038 0.0076 189 LYS A CD 865 C CE . LYS A 107 ? 0.3100 0.2791 0.3309 -0.0003 0.0038 0.0082 189 LYS A CE 866 N NZ . LYS A 107 ? 0.3193 0.2872 0.3407 0.0010 0.0039 0.0099 189 LYS A NZ 867 N N . SER A 108 ? 0.1288 0.1086 0.1467 -0.0003 0.0035 0.0046 190 SER A N 868 C CA . SER A 108 ? 0.1247 0.1071 0.1414 0.0003 0.0033 0.0041 190 SER A CA 869 C C . SER A 108 ? 0.1562 0.1407 0.1718 -0.0004 0.0032 0.0047 190 SER A C 870 O O . SER A 108 ? 0.1370 0.1212 0.1528 -0.0012 0.0034 0.0058 190 SER A O 871 C CB . SER A 108 ? 0.1792 0.1622 0.1960 0.0018 0.0032 0.0051 190 SER A CB 872 O OG . SER A 108 ? 0.2055 0.1869 0.2233 0.0027 0.0033 0.0044 190 SER A OG 873 N N . ARG A 109 ? 0.1424 0.1290 0.1570 -0.0001 0.0030 0.0041 191 ARG A N 874 C CA . ARG A 109 ? 0.1217 0.1102 0.1351 -0.0006 0.0030 0.0044 191 ARG A CA 875 C C . ARG A 109 ? 0.1250 0.1150 0.1378 0.0001 0.0029 0.0058 191 ARG A C 876 O O . ARG A 109 ? 0.1256 0.1161 0.1383 0.0010 0.0027 0.0058 191 ARG A O 877 C CB . ARG A 109 ? 0.0979 0.0876 0.1105 -0.0009 0.0029 0.0029 191 ARG A CB 878 C CG . ARG A 109 ? 0.1011 0.0926 0.1125 -0.0012 0.0028 0.0031 191 ARG A CG 879 C CD . ARG A 109 ? 0.1129 0.1050 0.1238 -0.0017 0.0028 0.0018 191 ARG A CD 880 N NE . ARG A 109 ? 0.1074 0.0987 0.1189 -0.0025 0.0028 0.0014 191 ARG A NE 881 C CZ . ARG A 109 ? 0.1169 0.1088 0.1284 -0.0032 0.0029 0.0018 191 ARG A CZ 882 N NH1 . ARG A 109 ? 0.1012 0.0943 0.1121 -0.0029 0.0030 0.0027 191 ARG A NH1 883 N NH2 . ARG A 109 ? 0.1053 0.0967 0.1174 -0.0040 0.0029 0.0014 191 ARG A NH2 884 N N . MET A 110 ? 0.0889 0.0798 0.1011 -0.0003 0.0031 0.0068 192 MET A N 885 C CA . MET A 110 ? 0.1051 0.0979 0.1163 0.0002 0.0030 0.0077 192 MET A CA 886 C C . MET A 110 ? 0.0986 0.0931 0.1086 -0.0001 0.0029 0.0068 192 MET A C 887 O O . MET A 110 ? 0.1165 0.1110 0.1264 -0.0008 0.0031 0.0064 192 MET A O 888 C CB . MET A 110 ? 0.1032 0.0961 0.1145 0.0000 0.0032 0.0096 192 MET A CB 889 C CG . MET A 110 ? 0.1410 0.1363 0.1511 0.0005 0.0032 0.0105 192 MET A CG 890 S SD . MET A 110 ? 0.1316 0.1275 0.1416 0.0003 0.0036 0.0127 192 MET A SD 891 C CE . MET A 110 ? 0.1630 0.1592 0.1731 -0.0009 0.0040 0.0121 192 MET A CE 892 N N . SER A 111 ? 0.1178 0.1137 0.1268 0.0005 0.0027 0.0065 193 SER A N 893 C CA . SER A 111 ? 0.1168 0.1140 0.1246 0.0002 0.0027 0.0056 193 SER A CA 894 C C . SER A 111 ? 0.0996 0.0986 0.1064 0.0007 0.0026 0.0063 193 SER A C 895 O O . SER A 111 ? 0.1568 0.1563 0.1636 0.0013 0.0023 0.0069 193 SER A O 896 C CB . SER A 111 ? 0.1175 0.1146 0.1251 0.0002 0.0025 0.0041 193 SER A CB 897 O OG . SER A 111 ? 0.1347 0.1305 0.1431 -0.0003 0.0025 0.0034 193 SER A OG 898 N N . ILE A 112 ? 0.0944 0.0944 0.1002 0.0004 0.0028 0.0062 194 ILE A N 899 C CA . ILE A 112 ? 0.0780 0.0798 0.0825 0.0008 0.0028 0.0067 194 ILE A CA 900 C C . ILE A 112 ? 0.1252 0.1278 0.1286 0.0007 0.0027 0.0053 194 ILE A C 901 O O . ILE A 112 ? 0.1210 0.1230 0.1244 0.0003 0.0030 0.0047 194 ILE A O 902 C CB . ILE A 112 ? 0.1261 0.1286 0.1305 0.0007 0.0032 0.0081 194 ILE A CB 903 C CG1 . ILE A 112 ? 0.1321 0.1335 0.1377 0.0008 0.0032 0.0096 194 ILE A CG1 904 C CG2 . ILE A 112 ? 0.1320 0.1367 0.1349 0.0012 0.0031 0.0085 194 ILE A CG2 905 C CD1 . ILE A 112 ? 0.1212 0.1234 0.1268 0.0006 0.0037 0.0112 194 ILE A CD1 906 N N . CYS A 113 ? 0.0999 0.1035 0.1024 0.0009 0.0024 0.0049 195 CYS A N 907 C CA . CYS A 113 ? 0.1397 0.1439 0.1412 0.0007 0.0023 0.0035 195 CYS A CA 908 C C . CYS A 113 ? 0.1197 0.1257 0.1197 0.0010 0.0022 0.0037 195 CYS A C 909 O O . CYS A 113 ? 0.1224 0.1296 0.1224 0.0013 0.0019 0.0045 195 CYS A O 910 C CB . CYS A 113 ? 0.1348 0.1385 0.1365 0.0005 0.0019 0.0025 195 CYS A CB 911 S SG . CYS A 113 ? 0.1998 0.2016 0.2026 0.0001 0.0020 0.0018 195 CYS A SG 912 N N . ILE A 114 ? 0.1105 0.1170 0.1094 0.0009 0.0025 0.0030 196 ILE A N 913 C CA . ILE A 114 ? 0.1045 0.1129 0.1019 0.0011 0.0025 0.0027 196 ILE A CA 914 C C . ILE A 114 ? 0.1012 0.1095 0.0977 0.0007 0.0021 0.0010 196 ILE A C 915 O O . ILE A 114 ? 0.1219 0.1287 0.1186 0.0005 0.0023 -0.0001 196 ILE A O 916 C CB . ILE A 114 ? 0.0717 0.0808 0.0683 0.0013 0.0031 0.0030 196 ILE A CB 917 C CG1 . ILE A 114 ? 0.1076 0.1170 0.1051 0.0014 0.0034 0.0049 196 ILE A CG1 918 C CG2 . ILE A 114 ? 0.0923 0.1034 0.0870 0.0014 0.0031 0.0025 196 ILE A CG2 919 C CD1 . ILE A 114 ? 0.1201 0.1300 0.1174 0.0015 0.0042 0.0053 196 ILE A CD1 920 N N . SER A 115 ? 0.0956 0.1055 0.0912 0.0007 0.0017 0.0007 197 SER A N 921 C CA . SER A 115 ? 0.1190 0.1290 0.1137 0.0002 0.0013 -0.0010 197 SER A CA 922 C C . SER A 115 ? 0.1742 0.1863 0.1671 0.0003 0.0011 -0.0014 197 SER A C 923 O O . SER A 115 ? 0.1326 0.1465 0.1251 0.0007 0.0012 -0.0001 197 SER A O 924 C CB . SER A 115 ? 0.1336 0.1432 0.1292 -0.0002 0.0007 -0.0013 197 SER A CB 925 O OG . SER A 115 ? 0.0978 0.1096 0.0933 0.0000 0.0002 -0.0006 197 SER A OG 926 N N . GLY A 116 ? 0.1195 0.1317 0.1115 -0.0003 0.0009 -0.0031 198 GLY A N 927 C CA . GLY A 116 ? 0.1300 0.1444 0.1202 -0.0004 0.0006 -0.0038 198 GLY A CA 928 C C . GLY A 116 ? 0.1032 0.1168 0.0921 -0.0005 0.0011 -0.0055 198 GLY A C 929 O O . GLY A 116 ? 0.1212 0.1326 0.1105 -0.0003 0.0017 -0.0059 198 GLY A O 930 N N . PRO A 117 ? 0.1150 0.1304 0.1021 -0.0007 0.0009 -0.0065 199 PRO A N 931 C CA . PRO A 117 ? 0.1169 0.1318 0.1026 -0.0006 0.0014 -0.0083 199 PRO A CA 932 C C . PRO A 117 ? 0.1331 0.1488 0.1183 0.0003 0.0022 -0.0073 199 PRO A C 933 O O . PRO A 117 ? 0.1333 0.1504 0.1191 0.0007 0.0022 -0.0053 199 PRO A O 934 C CB . PRO A 117 ? 0.1444 0.1616 0.1283 -0.0012 0.0008 -0.0095 199 PRO A CB 935 C CG . PRO A 117 ? 0.1245 0.1445 0.1086 -0.0010 0.0002 -0.0076 199 PRO A CG 936 C CD . PRO A 117 ? 0.1228 0.1412 0.1092 -0.0008 0.0001 -0.0060 199 PRO A CD 937 N N . ASN A 118 ? 0.1333 0.1483 0.1175 0.0006 0.0029 -0.0086 200 ASN A N 938 C CA . ASN A 118 ? 0.1108 0.1267 0.0947 0.0014 0.0038 -0.0078 200 ASN A CA 939 C C . ASN A 118 ? 0.1063 0.1256 0.0891 0.0017 0.0038 -0.0065 200 ASN A C 940 O O . ASN A 118 ? 0.1416 0.1618 0.1249 0.0022 0.0043 -0.0047 200 ASN A O 941 C CB . ASN A 118 ? 0.1397 0.1546 0.1225 0.0018 0.0046 -0.0097 200 ASN A CB 942 C CG . ASN A 118 ? 0.2128 0.2243 0.1970 0.0018 0.0048 -0.0106 200 ASN A CG 943 O OD1 . ASN A 118 ? 0.1811 0.1911 0.1669 0.0015 0.0044 -0.0096 200 ASN A OD1 944 N ND2 . ASN A 118 ? 0.2089 0.2191 0.1923 0.0021 0.0053 -0.0125 200 ASN A ND2 945 N N . ASN A 119 ? 0.1443 0.1656 0.1256 0.0013 0.0031 -0.0072 201 ASN A N 946 C CA . ASN A 119 ? 0.1341 0.1589 0.1139 0.0016 0.0031 -0.0060 201 ASN A CA 947 C C . ASN A 119 ? 0.1505 0.1768 0.1312 0.0014 0.0023 -0.0039 201 ASN A C 948 O O . ASN A 119 ? 0.1546 0.1840 0.1342 0.0016 0.0020 -0.0028 201 ASN A O 949 C CB . ASN A 119 ? 0.1695 0.1963 0.1469 0.0014 0.0029 -0.0081 201 ASN A CB 950 C CG . ASN A 119 ? 0.2349 0.2615 0.2119 0.0004 0.0019 -0.0095 201 ASN A CG 951 O OD1 . ASN A 119 ? 0.1713 0.1967 0.1500 0.0000 0.0012 -0.0088 201 ASN A OD1 952 N ND2 . ASN A 119 ? 0.1786 0.2067 0.1535 0.0000 0.0017 -0.0116 201 ASN A ND2 953 N N . ASN A 120 ? 0.1389 0.1631 0.1216 0.0012 0.0018 -0.0033 202 ASN A N 954 C CA . ASN A 120 ? 0.1122 0.1377 0.0958 0.0012 0.0011 -0.0016 202 ASN A CA 955 C C . ASN A 120 ? 0.1464 0.1693 0.1324 0.0012 0.0010 -0.0005 202 ASN A C 956 O O . ASN A 120 ? 0.1246 0.1474 0.1116 0.0010 0.0003 -0.0002 202 ASN A O 957 C CB . ASN A 120 ? 0.1101 0.1370 0.0929 0.0005 0.0001 -0.0029 202 ASN A CB 958 C CG . ASN A 120 ? 0.1255 0.1563 0.1071 0.0007 -0.0005 -0.0016 202 ASN A CG 959 O OD1 . ASN A 120 ? 0.1263 0.1583 0.1080 0.0014 -0.0003 0.0006 202 ASN A OD1 960 N ND2 . ASN A 120 ? 0.1864 0.2190 0.1668 0.0001 -0.0013 -0.0030 202 ASN A ND2 961 N N . ALA A 121 ? 0.1054 0.1263 0.0923 0.0015 0.0018 -0.0001 203 ALA A N 962 C CA . ALA A 121 ? 0.0826 0.1011 0.0717 0.0014 0.0018 0.0007 203 ALA A CA 963 C C . ALA A 121 ? 0.1362 0.1553 0.1264 0.0018 0.0017 0.0031 203 ALA A C 964 O O . ALA A 121 ? 0.1168 0.1380 0.1063 0.0022 0.0018 0.0045 203 ALA A O 965 C CB . ALA A 121 ? 0.1088 0.1252 0.0985 0.0015 0.0026 0.0002 203 ALA A CB 966 N N . SER A 122 ? 0.1124 0.1297 0.1045 0.0017 0.0015 0.0036 204 SER A N 967 C CA . SER A 122 ? 0.1383 0.1556 0.1316 0.0021 0.0014 0.0057 204 SER A CA 968 C C . SER A 122 ? 0.1135 0.1281 0.1088 0.0020 0.0016 0.0059 204 SER A C 969 O O . SER A 122 ? 0.1214 0.1344 0.1171 0.0017 0.0015 0.0045 204 SER A O 970 C CB . SER A 122 ? 0.1430 0.1620 0.1364 0.0023 0.0005 0.0063 204 SER A CB 971 O OG . SER A 122 ? 0.1547 0.1729 0.1487 0.0020 0.0000 0.0048 204 SER A OG 972 N N . ALA A 123 ? 0.1161 0.1301 0.1124 0.0023 0.0019 0.0076 205 ALA A N 973 C CA . ALA A 123 ? 0.0925 0.1040 0.0907 0.0022 0.0020 0.0078 205 ALA A CA 974 C C . ALA A 123 ? 0.1290 0.1401 0.1283 0.0025 0.0015 0.0087 205 ALA A C 975 O O . ALA A 123 ? 0.1490 0.1615 0.1482 0.0030 0.0013 0.0101 205 ALA A O 976 C CB . ALA A 123 ? 0.1001 0.1110 0.0988 0.0021 0.0027 0.0091 205 ALA A CB 977 N N . VAL A 124 ? 0.1143 0.1237 0.1148 0.0023 0.0014 0.0078 206 VAL A N 978 C CA . VAL A 124 ? 0.1069 0.1156 0.1088 0.0028 0.0011 0.0085 206 VAL A CA 979 C C . VAL A 124 ? 0.1183 0.1245 0.1216 0.0026 0.0015 0.0088 206 VAL A C 980 O O . VAL A 124 ? 0.1112 0.1161 0.1147 0.0021 0.0017 0.0077 206 VAL A O 981 C CB . VAL A 124 ? 0.1463 0.1554 0.1485 0.0027 0.0006 0.0072 206 VAL A CB 982 C CG1 . VAL A 124 ? 0.1244 0.1330 0.1281 0.0034 0.0003 0.0080 206 VAL A CG1 983 C CG2 . VAL A 124 ? 0.1205 0.1320 0.1212 0.0027 0.0001 0.0067 206 VAL A CG2 984 N N . VAL A 125 ? 0.1029 0.1085 0.1072 0.0031 0.0015 0.0104 207 VAL A N 985 C CA . VAL A 125 ? 0.1083 0.1114 0.1140 0.0028 0.0019 0.0107 207 VAL A CA 986 C C . VAL A 125 ? 0.1307 0.1325 0.1378 0.0032 0.0017 0.0103 207 VAL A C 987 O O . VAL A 125 ? 0.1636 0.1658 0.1713 0.0040 0.0014 0.0113 207 VAL A O 988 C CB . VAL A 125 ? 0.1032 0.1061 0.1094 0.0029 0.0022 0.0128 207 VAL A CB 989 C CG1 . VAL A 125 ? 0.1137 0.1140 0.1213 0.0024 0.0026 0.0129 207 VAL A CG1 990 C CG2 . VAL A 125 ? 0.1268 0.1315 0.1315 0.0026 0.0025 0.0133 207 VAL A CG2 991 N N . TRP A 126 ? 0.1035 0.1038 0.1111 0.0027 0.0018 0.0088 208 TRP A N 992 C CA . TRP A 126 ? 0.1214 0.1206 0.1302 0.0031 0.0017 0.0081 208 TRP A CA 993 C C . TRP A 126 ? 0.1455 0.1423 0.1556 0.0029 0.0020 0.0085 208 TRP A C 994 O O . TRP A 126 ? 0.1082 0.1042 0.1182 0.0021 0.0023 0.0085 208 TRP A O 995 C CB . TRP A 126 ? 0.1171 0.1164 0.1255 0.0026 0.0016 0.0063 208 TRP A CB 996 C CG . TRP A 126 ? 0.1421 0.1435 0.1495 0.0026 0.0013 0.0057 208 TRP A CG 997 C CD1 . TRP A 126 ? 0.1107 0.1136 0.1167 0.0024 0.0012 0.0057 208 TRP A CD1 998 C CD2 . TRP A 126 ? 0.1267 0.1291 0.1344 0.0028 0.0009 0.0049 208 TRP A CD2 999 N NE1 . TRP A 126 ? 0.1166 0.1210 0.1220 0.0023 0.0008 0.0049 208 TRP A NE1 1000 C CE2 . TRP A 126 ? 0.1294 0.1337 0.1359 0.0026 0.0006 0.0044 208 TRP A CE2 1001 C CE3 . TRP A 126 ? 0.1203 0.1221 0.1291 0.0032 0.0009 0.0043 208 TRP A CE3 1002 C CZ2 . TRP A 126 ? 0.1787 0.1844 0.1852 0.0026 0.0003 0.0037 208 TRP A CZ2 1003 C CZ3 . TRP A 126 ? 0.1440 0.1475 0.1529 0.0033 0.0006 0.0036 208 TRP A CZ3 1004 C CH2 . TRP A 126 ? 0.1272 0.1326 0.1349 0.0029 0.0003 0.0033 208 TRP A CH2 1005 N N . TYR A 127 ? 0.1061 0.1017 0.1174 0.0036 0.0020 0.0088 209 TYR A N 1006 C CA . TYR A 127 ? 0.1149 0.1078 0.1275 0.0034 0.0023 0.0088 209 TYR A CA 1007 C C . TYR A 127 ? 0.1114 0.1034 0.1250 0.0040 0.0022 0.0077 209 TYR A C 1008 O O . TYR A 127 ? 0.1088 0.1017 0.1227 0.0050 0.0020 0.0080 209 TYR A O 1009 C CB . TYR A 127 ? 0.1363 0.1282 0.1496 0.0037 0.0024 0.0108 209 TYR A CB 1010 C CG . TYR A 127 ? 0.1098 0.0988 0.1244 0.0033 0.0027 0.0108 209 TYR A CG 1011 C CD1 . TYR A 127 ? 0.1176 0.1059 0.1321 0.0021 0.0030 0.0105 209 TYR A CD1 1012 C CD2 . TYR A 127 ? 0.1474 0.1343 0.1634 0.0041 0.0028 0.0111 209 TYR A CD2 1013 C CE1 . TYR A 127 ? 0.1758 0.1614 0.1915 0.0014 0.0032 0.0104 209 TYR A CE1 1014 C CE2 . TYR A 127 ? 0.1016 0.0856 0.1188 0.0036 0.0031 0.0110 209 TYR A CE2 1015 C CZ . TYR A 127 ? 0.1483 0.1317 0.1653 0.0022 0.0033 0.0106 209 TYR A CZ 1016 O OH . TYR A 127 ? 0.1341 0.1147 0.1523 0.0015 0.0035 0.0103 209 TYR A OH 1017 N N . ASN A 128 ? 0.1362 0.1266 0.1502 0.0034 0.0025 0.0063 210 ASN A N 1018 C CA . ASN A 128 ? 0.1667 0.1563 0.1815 0.0039 0.0025 0.0050 210 ASN A CA 1019 C C . ASN A 128 ? 0.1497 0.1417 0.1639 0.0043 0.0022 0.0043 210 ASN A C 1020 O O . ASN A 128 ? 0.1380 0.1305 0.1529 0.0053 0.0022 0.0041 210 ASN A O 1021 C CB . ASN A 128 ? 0.1702 0.1581 0.1864 0.0049 0.0026 0.0058 210 ASN A CB 1022 C CG . ASN A 128 ? 0.2798 0.2664 0.2970 0.0054 0.0028 0.0042 210 ASN A CG 1023 O OD1 . ASN A 128 ? 0.2613 0.2477 0.2781 0.0046 0.0029 0.0026 210 ASN A OD1 1024 N ND2 . ASN A 128 ? 0.2822 0.2680 0.3005 0.0067 0.0029 0.0047 210 ASN A ND2 1025 N N . ARG A 129 ? 0.1343 0.1279 0.1472 0.0036 0.0021 0.0040 211 ARG A N 1026 C CA . ARG A 129 ? 0.1751 0.1709 0.1873 0.0036 0.0018 0.0032 211 ARG A CA 1027 C C . ARG A 129 ? 0.1574 0.1552 0.1696 0.0044 0.0015 0.0041 211 ARG A C 1028 O O . ARG A 129 ? 0.1328 0.1323 0.1448 0.0045 0.0013 0.0034 211 ARG A O 1029 C CB . ARG A 129 ? 0.1914 0.1870 0.2041 0.0035 0.0020 0.0016 211 ARG A CB 1030 C CG . ARG A 129 ? 0.3455 0.3392 0.3582 0.0027 0.0023 0.0008 211 ARG A CG 1031 C CD . ARG A 129 ? 0.3572 0.3516 0.3696 0.0023 0.0024 -0.0007 211 ARG A CD 1032 N NE . ARG A 129 ? 0.3893 0.3853 0.4006 0.0017 0.0022 -0.0009 211 ARG A NE 1033 C CZ . ARG A 129 ? 0.3665 0.3624 0.3769 0.0009 0.0021 -0.0009 211 ARG A CZ 1034 N NH1 . ARG A 129 ? 0.3291 0.3237 0.3397 0.0004 0.0023 -0.0007 211 ARG A NH1 1035 N NH2 . ARG A 129 ? 0.4129 0.4101 0.4224 0.0005 0.0020 -0.0010 211 ARG A NH2 1036 N N . ARG A 130 ? 0.0891 0.0868 0.1015 0.0050 0.0014 0.0057 212 ARG A N 1037 C CA . ARG A 130 ? 0.1051 0.1049 0.1174 0.0058 0.0010 0.0067 212 ARG A CA 1038 C C . ARG A 130 ? 0.1068 0.1075 0.1180 0.0055 0.0009 0.0080 212 ARG A C 1039 O O . ARG A 130 ? 0.1268 0.1259 0.1379 0.0051 0.0012 0.0087 212 ARG A O 1040 C CB . ARG A 130 ? 0.1074 0.1064 0.1212 0.0071 0.0010 0.0077 212 ARG A CB 1041 C CG . ARG A 130 ? 0.1246 0.1227 0.1396 0.0076 0.0012 0.0065 212 ARG A CG 1042 C CD . ARG A 130 ? 0.1683 0.1656 0.1849 0.0091 0.0013 0.0076 212 ARG A CD 1043 N NE . ARG A 130 ? 0.1531 0.1503 0.1709 0.0099 0.0015 0.0064 212 ARG A NE 1044 C CZ . ARG A 130 ? 0.2462 0.2408 0.2649 0.0100 0.0019 0.0055 212 ARG A CZ 1045 N NH1 . ARG A 130 ? 0.2904 0.2821 0.3091 0.0094 0.0022 0.0059 212 ARG A NH1 1046 N NH2 . ARG A 130 ? 0.1637 0.1585 0.1833 0.0107 0.0022 0.0043 212 ARG A NH2 1047 N N . PRO A 131 ? 0.1326 0.1358 0.1428 0.0056 0.0005 0.0082 213 PRO A N 1048 C CA . PRO A 131 ? 0.1245 0.1289 0.1336 0.0055 0.0004 0.0094 213 PRO A CA 1049 C C . PRO A 131 ? 0.1232 0.1273 0.1330 0.0064 0.0003 0.0115 213 PRO A C 1050 O O . PRO A 131 ? 0.1595 0.1642 0.1703 0.0074 0.0001 0.0121 213 PRO A O 1051 C CB . PRO A 131 ? 0.1403 0.1476 0.1484 0.0054 -0.0002 0.0089 213 PRO A CB 1052 C CG . PRO A 131 ? 0.1478 0.1558 0.1570 0.0060 -0.0004 0.0084 213 PRO A CG 1053 C CD . PRO A 131 ? 0.1205 0.1260 0.1308 0.0059 0.0000 0.0074 213 PRO A CD 1054 N N . VAL A 132 ? 0.0965 0.0999 0.1059 0.0060 0.0006 0.0126 214 VAL A N 1055 C CA . VAL A 132 ? 0.1208 0.1234 0.1308 0.0067 0.0007 0.0147 214 VAL A CA 1056 C C . VAL A 132 ? 0.1726 0.1773 0.1813 0.0067 0.0006 0.0163 214 VAL A C 1057 O O . VAL A 132 ? 0.1759 0.1818 0.1849 0.0076 0.0003 0.0181 214 VAL A O 1058 C CB . VAL A 132 ? 0.1788 0.1782 0.1899 0.0063 0.0013 0.0150 214 VAL A CB 1059 C CG1 . VAL A 132 ? 0.2451 0.2437 0.2567 0.0067 0.0014 0.0174 214 VAL A CG1 1060 C CG2 . VAL A 132 ? 0.1595 0.1568 0.1722 0.0066 0.0014 0.0138 214 VAL A CG2 1061 N N . ALA A 133 ? 0.1262 0.1317 0.1335 0.0058 0.0008 0.0157 215 ALA A N 1062 C CA . ALA A 133 ? 0.1302 0.1379 0.1360 0.0057 0.0008 0.0170 215 ALA A CA 1063 C C . ALA A 133 ? 0.1187 0.1283 0.1228 0.0050 0.0008 0.0154 215 ALA A C 1064 O O . ALA A 133 ? 0.1087 0.1172 0.1128 0.0044 0.0010 0.0135 215 ALA A O 1065 C CB . ALA A 133 ? 0.1275 0.1338 0.1337 0.0054 0.0014 0.0186 215 ALA A CB 1066 N N . GLU A 134 ? 0.0996 0.1118 0.1021 0.0051 0.0006 0.0161 216 GLU A N 1067 C CA . GLU A 134 ? 0.1354 0.1493 0.1361 0.0046 0.0006 0.0144 216 GLU A CA 1068 C C . GLU A 134 ? 0.1601 0.1756 0.1594 0.0044 0.0010 0.0155 216 GLU A C 1069 O O . GLU A 134 ? 0.1750 0.1916 0.1743 0.0049 0.0010 0.0176 216 GLU A O 1070 C CB . GLU A 134 ? 0.1231 0.1393 0.1231 0.0048 -0.0001 0.0135 216 GLU A CB 1071 C CG . GLU A 134 ? 0.1614 0.1767 0.1629 0.0051 -0.0005 0.0128 216 GLU A CG 1072 C CD . GLU A 134 ? 0.2040 0.2190 0.2070 0.0061 -0.0007 0.0147 216 GLU A CD 1073 O OE1 . GLU A 134 ? 0.1994 0.2166 0.2020 0.0067 -0.0011 0.0164 216 GLU A OE1 1074 O OE2 . GLU A 134 ? 0.1860 0.1986 0.1906 0.0063 -0.0006 0.0145 216 GLU A OE2 1075 N N . ILE A 135 ? 0.1015 0.1173 0.0997 0.0038 0.0014 0.0141 217 ILE A N 1076 C CA . ILE A 135 ? 0.1086 0.1261 0.1053 0.0037 0.0019 0.0148 217 ILE A CA 1077 C C . ILE A 135 ? 0.1609 0.1803 0.1556 0.0034 0.0018 0.0129 217 ILE A C 1078 O O . ILE A 135 ? 0.1289 0.1471 0.1236 0.0030 0.0019 0.0109 217 ILE A O 1079 C CB . ILE A 135 ? 0.1418 0.1577 0.1393 0.0032 0.0027 0.0151 217 ILE A CB 1080 C CG1 . ILE A 135 ? 0.1412 0.1548 0.1408 0.0033 0.0028 0.0167 217 ILE A CG1 1081 C CG2 . ILE A 135 ? 0.1376 0.1558 0.1337 0.0032 0.0032 0.0161 217 ILE A CG2 1082 C CD1 . ILE A 135 ? 0.1605 0.1720 0.1611 0.0026 0.0034 0.0164 217 ILE A CD1 1083 N N . ASN A 136 ? 0.1305 0.1529 0.1236 0.0037 0.0016 0.0136 218 ASN A N 1084 C CA . ASN A 136 ? 0.1475 0.1718 0.1386 0.0034 0.0015 0.0117 218 ASN A CA 1085 C C . ASN A 136 ? 0.1227 0.1474 0.1128 0.0033 0.0024 0.0112 218 ASN A C 1086 O O . ASN A 136 ? 0.1437 0.1685 0.1341 0.0034 0.0030 0.0129 218 ASN A O 1087 C CB . ASN A 136 ? 0.1362 0.1639 0.1258 0.0037 0.0008 0.0124 218 ASN A CB 1088 C CG . ASN A 136 ? 0.1661 0.1952 0.1540 0.0033 0.0004 0.0099 218 ASN A CG 1089 O OD1 . ASN A 136 ? 0.1493 0.1767 0.1377 0.0029 0.0002 0.0081 218 ASN A OD1 1090 N ND2 . ASN A 136 ? 0.1600 0.1923 0.1458 0.0034 0.0004 0.0099 218 ASN A ND2 1091 N N . THR A 137 ? 0.1029 0.1276 0.0917 0.0030 0.0025 0.0089 219 THR A N 1092 C CA . THR A 137 ? 0.1281 0.1536 0.1158 0.0030 0.0033 0.0081 219 THR A CA 1093 C C . THR A 137 ? 0.1471 0.1756 0.1334 0.0033 0.0037 0.0099 219 THR A C 1094 O O . THR A 137 ? 0.1476 0.1785 0.1328 0.0034 0.0031 0.0106 219 THR A O 1095 C CB . THR A 137 ? 0.1536 0.1790 0.1398 0.0027 0.0033 0.0053 219 THR A CB 1096 O OG1 . THR A 137 ? 0.1403 0.1665 0.1255 0.0029 0.0042 0.0046 219 THR A OG1 1097 C CG2 . THR A 137 ? 0.1470 0.1747 0.1316 0.0026 0.0025 0.0046 219 THR A CG2 1098 N N . TRP A 138 ? 0.1430 0.1717 0.1295 0.0033 0.0046 0.0107 220 TRP A N 1099 C CA . TRP A 138 ? 0.1851 0.2169 0.1702 0.0036 0.0050 0.0124 220 TRP A CA 1100 C C . TRP A 138 ? 0.1787 0.2125 0.1618 0.0037 0.0058 0.0107 220 TRP A C 1101 O O . TRP A 138 ? 0.1784 0.2153 0.1600 0.0039 0.0060 0.0116 220 TRP A O 1102 C CB . TRP A 138 ? 0.1282 0.1595 0.1149 0.0035 0.0056 0.0150 220 TRP A CB 1103 C CG . TRP A 138 ? 0.1221 0.1510 0.1104 0.0032 0.0063 0.0145 220 TRP A CG 1104 C CD1 . TRP A 138 ? 0.1498 0.1797 0.1378 0.0032 0.0072 0.0140 220 TRP A CD1 1105 C CD2 . TRP A 138 ? 0.1177 0.1434 0.1084 0.0029 0.0060 0.0145 220 TRP A CD2 1106 N NE1 . TRP A 138 ? 0.1468 0.1742 0.1368 0.0029 0.0076 0.0138 220 TRP A NE1 1107 C CE2 . TRP A 138 ? 0.1367 0.1615 0.1282 0.0027 0.0068 0.0140 220 TRP A CE2 1108 C CE3 . TRP A 138 ? 0.1609 0.1844 0.1529 0.0028 0.0053 0.0148 220 TRP A CE3 1109 C CZ2 . TRP A 138 ? 0.1166 0.1385 0.1102 0.0023 0.0068 0.0139 220 TRP A CZ2 1110 C CZ3 . TRP A 138 ? 0.1290 0.1495 0.1229 0.0025 0.0053 0.0146 220 TRP A CZ3 1111 C CH2 . TRP A 138 ? 0.1104 0.1302 0.1051 0.0022 0.0060 0.0141 220 TRP A CH2 1112 N N . ALA A 139 ? 0.1175 0.1495 0.1008 0.0036 0.0060 0.0084 221 ALA A N 1113 C CA . ALA A 139 ? 0.1434 0.1769 0.1249 0.0039 0.0068 0.0066 221 ALA A CA 1114 C C . ALA A 139 ? 0.1669 0.1995 0.1473 0.0038 0.0063 0.0036 221 ALA A C 1115 O O . ALA A 139 ? 0.1624 0.1957 0.1413 0.0041 0.0069 0.0017 221 ALA A O 1116 C CB . ALA A 139 ? 0.1391 0.1716 0.1218 0.0041 0.0078 0.0066 221 ALA A CB 1117 N N . ARG A 140 ? 0.1170 0.1478 0.0982 0.0035 0.0054 0.0031 222 ARG A N 1118 C CA . ARG A 140 ? 0.1260 0.1560 0.1062 0.0032 0.0048 0.0005 222 ARG A CA 1119 C C . ARG A 140 ? 0.1716 0.1994 0.1519 0.0033 0.0055 -0.0017 222 ARG A C 1120 O O . ARG A 140 ? 0.1466 0.1744 0.1254 0.0032 0.0055 -0.0040 222 ARG A O 1121 C CB . ARG A 140 ? 0.1520 0.1852 0.1297 0.0031 0.0045 -0.0002 222 ARG A CB 1122 C CG . ARG A 140 ? 0.2046 0.2399 0.1823 0.0030 0.0035 0.0017 222 ARG A CG 1123 C CD . ARG A 140 ? 0.3674 0.4063 0.3433 0.0031 0.0035 0.0023 222 ARG A CD 1124 N NE . ARG A 140 ? 0.6779 0.7177 0.6543 0.0036 0.0042 0.0046 222 ARG A NE 1125 C CZ . ARG A 140 ? 0.5775 0.6182 0.5532 0.0038 0.0051 0.0040 222 ARG A CZ 1126 N NH1 . ARG A 140 ? 0.6324 0.6730 0.6068 0.0038 0.0053 0.0013 222 ARG A NH1 1127 N NH2 . ARG A 140 ? 0.4447 0.4864 0.4211 0.0041 0.0057 0.0062 222 ARG A NH2 1128 N N . ASN A 141 ? 0.1577 0.1835 0.1399 0.0035 0.0060 -0.0009 223 ASN A N 1129 C CA . ASN A 141 ? 0.1363 0.1600 0.1189 0.0037 0.0066 -0.0027 223 ASN A CA 1130 C C . ASN A 141 ? 0.1410 0.1618 0.1259 0.0036 0.0066 -0.0020 223 ASN A C 1131 O O . ASN A 141 ? 0.1319 0.1527 0.1179 0.0039 0.0073 -0.0010 223 ASN A O 1132 C CB . ASN A 141 ? 0.1514 0.1770 0.1329 0.0044 0.0077 -0.0029 223 ASN A CB 1133 C CG . ASN A 141 ? 0.2211 0.2448 0.2028 0.0049 0.0084 -0.0050 223 ASN A CG 1134 O OD1 . ASN A 141 ? 0.1784 0.1992 0.1610 0.0047 0.0080 -0.0062 223 ASN A OD1 1135 N ND2 . ASN A 141 ? 0.2307 0.2561 0.2115 0.0056 0.0094 -0.0055 223 ASN A ND2 1136 N N . ILE A 142 ? 0.1353 0.1541 0.1211 0.0031 0.0058 -0.0025 224 ILE A N 1137 C CA . ILE A 142 ? 0.1254 0.1416 0.1133 0.0029 0.0057 -0.0021 224 ILE A CA 1138 C C . ILE A 142 ? 0.1153 0.1317 0.1047 0.0029 0.0059 0.0003 224 ILE A C 1139 O O . ILE A 142 ? 0.1248 0.1407 0.1154 0.0031 0.0064 0.0008 224 ILE A O 1140 C CB . ILE A 142 ? 0.1254 0.1397 0.1136 0.0033 0.0063 -0.0035 224 ILE A CB 1141 C CG1 . ILE A 142 ? 0.1266 0.1406 0.1132 0.0033 0.0063 -0.0059 224 ILE A CG1 1142 C CG2 . ILE A 142 ? 0.1445 0.1562 0.1346 0.0029 0.0060 -0.0033 224 ILE A CG2 1143 C CD1 . ILE A 142 ? 0.1738 0.1858 0.1607 0.0038 0.0069 -0.0073 224 ILE A CD1 1144 N N . LEU A 143 ? 0.1272 0.1445 0.1168 0.0026 0.0053 0.0016 225 LEU A N 1145 C CA . LEU A 143 ? 0.1436 0.1605 0.1349 0.0025 0.0053 0.0037 225 LEU A CA 1146 C C . LEU A 143 ? 0.1262 0.1404 0.1192 0.0023 0.0053 0.0033 225 LEU A C 1147 O O . LEU A 143 ? 0.1193 0.1319 0.1124 0.0021 0.0048 0.0020 225 LEU A O 1148 C CB . LEU A 143 ? 0.1090 0.1264 0.1004 0.0024 0.0045 0.0048 225 LEU A CB 1149 C CG . LEU A 143 ? 0.1034 0.1198 0.0966 0.0023 0.0044 0.0068 225 LEU A CG 1150 C CD1 . LEU A 143 ? 0.1347 0.1523 0.1282 0.0023 0.0051 0.0085 225 LEU A CD1 1151 C CD2 . LEU A 143 ? 0.1434 0.1603 0.1367 0.0023 0.0036 0.0076 225 LEU A CD2 1152 N N . ARG A 144 ? 0.1171 0.1309 0.1114 0.0022 0.0058 0.0043 226 ARG A N 1153 C CA . ARG A 144 ? 0.1438 0.1555 0.1396 0.0020 0.0058 0.0038 226 ARG A CA 1154 C C . ARG A 144 ? 0.1269 0.1382 0.1243 0.0017 0.0060 0.0054 226 ARG A C 1155 O O . ARG A 144 ? 0.1177 0.1306 0.1152 0.0017 0.0064 0.0069 226 ARG A O 1156 C CB . ARG A 144 ? 0.0869 0.0984 0.0822 0.0024 0.0063 0.0024 226 ARG A CB 1157 C CG . ARG A 144 ? 0.1151 0.1287 0.1098 0.0029 0.0072 0.0028 226 ARG A CG 1158 C CD . ARG A 144 ? 0.1473 0.1609 0.1410 0.0035 0.0076 0.0010 226 ARG A CD 1159 N NE . ARG A 144 ? 0.1451 0.1608 0.1383 0.0040 0.0085 0.0013 226 ARG A NE 1160 C CZ . ARG A 144 ? 0.2035 0.2214 0.1950 0.0044 0.0089 0.0010 226 ARG A CZ 1161 N NH1 . ARG A 144 ? 0.1668 0.1851 0.1569 0.0042 0.0083 0.0005 226 ARG A NH1 1162 N NH2 . ARG A 144 ? 0.1447 0.1647 0.1359 0.0049 0.0098 0.0012 226 ARG A NH2 1163 N N . THR A 145 ? 0.1267 0.1362 0.1256 0.0014 0.0058 0.0052 227 THR A N 1164 C CA . THR A 145 ? 0.1013 0.1102 0.1017 0.0009 0.0059 0.0065 227 THR A CA 1165 C C . THR A 145 ? 0.0976 0.1056 0.0992 0.0007 0.0061 0.0059 227 THR A C 1166 O O . THR A 145 ? 0.1279 0.1362 0.1291 0.0011 0.0064 0.0049 227 THR A O 1167 C CB . THR A 145 ? 0.1098 0.1176 0.1110 0.0007 0.0053 0.0072 227 THR A CB 1168 O OG1 . THR A 145 ? 0.1167 0.1240 0.1193 0.0002 0.0055 0.0086 227 THR A OG1 1169 C CG2 . THR A 145 ? 0.0992 0.1052 0.1006 0.0006 0.0048 0.0060 227 THR A CG2 1170 N N . GLN A 146 ? 0.0942 0.1012 0.0973 0.0001 0.0059 0.0066 228 GLN A N 1171 C CA . GLN A 146 ? 0.1150 0.1219 0.1194 -0.0002 0.0061 0.0066 228 GLN A CA 1172 C C . GLN A 146 ? 0.1062 0.1120 0.1105 0.0000 0.0059 0.0052 228 GLN A C 1173 O O . GLN A 146 ? 0.1163 0.1230 0.1211 0.0002 0.0063 0.0050 228 GLN A O 1174 C CB . GLN A 146 ? 0.0904 0.0964 0.0962 -0.0010 0.0060 0.0076 228 GLN A CB 1175 C CG . GLN A 146 ? 0.1109 0.1179 0.1169 -0.0012 0.0063 0.0092 228 GLN A CG 1176 C CD . GLN A 146 ? 0.1546 0.1605 0.1622 -0.0021 0.0062 0.0102 228 GLN A CD 1177 O OE1 . GLN A 146 ? 0.1650 0.1713 0.1728 -0.0023 0.0064 0.0117 228 GLN A OE1 1178 N NE2 . GLN A 146 ? 0.1280 0.1325 0.1365 -0.0026 0.0058 0.0095 228 GLN A NE2 1179 N N . GLU A 147 ? 0.1183 0.1227 0.1224 -0.0001 0.0054 0.0044 229 GLU A N 1180 C CA . GLU A 147 ? 0.0855 0.0888 0.0897 -0.0001 0.0051 0.0033 229 GLU A CA 1181 C C . GLU A 147 ? 0.1012 0.1041 0.1069 -0.0007 0.0050 0.0036 229 GLU A C 1182 O O . GLU A 147 ? 0.1099 0.1124 0.1159 -0.0006 0.0049 0.0030 229 GLU A O 1183 C CB . GLU A 147 ? 0.1078 0.1115 0.1113 0.0006 0.0054 0.0024 229 GLU A CB 1184 C CG . GLU A 147 ? 0.1374 0.1419 0.1395 0.0011 0.0057 0.0021 229 GLU A CG 1185 C CD . GLU A 147 ? 0.1830 0.1868 0.1840 0.0010 0.0053 0.0016 229 GLU A CD 1186 O OE1 . GLU A 147 ? 0.1445 0.1473 0.1461 0.0006 0.0048 0.0015 229 GLU A OE1 1187 O OE2 . GLU A 147 ? 0.1755 0.1802 0.1753 0.0014 0.0054 0.0012 229 GLU A OE2 1188 N N . SER A 148 ? 0.1058 0.1087 0.1123 -0.0012 0.0050 0.0045 230 SER A N 1189 C CA . SER A 148 ? 0.1004 0.1027 0.1082 -0.0019 0.0047 0.0046 230 SER A CA 1190 C C . SER A 148 ? 0.1269 0.1284 0.1353 -0.0024 0.0046 0.0053 230 SER A C 1191 O O . SER A 148 ? 0.1440 0.1456 0.1519 -0.0021 0.0047 0.0059 230 SER A O 1192 C CB . SER A 148 ? 0.0854 0.0889 0.0941 -0.0022 0.0050 0.0049 230 SER A CB 1193 O OG . SER A 148 ? 0.1142 0.1191 0.1233 -0.0023 0.0055 0.0060 230 SER A OG 1194 N N . GLU A 149 ? 0.0841 0.0848 0.0937 -0.0032 0.0044 0.0053 231 GLU A N 1195 C CA . GLU A 149 ? 0.1194 0.1188 0.1296 -0.0036 0.0043 0.0058 231 GLU A CA 1196 C C . GLU A 149 ? 0.1335 0.1334 0.1441 -0.0038 0.0046 0.0072 231 GLU A C 1197 O O . GLU A 149 ? 0.1236 0.1250 0.1346 -0.0041 0.0050 0.0079 231 GLU A O 1198 C CB . GLU A 149 ? 0.0983 0.0965 0.1095 -0.0043 0.0040 0.0051 231 GLU A CB 1199 C CG . GLU A 149 ? 0.1233 0.1221 0.1357 -0.0053 0.0041 0.0056 231 GLU A CG 1200 C CD . GLU A 149 ? 0.1610 0.1583 0.1743 -0.0062 0.0037 0.0049 231 GLU A CD 1201 O OE1 . GLU A 149 ? 0.1263 0.1222 0.1392 -0.0059 0.0035 0.0040 231 GLU A OE1 1202 O OE2 . GLU A 149 ? 0.1189 0.1164 0.1333 -0.0072 0.0038 0.0052 231 GLU A OE2 1203 N N . CYS A 150 ? 0.1055 0.1043 0.1162 -0.0036 0.0046 0.0079 232 CYS A N 1204 C CA . CYS A 150 ? 0.1349 0.1338 0.1462 -0.0040 0.0049 0.0095 232 CYS A CA 1205 C C . CYS A 150 ? 0.1552 0.1524 0.1680 -0.0050 0.0048 0.0095 232 CYS A C 1206 O O . CYS A 150 ? 0.1375 0.1339 0.1507 -0.0054 0.0045 0.0083 232 CYS A O 1207 C CB . CYS A 150 ? 0.1438 0.1424 0.1544 -0.0033 0.0048 0.0103 232 CYS A CB 1208 S SG . CYS A 150 ? 0.1509 0.1479 0.1613 -0.0026 0.0043 0.0092 232 CYS A SG 1209 N N . VAL A 151 ? 0.1481 0.1448 0.1618 -0.0056 0.0050 0.0110 233 VAL A N 1210 C CA . VAL A 151 ? 0.1022 0.0972 0.1174 -0.0067 0.0049 0.0110 233 VAL A CA 1211 C C . VAL A 151 ? 0.1441 0.1373 0.1599 -0.0067 0.0050 0.0124 233 VAL A C 1212 O O . VAL A 151 ? 0.1522 0.1464 0.1675 -0.0062 0.0053 0.0139 233 VAL A O 1213 C CB . VAL A 151 ? 0.1560 0.1526 0.1722 -0.0078 0.0052 0.0116 233 VAL A CB 1214 C CG1 . VAL A 151 ? 0.1764 0.1712 0.1941 -0.0092 0.0050 0.0112 233 VAL A CG1 1215 C CG2 . VAL A 151 ? 0.2071 0.2059 0.2228 -0.0076 0.0052 0.0106 233 VAL A CG2 1216 N N . CYS A 152 ? 0.1027 0.0934 0.1196 -0.0072 0.0048 0.0119 234 CYS A N 1217 C CA . CYS A 152 ? 0.1055 0.0941 0.1227 -0.0069 0.0048 0.0129 234 CYS A CA 1218 C C . CYS A 152 ? 0.1531 0.1403 0.1710 -0.0080 0.0047 0.0129 234 CYS A C 1219 O O . CYS A 152 ? 0.1458 0.1327 0.1641 -0.0089 0.0046 0.0116 234 CYS A O 1220 C CB . CYS A 152 ? 0.1393 0.1260 0.1565 -0.0059 0.0045 0.0120 234 CYS A CB 1221 S SG . CYS A 152 ? 0.1469 0.1355 0.1625 -0.0045 0.0043 0.0113 234 CYS A SG 1222 N N . HIS A 153 ? 0.1315 0.1179 0.1496 -0.0079 0.0049 0.0145 235 HIS A N 1223 C CA . HIS A 153 ? 0.1521 0.1366 0.1709 -0.0089 0.0049 0.0145 235 HIS A CA 1224 C C . HIS A 153 ? 0.1340 0.1162 0.1531 -0.0081 0.0048 0.0155 235 HIS A C 1225 O O . HIS A 153 ? 0.1403 0.1233 0.1590 -0.0074 0.0050 0.0172 235 HIS A O 1226 C CB . HIS A 153 ? 0.1247 0.1109 0.1438 -0.0100 0.0052 0.0158 235 HIS A CB 1227 C CG . HIS A 153 ? 0.1701 0.1542 0.1899 -0.0111 0.0052 0.0160 235 HIS A CG 1228 N ND1 . HIS A 153 ? 0.1985 0.1814 0.2188 -0.0123 0.0049 0.0144 235 HIS A ND1 1229 C CD2 . HIS A 153 ? 0.1666 0.1495 0.1867 -0.0113 0.0054 0.0176 235 HIS A CD2 1230 C CE1 . HIS A 153 ? 0.2165 0.1975 0.2373 -0.0132 0.0050 0.0150 235 HIS A CE1 1231 N NE2 . HIS A 153 ? 0.1986 0.1795 0.2194 -0.0126 0.0053 0.0169 235 HIS A NE2 1232 N N . ASN A 154 ? 0.1302 0.1095 0.1497 -0.0083 0.0046 0.0143 236 ASN A N 1233 C CA . ASN A 154 ? 0.1636 0.1405 0.1835 -0.0074 0.0045 0.0149 236 ASN A CA 1234 C C . ASN A 154 ? 0.1782 0.1560 0.1976 -0.0057 0.0045 0.0158 236 ASN A C 1235 O O . ASN A 154 ? 0.1562 0.1336 0.1757 -0.0050 0.0046 0.0175 236 ASN A O 1236 C CB . ASN A 154 ? 0.1840 0.1599 0.2043 -0.0082 0.0048 0.0166 236 ASN A CB 1237 C CG . ASN A 154 ? 0.2784 0.2512 0.2992 -0.0075 0.0047 0.0170 236 ASN A CG 1238 O OD1 . ASN A 154 ? 0.2223 0.1932 0.2432 -0.0069 0.0045 0.0155 236 ASN A OD1 1239 N ND2 . ASN A 154 ? 0.2756 0.2480 0.2966 -0.0075 0.0049 0.0190 236 ASN A ND2 1240 N N . GLY A 155 ? 0.1707 0.1498 0.1897 -0.0052 0.0044 0.0148 237 GLY A N 1241 C CA . GLY A 155 ? 0.1934 0.1734 0.2119 -0.0037 0.0044 0.0154 237 GLY A CA 1242 C C . GLY A 155 ? 0.1826 0.1656 0.2003 -0.0034 0.0045 0.0169 237 GLY A C 1243 O O . GLY A 155 ? 0.1706 0.1547 0.1877 -0.0023 0.0044 0.0172 237 GLY A O 1244 N N . VAL A 156 ? 0.1365 0.1207 0.1540 -0.0044 0.0048 0.0179 238 VAL A N 1245 C CA . VAL A 156 ? 0.1228 0.1100 0.1394 -0.0042 0.0050 0.0193 238 VAL A CA 1246 C C . VAL A 156 ? 0.1511 0.1402 0.1672 -0.0046 0.0052 0.0182 238 VAL A C 1247 O O . VAL A 156 ? 0.1433 0.1325 0.1599 -0.0057 0.0052 0.0173 238 VAL A O 1248 C CB . VAL A 156 ? 0.1694 0.1574 0.1860 -0.0049 0.0053 0.0210 238 VAL A CB 1249 C CG1 . VAL A 156 ? 0.1363 0.1277 0.1518 -0.0046 0.0056 0.0222 238 VAL A CG1 1250 C CG2 . VAL A 156 ? 0.1720 0.1581 0.1891 -0.0044 0.0052 0.0223 238 VAL A CG2 1251 N N . CYS A 157 ? 0.1143 0.1051 0.1294 -0.0038 0.0052 0.0182 239 CYS A N 1252 C CA . CYS A 157 ? 0.1524 0.1453 0.1666 -0.0039 0.0051 0.0165 239 CYS A CA 1253 C C . CYS A 157 ? 0.1197 0.1156 0.1325 -0.0035 0.0054 0.0174 239 CYS A C 1254 O O . CYS A 157 ? 0.1522 0.1492 0.1637 -0.0025 0.0052 0.0175 239 CYS A O 1255 C CB . CYS A 157 ? 0.1480 0.1404 0.1616 -0.0031 0.0047 0.0146 239 CYS A CB 1256 S SG . CYS A 157 ? 0.1458 0.1348 0.1608 -0.0031 0.0044 0.0135 239 CYS A SG 1257 N N . PRO A 158 ? 0.1253 0.1228 0.1382 -0.0043 0.0058 0.0179 240 PRO A N 1258 C CA . PRO A 158 ? 0.1194 0.1199 0.1309 -0.0038 0.0062 0.0185 240 PRO A CA 1259 C C . PRO A 158 ? 0.1155 0.1173 0.1258 -0.0033 0.0060 0.0165 240 PRO A C 1260 O O . PRO A 158 ? 0.1174 0.1184 0.1282 -0.0036 0.0059 0.0150 240 PRO A O 1261 C CB . PRO A 158 ? 0.1484 0.1501 0.1607 -0.0049 0.0068 0.0195 240 PRO A CB 1262 C CG . PRO A 158 ? 0.1705 0.1695 0.1846 -0.0059 0.0066 0.0198 240 PRO A CG 1263 C CD . PRO A 158 ? 0.1448 0.1415 0.1593 -0.0056 0.0061 0.0182 240 PRO A CD 1264 N N . VAL A 159 ? 0.1010 0.1049 0.1097 -0.0024 0.0061 0.0166 241 VAL A N 1265 C CA . VAL A 159 ? 0.0995 0.1045 0.1070 -0.0019 0.0060 0.0148 241 VAL A CA 1266 C C . VAL A 159 ? 0.1272 0.1351 0.1333 -0.0016 0.0066 0.0153 241 VAL A C 1267 O O . VAL A 159 ? 0.1226 0.1316 0.1280 -0.0013 0.0067 0.0167 241 VAL A O 1268 C CB . VAL A 159 ? 0.1092 0.1134 0.1158 -0.0011 0.0054 0.0138 241 VAL A CB 1269 C CG1 . VAL A 159 ? 0.1062 0.1115 0.1115 -0.0007 0.0054 0.0121 241 VAL A CG1 1270 C CG2 . VAL A 159 ? 0.1032 0.1049 0.1111 -0.0014 0.0050 0.0132 241 VAL A CG2 1271 N N . VAL A 160 ? 0.0842 0.0932 0.0899 -0.0015 0.0069 0.0142 242 VAL A N 1272 C CA . VAL A 160 ? 0.1219 0.1335 0.1263 -0.0010 0.0074 0.0143 242 VAL A CA 1273 C C . VAL A 160 ? 0.1667 0.1788 0.1693 -0.0002 0.0072 0.0127 242 VAL A C 1274 O O . VAL A 160 ? 0.1194 0.1303 0.1221 0.0000 0.0068 0.0111 242 VAL A O 1275 C CB . VAL A 160 ? 0.0730 0.0860 0.0781 -0.0013 0.0080 0.0141 242 VAL A CB 1276 C CG1 . VAL A 160 ? 0.1029 0.1188 0.1066 -0.0007 0.0087 0.0142 242 VAL A CG1 1277 C CG2 . VAL A 160 ? 0.1307 0.1434 0.1377 -0.0024 0.0082 0.0155 242 VAL A CG2 1278 N N . PHE A 161 ? 0.0974 0.1113 0.0985 0.0003 0.0073 0.0132 243 PHE A N 1279 C CA . PHE A 161 ? 0.1098 0.1244 0.1091 0.0010 0.0070 0.0117 243 PHE A CA 1280 C C . PHE A 161 ? 0.1635 0.1807 0.1614 0.0014 0.0078 0.0114 243 PHE A C 1281 O O . PHE A 161 ? 0.1787 0.1977 0.1767 0.0013 0.0083 0.0130 243 PHE A O 1282 C CB . PHE A 161 ? 0.1127 0.1276 0.1112 0.0012 0.0065 0.0123 243 PHE A CB 1283 C CG . PHE A 161 ? 0.1348 0.1473 0.1344 0.0011 0.0058 0.0123 243 PHE A CG 1284 C CD1 . PHE A 161 ? 0.1405 0.1518 0.1416 0.0007 0.0057 0.0139 243 PHE A CD1 1285 C CD2 . PHE A 161 ? 0.1225 0.1341 0.1216 0.0013 0.0052 0.0107 243 PHE A CD2 1286 C CE1 . PHE A 161 ? 0.1386 0.1478 0.1407 0.0007 0.0051 0.0138 243 PHE A CE1 1287 C CE2 . PHE A 161 ? 0.1181 0.1280 0.1183 0.0012 0.0046 0.0107 243 PHE A CE2 1288 C CZ . PHE A 161 ? 0.1552 0.1639 0.1569 0.0010 0.0046 0.0122 243 PHE A CZ 1289 N N . THR A 162 ? 0.1162 0.1336 0.1128 0.0019 0.0077 0.0095 244 THR A N 1290 C CA . THR A 162 ? 0.1082 0.1282 0.1032 0.0025 0.0084 0.0090 244 THR A CA 1291 C C . THR A 162 ? 0.1480 0.1683 0.1411 0.0028 0.0079 0.0076 244 THR A C 1292 O O . THR A 162 ? 0.1224 0.1407 0.1156 0.0027 0.0073 0.0063 244 THR A O 1293 C CB . THR A 162 ? 0.1153 0.1353 0.1107 0.0028 0.0090 0.0079 244 THR A CB 1294 O OG1 . THR A 162 ? 0.1216 0.1419 0.1189 0.0023 0.0094 0.0093 244 THR A OG1 1295 C CG2 . THR A 162 ? 0.1441 0.1666 0.1378 0.0035 0.0098 0.0071 244 THR A CG2 1296 N N . ASP A 163 ? 0.1218 0.1446 0.1131 0.0032 0.0082 0.0078 245 ASP A N 1297 C CA . ASP A 163 ? 0.1354 0.1589 0.1248 0.0034 0.0078 0.0062 245 ASP A CA 1298 C C . ASP A 163 ? 0.1321 0.1582 0.1197 0.0040 0.0086 0.0056 245 ASP A C 1299 O O . ASP A 163 ? 0.1456 0.1740 0.1330 0.0040 0.0093 0.0071 245 ASP A O 1300 C CB . ASP A 163 ? 0.1300 0.1544 0.1189 0.0032 0.0071 0.0076 245 ASP A CB 1301 C CG . ASP A 163 ? 0.1437 0.1683 0.1310 0.0033 0.0063 0.0059 245 ASP A CG 1302 O OD1 . ASP A 163 ? 0.1259 0.1503 0.1121 0.0034 0.0065 0.0038 245 ASP A OD1 1303 O OD2 . ASP A 163 ? 0.1614 0.1864 0.1487 0.0031 0.0056 0.0069 245 ASP A OD2 1304 N N . GLY A 164 ? 0.1206 0.1464 0.1070 0.0043 0.0087 0.0032 246 GLY A N 1305 C CA . GLY A 164 ? 0.1562 0.1842 0.1409 0.0049 0.0096 0.0021 246 GLY A CA 1306 C C . GLY A 164 ? 0.1950 0.2214 0.1801 0.0055 0.0101 0.0002 246 GLY A C 1307 O O . GLY A 164 ? 0.1592 0.1828 0.1456 0.0053 0.0097 -0.0005 246 GLY A O 1308 N N . SER A 165 ? 0.1541 0.1826 0.1382 0.0062 0.0111 -0.0005 247 SER A N 1309 C CA . SER A 165 ? 0.1329 0.1602 0.1173 0.0069 0.0118 -0.0024 247 SER A CA 1310 C C . SER A 165 ? 0.1526 0.1780 0.1395 0.0069 0.0119 -0.0017 247 SER A C 1311 O O . SER A 165 ? 0.1519 0.1782 0.1403 0.0066 0.0120 0.0004 247 SER A O 1312 C CB . SER A 165 ? 0.2110 0.2407 0.1942 0.0077 0.0127 -0.0030 247 SER A CB 1313 O OG . SER A 165 ? 0.1938 0.2220 0.1774 0.0085 0.0133 -0.0049 247 SER A OG 1314 N N . ALA A 166 ? 0.1508 0.1736 0.1381 0.0074 0.0119 -0.0034 248 ALA A N 1315 C CA . ALA A 166 ? 0.1547 0.1762 0.1443 0.0075 0.0120 -0.0029 248 ALA A CA 1316 C C . ALA A 166 ? 0.1874 0.2106 0.1773 0.0086 0.0132 -0.0033 248 ALA A C 1317 O O . ALA A 166 ? 0.2231 0.2459 0.2149 0.0089 0.0135 -0.0027 248 ALA A O 1318 C CB . ALA A 166 ? 0.2343 0.2522 0.2244 0.0074 0.0114 -0.0042 248 ALA A CB 1319 N N . THR A 167 ? 0.1766 0.2019 0.1646 0.0093 0.0139 -0.0043 249 THR A N 1320 C CA . THR A 167 ? 0.2368 0.2631 0.2250 0.0103 0.0149 -0.0050 249 THR A CA 1321 C C . THR A 167 ? 0.2492 0.2786 0.2367 0.0102 0.0153 -0.0041 249 THR A C 1322 O O . THR A 167 ? 0.2607 0.2909 0.2474 0.0109 0.0159 -0.0053 249 THR A O 1323 C CB . THR A 167 ? 0.2208 0.2450 0.2079 0.0111 0.0150 -0.0077 249 THR A CB 1324 O OG1 . THR A 167 ? 0.2855 0.3097 0.2703 0.0106 0.0145 -0.0088 249 THR A OG1 1325 C CG2 . THR A 167 ? 0.2675 0.2885 0.2555 0.0113 0.0146 -0.0086 249 THR A CG2 1326 N N . GLY A 168 ? 0.1710 0.2021 0.1588 0.0093 0.0151 -0.0019 250 GLY A N 1327 C CA . GLY A 168 ? 0.1929 0.2269 0.1802 0.0091 0.0154 -0.0007 250 GLY A CA 1328 C C . GLY A 168 ? 0.2227 0.2575 0.2105 0.0080 0.0149 0.0018 250 GLY A C 1329 O O . GLY A 168 ? 0.1985 0.2317 0.1875 0.0075 0.0144 0.0025 250 GLY A O 1330 N N . PRO A 169 ? 0.1883 0.2255 0.1755 0.0076 0.0149 0.0032 251 PRO A N 1331 C CA . PRO A 169 ? 0.2156 0.2533 0.2034 0.0066 0.0145 0.0057 251 PRO A CA 1332 C C . PRO A 169 ? 0.1965 0.2326 0.1835 0.0062 0.0136 0.0056 251 PRO A C 1333 O O . PRO A 169 ? 0.2128 0.2487 0.1979 0.0065 0.0133 0.0039 251 PRO A O 1334 C CB . PRO A 169 ? 0.2377 0.2782 0.2244 0.0065 0.0147 0.0066 251 PRO A CB 1335 C CG . PRO A 169 ? 0.2094 0.2511 0.1958 0.0074 0.0155 0.0051 251 PRO A CG 1336 C CD . PRO A 169 ? 0.2331 0.2726 0.2191 0.0081 0.0155 0.0026 251 PRO A CD 1337 N N . ALA A 170 ? 0.1853 0.2203 0.1737 0.0055 0.0132 0.0073 252 ALA A N 1338 C CA . ALA A 170 ? 0.2095 0.2431 0.1974 0.0051 0.0123 0.0074 252 ALA A CA 1339 C C . ALA A 170 ? 0.2198 0.2536 0.2086 0.0043 0.0119 0.0101 252 ALA A C 1340 O O . ALA A 170 ? 0.1902 0.2250 0.1802 0.0040 0.0123 0.0117 252 ALA A O 1341 C CB . ALA A 170 ? 0.1437 0.1739 0.1328 0.0051 0.0119 0.0061 252 ALA A CB 1342 N N . ASP A 171 ? 0.1489 0.1815 0.1374 0.0040 0.0111 0.0105 253 ASP A N 1343 C CA . ASP A 171 ? 0.1355 0.1681 0.1248 0.0034 0.0107 0.0131 253 ASP A CA 1344 C C . ASP A 171 ? 0.1683 0.1975 0.1599 0.0028 0.0101 0.0135 253 ASP A C 1345 O O . ASP A 171 ? 0.1312 0.1582 0.1230 0.0028 0.0093 0.0126 253 ASP A O 1346 C CB . ASP A 171 ? 0.1612 0.1946 0.1488 0.0035 0.0099 0.0133 253 ASP A CB 1347 C CG . ASP A 171 ? 0.3218 0.3579 0.3075 0.0039 0.0101 0.0126 253 ASP A CG 1348 O OD1 . ASP A 171 ? 0.2716 0.3091 0.2576 0.0039 0.0107 0.0132 253 ASP A OD1 1349 O OD2 . ASP A 171 ? 0.3401 0.3769 0.3240 0.0041 0.0095 0.0114 253 ASP A OD2 1350 N N . THR A 172 ? 0.1199 0.1489 0.1133 0.0023 0.0106 0.0148 254 THR A N 1351 C CA . THR A 172 ? 0.1198 0.1458 0.1155 0.0017 0.0101 0.0152 254 THR A CA 1352 C C . THR A 172 ? 0.1486 0.1740 0.1451 0.0011 0.0098 0.0176 254 THR A C 1353 O O . THR A 172 ? 0.1349 0.1624 0.1312 0.0009 0.0103 0.0195 254 THR A O 1354 C CB . THR A 172 ? 0.1320 0.1580 0.1293 0.0014 0.0108 0.0150 254 THR A CB 1355 O OG1 . THR A 172 ? 0.1363 0.1620 0.1330 0.0021 0.0109 0.0126 254 THR A OG1 1356 C CG2 . THR A 172 ? 0.1262 0.1495 0.1258 0.0006 0.0103 0.0156 254 THR A CG2 1357 N N . ARG A 173 ? 0.1345 0.1571 0.1321 0.0009 0.0090 0.0175 255 ARG A N 1358 C CA . ARG A 173 ? 0.1445 0.1660 0.1431 0.0004 0.0087 0.0196 255 ARG A CA 1359 C C . ARG A 173 ? 0.1433 0.1617 0.1442 -0.0002 0.0084 0.0195 255 ARG A C 1360 O O . ARG A 173 ? 0.1588 0.1756 0.1600 -0.0001 0.0080 0.0176 255 ARG A O 1361 C CB . ARG A 173 ? 0.1366 0.1579 0.1341 0.0010 0.0079 0.0197 255 ARG A CB 1362 C CG . ARG A 173 ? 0.1524 0.1769 0.1477 0.0015 0.0081 0.0203 255 ARG A CG 1363 C CD . ARG A 173 ? 0.1267 0.1511 0.1211 0.0020 0.0072 0.0204 255 ARG A CD 1364 N NE . ARG A 173 ? 0.1388 0.1666 0.1310 0.0024 0.0073 0.0209 255 ARG A NE 1365 C CZ . ARG A 173 ? 0.1516 0.1804 0.1429 0.0028 0.0065 0.0215 255 ARG A CZ 1366 N NH1 . ARG A 173 ? 0.1585 0.1851 0.1509 0.0029 0.0057 0.0215 255 ARG A NH1 1367 N NH2 . ARG A 173 ? 0.1891 0.2208 0.1785 0.0031 0.0065 0.0216 255 ARG A NH2 1368 N N . ILE A 174 ? 0.1279 0.1454 0.1302 -0.0009 0.0085 0.0215 256 ILE A N 1369 C CA . ILE A 174 ? 0.1359 0.1503 0.1402 -0.0016 0.0081 0.0214 256 ILE A CA 1370 C C . ILE A 174 ? 0.2033 0.2158 0.2078 -0.0013 0.0075 0.0225 256 ILE A C 1371 O O . ILE A 174 ? 0.1410 0.1544 0.1455 -0.0013 0.0077 0.0246 256 ILE A O 1372 C CB . ILE A 174 ? 0.1699 0.1842 0.1759 -0.0027 0.0087 0.0227 256 ILE A CB 1373 C CG1 . ILE A 174 ? 0.1687 0.1849 0.1748 -0.0028 0.0092 0.0215 256 ILE A CG1 1374 C CG2 . ILE A 174 ? 0.1495 0.1605 0.1575 -0.0034 0.0082 0.0226 256 ILE A CG2 1375 C CD1 . ILE A 174 ? 0.2745 0.2941 0.2793 -0.0024 0.0099 0.0220 256 ILE A CD1 1376 N N . TYR A 175 ? 0.1318 0.1422 0.1368 -0.0010 0.0068 0.0210 257 TYR A N 1377 C CA . TYR A 175 ? 0.1299 0.1385 0.1353 -0.0006 0.0063 0.0218 257 TYR A CA 1378 C C . TYR A 175 ? 0.1628 0.1683 0.1703 -0.0013 0.0062 0.0220 257 TYR A C 1379 O O . TYR A 175 ? 0.1624 0.1669 0.1707 -0.0019 0.0062 0.0206 257 TYR A O 1380 C CB . TYR A 175 ? 0.1277 0.1362 0.1321 0.0002 0.0056 0.0200 257 TYR A CB 1381 C CG . TYR A 175 ? 0.1477 0.1589 0.1502 0.0009 0.0055 0.0203 257 TYR A CG 1382 C CD1 . TYR A 175 ? 0.1745 0.1881 0.1753 0.0010 0.0058 0.0195 257 TYR A CD1 1383 C CD2 . TYR A 175 ? 0.1554 0.1668 0.1577 0.0016 0.0050 0.0215 257 TYR A CD2 1384 C CE1 . TYR A 175 ? 0.1520 0.1682 0.1510 0.0016 0.0057 0.0196 257 TYR A CE1 1385 C CE2 . TYR A 175 ? 0.1669 0.1810 0.1674 0.0022 0.0047 0.0218 257 TYR A CE2 1386 C CZ . TYR A 175 ? 0.1451 0.1616 0.1438 0.0021 0.0051 0.0208 257 TYR A CZ 1387 O OH . TYR A 175 ? 0.1645 0.1838 0.1613 0.0026 0.0049 0.0209 257 TYR A OH 1388 N N . TYR A 176 ? 0.1165 0.1204 0.1248 -0.0012 0.0060 0.0237 258 TYR A N 1389 C CA . TYR A 176 ? 0.1171 0.1178 0.1274 -0.0017 0.0059 0.0238 258 TYR A CA 1390 C C . TYR A 176 ? 0.1650 0.1639 0.1755 -0.0008 0.0053 0.0234 258 TYR A C 1391 O O . TYR A 176 ? 0.1542 0.1535 0.1644 0.0000 0.0051 0.0250 258 TYR A O 1392 C CB . TYR A 176 ? 0.1540 0.1543 0.1651 -0.0024 0.0061 0.0254 258 TYR A CB 1393 C CG . TYR A 176 ? 0.1234 0.1257 0.1343 -0.0032 0.0066 0.0256 258 TYR A CG 1394 C CD1 . TYR A 176 ? 0.1620 0.1674 0.1714 -0.0029 0.0070 0.0265 258 TYR A CD1 1395 C CD2 . TYR A 176 ? 0.1186 0.1198 0.1308 -0.0044 0.0068 0.0247 258 TYR A CD2 1396 C CE1 . TYR A 176 ? 0.1505 0.1580 0.1599 -0.0036 0.0075 0.0266 258 TYR A CE1 1397 C CE2 . TYR A 176 ? 0.1576 0.1608 0.1696 -0.0051 0.0073 0.0249 258 TYR A CE2 1398 C CZ . TYR A 176 ? 0.1738 0.1802 0.1845 -0.0047 0.0077 0.0258 258 TYR A CZ 1399 O OH . TYR A 176 ? 0.1657 0.1744 0.1765 -0.0053 0.0082 0.0259 258 TYR A OH 1400 N N . PHE A 177 ? 0.1400 0.1372 0.1512 -0.0008 0.0050 0.0213 259 PHE A N 1401 C CA . PHE A 177 ? 0.1310 0.1267 0.1424 0.0001 0.0045 0.0207 259 PHE A CA 1402 C C . PHE A 177 ? 0.1364 0.1287 0.1497 -0.0002 0.0045 0.0207 259 PHE A C 1403 O O . PHE A 177 ? 0.1606 0.1515 0.1749 -0.0013 0.0047 0.0201 259 PHE A O 1404 C CB . PHE A 177 ? 0.1345 0.1310 0.1451 0.0004 0.0041 0.0182 259 PHE A CB 1405 C CG . PHE A 177 ? 0.1428 0.1423 0.1516 0.0007 0.0041 0.0179 259 PHE A CG 1406 C CD1 . PHE A 177 ? 0.1483 0.1495 0.1561 0.0016 0.0037 0.0184 259 PHE A CD1 1407 C CD2 . PHE A 177 ? 0.1340 0.1348 0.1421 0.0001 0.0044 0.0169 259 PHE A CD2 1408 C CE1 . PHE A 177 ? 0.1288 0.1326 0.1347 0.0018 0.0037 0.0178 259 PHE A CE1 1409 C CE2 . PHE A 177 ? 0.1239 0.1272 0.1303 0.0004 0.0045 0.0164 259 PHE A CE2 1410 C CZ . PHE A 177 ? 0.1215 0.1262 0.1267 0.0012 0.0041 0.0167 259 PHE A CZ 1411 N N . LYS A 178 ? 0.1226 0.1135 0.1365 0.0008 0.0041 0.0212 260 LYS A N 1412 C CA . LYS A 178 ? 0.1058 0.0934 0.1214 0.0008 0.0041 0.0204 260 LYS A CA 1413 C C . LYS A 178 ? 0.1726 0.1599 0.1883 0.0021 0.0037 0.0197 260 LYS A C 1414 O O . LYS A 178 ? 0.1493 0.1377 0.1647 0.0032 0.0035 0.0210 260 LYS A O 1415 C CB . LYS A 178 ? 0.1374 0.1235 0.1537 0.0005 0.0042 0.0216 260 LYS A CB 1416 C CG . LYS A 178 ? 0.1623 0.1450 0.1798 0.0004 0.0041 0.0203 260 LYS A CG 1417 C CD . LYS A 178 ? 0.1992 0.1801 0.2174 -0.0003 0.0043 0.0213 260 LYS A CD 1418 C CE . LYS A 178 ? 0.2825 0.2601 0.3017 -0.0001 0.0042 0.0201 260 LYS A CE 1419 N NZ . LYS A 178 ? 0.4159 0.3914 0.4357 -0.0005 0.0043 0.0212 260 LYS A NZ 1420 N N . GLU A 179 ? 0.1586 0.1447 0.1747 0.0020 0.0036 0.0174 261 GLU A N 1421 C CA . GLU A 179 ? 0.1451 0.1314 0.1613 0.0031 0.0032 0.0163 261 GLU A CA 1422 C C . GLU A 179 ? 0.1622 0.1519 0.1768 0.0038 0.0029 0.0164 261 GLU A C 1423 O O . GLU A 179 ? 0.1560 0.1465 0.1707 0.0050 0.0026 0.0166 261 GLU A O 1424 C CB . GLU A 179 ? 0.1629 0.1469 0.1806 0.0042 0.0032 0.0172 261 GLU A CB 1425 C CG . GLU A 179 ? 0.1408 0.1216 0.1594 0.0034 0.0035 0.0161 261 GLU A CG 1426 C CD . GLU A 179 ? 0.3874 0.3663 0.4070 0.0044 0.0034 0.0165 261 GLU A CD 1427 O OE1 . GLU A 179 ? 0.4482 0.4274 0.4677 0.0049 0.0033 0.0185 261 GLU A OE1 1428 O OE2 . GLU A 179 ? 0.4952 0.4722 0.5155 0.0046 0.0034 0.0148 261 GLU A OE2 1429 N N . GLY A 180 ? 0.1218 0.1134 0.1351 0.0030 0.0030 0.0162 262 GLY A N 1430 C CA . GLY A 180 ? 0.1728 0.1675 0.1845 0.0034 0.0027 0.0160 262 GLY A CA 1431 C C . GLY A 180 ? 0.1883 0.1849 0.1993 0.0039 0.0026 0.0181 262 GLY A C 1432 O O . GLY A 180 ? 0.1687 0.1679 0.1782 0.0041 0.0024 0.0180 262 GLY A O 1433 N N . LYS A 181 ? 0.1370 0.1321 0.1490 0.0042 0.0028 0.0201 263 LYS A N 1434 C CA . LYS A 181 ? 0.1716 0.1686 0.1829 0.0047 0.0027 0.0225 263 LYS A CA 1435 C C . LYS A 181 ? 0.1857 0.1837 0.1962 0.0037 0.0032 0.0234 263 LYS A C 1436 O O . LYS A 181 ? 0.1876 0.1841 0.1989 0.0027 0.0036 0.0230 263 LYS A O 1437 C CB . LYS A 181 ? 0.2000 0.1950 0.2129 0.0054 0.0027 0.0245 263 LYS A CB 1438 C CG . LYS A 181 ? 0.4164 0.4093 0.4306 0.0063 0.0025 0.0235 263 LYS A CG 1439 C CD . LYS A 181 ? 0.4624 0.4580 0.4760 0.0074 0.0019 0.0229 263 LYS A CD 1440 C CE . LYS A 181 ? 0.5959 0.5915 0.6104 0.0089 0.0016 0.0249 263 LYS A CE 1441 N NZ . LYS A 181 ? 0.7196 0.7115 0.7357 0.0089 0.0019 0.0249 263 LYS A NZ 1442 N N . ILE A 182 ? 0.1470 0.1480 0.1560 0.0040 0.0031 0.0246 264 ILE A N 1443 C CA . ILE A 182 ? 0.1375 0.1401 0.1457 0.0032 0.0036 0.0256 264 ILE A CA 1444 C C . ILE A 182 ? 0.1673 0.1687 0.1765 0.0030 0.0039 0.0280 264 ILE A C 1445 O O . ILE A 182 ? 0.1752 0.1774 0.1843 0.0038 0.0036 0.0294 264 ILE A O 1446 C CB . ILE A 182 ? 0.1177 0.1240 0.1236 0.0036 0.0035 0.0257 264 ILE A CB 1447 C CG1 . ILE A 182 ? 0.1795 0.1868 0.1844 0.0036 0.0032 0.0230 264 ILE A CG1 1448 C CG2 . ILE A 182 ? 0.1524 0.1607 0.1574 0.0029 0.0041 0.0269 264 ILE A CG2 1449 C CD1 . ILE A 182 ? 0.2166 0.2274 0.2196 0.0041 0.0028 0.0228 264 ILE A CD1 1450 N N . LEU A 183 ? 0.1493 0.1490 0.1594 0.0019 0.0044 0.0278 265 LEU A N 1451 C CA . LEU A 183 ? 0.1593 0.1579 0.1702 0.0015 0.0046 0.0292 265 LEU A CA 1452 C C . LEU A 183 ? 0.1820 0.1838 0.1916 0.0012 0.0049 0.0305 265 LEU A C 1453 O O . LEU A 183 ? 0.1808 0.1831 0.1905 0.0014 0.0049 0.0322 265 LEU A O 1454 C CB . LEU A 183 ? 0.1561 0.1519 0.1685 0.0003 0.0049 0.0284 265 LEU A CB 1455 C CG . LEU A 183 ? 0.1853 0.1779 0.1991 0.0004 0.0046 0.0269 265 LEU A CG 1456 C CD1 . LEU A 183 ? 0.2329 0.2232 0.2479 -0.0009 0.0049 0.0260 265 LEU A CD1 1457 C CD2 . LEU A 183 ? 0.2748 0.2659 0.2892 0.0015 0.0043 0.0276 265 LEU A CD2 1458 N N . LYS A 184 ? 0.1351 0.1391 0.1436 0.0007 0.0052 0.0296 266 LYS A N 1459 C CA . LYS A 184 ? 0.1533 0.1601 0.1607 0.0003 0.0057 0.0304 266 LYS A CA 1460 C C . LYS A 184 ? 0.1694 0.1783 0.1755 0.0001 0.0060 0.0289 266 LYS A C 1461 O O . LYS A 184 ? 0.1434 0.1509 0.1499 -0.0001 0.0060 0.0275 266 LYS A O 1462 C CB . LYS A 184 ? 0.1999 0.2052 0.2086 -0.0008 0.0061 0.0310 266 LYS A CB 1463 C CG . LYS A 184 ? 0.2754 0.2835 0.2834 -0.0015 0.0067 0.0317 266 LYS A CG 1464 C CD . LYS A 184 ? 0.2257 0.2320 0.2352 -0.0026 0.0070 0.0322 266 LYS A CD 1465 C CE . LYS A 184 ? 0.2886 0.2977 0.2975 -0.0033 0.0076 0.0330 266 LYS A CE 1466 N NZ . LYS A 184 ? 0.2625 0.2700 0.2730 -0.0045 0.0078 0.0337 266 LYS A NZ 1467 N N . TRP A 185 ? 0.1817 0.1939 0.1860 0.0003 0.0063 0.0293 267 TRP A N 1468 C CA . TRP A 185 ? 0.1450 0.1592 0.1483 0.0000 0.0068 0.0279 267 TRP A CA 1469 C C . TRP A 185 ? 0.1395 0.1561 0.1422 -0.0004 0.0073 0.0287 267 TRP A C 1470 O O . TRP A 185 ? 0.1486 0.1662 0.1511 -0.0002 0.0072 0.0302 267 TRP A O 1471 C CB . TRP A 185 ? 0.1123 0.1282 0.1136 0.0008 0.0065 0.0267 267 TRP A CB 1472 C CG . TRP A 185 ? 0.1363 0.1551 0.1359 0.0015 0.0062 0.0273 267 TRP A CG 1473 C CD1 . TRP A 185 ? 0.1898 0.2085 0.1891 0.0023 0.0055 0.0280 267 TRP A CD1 1474 C CD2 . TRP A 185 ? 0.1394 0.1615 0.1371 0.0016 0.0066 0.0272 267 TRP A CD2 1475 N NE1 . TRP A 185 ? 0.1914 0.2134 0.1889 0.0027 0.0053 0.0283 267 TRP A NE1 1476 C CE2 . TRP A 185 ? 0.1256 0.1497 0.1221 0.0023 0.0060 0.0278 267 TRP A CE2 1477 C CE3 . TRP A 185 ? 0.1379 0.1617 0.1351 0.0012 0.0073 0.0265 267 TRP A CE3 1478 C CZ2 . TRP A 185 ? 0.1341 0.1616 0.1286 0.0026 0.0062 0.0276 267 TRP A CZ2 1479 C CZ3 . TRP A 185 ? 0.1760 0.2031 0.1713 0.0016 0.0075 0.0264 267 TRP A CZ3 1480 C CH2 . TRP A 185 ? 0.1529 0.1817 0.1469 0.0022 0.0069 0.0269 267 TRP A CH2 1481 N N . GLU A 186 ? 0.1327 0.1505 0.1352 -0.0008 0.0079 0.0276 268 GLU A N 1482 C CA . GLU A 186 ? 0.1870 0.2074 0.1891 -0.0011 0.0085 0.0281 268 GLU A CA 1483 C C . GLU A 186 ? 0.1512 0.1739 0.1517 -0.0008 0.0089 0.0264 268 GLU A C 1484 O O . GLU A 186 ? 0.1766 0.1984 0.1773 -0.0007 0.0090 0.0248 268 GLU A O 1485 C CB . GLU A 186 ? 0.2395 0.2586 0.2434 -0.0022 0.0088 0.0284 268 GLU A CB 1486 C CG . GLU A 186 ? 0.3395 0.3555 0.3453 -0.0029 0.0085 0.0295 268 GLU A CG 1487 C CD . GLU A 186 ? 0.2762 0.2915 0.2836 -0.0040 0.0089 0.0295 268 GLU A CD 1488 O OE1 . GLU A 186 ? 0.1620 0.1763 0.1702 -0.0045 0.0089 0.0281 268 GLU A OE1 1489 O OE2 . GLU A 186 ? 0.3528 0.3689 0.3606 -0.0046 0.0092 0.0309 268 GLU A OE2 1490 N N A SER A 187 ? 0.1310 0.1568 0.1301 -0.0005 0.0093 0.0266 269 SER A N 1491 N N B SER A 187 ? 0.1304 0.1561 0.1295 -0.0005 0.0093 0.0266 269 SER A N 1492 C CA A SER A 187 ? 0.1481 0.1760 0.1459 -0.0001 0.0098 0.0248 269 SER A CA 1493 C CA B SER A 187 ? 0.1481 0.1760 0.1460 -0.0001 0.0098 0.0249 269 SER A CA 1494 C C A SER A 187 ? 0.1744 0.2021 0.1738 -0.0008 0.0104 0.0246 269 SER A C 1495 C C B SER A 187 ? 0.1745 0.2021 0.1740 -0.0008 0.0104 0.0246 269 SER A C 1496 O O A SER A 187 ? 0.1306 0.1576 0.1315 -0.0016 0.0105 0.0260 269 SER A O 1497 O O B SER A 187 ? 0.1304 0.1573 0.1315 -0.0016 0.0105 0.0260 269 SER A O 1498 C CB A SER A 187 ? 0.2021 0.2333 0.1980 0.0004 0.0101 0.0249 269 SER A CB 1499 C CB B SER A 187 ? 0.2028 0.2340 0.1989 0.0004 0.0101 0.0251 269 SER A CB 1500 O OG A SER A 187 ? 0.2057 0.2379 0.2024 0.0000 0.0103 0.0268 269 SER A OG 1501 O OG B SER A 187 ? 0.1855 0.2173 0.1800 0.0010 0.0095 0.0252 269 SER A OG 1502 N N . LEU A 188 ? 0.1507 0.1789 0.1498 -0.0005 0.0108 0.0228 270 LEU A N 1503 C CA . LEU A 188 ? 0.1524 0.1809 0.1531 -0.0010 0.0113 0.0224 270 LEU A CA 1504 C C . LEU A 188 ? 0.1630 0.1938 0.1639 -0.0013 0.0118 0.0235 270 LEU A C 1505 O O . LEU A 188 ? 0.1794 0.2126 0.1786 -0.0007 0.0121 0.0235 270 LEU A O 1506 C CB . LEU A 188 ? 0.1415 0.1708 0.1415 -0.0003 0.0117 0.0202 270 LEU A CB 1507 C CG . LEU A 188 ? 0.1439 0.1738 0.1453 -0.0006 0.0122 0.0197 270 LEU A CG 1508 C CD1 . LEU A 188 ? 0.1377 0.1651 0.1413 -0.0015 0.0118 0.0199 270 LEU A CD1 1509 C CD2 . LEU A 188 ? 0.1747 0.2057 0.1751 0.0004 0.0127 0.0176 270 LEU A CD2 1510 N N . THR A 189 ? 0.1345 0.1645 0.1373 -0.0023 0.0119 0.0244 271 THR A N 1511 C CA . THR A 189 ? 0.1606 0.1928 0.1639 -0.0027 0.0124 0.0254 271 THR A CA 1512 C C . THR A 189 ? 0.1845 0.2173 0.1892 -0.0031 0.0128 0.0245 271 THR A C 1513 O O . THR A 189 ? 0.1752 0.2064 0.1806 -0.0030 0.0126 0.0233 271 THR A O 1514 C CB . THR A 189 ? 0.1646 0.1957 0.1689 -0.0036 0.0122 0.0276 271 THR A CB 1515 O OG1 . THR A 189 ? 0.3760 0.4098 0.3802 -0.0039 0.0127 0.0287 271 THR A OG1 1516 C CG2 . THR A 189 ? 0.1551 0.1834 0.1616 -0.0047 0.0119 0.0277 271 THR A CG2 1517 N N . GLY A 190 ? 0.1735 0.2086 0.1786 -0.0033 0.0134 0.0252 272 GLY A N 1518 C CA . GLY A 190 ? 0.1667 0.2026 0.1732 -0.0036 0.0137 0.0245 272 GLY A CA 1519 C C . GLY A 190 ? 0.1682 0.2067 0.1738 -0.0024 0.0143 0.0229 272 GLY A C 1520 O O . GLY A 190 ? 0.1696 0.2095 0.1732 -0.0015 0.0146 0.0225 272 GLY A O 1521 N N . THR A 191 ? 0.1394 0.1783 0.1463 -0.0024 0.0145 0.0220 273 THR A N 1522 C CA . THR A 191 ? 0.1748 0.2162 0.1811 -0.0013 0.0152 0.0207 273 THR A CA 1523 C C . THR A 191 ? 0.1304 0.1707 0.1362 -0.0002 0.0151 0.0187 273 THR A C 1524 O O . THR A 191 ? 0.1314 0.1733 0.1365 0.0009 0.0156 0.0174 273 THR A O 1525 C CB . THR A 191 ? 0.1551 0.1985 0.1631 -0.0018 0.0156 0.0211 273 THR A CB 1526 O OG1 . THR A 191 ? 0.1579 0.1997 0.1679 -0.0026 0.0151 0.0210 273 THR A OG1 1527 C CG2 . THR A 191 ? 0.1794 0.2242 0.1877 -0.0027 0.0158 0.0231 273 THR A CG2 1528 N N . ALA A 192 ? 0.1263 0.1638 0.1323 -0.0005 0.0145 0.0184 274 ALA A N 1529 C CA . ALA A 192 ? 0.1009 0.1373 0.1061 0.0005 0.0144 0.0166 274 ALA A CA 1530 C C . ALA A 192 ? 0.1550 0.1922 0.1577 0.0016 0.0147 0.0157 274 ALA A C 1531 O O . ALA A 192 ? 0.1707 0.2077 0.1722 0.0013 0.0145 0.0166 274 ALA A O 1532 C CB . ALA A 192 ? 0.1064 0.1397 0.1122 -0.0002 0.0137 0.0166 274 ALA A CB 1533 N N . LYS A 193 ? 0.1050 0.1428 0.1069 0.0028 0.0151 0.0139 275 LYS A N 1534 C CA . LYS A 193 ? 0.1384 0.1772 0.1379 0.0038 0.0154 0.0127 275 LYS A CA 1535 C C . LYS A 193 ? 0.1503 0.1871 0.1484 0.0044 0.0150 0.0112 275 LYS A C 1536 O O . LYS A 193 ? 0.1597 0.1969 0.1556 0.0049 0.0151 0.0104 275 LYS A O 1537 C CB . LYS A 193 ? 0.1442 0.1850 0.1435 0.0049 0.0162 0.0116 275 LYS A CB 1538 C CG . LYS A 193 ? 0.1259 0.1693 0.1263 0.0044 0.0166 0.0130 275 LYS A CG 1539 C CD . LYS A 193 ? 0.1345 0.1789 0.1341 0.0036 0.0165 0.0148 275 LYS A CD 1540 C CE . LYS A 193 ? 0.1680 0.2153 0.1684 0.0032 0.0171 0.0160 275 LYS A CE 1541 N NZ . LYS A 193 ? 0.1590 0.2063 0.1619 0.0024 0.0170 0.0169 275 LYS A NZ 1542 N N . HIS A 194 ? 0.1500 0.1846 0.1492 0.0042 0.0147 0.0108 276 HIS A N 1543 C CA . HIS A 194 ? 0.1334 0.1660 0.1315 0.0046 0.0143 0.0095 276 HIS A CA 1544 C C . HIS A 194 ? 0.1574 0.1874 0.1573 0.0039 0.0136 0.0099 276 HIS A C 1545 O O . HIS A 194 ? 0.1574 0.1875 0.1592 0.0037 0.0137 0.0101 276 HIS A O 1546 C CB . HIS A 194 ? 0.1534 0.1858 0.1504 0.0060 0.0147 0.0072 276 HIS A CB 1547 C CG . HIS A 194 ? 0.1368 0.1668 0.1325 0.0063 0.0140 0.0056 276 HIS A CG 1548 N ND1 . HIS A 194 ? 0.1786 0.2090 0.1718 0.0066 0.0140 0.0046 276 HIS A ND1 1549 C CD2 . HIS A 194 ? 0.1473 0.1740 0.1436 0.0060 0.0132 0.0047 276 HIS A CD2 1550 C CE1 . HIS A 194 ? 0.1444 0.1720 0.1371 0.0066 0.0132 0.0032 276 HIS A CE1 1551 N NE2 . HIS A 194 ? 0.2244 0.2496 0.2189 0.0062 0.0127 0.0033 276 HIS A NE2 1552 N N . ILE A 195 ? 0.1274 0.1550 0.1266 0.0034 0.0127 0.0097 277 ILE A N 1553 C CA . ILE A 195 ? 0.1195 0.1443 0.1203 0.0026 0.0118 0.0100 277 ILE A CA 1554 C C . ILE A 195 ? 0.1510 0.1729 0.1509 0.0029 0.0110 0.0083 277 ILE A C 1555 O O . ILE A 195 ? 0.1336 0.1553 0.1319 0.0031 0.0107 0.0078 277 ILE A O 1556 C CB . ILE A 195 ? 0.1183 0.1428 0.1196 0.0016 0.0114 0.0120 277 ILE A CB 1557 C CG1 . ILE A 195 ? 0.1602 0.1871 0.1627 0.0010 0.0122 0.0139 277 ILE A CG1 1558 C CG2 . ILE A 195 ? 0.0965 0.1178 0.0991 0.0008 0.0105 0.0120 277 ILE A CG2 1559 C CD1 . ILE A 195 ? 0.1596 0.1862 0.1644 0.0004 0.0122 0.0140 277 ILE A CD1 1560 N N . GLU A 196 ? 0.1224 0.1425 0.1235 0.0029 0.0106 0.0075 278 GLU A N 1561 C CA . GLU A 196 ? 0.1440 0.1613 0.1447 0.0029 0.0098 0.0062 278 GLU A CA 1562 C C . GLU A 196 ? 0.1002 0.1157 0.1027 0.0022 0.0092 0.0065 278 GLU A C 1563 O O . GLU A 196 ? 0.1380 0.1544 0.1420 0.0019 0.0095 0.0072 278 GLU A O 1564 C CB . GLU A 196 ? 0.1311 0.1480 0.1310 0.0039 0.0100 0.0043 278 GLU A CB 1565 C CG . GLU A 196 ? 0.1528 0.1714 0.1509 0.0048 0.0107 0.0035 278 GLU A CG 1566 C CD . GLU A 196 ? 0.2316 0.2495 0.2279 0.0047 0.0102 0.0028 278 GLU A CD 1567 O OE1 . GLU A 196 ? 0.2267 0.2428 0.2232 0.0040 0.0094 0.0029 278 GLU A OE1 1568 O OE2 . GLU A 196 ? 0.2499 0.2692 0.2445 0.0053 0.0107 0.0019 278 GLU A OE2 1569 N N . GLU A 197 ? 0.1168 0.1301 0.1191 0.0019 0.0085 0.0060 279 GLU A N 1570 C CA . GLU A 197 ? 0.1120 0.1234 0.1155 0.0014 0.0079 0.0057 279 GLU A CA 1571 C C . GLU A 197 ? 0.1029 0.1148 0.1083 0.0006 0.0079 0.0069 279 GLU A C 1572 O O . GLU A 197 ? 0.1046 0.1165 0.1110 0.0005 0.0079 0.0066 279 GLU A O 1573 C CB . GLU A 197 ? 0.1338 0.1445 0.1372 0.0021 0.0079 0.0043 279 GLU A CB 1574 C CG . GLU A 197 ? 0.1445 0.1542 0.1462 0.0026 0.0078 0.0030 279 GLU A CG 1575 C CD . GLU A 197 ? 0.1718 0.1808 0.1733 0.0034 0.0080 0.0017 279 GLU A CD 1576 O OE1 . GLU A 197 ? 0.1450 0.1549 0.1475 0.0038 0.0084 0.0019 279 GLU A OE1 1577 O OE2 . GLU A 197 ? 0.1637 0.1712 0.1642 0.0036 0.0077 0.0005 279 GLU A OE2 1578 N N . CYS A 198 ? 0.1163 0.1285 0.1220 -0.0001 0.0080 0.0082 280 CYS A N 1579 C CA . CYS A 198 ? 0.1199 0.1325 0.1274 -0.0010 0.0080 0.0093 280 CYS A CA 1580 C C . CYS A 198 ? 0.1465 0.1571 0.1551 -0.0016 0.0073 0.0088 280 CYS A C 1581 O O . CYS A 198 ? 0.1126 0.1212 0.1207 -0.0017 0.0068 0.0082 280 CYS A O 1582 C CB . CYS A 198 ? 0.1388 0.1517 0.1464 -0.0016 0.0082 0.0109 280 CYS A CB 1583 S SG . CYS A 198 ? 0.1681 0.1842 0.1747 -0.0011 0.0091 0.0119 280 CYS A SG 1584 N N . SER A 199 ? 0.1117 0.1230 0.1217 -0.0022 0.0074 0.0090 281 SER A N 1585 C CA . SER A 199 ? 0.1252 0.1351 0.1363 -0.0030 0.0068 0.0086 281 SER A CA 1586 C C . SER A 199 ? 0.1229 0.1328 0.1354 -0.0042 0.0068 0.0098 281 SER A C 1587 O O . SER A 199 ? 0.1245 0.1365 0.1379 -0.0046 0.0073 0.0107 281 SER A O 1588 C CB . SER A 199 ? 0.1206 0.1315 0.1323 -0.0028 0.0067 0.0079 281 SER A CB 1589 O OG . SER A 199 ? 0.1271 0.1376 0.1377 -0.0017 0.0068 0.0069 281 SER A OG 1590 N N . CYS A 200 ? 0.1157 0.1235 0.1284 -0.0048 0.0064 0.0098 282 CYS A N 1591 C CA . CYS A 200 ? 0.1076 0.1149 0.1216 -0.0060 0.0064 0.0109 282 CYS A CA 1592 C C . CYS A 200 ? 0.1494 0.1552 0.1646 -0.0071 0.0059 0.0103 282 CYS A C 1593 O O . CYS A 200 ? 0.1199 0.1244 0.1347 -0.0068 0.0054 0.0090 282 CYS A O 1594 C CB . CYS A 200 ? 0.1493 0.1553 0.1626 -0.0057 0.0065 0.0117 282 CYS A CB 1595 S SG . CYS A 200 ? 0.1594 0.1673 0.1710 -0.0045 0.0070 0.0123 282 CYS A SG 1596 N N . TYR A 201 ? 0.1221 0.1281 0.1388 -0.0083 0.0060 0.0112 283 TYR A N 1597 C CA . TYR A 201 ? 0.1415 0.1456 0.1593 -0.0095 0.0055 0.0106 283 TYR A CA 1598 C C . TYR A 201 ? 0.1230 0.1262 0.1418 -0.0106 0.0057 0.0119 283 TYR A C 1599 O O . TYR A 201 ? 0.1250 0.1295 0.1437 -0.0105 0.0062 0.0132 283 TYR A O 1600 C CB . TYR A 201 ? 0.1282 0.1341 0.1469 -0.0101 0.0052 0.0098 283 TYR A CB 1601 C CG . TYR A 201 ? 0.1158 0.1243 0.1357 -0.0109 0.0057 0.0110 283 TYR A CG 1602 C CD1 . TYR A 201 ? 0.1302 0.1415 0.1497 -0.0100 0.0062 0.0114 283 TYR A CD1 1603 C CD2 . TYR A 201 ? 0.1037 0.1117 0.1245 -0.0123 0.0055 0.0111 283 TYR A CD2 1604 C CE1 . TYR A 201 ? 0.1179 0.1318 0.1384 -0.0105 0.0066 0.0123 283 TYR A CE1 1605 C CE2 . TYR A 201 ? 0.1375 0.1479 0.1590 -0.0128 0.0058 0.0119 283 TYR A CE2 1606 C CZ . TYR A 201 ? 0.1620 0.1753 0.1833 -0.0119 0.0063 0.0125 283 TYR A CZ 1607 O OH . TYR A 201 ? 0.1692 0.1850 0.1913 -0.0124 0.0066 0.0132 283 TYR A OH 1608 N N . GLY A 202 ? 0.1208 0.1215 0.1400 -0.0113 0.0052 0.0111 284 GLY A N 1609 C CA . GLY A 202 ? 0.1554 0.1546 0.1749 -0.0121 0.0053 0.0119 284 GLY A CA 1610 C C . GLY A 202 ? 0.1460 0.1448 0.1664 -0.0135 0.0050 0.0110 284 GLY A C 1611 O O . GLY A 202 ? 0.1311 0.1299 0.1516 -0.0139 0.0045 0.0096 284 GLY A O 1612 N N . GLU A 203 ? 0.1461 0.1447 0.1670 -0.0145 0.0052 0.0119 285 GLU A N 1613 C CA . GLU A 203 ? 0.1316 0.1294 0.1532 -0.0160 0.0049 0.0112 285 GLU A CA 1614 C C . GLU A 203 ? 0.1972 0.1934 0.2191 -0.0166 0.0052 0.0124 285 GLU A C 1615 O O . GLU A 203 ? 0.1741 0.1700 0.1956 -0.0158 0.0055 0.0137 285 GLU A O 1616 C CB . GLU A 203 ? 0.1757 0.1767 0.1982 -0.0168 0.0049 0.0109 285 GLU A CB 1617 C CG . GLU A 203 ? 0.2618 0.2657 0.2846 -0.0166 0.0055 0.0124 285 GLU A CG 1618 C CD . GLU A 203 ? 0.3481 0.3536 0.3720 -0.0180 0.0056 0.0126 285 GLU A CD 1619 O OE1 . GLU A 203 ? 0.2859 0.2894 0.3102 -0.0192 0.0056 0.0127 285 GLU A OE1 1620 O OE2 . GLU A 203 ? 0.3755 0.3842 0.4000 -0.0180 0.0057 0.0126 285 GLU A OE2 1621 N N . ARG A 204 ? 0.1439 0.1393 0.1666 -0.0182 0.0051 0.0120 286 ARG A N 1622 C CA . ARG A 204 ? 0.1421 0.1355 0.1651 -0.0189 0.0054 0.0131 286 ARG A CA 1623 C C . ARG A 204 ? 0.1717 0.1669 0.1947 -0.0186 0.0060 0.0152 286 ARG A C 1624 O O . ARG A 204 ? 0.1757 0.1692 0.1986 -0.0185 0.0062 0.0164 286 ARG A O 1625 C CB . ARG A 204 ? 0.1989 0.1912 0.2226 -0.0208 0.0052 0.0122 286 ARG A CB 1626 C CG . ARG A 204 ? 0.1773 0.1731 0.2019 -0.0218 0.0053 0.0118 286 ARG A CG 1627 C CD . ARG A 204 ? 0.2543 0.2490 0.2796 -0.0237 0.0051 0.0107 286 ARG A CD 1628 N NE . ARG A 204 ? 0.2041 0.2024 0.2304 -0.0244 0.0050 0.0100 286 ARG A NE 1629 C CZ . ARG A 204 ? 0.2114 0.2098 0.2383 -0.0259 0.0047 0.0085 286 ARG A CZ 1630 N NH1 . ARG A 204 ? 0.2081 0.2031 0.2345 -0.0269 0.0044 0.0075 286 ARG A NH1 1631 N NH2 . ARG A 204 ? 0.2716 0.2736 0.2997 -0.0263 0.0047 0.0081 286 ARG A NH2 1632 N N . THR A 205 ? 0.2002 0.1990 0.2234 -0.0184 0.0062 0.0155 287 THR A N 1633 C CA . THR A 205 ? 0.2640 0.2650 0.2872 -0.0181 0.0068 0.0173 287 THR A CA 1634 C C . THR A 205 ? 0.2651 0.2661 0.2872 -0.0165 0.0070 0.0183 287 THR A C 1635 O O . THR A 205 ? 0.2676 0.2694 0.2895 -0.0163 0.0075 0.0199 287 THR A O 1636 C CB . THR A 205 ? 0.3408 0.3459 0.3645 -0.0182 0.0071 0.0173 287 THR A CB 1637 O OG1 . THR A 205 ? 0.3872 0.3938 0.4103 -0.0169 0.0070 0.0165 287 THR A OG1 1638 C CG2 . THR A 205 ? 0.2896 0.2953 0.3146 -0.0198 0.0069 0.0164 287 THR A CG2 1639 N N . GLY A 206 ? 0.2276 0.2277 0.2490 -0.0154 0.0067 0.0173 288 GLY A N 1640 C CA . GLY A 206 ? 0.1871 0.1874 0.2074 -0.0139 0.0068 0.0181 288 GLY A CA 1641 C C . GLY A 206 ? 0.2059 0.2075 0.2257 -0.0129 0.0067 0.0170 288 GLY A C 1642 O O . GLY A 206 ? 0.1815 0.1830 0.2016 -0.0133 0.0064 0.0156 288 GLY A O 1643 N N . ILE A 207 ? 0.1468 0.1495 0.1655 -0.0116 0.0070 0.0177 289 ILE A N 1644 C CA . ILE A 207 ? 0.1165 0.1203 0.1346 -0.0107 0.0069 0.0167 289 ILE A CA 1645 C C . ILE A 207 ? 0.1278 0.1352 0.1456 -0.0102 0.0075 0.0171 289 ILE A C 1646 O O . ILE A 207 ? 0.1546 0.1636 0.1720 -0.0100 0.0080 0.0184 289 ILE A O 1647 C CB . ILE A 207 ? 0.0859 0.0883 0.1030 -0.0095 0.0068 0.0169 289 ILE A CB 1648 C CG1 . ILE A 207 ? 0.1486 0.1475 0.1661 -0.0097 0.0063 0.0161 289 ILE A CG1 1649 C CG2 . ILE A 207 ? 0.1379 0.1417 0.1543 -0.0085 0.0070 0.0161 289 ILE A CG2 1650 C CD1 . ILE A 207 ? 0.1578 0.1552 0.1746 -0.0086 0.0062 0.0167 289 ILE A CD1 1651 N N . THR A 208 ? 0.1087 0.1175 0.1268 -0.0101 0.0074 0.0160 290 THR A N 1652 C CA . THR A 208 ? 0.0891 0.1013 0.1070 -0.0095 0.0079 0.0161 290 THR A CA 1653 C C . THR A 208 ? 0.1448 0.1575 0.1617 -0.0082 0.0080 0.0153 290 THR A C 1654 O O . THR A 208 ? 0.1317 0.1428 0.1485 -0.0081 0.0074 0.0139 290 THR A O 1655 C CB . THR A 208 ? 0.1357 0.1494 0.1549 -0.0104 0.0078 0.0156 290 THR A CB 1656 O OG1 . THR A 208 ? 0.1657 0.1789 0.1857 -0.0117 0.0077 0.0163 290 THR A OG1 1657 C CG2 . THR A 208 ? 0.1635 0.1806 0.1825 -0.0096 0.0083 0.0156 290 THR A CG2 1658 N N . CYS A 209 ? 0.1323 0.1468 0.1479 -0.0071 0.0086 0.0157 291 CYS A N 1659 C CA . CYS A 209 ? 0.1529 0.1674 0.1670 -0.0057 0.0085 0.0143 291 CYS A CA 1660 C C . CYS A 209 ? 0.1220 0.1395 0.1359 -0.0049 0.0091 0.0140 291 CYS A C 1661 O O . CYS A 209 ? 0.1769 0.1968 0.1909 -0.0049 0.0098 0.0152 291 CYS A O 1662 C CB . CYS A 209 ? 0.1153 0.1289 0.1276 -0.0048 0.0085 0.0145 291 CYS A CB 1663 S SG . CYS A 209 ? 0.1599 0.1701 0.1723 -0.0053 0.0078 0.0148 291 CYS A SG 1664 N N . THR A 210 ? 0.0899 0.1072 0.1036 -0.0042 0.0088 0.0126 292 THR A N 1665 C CA . THR A 210 ? 0.1338 0.1537 0.1475 -0.0032 0.0094 0.0122 292 THR A CA 1666 C C . THR A 210 ? 0.1422 0.1612 0.1539 -0.0018 0.0094 0.0110 292 THR A C 1667 O O . THR A 210 ? 0.1112 0.1278 0.1223 -0.0017 0.0087 0.0099 292 THR A O 1668 C CB . THR A 210 ? 0.1278 0.1483 0.1428 -0.0034 0.0090 0.0116 292 THR A CB 1669 O OG1 . THR A 210 ? 0.1444 0.1656 0.1612 -0.0050 0.0089 0.0126 292 THR A OG1 1670 C CG2 . THR A 210 ? 0.1240 0.1472 0.1391 -0.0023 0.0097 0.0114 292 THR A CG2 1671 N N . CYS A 211 ? 0.1259 0.1467 0.1366 -0.0009 0.0101 0.0111 293 CYS A N 1672 C CA . CYS A 211 ? 0.1382 0.1580 0.1469 0.0002 0.0101 0.0100 293 CYS A CA 1673 C C . CYS A 211 ? 0.1130 0.1341 0.1212 0.0015 0.0106 0.0089 293 CYS A C 1674 O O . CYS A 211 ? 0.1329 0.1554 0.1424 0.0017 0.0109 0.0090 293 CYS A O 1675 C CB . CYS A 211 ? 0.1363 0.1567 0.1437 0.0001 0.0104 0.0108 293 CYS A CB 1676 S SG . CYS A 211 ? 0.1691 0.1881 0.1775 -0.0013 0.0099 0.0125 293 CYS A SG 1677 N N . ARG A 212 ? 0.0953 0.1159 0.1016 0.0024 0.0108 0.0079 294 ARG A N 1678 C CA . ARG A 212 ? 0.1308 0.1522 0.1365 0.0038 0.0113 0.0066 294 ARG A CA 1679 C C . ARG A 212 ? 0.1292 0.1525 0.1333 0.0044 0.0121 0.0066 294 ARG A C 1680 O O . ARG A 212 ? 0.1293 0.1520 0.1319 0.0043 0.0119 0.0065 294 ARG A O 1681 C CB . ARG A 212 ? 0.1170 0.1355 0.1219 0.0042 0.0107 0.0051 294 ARG A CB 1682 C CG . ARG A 212 ? 0.1034 0.1216 0.1068 0.0056 0.0111 0.0036 294 ARG A CG 1683 C CD . ARG A 212 ? 0.1369 0.1520 0.1396 0.0056 0.0104 0.0023 294 ARG A CD 1684 N NE . ARG A 212 ? 0.1449 0.1593 0.1462 0.0067 0.0107 0.0007 294 ARG A NE 1685 C CZ . ARG A 212 ? 0.1542 0.1659 0.1548 0.0068 0.0102 -0.0005 294 ARG A CZ 1686 N NH1 . ARG A 212 ? 0.1225 0.1324 0.1237 0.0060 0.0094 -0.0003 294 ARG A NH1 1687 N NH2 . ARG A 212 ? 0.1327 0.1438 0.1322 0.0077 0.0106 -0.0020 294 ARG A NH2 1688 N N . ASP A 213 ? 0.0959 0.1219 0.1004 0.0052 0.0130 0.0067 295 ASP A N 1689 C CA . ASP A 213 ? 0.1096 0.1377 0.1125 0.0060 0.0138 0.0064 295 ASP A CA 1690 C C . ASP A 213 ? 0.1300 0.1568 0.1317 0.0073 0.0140 0.0043 295 ASP A C 1691 O O . ASP A 213 ? 0.1180 0.1453 0.1206 0.0082 0.0144 0.0037 295 ASP A O 1692 C CB . ASP A 213 ? 0.1331 0.1650 0.1372 0.0062 0.0149 0.0075 295 ASP A CB 1693 C CG . ASP A 213 ? 0.1533 0.1869 0.1556 0.0069 0.0154 0.0069 295 ASP A CG 1694 O OD1 . ASP A 213 ? 0.1699 0.2025 0.1703 0.0078 0.0156 0.0053 295 ASP A OD1 1695 O OD2 . ASP A 213 ? 0.1493 0.1850 0.1521 0.0065 0.0158 0.0080 295 ASP A OD2 1696 N N . ASN A 214 ? 0.1246 0.1497 0.1244 0.0074 0.0136 0.0032 296 ASN A N 1697 C CA . ASN A 214 ? 0.1169 0.1403 0.1155 0.0085 0.0137 0.0011 296 ASN A CA 1698 C C . ASN A 214 ? 0.1853 0.2109 0.1826 0.0097 0.0148 0.0001 296 ASN A C 1699 O O . ASN A 214 ? 0.1877 0.2120 0.1841 0.0107 0.0150 -0.0018 296 ASN A O 1700 C CB . ASN A 214 ? 0.1300 0.1507 0.1272 0.0080 0.0128 0.0001 296 ASN A CB 1701 C CG . ASN A 214 ? 0.1719 0.1899 0.1687 0.0087 0.0126 -0.0017 296 ASN A CG 1702 O OD1 . ASN A 214 ? 0.1618 0.1783 0.1600 0.0088 0.0123 -0.0017 296 ASN A OD1 1703 N ND2 . ASN A 214 ? 0.1659 0.1834 0.1608 0.0092 0.0127 -0.0034 296 ASN A ND2 1704 N N . TRP A 215 ? 0.1236 0.1525 0.1207 0.0096 0.0154 0.0012 297 TRP A N 1705 C CA . TRP A 215 ? 0.1358 0.1662 0.1315 0.0103 0.0160 0.0002 297 TRP A CA 1706 C C . TRP A 215 ? 0.1690 0.2006 0.1659 0.0112 0.0167 0.0000 297 TRP A C 1707 O O . TRP A 215 ? 0.1861 0.2164 0.1828 0.0123 0.0170 -0.0017 297 TRP A O 1708 C CB . TRP A 215 ? 0.1502 0.1827 0.1448 0.0094 0.0160 0.0016 297 TRP A CB 1709 C CG . TRP A 215 ? 0.2047 0.2390 0.1978 0.0100 0.0165 0.0008 297 TRP A CG 1710 C CD1 . TRP A 215 ? 0.1753 0.2090 0.1673 0.0111 0.0170 -0.0013 297 TRP A CD1 1711 C CD2 . TRP A 215 ? 0.1558 0.1926 0.1481 0.0094 0.0167 0.0022 297 TRP A CD2 1712 N NE1 . TRP A 215 ? 0.1764 0.2124 0.1670 0.0112 0.0175 -0.0014 297 TRP A NE1 1713 C CE2 . TRP A 215 ? 0.1907 0.2288 0.1816 0.0102 0.0173 0.0007 297 TRP A CE2 1714 C CE3 . TRP A 215 ? 0.2007 0.2389 0.1937 0.0083 0.0164 0.0045 297 TRP A CE3 1715 C CZ2 . TRP A 215 ? 0.2003 0.2411 0.1902 0.0100 0.0176 0.0016 297 TRP A CZ2 1716 C CZ3 . TRP A 215 ? 0.2153 0.2559 0.2073 0.0081 0.0167 0.0054 297 TRP A CZ3 1717 C CH2 . TRP A 215 ? 0.1820 0.2241 0.1725 0.0089 0.0173 0.0040 297 TRP A CH2 1718 N N . GLN A 216 ? 0.1638 0.1978 0.1621 0.0107 0.0170 0.0017 298 GLN A N 1719 C CA . GLN A 216 ? 0.1782 0.2138 0.1777 0.0116 0.0176 0.0015 298 GLN A CA 1720 C C . GLN A 216 ? 0.1741 0.2103 0.1763 0.0113 0.0174 0.0028 298 GLN A C 1721 O O . GLN A 216 ? 0.1459 0.1834 0.1493 0.0121 0.0179 0.0027 298 GLN A O 1722 C CB . GLN A 216 ? 0.2198 0.2584 0.2187 0.0115 0.0182 0.0022 298 GLN A CB 1723 C CG . GLN A 216 ? 0.2095 0.2480 0.2057 0.0118 0.0184 0.0008 298 GLN A CG 1724 C CD . GLN A 216 ? 0.3543 0.3958 0.3498 0.0120 0.0191 0.0012 298 GLN A CD 1725 O OE1 . GLN A 216 ? 0.4862 0.5283 0.4807 0.0130 0.0197 -0.0003 298 GLN A OE1 1726 N NE2 . GLN A 216 ? 0.2491 0.2926 0.2452 0.0109 0.0190 0.0034 298 GLN A NE2 1727 N N . GLY A 217 ? 0.1318 0.1672 0.1349 0.0101 0.0168 0.0041 299 GLY A N 1728 C CA . GLY A 217 ? 0.1361 0.1725 0.1417 0.0094 0.0166 0.0055 299 GLY A CA 1729 C C . GLY A 217 ? 0.1994 0.2341 0.2064 0.0097 0.0161 0.0052 299 GLY A C 1730 O O . GLY A 217 ? 0.1566 0.1889 0.1628 0.0097 0.0157 0.0045 299 GLY A O 1731 N N . SER A 218 ? 0.1396 0.1756 0.1486 0.0098 0.0161 0.0057 300 SER A N 1732 C CA . SER A 218 ? 0.0852 0.1198 0.0956 0.0099 0.0155 0.0057 300 SER A CA 1733 C C . SER A 218 ? 0.1434 0.1791 0.1557 0.0084 0.0149 0.0073 300 SER A C 1734 O O . SER A 218 ? 0.1649 0.1998 0.1786 0.0082 0.0144 0.0075 300 SER A O 1735 C CB . SER A 218 ? 0.1183 0.1530 0.1294 0.0116 0.0158 0.0047 300 SER A CB 1736 O OG . SER A 218 ? 0.1522 0.1849 0.1615 0.0129 0.0162 0.0030 300 SER A OG 1737 N N . ASN A 219 ? 0.1235 0.1610 0.1361 0.0072 0.0151 0.0085 301 ASN A N 1738 C CA . ASN A 219 ? 0.1273 0.1649 0.1411 0.0054 0.0145 0.0099 301 ASN A CA 1739 C C . ASN A 219 ? 0.1434 0.1787 0.1561 0.0045 0.0141 0.0101 301 ASN A C 1740 O O . ASN A 219 ? 0.1415 0.1761 0.1523 0.0052 0.0145 0.0094 301 ASN A O 1741 C CB . ASN A 219 ? 0.1481 0.1883 0.1627 0.0045 0.0147 0.0111 301 ASN A CB 1742 C CG . ASN A 219 ? 0.1349 0.1760 0.1477 0.0049 0.0154 0.0111 301 ASN A CG 1743 O OD1 . ASN A 219 ? 0.1334 0.1735 0.1444 0.0060 0.0157 0.0099 301 ASN A OD1 1744 N ND2 . ASN A 219 ? 0.1500 0.1930 0.1633 0.0040 0.0156 0.0124 301 ASN A ND2 1745 N N . ARG A 220 ? 0.1215 0.1558 0.1353 0.0030 0.0134 0.0109 302 ARG A N 1746 C CA . ARG A 220 ? 0.0985 0.1306 0.1114 0.0023 0.0131 0.0111 302 ARG A CA 1747 C C . ARG A 220 ? 0.1208 0.1530 0.1333 0.0010 0.0131 0.0124 302 ARG A C 1748 O O . ARG A 220 ? 0.1343 0.1675 0.1482 -0.0001 0.0129 0.0134 302 ARG A O 1749 C CB . ARG A 220 ? 0.0961 0.1256 0.1098 0.0014 0.0120 0.0108 302 ARG A CB 1750 C CG . ARG A 220 ? 0.1125 0.1403 0.1258 0.0026 0.0116 0.0094 302 ARG A CG 1751 C CD . ARG A 220 ? 0.1036 0.1286 0.1172 0.0017 0.0106 0.0090 302 ARG A CD 1752 N NE . ARG A 220 ? 0.1025 0.1259 0.1156 0.0028 0.0103 0.0078 302 ARG A NE 1753 C CZ . ARG A 220 ? 0.0842 0.1054 0.0956 0.0036 0.0102 0.0067 302 ARG A CZ 1754 N NH1 . ARG A 220 ? 0.0965 0.1169 0.1064 0.0034 0.0103 0.0066 302 ARG A NH1 1755 N NH2 . ARG A 220 ? 0.0998 0.1196 0.1109 0.0045 0.0099 0.0057 302 ARG A NH2 1756 N N . PRO A 221 ? 0.1115 0.1429 0.1223 0.0012 0.0132 0.0124 303 PRO A N 1757 C CA . PRO A 221 ? 0.1198 0.1510 0.1304 0.0000 0.0131 0.0138 303 PRO A CA 1758 C C . PRO A 221 ? 0.1426 0.1716 0.1545 -0.0015 0.0123 0.0146 303 PRO A C 1759 O O . PRO A 221 ? 0.1585 0.1854 0.1706 -0.0014 0.0117 0.0137 303 PRO A O 1760 C CB . PRO A 221 ? 0.1343 0.1652 0.1426 0.0008 0.0133 0.0135 303 PRO A CB 1761 C CG . PRO A 221 ? 0.1551 0.1846 0.1624 0.0019 0.0132 0.0117 303 PRO A CG 1762 C CD . PRO A 221 ? 0.1092 0.1394 0.1180 0.0025 0.0133 0.0110 303 PRO A CD 1763 N N . VAL A 222 ? 0.1074 0.1364 0.1199 -0.0027 0.0121 0.0159 304 VAL A N 1764 C CA . VAL A 222 ? 0.1210 0.1476 0.1346 -0.0041 0.0114 0.0165 304 VAL A CA 1765 C C . VAL A 222 ? 0.1795 0.2049 0.1923 -0.0046 0.0113 0.0177 304 VAL A C 1766 O O . VAL A 222 ? 0.1755 0.2026 0.1878 -0.0046 0.0118 0.0186 304 VAL A O 1767 C CB . VAL A 222 ? 0.1612 0.1885 0.1768 -0.0053 0.0112 0.0169 304 VAL A CB 1768 C CG1 . VAL A 222 ? 0.1588 0.1834 0.1753 -0.0068 0.0105 0.0174 304 VAL A CG1 1769 C CG2 . VAL A 222 ? 0.1404 0.1690 0.1569 -0.0048 0.0112 0.0158 304 VAL A CG2 1770 N N . ILE A 223 ? 0.1246 0.1473 0.1373 -0.0049 0.0108 0.0177 305 ILE A N 1771 C CA . ILE A 223 ? 0.1261 0.1473 0.1383 -0.0054 0.0106 0.0190 305 ILE A CA 1772 C C . ILE A 223 ? 0.1668 0.1856 0.1806 -0.0068 0.0100 0.0193 305 ILE A C 1773 O O . ILE A 223 ? 0.1384 0.1553 0.1529 -0.0070 0.0095 0.0183 305 ILE A O 1774 C CB . ILE A 223 ? 0.1496 0.1696 0.1603 -0.0046 0.0105 0.0188 305 ILE A CB 1775 C CG1 . ILE A 223 ? 0.1173 0.1397 0.1261 -0.0033 0.0111 0.0182 305 ILE A CG1 1776 C CG2 . ILE A 223 ? 0.1706 0.1891 0.1810 -0.0050 0.0102 0.0202 305 ILE A CG2 1777 C CD1 . ILE A 223 ? 0.1592 0.1802 0.1662 -0.0023 0.0106 0.0173 305 ILE A CD1 1778 N N . GLN A 224 ? 0.1395 0.1581 0.1539 -0.0076 0.0100 0.0205 306 GLN A N 1779 C CA . GLN A 224 ? 0.1099 0.1260 0.1257 -0.0089 0.0095 0.0207 306 GLN A CA 1780 C C . GLN A 224 ? 0.1641 0.1779 0.1794 -0.0090 0.0093 0.0218 306 GLN A C 1781 O O . GLN A 224 ? 0.1751 0.1900 0.1897 -0.0088 0.0096 0.0231 306 GLN A O 1782 C CB . GLN A 224 ? 0.1670 0.1845 0.1841 -0.0101 0.0097 0.0213 306 GLN A CB 1783 C CG . GLN A 224 ? 0.1886 0.2081 0.2065 -0.0101 0.0098 0.0202 306 GLN A CG 1784 C CD . GLN A 224 ? 0.3389 0.3604 0.3579 -0.0111 0.0101 0.0208 306 GLN A CD 1785 O OE1 . GLN A 224 ? 0.3573 0.3814 0.3760 -0.0107 0.0107 0.0216 306 GLN A OE1 1786 N NE2 . GLN A 224 ? 0.3464 0.3671 0.3669 -0.0123 0.0096 0.0202 306 GLN A NE2 1787 N N . ILE A 225 ? 0.1450 0.1557 0.1606 -0.0091 0.0087 0.0212 307 ILE A N 1788 C CA . ILE A 225 ? 0.1430 0.1516 0.1582 -0.0088 0.0085 0.0221 307 ILE A CA 1789 C C . ILE A 225 ? 0.1468 0.1523 0.1632 -0.0099 0.0081 0.0223 307 ILE A C 1790 O O . ILE A 225 ? 0.1673 0.1712 0.1846 -0.0106 0.0077 0.0210 307 ILE A O 1791 C CB . ILE A 225 ? 0.1522 0.1595 0.1665 -0.0078 0.0081 0.0213 307 ILE A CB 1792 C CG1 . ILE A 225 ? 0.1446 0.1547 0.1575 -0.0067 0.0086 0.0209 307 ILE A CG1 1793 C CG2 . ILE A 225 ? 0.1221 0.1275 0.1360 -0.0073 0.0079 0.0222 307 ILE A CG2 1794 C CD1 . ILE A 225 ? 0.1056 0.1149 0.1178 -0.0059 0.0083 0.0198 307 ILE A CD1 1795 N N . ASP A 226 ? 0.1700 0.1748 0.1864 -0.0100 0.0082 0.0238 308 ASP A N 1796 C CA . ASP A 226 ? 0.1677 0.1693 0.1851 -0.0108 0.0079 0.0241 308 ASP A CA 1797 C C . ASP A 226 ? 0.1765 0.1758 0.1933 -0.0098 0.0075 0.0242 308 ASP A C 1798 O O . ASP A 226 ? 0.1323 0.1322 0.1483 -0.0090 0.0076 0.0255 308 ASP A O 1799 C CB . ASP A 226 ? 0.1830 0.1852 0.2006 -0.0115 0.0082 0.0259 308 ASP A CB 1800 C CG . ASP A 226 ? 0.1918 0.1906 0.2104 -0.0124 0.0080 0.0264 308 ASP A CG 1801 O OD1 . ASP A 226 ? 0.1954 0.1913 0.2142 -0.0121 0.0076 0.0255 308 ASP A OD1 1802 O OD2 . ASP A 226 ? 0.2238 0.2229 0.2429 -0.0133 0.0083 0.0276 308 ASP A OD2 1803 N N . PRO A 227 ? 0.1655 0.1623 0.1828 -0.0098 0.0070 0.0227 309 PRO A N 1804 C CA . PRO A 227 ? 0.1500 0.1449 0.1669 -0.0087 0.0067 0.0225 309 PRO A CA 1805 C C . PRO A 227 ? 0.1701 0.1622 0.1875 -0.0087 0.0065 0.0235 309 PRO A C 1806 O O . PRO A 227 ? 0.1917 0.1823 0.2089 -0.0077 0.0062 0.0236 309 PRO A O 1807 C CB . PRO A 227 ? 0.1363 0.1296 0.1536 -0.0088 0.0063 0.0204 309 PRO A CB 1808 C CG . PRO A 227 ? 0.1496 0.1426 0.1678 -0.0103 0.0063 0.0197 309 PRO A CG 1809 C CD . PRO A 227 ? 0.1618 0.1577 0.1799 -0.0108 0.0068 0.0210 309 PRO A CD 1810 N N . VAL A 228 ? 0.1323 0.1239 0.1505 -0.0099 0.0067 0.0243 310 VAL A N 1811 C CA . VAL A 228 ? 0.1833 0.1722 0.2019 -0.0099 0.0066 0.0255 310 VAL A CA 1812 C C . VAL A 228 ? 0.2084 0.1991 0.2264 -0.0094 0.0069 0.0277 310 VAL A C 1813 O O . VAL A 228 ? 0.1996 0.1894 0.2174 -0.0084 0.0068 0.0287 310 VAL A O 1814 C CB . VAL A 228 ? 0.1793 0.1663 0.1990 -0.0116 0.0067 0.0251 310 VAL A CB 1815 C CG1 . VAL A 228 ? 0.2244 0.2086 0.2446 -0.0116 0.0067 0.0265 310 VAL A CG1 1816 C CG2 . VAL A 228 ? 0.1881 0.1735 0.2083 -0.0121 0.0064 0.0228 310 VAL A CG2 1817 N N . ALA A 229 ? 0.1802 0.1738 0.1980 -0.0100 0.0074 0.0285 311 ALA A N 1818 C CA . ALA A 229 ? 0.2012 0.1971 0.2183 -0.0095 0.0077 0.0306 311 ALA A CA 1819 C C . ALA A 229 ? 0.1836 0.1820 0.1992 -0.0081 0.0076 0.0305 311 ALA A C 1820 O O . ALA A 229 ? 0.2011 0.2011 0.2158 -0.0073 0.0077 0.0320 311 ALA A O 1821 C CB . ALA A 229 ? 0.2416 0.2399 0.2588 -0.0106 0.0082 0.0313 311 ALA A CB 1822 N N . MET A 230 ? 0.1549 0.1535 0.1703 -0.0078 0.0075 0.0287 312 MET A N 1823 C CA . MET A 230 ? 0.1419 0.1428 0.1558 -0.0066 0.0075 0.0284 312 MET A CA 1824 C C . MET A 230 ? 0.1828 0.1876 0.1957 -0.0065 0.0080 0.0292 312 MET A C 1825 O O . MET A 230 ? 0.1598 0.1665 0.1713 -0.0056 0.0080 0.0301 312 MET A O 1826 C CB . MET A 230 ? 0.1559 0.1558 0.1693 -0.0053 0.0070 0.0289 312 MET A CB 1827 C CG . MET A 230 ? 0.1675 0.1637 0.1819 -0.0052 0.0066 0.0278 312 MET A CG 1828 S SD . MET A 230 ? 0.2092 0.2045 0.2232 -0.0036 0.0061 0.0282 312 MET A SD 1829 C CE . MET A 230 ? 0.2878 0.2832 0.3018 -0.0034 0.0062 0.0307 312 MET A CE 1830 N N . THR A 231 ? 0.1583 0.1643 0.1717 -0.0075 0.0083 0.0288 313 THR A N 1831 C CA . THR A 231 ? 0.1456 0.1552 0.1581 -0.0075 0.0089 0.0293 313 THR A CA 1832 C C . THR A 231 ? 0.1604 0.1714 0.1732 -0.0077 0.0091 0.0276 313 THR A C 1833 O O . THR A 231 ? 0.1789 0.1879 0.1927 -0.0082 0.0088 0.0263 313 THR A O 1834 C CB . THR A 231 ? 0.1743 0.1845 0.1875 -0.0084 0.0093 0.0308 313 THR A CB 1835 O OG1 . THR A 231 ? 0.2097 0.2178 0.2247 -0.0097 0.0092 0.0303 313 THR A OG1 1836 C CG2 . THR A 231 ? 0.2534 0.2626 0.2664 -0.0081 0.0091 0.0327 313 THR A CG2 1837 N N . HIS A 232 ? 0.1451 0.1595 0.1570 -0.0074 0.0096 0.0276 314 HIS A N 1838 C CA . HIS A 232 ? 0.1503 0.1661 0.1623 -0.0074 0.0099 0.0261 314 HIS A CA 1839 C C . HIS A 232 ? 0.1502 0.1695 0.1620 -0.0075 0.0105 0.0265 314 HIS A C 1840 O O . HIS A 232 ? 0.1768 0.1978 0.1878 -0.0072 0.0108 0.0278 314 HIS A O 1841 C CB . HIS A 232 ? 0.1315 0.1476 0.1424 -0.0063 0.0098 0.0248 314 HIS A CB 1842 C CG . HIS A 232 ? 0.1488 0.1676 0.1577 -0.0052 0.0101 0.0250 314 HIS A CG 1843 N ND1 . HIS A 232 ? 0.1646 0.1834 0.1724 -0.0046 0.0099 0.0260 314 HIS A ND1 1844 C CD2 . HIS A 232 ? 0.1216 0.1433 0.1296 -0.0046 0.0107 0.0242 314 HIS A CD2 1845 C CE1 . HIS A 232 ? 0.1904 0.2120 0.1964 -0.0038 0.0103 0.0258 314 HIS A CE1 1846 N NE2 . HIS A 232 ? 0.1508 0.1741 0.1568 -0.0037 0.0108 0.0246 314 HIS A NE2 1847 N N . THR A 233 ? 0.1378 0.1584 0.1503 -0.0077 0.0108 0.0254 315 THR A N 1848 C CA . THR A 233 ? 0.1660 0.1901 0.1781 -0.0074 0.0114 0.0254 315 THR A CA 1849 C C . THR A 233 ? 0.1555 0.1807 0.1671 -0.0065 0.0116 0.0236 315 THR A C 1850 O O . THR A 233 ? 0.1418 0.1650 0.1536 -0.0064 0.0111 0.0226 315 THR A O 1851 C CB . THR A 233 ? 0.2079 0.2328 0.2217 -0.0087 0.0116 0.0259 315 THR A CB 1852 O OG1 . THR A 233 ? 0.2539 0.2771 0.2691 -0.0094 0.0112 0.0248 315 THR A OG1 1853 C CG2 . THR A 233 ? 0.2996 0.3232 0.3139 -0.0096 0.0115 0.0277 315 THR A CG2 1854 N N . SER A 234 ? 0.1366 0.1649 0.1476 -0.0058 0.0122 0.0233 316 SER A N 1855 C CA . SER A 234 ? 0.1249 0.1542 0.1356 -0.0049 0.0124 0.0216 316 SER A CA 1856 C C . SER A 234 ? 0.1592 0.1916 0.1704 -0.0047 0.0130 0.0214 316 SER A C 1857 O O . SER A 234 ? 0.1489 0.1833 0.1600 -0.0049 0.0134 0.0224 316 SER A O 1858 C CB . SER A 234 ? 0.1096 0.1389 0.1183 -0.0036 0.0125 0.0207 316 SER A CB 1859 O OG . SER A 234 ? 0.1351 0.1671 0.1423 -0.0028 0.0130 0.0208 316 SER A OG 1860 N N . GLN A 235 ? 0.1451 0.1779 0.1570 -0.0042 0.0130 0.0201 317 GLN A N 1861 C CA . GLN A 235 ? 0.1137 0.1495 0.1260 -0.0037 0.0136 0.0196 317 GLN A CA 1862 C C . GLN A 235 ? 0.1580 0.1936 0.1704 -0.0027 0.0136 0.0180 317 GLN A C 1863 O O . GLN A 235 ? 0.1393 0.1730 0.1509 -0.0022 0.0133 0.0172 317 GLN A O 1864 C CB . GLN A 235 ? 0.1111 0.1480 0.1253 -0.0049 0.0136 0.0206 317 GLN A CB 1865 C CG . GLN A 235 ? 0.1348 0.1697 0.1507 -0.0060 0.0129 0.0203 317 GLN A CG 1866 C CD . GLN A 235 ? 0.2377 0.2741 0.2555 -0.0073 0.0129 0.0211 317 GLN A CD 1867 O OE1 . GLN A 235 ? 0.1786 0.2141 0.1969 -0.0086 0.0128 0.0223 317 GLN A OE1 1868 N NE2 . GLN A 235 ? 0.1575 0.1961 0.1762 -0.0069 0.0131 0.0204 317 GLN A NE2 1869 N N . TYR A 236 ? 0.1300 0.1676 0.1435 -0.0023 0.0139 0.0175 318 TYR A N 1870 C CA . TYR A 236 ? 0.1294 0.1667 0.1433 -0.0015 0.0137 0.0161 318 TYR A CA 1871 C C . TYR A 236 ? 0.1293 0.1669 0.1455 -0.0025 0.0133 0.0164 318 TYR A C 1872 O O . TYR A 236 ? 0.1398 0.1784 0.1569 -0.0037 0.0133 0.0174 318 TYR A O 1873 C CB . TYR A 236 ? 0.1189 0.1584 0.1321 0.0002 0.0144 0.0151 318 TYR A CB 1874 C CG . TYR A 236 ? 0.1213 0.1605 0.1322 0.0014 0.0149 0.0143 318 TYR A CG 1875 C CD1 . TYR A 236 ? 0.1022 0.1425 0.1118 0.0013 0.0152 0.0150 318 TYR A CD1 1876 C CD2 . TYR A 236 ? 0.1117 0.1495 0.1217 0.0026 0.0148 0.0128 318 TYR A CD2 1877 C CE1 . TYR A 236 ? 0.1414 0.1815 0.1487 0.0024 0.0155 0.0141 318 TYR A CE1 1878 C CE2 . TYR A 236 ? 0.1275 0.1649 0.1353 0.0036 0.0152 0.0118 318 TYR A CE2 1879 C CZ . TYR A 236 ? 0.1419 0.1805 0.1484 0.0035 0.0155 0.0125 318 TYR A CZ 1880 O OH . TYR A 236 ? 0.1456 0.1841 0.1498 0.0044 0.0157 0.0114 318 TYR A OH 1881 N N . ILE A 237 ? 0.1238 0.1606 0.1407 -0.0022 0.0129 0.0154 319 ILE A N 1882 C CA . ILE A 237 ? 0.1117 0.1494 0.1305 -0.0029 0.0125 0.0155 319 ILE A CA 1883 C C . ILE A 237 ? 0.0994 0.1405 0.1187 -0.0021 0.0131 0.0156 319 ILE A C 1884 O O . ILE A 237 ? 0.1563 0.1984 0.1749 -0.0005 0.0136 0.0148 319 ILE A O 1885 C CB . ILE A 237 ? 0.1298 0.1664 0.1491 -0.0023 0.0120 0.0144 319 ILE A CB 1886 C CG1 . ILE A 237 ? 0.1433 0.1766 0.1620 -0.0030 0.0114 0.0142 319 ILE A CG1 1887 C CG2 . ILE A 237 ? 0.1375 0.1754 0.1587 -0.0031 0.0115 0.0145 319 ILE A CG2 1888 C CD1 . ILE A 237 ? 0.1627 0.1949 0.1817 -0.0025 0.0109 0.0132 319 ILE A CD1 1889 N N . CYS A 238 ? 0.1310 0.1736 0.1516 -0.0033 0.0131 0.0166 320 CYS A N 1890 C CA . CYS A 238 ? 0.1790 0.2250 0.2003 -0.0028 0.0137 0.0170 320 CYS A CA 1891 C C . CYS A 238 ? 0.1332 0.1809 0.1556 -0.0018 0.0136 0.0162 320 CYS A C 1892 O O . CYS A 238 ? 0.1372 0.1874 0.1597 -0.0006 0.0142 0.0160 320 CYS A O 1893 C CB . CYS A 238 ? 0.1349 0.1821 0.1576 -0.0046 0.0136 0.0182 320 CYS A CB 1894 S SG . CYS A 238 ? 0.1953 0.2416 0.2169 -0.0057 0.0139 0.0196 320 CYS A SG 1895 N N . SER A 239 ? 0.1348 0.1811 0.1580 -0.0022 0.0128 0.0157 321 SER A N 1896 C CA . SER A 239 ? 0.1458 0.1936 0.1702 -0.0013 0.0126 0.0152 321 SER A CA 1897 C C . SER A 239 ? 0.1162 0.1647 0.1398 0.0010 0.0132 0.0143 321 SER A C 1898 O O . SER A 239 ? 0.1368 0.1834 0.1588 0.0019 0.0135 0.0136 321 SER A O 1899 C CB . SER A 239 ? 0.1072 0.1530 0.1322 -0.0020 0.0116 0.0147 321 SER A CB 1900 O OG . SER A 239 ? 0.0946 0.1421 0.1208 -0.0012 0.0113 0.0144 321 SER A OG 1901 N N . PRO A 240 ? 0.1199 0.1710 0.1446 0.0019 0.0134 0.0142 322 PRO A N 1902 C CA . PRO A 240 ? 0.1416 0.1931 0.1658 0.0042 0.0139 0.0133 322 PRO A CA 1903 C C . PRO A 240 ? 0.1280 0.1775 0.1523 0.0049 0.0133 0.0125 322 PRO A C 1904 O O . PRO A 240 ? 0.1247 0.1738 0.1486 0.0068 0.0136 0.0117 322 PRO A O 1905 C CB . PRO A 240 ? 0.1436 0.1986 0.1694 0.0047 0.0142 0.0137 322 PRO A CB 1906 C CG . PRO A 240 ? 0.1253 0.1812 0.1526 0.0027 0.0134 0.0147 322 PRO A CG 1907 C CD . PRO A 240 ? 0.1333 0.1872 0.1599 0.0009 0.0132 0.0151 322 PRO A CD 1908 N N . VAL A 241 ? 0.1074 0.1555 0.1323 0.0035 0.0124 0.0128 323 VAL A N 1909 C CA . VAL A 241 ? 0.1398 0.1858 0.1645 0.0040 0.0118 0.0121 323 VAL A CA 1910 C C . VAL A 241 ? 0.1282 0.1713 0.1510 0.0044 0.0121 0.0114 323 VAL A C 1911 O O . VAL A 241 ? 0.1428 0.1842 0.1651 0.0030 0.0118 0.0117 323 VAL A O 1912 C CB . VAL A 241 ? 0.1310 0.1766 0.1568 0.0023 0.0108 0.0125 323 VAL A CB 1913 C CG1 . VAL A 241 ? 0.1275 0.1712 0.1531 0.0030 0.0102 0.0119 323 VAL A CG1 1914 C CG2 . VAL A 241 ? 0.1103 0.1590 0.1379 0.0019 0.0105 0.0131 323 VAL A CG2 1915 N N . LEU A 242 ? 0.1057 0.1482 0.1275 0.0063 0.0127 0.0105 324 LEU A N 1916 C CA . LEU A 242 ? 0.1320 0.1721 0.1518 0.0068 0.0131 0.0098 324 LEU A CA 1917 C C . LEU A 242 ? 0.1189 0.1563 0.1384 0.0068 0.0125 0.0093 324 LEU A C 1918 O O . LEU A 242 ? 0.1215 0.1586 0.1418 0.0075 0.0121 0.0091 324 LEU A O 1919 C CB . LEU A 242 ? 0.1147 0.1550 0.1334 0.0088 0.0140 0.0088 324 LEU A CB 1920 C CG . LEU A 242 ? 0.1195 0.1626 0.1384 0.0090 0.0147 0.0092 324 LEU A CG 1921 C CD1 . LEU A 242 ? 0.1286 0.1716 0.1465 0.0110 0.0155 0.0079 324 LEU A CD1 1922 C CD2 . LEU A 242 ? 0.1222 0.1660 0.1405 0.0075 0.0148 0.0100 324 LEU A CD2 1923 N N . THR A 243 ? 0.1287 0.1641 0.1470 0.0060 0.0125 0.0092 325 THR A N 1924 C CA . THR A 243 ? 0.1330 0.1653 0.1509 0.0056 0.0116 0.0087 325 THR A CA 1925 C C . THR A 243 ? 0.1340 0.1628 0.1496 0.0062 0.0115 0.0075 325 THR A C 1926 O O . THR A 243 ? 0.1402 0.1661 0.1551 0.0056 0.0107 0.0070 325 THR A O 1927 C CB . THR A 243 ? 0.1306 0.1624 0.1493 0.0035 0.0108 0.0094 325 THR A CB 1928 O OG1 . THR A 243 ? 0.1016 0.1329 0.1194 0.0025 0.0111 0.0099 325 THR A OG1 1929 C CG2 . THR A 243 ? 0.1064 0.1414 0.1273 0.0027 0.0107 0.0105 325 THR A CG2 1930 N N . ASP A 244 ? 0.0904 0.1196 0.1047 0.0073 0.0124 0.0069 326 ASP A N 1931 C CA . ASP A 244 ? 0.0923 0.1184 0.1045 0.0078 0.0123 0.0056 326 ASP A CA 1932 C C . ASP A 244 ? 0.1330 0.1577 0.1453 0.0095 0.0123 0.0046 326 ASP A C 1933 O O . ASP A 244 ? 0.1328 0.1592 0.1467 0.0101 0.0124 0.0050 326 ASP A O 1934 C CB . ASP A 244 ? 0.1203 0.1473 0.1309 0.0082 0.0131 0.0053 326 ASP A CB 1935 C CG . ASP A 244 ? 0.1762 0.2001 0.1847 0.0082 0.0127 0.0041 326 ASP A CG 1936 O OD1 . ASP A 244 ? 0.1110 0.1320 0.1192 0.0079 0.0119 0.0036 326 ASP A OD1 1937 O OD2 . ASP A 244 ? 0.2194 0.2440 0.2264 0.0084 0.0133 0.0039 326 ASP A OD2 1938 N N . ASN A 245 ? 0.0948 0.1166 0.1054 0.0100 0.0122 0.0033 327 ASN A N 1939 C CA . ASN A 245 ? 0.1192 0.1392 0.1296 0.0115 0.0123 0.0023 327 ASN A CA 1940 C C . ASN A 245 ? 0.1332 0.1510 0.1414 0.0121 0.0126 0.0007 327 ASN A C 1941 O O . ASN A 245 ? 0.1186 0.1347 0.1255 0.0111 0.0121 0.0004 327 ASN A O 1942 C CB . ASN A 245 ? 0.1338 0.1517 0.1448 0.0110 0.0113 0.0025 327 ASN A CB 1943 C CG . ASN A 245 ? 0.1681 0.1839 0.1789 0.0125 0.0114 0.0016 327 ASN A CG 1944 O OD1 . ASN A 245 ? 0.1382 0.1509 0.1476 0.0125 0.0111 0.0006 327 ASN A OD1 1945 N ND2 . ASN A 245 ? 0.1377 0.1552 0.1501 0.0137 0.0117 0.0021 327 ASN A ND2 1946 N N . PRO A 246 ? 0.1391 0.1569 0.1470 0.0138 0.0134 -0.0003 328 PRO A N 1947 C CA . PRO A 246 ? 0.1257 0.1458 0.1352 0.0154 0.0141 0.0001 328 PRO A CA 1948 C C . PRO A 246 ? 0.1460 0.1704 0.1564 0.0152 0.0148 0.0010 328 PRO A C 1949 O O . PRO A 246 ? 0.1597 0.1848 0.1691 0.0140 0.0148 0.0014 328 PRO A O 1950 C CB . PRO A 246 ? 0.1659 0.1843 0.1742 0.0171 0.0148 -0.0017 328 PRO A CB 1951 C CG . PRO A 246 ? 0.1769 0.1941 0.1830 0.0163 0.0148 -0.0028 328 PRO A CG 1952 C CD . PRO A 246 ? 0.1939 0.2096 0.1997 0.0144 0.0137 -0.0020 328 PRO A CD 1953 N N . ARG A 247 ? 0.1300 0.1565 0.1419 0.0159 0.0150 0.0015 329 ARG A N 1954 C CA . ARG A 247 ? 0.1054 0.1355 0.1182 0.0152 0.0153 0.0026 329 ARG A CA 1955 C C . ARG A 247 ? 0.1590 0.1909 0.1730 0.0165 0.0157 0.0026 329 ARG A C 1956 O O . ARG A 247 ? 0.1324 0.1630 0.1471 0.0177 0.0155 0.0022 329 ARG A O 1957 C CB . ARG A 247 ? 0.1049 0.1365 0.1191 0.0136 0.0147 0.0042 329 ARG A CB 1958 C CG . ARG A 247 ? 0.1262 0.1576 0.1422 0.0137 0.0140 0.0048 329 ARG A CG 1959 C CD . ARG A 247 ? 0.1331 0.1665 0.1507 0.0119 0.0133 0.0063 329 ARG A CD 1960 N NE . ARG A 247 ? 0.1022 0.1360 0.1214 0.0122 0.0127 0.0069 329 ARG A NE 1961 C CZ . ARG A 247 ? 0.1357 0.1675 0.1551 0.0119 0.0120 0.0069 329 ARG A CZ 1962 N NH1 . ARG A 247 ? 0.1146 0.1430 0.1322 0.0110 0.0115 0.0062 329 ARG A NH1 1963 N NH2 . ARG A 247 ? 0.1042 0.1370 0.1251 0.0122 0.0114 0.0075 329 ARG A NH2 1964 N N . PRO A 248 ? 0.1519 0.1868 0.1662 0.0163 0.0163 0.0030 330 PRO A N 1965 C CA . PRO A 248 ? 0.1622 0.1993 0.1779 0.0174 0.0167 0.0032 330 PRO A CA 1966 C C . PRO A 248 ? 0.1685 0.2073 0.1865 0.0169 0.0159 0.0046 330 PRO A C 1967 O O . PRO A 248 ? 0.1733 0.2116 0.1916 0.0155 0.0152 0.0054 330 PRO A O 1968 C CB . PRO A 248 ? 0.1638 0.2039 0.1792 0.0169 0.0173 0.0036 330 PRO A CB 1969 C CG . PRO A 248 ? 0.1945 0.2331 0.2077 0.0161 0.0175 0.0030 330 PRO A CG 1970 C CD . PRO A 248 ? 0.1472 0.1835 0.1604 0.0152 0.0166 0.0033 330 PRO A CD 1971 N N . ASN A 249 ? 0.1417 0.1823 0.1610 0.0180 0.0161 0.0049 331 ASN A N 1972 C CA . ASN A 249 ? 0.1408 0.1836 0.1622 0.0173 0.0155 0.0063 331 ASN A CA 1973 C C . ASN A 249 ? 0.1520 0.1977 0.1741 0.0155 0.0154 0.0075 331 ASN A C 1974 O O . ASN A 249 ? 0.1588 0.2055 0.1799 0.0151 0.0161 0.0073 331 ASN A O 1975 C CB . ASN A 249 ? 0.1768 0.2211 0.1996 0.0190 0.0157 0.0063 331 ASN A CB 1976 C CG . ASN A 249 ? 0.2272 0.2685 0.2499 0.0206 0.0155 0.0055 331 ASN A CG 1977 O OD1 . ASN A 249 ? 0.2202 0.2596 0.2429 0.0201 0.0147 0.0058 331 ASN A OD1 1978 N ND2 . ASN A 249 ? 0.2506 0.2915 0.2732 0.0224 0.0162 0.0046 331 ASN A ND2 1979 N N . ASP A 250 ? 0.1004 0.1474 0.1240 0.0142 0.0146 0.0086 332 ASP A N 1980 C CA . ASP A 250 ? 0.1272 0.1764 0.1514 0.0122 0.0144 0.0097 332 ASP A CA 1981 C C . ASP A 250 ? 0.1602 0.2129 0.1852 0.0127 0.0151 0.0101 332 ASP A C 1982 O O . ASP A 250 ? 0.1706 0.2250 0.1970 0.0137 0.0151 0.0103 332 ASP A O 1983 C CB . ASP A 250 ? 0.1719 0.2217 0.1975 0.0108 0.0134 0.0106 332 ASP A CB 1984 C CG . ASP A 250 ? 0.1856 0.2323 0.2104 0.0099 0.0127 0.0104 332 ASP A CG 1985 O OD1 . ASP A 250 ? 0.1576 0.2021 0.1809 0.0100 0.0131 0.0097 332 ASP A OD1 1986 O OD2 . ASP A 250 ? 0.1733 0.2201 0.1992 0.0091 0.0118 0.0109 332 ASP A OD2 1987 N N . PRO A 251 ? 0.1207 0.1743 0.1449 0.0119 0.0157 0.0104 333 PRO A N 1988 C CA . PRO A 251 ? 0.1597 0.2170 0.1849 0.0119 0.0163 0.0110 333 PRO A CA 1989 C C . PRO A 251 ? 0.1571 0.2165 0.1840 0.0100 0.0156 0.0124 333 PRO A C 1990 O O . PRO A 251 ? 0.1259 0.1841 0.1534 0.0089 0.0147 0.0127 333 PRO A O 1991 C CB . PRO A 251 ? 0.1565 0.2135 0.1799 0.0116 0.0170 0.0108 333 PRO A CB 1992 C CG . PRO A 251 ? 0.1346 0.1887 0.1569 0.0102 0.0164 0.0109 333 PRO A CG 1993 C CD . PRO A 251 ? 0.0873 0.1389 0.1097 0.0109 0.0158 0.0102 333 PRO A CD 1994 N N . ASN A 252 ? 0.1284 0.1909 0.1559 0.0094 0.0161 0.0132 334 ASN A N 1995 C CA . ASN A 252 ? 0.1174 0.1819 0.1465 0.0074 0.0156 0.0145 334 ASN A CA 1996 C C . ASN A 252 ? 0.1150 0.1794 0.1434 0.0056 0.0158 0.0152 334 ASN A C 1997 O O . ASN A 252 ? 0.1355 0.2007 0.1650 0.0037 0.0153 0.0161 334 ASN A O 1998 C CB . ASN A 252 ? 0.1484 0.2168 0.1794 0.0079 0.0158 0.0150 334 ASN A CB 1999 C CG . ASN A 252 ? 0.2173 0.2860 0.2494 0.0091 0.0153 0.0148 334 ASN A CG 2000 O OD1 . ASN A 252 ? 0.1868 0.2529 0.2186 0.0092 0.0146 0.0143 334 ASN A OD1 2001 N ND2 . ASN A 252 ? 0.1502 0.2222 0.1838 0.0101 0.0156 0.0151 334 ASN A ND2 2002 N N . ILE A 253 ? 0.1338 0.1970 0.1603 0.0063 0.0165 0.0147 335 ILE A N 2003 C CA . ILE A 253 ? 0.1501 0.2127 0.1756 0.0048 0.0166 0.0154 335 ILE A CA 2004 C C . ILE A 253 ? 0.1588 0.2179 0.1823 0.0052 0.0166 0.0145 335 ILE A C 2005 O O . ILE A 253 ? 0.1363 0.1947 0.1585 0.0069 0.0171 0.0134 335 ILE A O 2006 C CB . ILE A 253 ? 0.1446 0.2101 0.1698 0.0052 0.0176 0.0158 335 ILE A CB 2007 C CG1 . ILE A 253 ? 0.1610 0.2302 0.1883 0.0050 0.0178 0.0166 335 ILE A CG1 2008 C CG2 . ILE A 253 ? 0.1347 0.1996 0.1590 0.0035 0.0177 0.0168 335 ILE A CG2 2009 C CD1 . ILE A 253 ? 0.1674 0.2397 0.1945 0.0052 0.0188 0.0172 335 ILE A CD1 2010 N N . GLY A 254 ? 0.1316 0.1885 0.1548 0.0035 0.0159 0.0150 336 GLY A N 2011 C CA . GLY A 254 ? 0.1341 0.1879 0.1555 0.0037 0.0159 0.0144 336 GLY A CA 2012 C C . GLY A 254 ? 0.1650 0.2190 0.1849 0.0033 0.0164 0.0149 336 GLY A C 2013 O O . GLY A 254 ? 0.1440 0.2008 0.1641 0.0033 0.0170 0.0155 336 GLY A O 2014 N N . LYS A 255 ? 0.1285 0.1799 0.1468 0.0029 0.0162 0.0147 337 LYS A N 2015 C CA . LYS A 255 ? 0.1211 0.1726 0.1378 0.0026 0.0166 0.0152 337 LYS A CA 2016 C C . LYS A 255 ? 0.2078 0.2569 0.2244 0.0010 0.0160 0.0161 337 LYS A C 2017 O O . LYS A 255 ? 0.1646 0.2110 0.1807 0.0010 0.0155 0.0154 337 LYS A O 2018 C CB . LYS A 255 ? 0.1480 0.1989 0.1627 0.0043 0.0172 0.0139 337 LYS A CB 2019 C CG . LYS A 255 ? 0.1768 0.2302 0.1915 0.0059 0.0180 0.0131 337 LYS A CG 2020 C CD . LYS A 255 ? 0.2220 0.2783 0.2363 0.0057 0.0187 0.0140 337 LYS A CD 2021 C CE . LYS A 255 ? 0.1713 0.2270 0.1831 0.0061 0.0191 0.0135 337 LYS A CE 2022 N NZ . LYS A 255 ? 0.1928 0.2515 0.2043 0.0058 0.0198 0.0146 337 LYS A NZ 2023 N N . CYS A 256 ? 0.1274 0.1773 0.1442 -0.0003 0.0160 0.0175 338 CYS A N 2024 C CA . CYS A 256 ? 0.1648 0.2122 0.1816 -0.0019 0.0154 0.0184 338 CYS A CA 2025 C C . CYS A 256 ? 0.2003 0.2464 0.2149 -0.0016 0.0156 0.0185 338 CYS A C 2026 O O . CYS A 256 ? 0.1517 0.1952 0.1660 -0.0023 0.0150 0.0188 338 CYS A O 2027 C CB . CYS A 256 ? 0.1792 0.2278 0.1973 -0.0035 0.0154 0.0200 338 CYS A CB 2028 S SG . CYS A 256 ? 0.2208 0.2713 0.2416 -0.0044 0.0151 0.0201 338 CYS A SG 2029 N N . ASN A 257 ? 0.1319 0.1800 0.1452 -0.0006 0.0163 0.0184 339 ASN A N 2030 C CA . ASN A 257 ? 0.1675 0.2151 0.1789 -0.0005 0.0164 0.0189 339 ASN A CA 2031 C C . ASN A 257 ? 0.1541 0.2021 0.1633 0.0012 0.0169 0.0174 339 ASN A C 2032 O O . ASN A 257 ? 0.1564 0.2050 0.1640 0.0014 0.0171 0.0177 339 ASN A O 2033 C CB . ASN A 257 ? 0.1585 0.2080 0.1701 -0.0015 0.0168 0.0206 339 ASN A CB 2034 C CG . ASN A 257 ? 0.2149 0.2632 0.2283 -0.0033 0.0162 0.0220 339 ASN A CG 2035 O OD1 . ASN A 257 ? 0.2037 0.2492 0.2170 -0.0040 0.0156 0.0224 339 ASN A OD1 2036 N ND2 . ASN A 257 ? 0.2264 0.2768 0.2415 -0.0040 0.0164 0.0227 339 ASN A ND2 2037 N N . ASP A 258 ? 0.1544 0.2021 0.1638 0.0023 0.0170 0.0158 340 ASP A N 2038 C CA . ASP A 258 ? 0.1451 0.1928 0.1526 0.0039 0.0174 0.0142 340 ASP A CA 2039 C C . ASP A 258 ? 0.1315 0.1776 0.1395 0.0049 0.0172 0.0126 340 ASP A C 2040 O O . ASP A 258 ? 0.1327 0.1787 0.1427 0.0045 0.0169 0.0129 340 ASP A O 2041 C CB . ASP A 258 ? 0.1605 0.2114 0.1676 0.0048 0.0183 0.0140 340 ASP A CB 2042 C CG . ASP A 258 ? 0.2630 0.3148 0.2679 0.0048 0.0186 0.0144 340 ASP A CG 2043 O OD1 . ASP A 258 ? 0.1769 0.2270 0.1803 0.0048 0.0182 0.0140 340 ASP A OD1 2044 O OD2 . ASP A 258 ? 0.2277 0.2823 0.2327 0.0048 0.0192 0.0152 340 ASP A OD2 2045 N N . PRO A 259 ? 0.1541 0.1990 0.1604 0.0061 0.0174 0.0110 341 PRO A N 2046 C CA . PRO A 259 ? 0.1754 0.2187 0.1822 0.0071 0.0173 0.0095 341 PRO A CA 2047 C C . PRO A 259 ? 0.1839 0.2290 0.1921 0.0081 0.0177 0.0090 341 PRO A C 2048 O O . PRO A 259 ? 0.1781 0.2254 0.1858 0.0088 0.0184 0.0089 341 PRO A O 2049 C CB . PRO A 259 ? 0.1628 0.2048 0.1672 0.0082 0.0175 0.0078 341 PRO A CB 2050 C CG . PRO A 259 ? 0.1837 0.2276 0.1865 0.0082 0.0179 0.0082 341 PRO A CG 2051 C CD . PRO A 259 ? 0.1528 0.1976 0.1566 0.0066 0.0176 0.0104 341 PRO A CD 2052 N N . TYR A 260 ? 0.1296 0.1738 0.1394 0.0082 0.0173 0.0089 342 TYR A N 2053 C CA . TYR A 260 ? 0.1324 0.1779 0.1434 0.0095 0.0177 0.0082 342 TYR A CA 2054 C C . TYR A 260 ? 0.1510 0.1947 0.1606 0.0112 0.0180 0.0062 342 TYR A C 2055 O O . TYR A 260 ? 0.1596 0.2006 0.1687 0.0114 0.0176 0.0055 342 TYR A O 2056 C CB . TYR A 260 ? 0.1384 0.1838 0.1516 0.0090 0.0171 0.0089 342 TYR A CB 2057 C CG . TYR A 260 ? 0.1283 0.1758 0.1429 0.0102 0.0175 0.0086 342 TYR A CG 2058 C CD1 . TYR A 260 ? 0.1510 0.1971 0.1656 0.0119 0.0176 0.0072 342 TYR A CD1 2059 C CD2 . TYR A 260 ? 0.1714 0.2221 0.1873 0.0098 0.0178 0.0096 342 TYR A CD2 2060 C CE1 . TYR A 260 ? 0.2241 0.2720 0.2400 0.0131 0.0179 0.0070 342 TYR A CE1 2061 C CE2 . TYR A 260 ? 0.1840 0.2367 0.2012 0.0110 0.0182 0.0094 342 TYR A CE2 2062 C CZ . TYR A 260 ? 0.2152 0.2664 0.2323 0.0127 0.0182 0.0081 342 TYR A CZ 2063 O OH . TYR A 260 ? 0.2424 0.2955 0.2608 0.0140 0.0186 0.0079 342 TYR A OH 2064 N N . PRO A 261 ? 0.1271 0.1723 0.1362 0.0125 0.0188 0.0053 343 PRO A N 2065 C CA . PRO A 261 ? 0.1428 0.1862 0.1501 0.0140 0.0193 0.0033 343 PRO A CA 2066 C C . PRO A 261 ? 0.1428 0.1847 0.1512 0.0155 0.0192 0.0022 343 PRO A C 2067 O O . PRO A 261 ? 0.1675 0.2104 0.1780 0.0155 0.0190 0.0030 343 PRO A O 2068 C CB . PRO A 261 ? 0.1640 0.2100 0.1705 0.0146 0.0202 0.0030 343 PRO A CB 2069 C CG . PRO A 261 ? 0.1648 0.2139 0.1736 0.0142 0.0203 0.0045 343 PRO A CG 2070 C CD . PRO A 261 ? 0.1583 0.2069 0.1682 0.0125 0.0194 0.0062 343 PRO A CD 2071 N N . GLY A 262 ? 0.1773 0.2168 0.1842 0.0166 0.0194 0.0003 344 GLY A N 2072 C CA . GLY A 262 ? 0.1492 0.1868 0.1569 0.0180 0.0195 -0.0009 344 GLY A CA 2073 C C . GLY A 262 ? 0.1917 0.2253 0.1981 0.0182 0.0190 -0.0022 344 GLY A C 2074 O O . GLY A 262 ? 0.1755 0.2070 0.1816 0.0195 0.0192 -0.0037 344 GLY A O 2075 N N . ASN A 263 ? 0.1706 0.2033 0.1764 0.0169 0.0184 -0.0015 345 ASN A N 2076 C CA . ASN A 263 ? 0.1316 0.1607 0.1361 0.0169 0.0179 -0.0026 345 ASN A CA 2077 C C . ASN A 263 ? 0.1503 0.1792 0.1528 0.0158 0.0177 -0.0027 345 ASN A C 2078 O O . ASN A 263 ? 0.1758 0.2065 0.1786 0.0145 0.0175 -0.0012 345 ASN A O 2079 C CB . ASN A 263 ? 0.1454 0.1733 0.1516 0.0165 0.0171 -0.0017 345 ASN A CB 2080 C CG . ASN A 263 ? 0.2060 0.2332 0.2138 0.0178 0.0171 -0.0019 345 ASN A CG 2081 O OD1 . ASN A 263 ? 0.2087 0.2383 0.2183 0.0179 0.0172 -0.0008 345 ASN A OD1 2082 N ND2 . ASN A 263 ? 0.2094 0.2332 0.2166 0.0186 0.0169 -0.0032 345 ASN A ND2 2083 N N . ASN A 264 ? 0.1670 0.1938 0.1675 0.0162 0.0178 -0.0045 346 ASN A N 2084 C CA . ASN A 264 ? 0.2101 0.2370 0.2085 0.0152 0.0176 -0.0048 346 ASN A CA 2085 C C . ASN A 264 ? 0.1734 0.1970 0.1707 0.0149 0.0169 -0.0057 346 ASN A C 2086 O O . ASN A 264 ? 0.1534 0.1742 0.1509 0.0156 0.0168 -0.0069 346 ASN A O 2087 C CB . ASN A 264 ? 0.2393 0.2671 0.2359 0.0157 0.0183 -0.0060 346 ASN A CB 2088 C CG . ASN A 264 ? 0.3148 0.3459 0.3125 0.0162 0.0190 -0.0052 346 ASN A CG 2089 O OD1 . ASN A 264 ? 0.2744 0.3081 0.2724 0.0153 0.0190 -0.0035 346 ASN A OD1 2090 N ND2 . ASN A 264 ? 0.4101 0.4410 0.4083 0.0175 0.0196 -0.0063 346 ASN A ND2 2091 N N . ASN A 265 ? 0.1382 0.1621 0.1342 0.0138 0.0165 -0.0052 347 ASN A N 2092 C CA . ASN A 265 ? 0.1394 0.1606 0.1338 0.0134 0.0158 -0.0064 347 ASN A CA 2093 C C . ASN A 265 ? 0.1392 0.1572 0.1350 0.0131 0.0150 -0.0062 347 ASN A C 2094 O O . ASN A 265 ? 0.1802 0.1951 0.1752 0.0131 0.0145 -0.0077 347 ASN A O 2095 C CB . ASN A 265 ? 0.1749 0.1947 0.1674 0.0139 0.0160 -0.0087 347 ASN A CB 2096 C CG . ASN A 265 ? 0.2454 0.2679 0.2366 0.0139 0.0166 -0.0088 347 ASN A CG 2097 O OD1 . ASN A 265 ? 0.2443 0.2694 0.2356 0.0132 0.0166 -0.0070 347 ASN A OD1 2098 N ND2 . ASN A 265 ? 0.3389 0.3604 0.3286 0.0145 0.0169 -0.0107 347 ASN A ND2 2099 N N . ASN A 266 ? 0.1491 0.1678 0.1470 0.0127 0.0147 -0.0045 348 ASN A N 2100 C CA . ASN A 266 ? 0.1296 0.1455 0.1287 0.0121 0.0138 -0.0041 348 ASN A CA 2101 C C . ASN A 266 ? 0.1787 0.1962 0.1797 0.0112 0.0135 -0.0021 348 ASN A C 2102 O O . ASN A 266 ? 0.1398 0.1602 0.1411 0.0109 0.0140 -0.0010 348 ASN A O 2103 C CB . ASN A 266 ? 0.1218 0.1361 0.1217 0.0135 0.0141 -0.0051 348 ASN A CB 2104 C CG . ASN A 266 ? 0.2444 0.2550 0.2446 0.0129 0.0132 -0.0054 348 ASN A CG 2105 O OD1 . ASN A 266 ? 0.2520 0.2616 0.2520 0.0115 0.0123 -0.0048 348 ASN A OD1 2106 N ND2 . ASN A 266 ? 0.2849 0.2934 0.2853 0.0141 0.0134 -0.0064 348 ASN A ND2 2107 N N . GLY A 267 ? 0.1293 0.1449 0.1314 0.0105 0.0126 -0.0016 349 GLY A N 2108 C CA . GLY A 267 ? 0.1166 0.1334 0.1203 0.0095 0.0122 0.0001 349 GLY A CA 2109 C C . GLY A 267 ? 0.1494 0.1635 0.1536 0.0086 0.0112 0.0002 349 GLY A C 2110 O O . GLY A 267 ? 0.1314 0.1428 0.1347 0.0089 0.0109 -0.0009 349 GLY A O 2111 N N . VAL A 268 ? 0.1137 0.1284 0.1192 0.0076 0.0107 0.0015 350 VAL A N 2112 C CA . VAL A 268 ? 0.0862 0.0987 0.0920 0.0066 0.0098 0.0016 350 VAL A CA 2113 C C . VAL A 268 ? 0.1207 0.1340 0.1271 0.0053 0.0094 0.0028 350 VAL A C 2114 O O . VAL A 268 ? 0.1232 0.1389 0.1305 0.0050 0.0098 0.0038 350 VAL A O 2115 C CB . VAL A 268 ? 0.1034 0.1154 0.1105 0.0071 0.0095 0.0017 350 VAL A CB 2116 C CG1 . VAL A 268 ? 0.1032 0.1178 0.1122 0.0069 0.0096 0.0029 350 VAL A CG1 2117 C CG2 . VAL A 268 ? 0.0906 0.1000 0.0976 0.0063 0.0086 0.0015 350 VAL A CG2 2118 N N . LYS A 269 ? 0.1116 0.1230 0.1176 0.0044 0.0086 0.0027 351 LYS A N 2119 C CA . LYS A 269 ? 0.0967 0.1084 0.1035 0.0031 0.0083 0.0038 351 LYS A CA 2120 C C . LYS A 269 ? 0.1057 0.1183 0.1143 0.0027 0.0081 0.0044 351 LYS A C 2121 O O . LYS A 269 ? 0.1148 0.1266 0.1238 0.0031 0.0078 0.0040 351 LYS A O 2122 C CB . LYS A 269 ? 0.0957 0.1051 0.1019 0.0024 0.0075 0.0034 351 LYS A CB 2123 C CG . LYS A 269 ? 0.0734 0.0827 0.0805 0.0012 0.0071 0.0043 351 LYS A CG 2124 C CD . LYS A 269 ? 0.1122 0.1193 0.1186 0.0008 0.0065 0.0038 351 LYS A CD 2125 C CE . LYS A 269 ? 0.1298 0.1365 0.1371 -0.0003 0.0061 0.0045 351 LYS A CE 2126 N NZ . LYS A 269 ? 0.0909 0.0986 0.0985 -0.0006 0.0064 0.0056 351 LYS A NZ 2127 N N . GLY A 270 ? 0.1030 0.1173 0.1127 0.0019 0.0082 0.0055 352 GLY A N 2128 C CA . GLY A 270 ? 0.1107 0.1262 0.1221 0.0013 0.0080 0.0062 352 GLY A CA 2129 C C . GLY A 270 ? 0.1213 0.1372 0.1337 -0.0001 0.0078 0.0071 352 GLY A C 2130 O O . GLY A 270 ? 0.1279 0.1426 0.1395 -0.0006 0.0077 0.0073 352 GLY A O 2131 N N . PHE A 271 ? 0.1167 0.1342 0.1308 -0.0009 0.0076 0.0077 353 PHE A N 2132 C CA . PHE A 271 ? 0.0896 0.1069 0.1045 -0.0024 0.0074 0.0085 353 PHE A CA 2133 C C . PHE A 271 ? 0.1073 0.1274 0.1241 -0.0031 0.0075 0.0093 353 PHE A C 2134 O O . PHE A 271 ? 0.1277 0.1498 0.1452 -0.0023 0.0077 0.0092 353 PHE A O 2135 C CB . PHE A 271 ? 0.0994 0.1143 0.1143 -0.0032 0.0065 0.0078 353 PHE A CB 2136 C CG . PHE A 271 ? 0.1014 0.1170 0.1173 -0.0035 0.0060 0.0075 353 PHE A CG 2137 C CD1 . PHE A 271 ? 0.1275 0.1429 0.1428 -0.0024 0.0059 0.0068 353 PHE A CD1 2138 C CD2 . PHE A 271 ? 0.1073 0.1238 0.1246 -0.0048 0.0057 0.0079 353 PHE A CD2 2139 C CE1 . PHE A 271 ? 0.1221 0.1384 0.1383 -0.0026 0.0054 0.0067 353 PHE A CE1 2140 C CE2 . PHE A 271 ? 0.1213 0.1388 0.1395 -0.0051 0.0052 0.0076 353 PHE A CE2 2141 C CZ . PHE A 271 ? 0.1418 0.1594 0.1594 -0.0040 0.0050 0.0070 353 PHE A CZ 2142 N N . SER A 272 ? 0.0873 0.1075 0.1051 -0.0046 0.0074 0.0101 354 SER A N 2143 C CA . SER A 272 ? 0.0909 0.1136 0.1107 -0.0056 0.0074 0.0108 354 SER A CA 2144 C C . SER A 272 ? 0.1141 0.1353 0.1347 -0.0075 0.0069 0.0111 354 SER A C 2145 O O . SER A 272 ? 0.1251 0.1438 0.1449 -0.0077 0.0069 0.0111 354 SER A O 2146 C CB . SER A 272 ? 0.1958 0.2217 0.2163 -0.0054 0.0083 0.0119 354 SER A CB 2147 O OG . SER A 272 ? 0.1444 0.1699 0.1647 -0.0060 0.0087 0.0128 354 SER A OG 2148 N N . TYR A 273 ? 0.0853 0.1081 0.1077 -0.0087 0.0066 0.0114 355 TYR A N 2149 C CA . TYR A 273 ? 0.0792 0.1005 0.1021 -0.0104 0.0062 0.0114 355 TYR A CA 2150 C C . TYR A 273 ? 0.1272 0.1506 0.1509 -0.0110 0.0066 0.0122 355 TYR A C 2151 O O . TYR A 273 ? 0.1320 0.1579 0.1566 -0.0110 0.0064 0.0121 355 TYR A O 2152 C CB . TYR A 273 ? 0.0760 0.0962 0.0994 -0.0114 0.0053 0.0104 355 TYR A CB 2153 C CG . TYR A 273 ? 0.0846 0.1018 0.1069 -0.0110 0.0050 0.0095 355 TYR A CG 2154 C CD1 . TYR A 273 ? 0.1084 0.1226 0.1304 -0.0119 0.0048 0.0094 355 TYR A CD1 2155 C CD2 . TYR A 273 ? 0.0940 0.1109 0.1151 -0.0097 0.0047 0.0086 355 TYR A CD2 2156 C CE1 . TYR A 273 ? 0.0872 0.0986 0.1079 -0.0113 0.0045 0.0084 355 TYR A CE1 2157 C CE2 . TYR A 273 ? 0.0888 0.1028 0.1086 -0.0093 0.0044 0.0076 355 TYR A CE2 2158 C CZ . TYR A 273 ? 0.1057 0.1171 0.1253 -0.0101 0.0042 0.0075 355 TYR A CZ 2159 O OH . TYR A 273 ? 0.1227 0.1315 0.1411 -0.0096 0.0039 0.0066 355 TYR A OH 2160 N N . LEU A 274 ? 0.1094 0.1319 0.1328 -0.0114 0.0070 0.0131 356 LEU A N 2161 C CA . LEU A 274 ? 0.1244 0.1491 0.1485 -0.0119 0.0074 0.0140 356 LEU A CA 2162 C C . LEU A 274 ? 0.1239 0.1471 0.1488 -0.0137 0.0071 0.0141 356 LEU A C 2163 O O . LEU A 274 ? 0.1634 0.1840 0.1878 -0.0142 0.0071 0.0145 356 LEU A O 2164 C CB . LEU A 274 ? 0.1206 0.1457 0.1436 -0.0109 0.0082 0.0150 356 LEU A CB 2165 C CG . LEU A 274 ? 0.1187 0.1448 0.1406 -0.0091 0.0086 0.0146 356 LEU A CG 2166 C CD1 . LEU A 274 ? 0.1418 0.1680 0.1624 -0.0082 0.0093 0.0153 356 LEU A CD1 2167 C CD2 . LEU A 274 ? 0.1203 0.1497 0.1430 -0.0083 0.0088 0.0144 356 LEU A CD2 2168 N N . ASP A 275 ? 0.1265 0.1513 0.1527 -0.0146 0.0068 0.0138 357 ASP A N 2169 C CA . ASP A 275 ? 0.1800 0.2033 0.2071 -0.0164 0.0064 0.0135 357 ASP A CA 2170 C C . ASP A 275 ? 0.1412 0.1674 0.1698 -0.0174 0.0064 0.0137 357 ASP A C 2171 O O . ASP A 275 ? 0.1240 0.1504 0.1534 -0.0183 0.0057 0.0128 357 ASP A O 2172 C CB . ASP A 275 ? 0.1685 0.1895 0.1953 -0.0168 0.0056 0.0120 357 ASP A CB 2173 C CG . ASP A 275 ? 0.1804 0.1991 0.2078 -0.0186 0.0052 0.0114 357 ASP A CG 2174 O OD1 . ASP A 275 ? 0.1984 0.2159 0.2260 -0.0194 0.0056 0.0122 357 ASP A OD1 2175 O OD2 . ASP A 275 ? 0.2037 0.2218 0.2314 -0.0192 0.0046 0.0101 357 ASP A OD2 2176 N N . GLY A 276 ? 0.1665 0.1950 0.1954 -0.0171 0.0070 0.0148 358 GLY A N 2177 C CA . GLY A 276 ? 0.1542 0.1857 0.1846 -0.0179 0.0071 0.0152 358 GLY A CA 2178 C C . GLY A 276 ? 0.1583 0.1924 0.1895 -0.0174 0.0066 0.0145 358 GLY A C 2179 O O . GLY A 276 ? 0.1339 0.1693 0.1644 -0.0157 0.0067 0.0144 358 GLY A O 2180 N N . ALA A 277 ? 0.1445 0.1793 0.1769 -0.0188 0.0060 0.0139 359 ALA A N 2181 C CA . ALA A 277 ? 0.1468 0.1842 0.1800 -0.0184 0.0054 0.0133 359 ALA A CA 2182 C C . ALA A 277 ? 0.1516 0.1874 0.1839 -0.0177 0.0048 0.0122 359 ALA A C 2183 O O . ALA A 277 ? 0.1978 0.2356 0.2303 -0.0171 0.0043 0.0118 359 ALA A O 2184 C CB . ALA A 277 ? 0.1746 0.2133 0.2094 -0.0202 0.0049 0.0131 359 ALA A CB 2185 N N . ASN A 278 ? 0.1193 0.1514 0.1504 -0.0179 0.0047 0.0117 360 ASN A N 2186 C CA . ASN A 278 ? 0.0976 0.1279 0.1278 -0.0173 0.0042 0.0107 360 ASN A CA 2187 C C . ASN A 278 ? 0.1679 0.1977 0.1968 -0.0155 0.0047 0.0110 360 ASN A C 2188 O O . ASN A 278 ? 0.1421 0.1695 0.1700 -0.0151 0.0044 0.0104 360 ASN A O 2189 C CB . ASN A 278 ? 0.1223 0.1489 0.1522 -0.0187 0.0039 0.0098 360 ASN A CB 2190 C CG . ASN A 278 ? 0.1382 0.1631 0.1673 -0.0184 0.0032 0.0085 360 ASN A CG 2191 O OD1 . ASN A 278 ? 0.1456 0.1725 0.1749 -0.0180 0.0026 0.0080 360 ASN A OD1 2192 N ND2 . ASN A 278 ? 0.1401 0.1615 0.1682 -0.0186 0.0032 0.0080 360 ASN A ND2 2193 N N . THR A 279 ? 0.1140 0.1461 0.1429 -0.0144 0.0053 0.0120 361 THR A N 2194 C CA . THR A 279 ? 0.0941 0.1259 0.1218 -0.0126 0.0059 0.0123 361 THR A CA 2195 C C . THR A 279 ? 0.1455 0.1785 0.1730 -0.0112 0.0056 0.0118 361 THR A C 2196 O O . THR A 279 ? 0.1310 0.1669 0.1595 -0.0108 0.0055 0.0119 361 THR A O 2197 C CB . THR A 279 ? 0.1280 0.1617 0.1557 -0.0119 0.0068 0.0134 361 THR A CB 2198 O OG1 . THR A 279 ? 0.1139 0.1461 0.1416 -0.0131 0.0071 0.0140 361 THR A OG1 2199 C CG2 . THR A 279 ? 0.1015 0.1352 0.1279 -0.0100 0.0074 0.0135 361 THR A CG2 2200 N N . TRP A 280 ? 0.1196 0.1506 0.1460 -0.0103 0.0056 0.0113 362 TRP A N 2201 C CA . TRP A 280 ? 0.1159 0.1480 0.1421 -0.0088 0.0055 0.0110 362 TRP A CA 2202 C C . TRP A 280 ? 0.1046 0.1357 0.1296 -0.0073 0.0063 0.0112 362 TRP A C 2203 O O . TRP A 280 ? 0.0973 0.1259 0.1214 -0.0076 0.0065 0.0111 362 TRP A O 2204 C CB . TRP A 280 ? 0.1058 0.1364 0.1318 -0.0094 0.0046 0.0101 362 TRP A CB 2205 C CG . TRP A 280 ? 0.1245 0.1566 0.1515 -0.0105 0.0038 0.0098 362 TRP A CG 2206 C CD1 . TRP A 280 ? 0.1245 0.1561 0.1521 -0.0123 0.0035 0.0095 362 TRP A CD1 2207 C CD2 . TRP A 280 ? 0.1116 0.1459 0.1391 -0.0100 0.0033 0.0096 362 TRP A CD2 2208 N NE1 . TRP A 280 ? 0.1113 0.1448 0.1398 -0.0129 0.0027 0.0091 362 TRP A NE1 2209 C CE2 . TRP A 280 ? 0.1214 0.1566 0.1497 -0.0115 0.0026 0.0092 362 TRP A CE2 2210 C CE3 . TRP A 280 ? 0.1017 0.1371 0.1290 -0.0082 0.0033 0.0097 362 TRP A CE3 2211 C CZ2 . TRP A 280 ? 0.1473 0.1848 0.1761 -0.0114 0.0018 0.0090 362 TRP A CZ2 2212 C CZ3 . TRP A 280 ? 0.1196 0.1572 0.1475 -0.0081 0.0026 0.0097 362 TRP A CZ3 2213 C CH2 . TRP A 280 ? 0.1083 0.1470 0.1369 -0.0096 0.0018 0.0093 362 TRP A CH2 2214 N N . LEU A 281 ? 0.0821 0.1150 0.1071 -0.0055 0.0067 0.0112 363 LEU A N 2215 C CA . LEU A 281 ? 0.0981 0.1302 0.1219 -0.0039 0.0075 0.0111 363 LEU A CA 2216 C C . LEU A 281 ? 0.1154 0.1458 0.1381 -0.0026 0.0070 0.0102 363 LEU A C 2217 O O . LEU A 281 ? 0.1293 0.1614 0.1530 -0.0022 0.0066 0.0102 363 LEU A O 2218 C CB . LEU A 281 ? 0.1346 0.1690 0.1584 -0.0027 0.0083 0.0116 363 LEU A CB 2219 C CG . LEU A 281 ? 0.1434 0.1794 0.1678 -0.0037 0.0086 0.0123 363 LEU A CG 2220 C CD1 . LEU A 281 ? 0.1369 0.1752 0.1611 -0.0022 0.0095 0.0126 363 LEU A CD1 2221 C CD2 . LEU A 281 ? 0.1293 0.1630 0.1527 -0.0048 0.0088 0.0127 363 LEU A CD2 2222 N N . GLY A 282 ? 0.1222 0.1494 0.1430 -0.0019 0.0071 0.0094 364 GLY A N 2223 C CA . GLY A 282 ? 0.1050 0.1307 0.1248 -0.0006 0.0068 0.0086 364 GLY A CA 2224 C C . GLY A 282 ? 0.1168 0.1429 0.1360 0.0013 0.0076 0.0084 364 GLY A C 2225 O O . GLY A 282 ? 0.1190 0.1454 0.1376 0.0015 0.0083 0.0086 364 GLY A O 2226 N N . ARG A 283 ? 0.0719 0.0979 0.0910 0.0026 0.0075 0.0081 365 ARG A N 2227 C CA . ARG A 283 ? 0.0915 0.1170 0.1097 0.0045 0.0083 0.0076 365 ARG A CA 2228 C C . ARG A 283 ? 0.1251 0.1491 0.1429 0.0057 0.0079 0.0071 365 ARG A C 2229 O O . ARG A 283 ? 0.1098 0.1341 0.1284 0.0054 0.0072 0.0074 365 ARG A O 2230 C CB . ARG A 283 ? 0.0727 0.1017 0.0920 0.0054 0.0092 0.0082 365 ARG A CB 2231 C CG . ARG A 283 ? 0.0996 0.1316 0.1210 0.0059 0.0091 0.0089 365 ARG A CG 2232 C CD . ARG A 283 ? 0.1196 0.1551 0.1420 0.0068 0.0101 0.0094 365 ARG A CD 2233 N NE . ARG A 283 ? 0.1332 0.1714 0.1573 0.0073 0.0098 0.0099 365 ARG A NE 2234 C CZ . ARG A 283 ? 0.1498 0.1902 0.1743 0.0080 0.0104 0.0101 365 ARG A CZ 2235 N NH1 . ARG A 283 ? 0.1214 0.1619 0.1449 0.0083 0.0112 0.0099 365 ARG A NH1 2236 N NH2 . ARG A 283 ? 0.1457 0.1884 0.1716 0.0084 0.0101 0.0106 365 ARG A NH2 2237 N N . THR A 284 ? 0.1148 0.1370 0.1314 0.0071 0.0085 0.0063 366 THR A N 2238 C CA . THR A 284 ? 0.1071 0.1279 0.1236 0.0085 0.0083 0.0060 366 THR A CA 2239 C C . THR A 284 ? 0.1381 0.1621 0.1564 0.0096 0.0086 0.0068 366 THR A C 2240 O O . THR A 284 ? 0.1530 0.1799 0.1723 0.0098 0.0093 0.0072 366 THR A O 2241 C CB . THR A 284 ? 0.0921 0.1104 0.1070 0.0097 0.0089 0.0049 366 THR A CB 2242 O OG1 . THR A 284 ? 0.1096 0.1298 0.1247 0.0107 0.0099 0.0047 366 THR A OG1 2243 C CG2 . THR A 284 ? 0.1119 0.1276 0.1251 0.0085 0.0086 0.0041 366 THR A CG2 2244 N N . ILE A 285 ? 0.1024 0.1260 0.1213 0.0104 0.0082 0.0070 367 ILE A N 2245 C CA . ILE A 285 ? 0.0995 0.1262 0.1203 0.0118 0.0085 0.0078 367 ILE A CA 2246 C C . ILE A 285 ? 0.1378 0.1641 0.1583 0.0139 0.0096 0.0072 367 ILE A C 2247 O O . ILE A 285 ? 0.1416 0.1712 0.1634 0.0148 0.0103 0.0076 367 ILE A O 2248 C CB . ILE A 285 ? 0.1141 0.1408 0.1357 0.0121 0.0076 0.0085 367 ILE A CB 2249 C CG1 . ILE A 285 ? 0.1201 0.1481 0.1421 0.0101 0.0066 0.0091 367 ILE A CG1 2250 C CG2 . ILE A 285 ? 0.1322 0.1618 0.1556 0.0140 0.0080 0.0094 367 ILE A CG2 2251 C CD1 . ILE A 285 ? 0.1544 0.1822 0.1766 0.0101 0.0057 0.0097 367 ILE A CD1 2252 N N . SER A 286 ? 0.1413 0.1639 0.1602 0.0146 0.0097 0.0062 368 SER A N 2253 C CA . SER A 286 ? 0.1695 0.1913 0.1879 0.0165 0.0107 0.0053 368 SER A CA 2254 C C . SER A 286 ? 0.1765 0.1996 0.1942 0.0162 0.0116 0.0047 368 SER A C 2255 O O . SER A 286 ? 0.1403 0.1629 0.1570 0.0146 0.0113 0.0045 368 SER A O 2256 C CB . SER A 286 ? 0.1529 0.1701 0.1697 0.0170 0.0106 0.0043 368 SER A CB 2257 O OG . SER A 286 ? 0.1647 0.1808 0.1808 0.0186 0.0116 0.0031 368 SER A OG 2258 N N . THR A 287 ? 0.1505 0.1750 0.1685 0.0178 0.0125 0.0043 369 THR A N 2259 C CA . THR A 287 ? 0.1300 0.1555 0.1469 0.0175 0.0133 0.0036 369 THR A CA 2260 C C . THR A 287 ? 0.1392 0.1613 0.1541 0.0183 0.0137 0.0019 369 THR A C 2261 O O . THR A 287 ? 0.1239 0.1464 0.1375 0.0181 0.0143 0.0011 369 THR A O 2262 C CB . THR A 287 ? 0.1442 0.1727 0.1621 0.0183 0.0138 0.0037 369 THR A CB 2263 O OG1 . THR A 287 ? 0.1566 0.1837 0.1747 0.0201 0.0140 0.0032 369 THR A OG1 2264 C CG2 . THR A 287 ? 0.1538 0.1858 0.1735 0.0172 0.0133 0.0053 369 THR A CG2 2265 N N . ALA A 288 ? 0.1416 0.1604 0.1561 0.0192 0.0134 0.0014 370 ALA A N 2266 C CA . ALA A 288 ? 0.1471 0.1624 0.1598 0.0199 0.0138 -0.0003 370 ALA A CA 2267 C C . ALA A 288 ? 0.1617 0.1737 0.1728 0.0186 0.0132 -0.0009 370 ALA A C 2268 O O . ALA A 288 ? 0.1792 0.1895 0.1885 0.0184 0.0134 -0.0023 370 ALA A O 2269 C CB . ALA A 288 ? 0.1596 0.1731 0.1730 0.0215 0.0138 -0.0008 370 ALA A CB 2270 N N A SER A 289 ? 0.1205 0.1317 0.1322 0.0174 0.0121 0.0001 371 SER A N 2271 N N B SER A 289 ? 0.1205 0.1320 0.1323 0.0175 0.0122 0.0002 371 SER A N 2272 C CA A SER A 289 ? 0.1056 0.1135 0.1159 0.0160 0.0114 -0.0004 371 SER A CA 2273 C CA B SER A 289 ? 0.1056 0.1137 0.1160 0.0161 0.0114 -0.0003 371 SER A CA 2274 C C A SER A 289 ? 0.1166 0.1254 0.1274 0.0143 0.0104 0.0008 371 SER A C 2275 C C B SER A 289 ? 0.1166 0.1256 0.1275 0.0143 0.0104 0.0009 371 SER A C 2276 O O A SER A 289 ? 0.1165 0.1282 0.1288 0.0140 0.0103 0.0020 371 SER A O 2277 O O B SER A 289 ? 0.1165 0.1284 0.1289 0.0141 0.0103 0.0021 371 SER A O 2278 C CB A SER A 289 ? 0.2320 0.2364 0.2421 0.0169 0.0112 -0.0009 371 SER A CB 2279 C CB B SER A 289 ? 0.2320 0.2367 0.2422 0.0170 0.0112 -0.0008 371 SER A CB 2280 O OG A SER A 289 ? 0.2992 0.3044 0.3110 0.0174 0.0108 0.0005 371 SER A OG 2281 O OG B SER A 289 ? 0.3024 0.3056 0.3118 0.0185 0.0121 -0.0022 371 SER A OG 2282 N N . ARG A 290 ? 0.1277 0.1340 0.1373 0.0130 0.0098 0.0004 372 ARG A N 2283 C CA . ARG A 290 ? 0.1082 0.1149 0.1180 0.0113 0.0089 0.0012 372 ARG A CA 2284 C C . ARG A 290 ? 0.1329 0.1392 0.1437 0.0113 0.0083 0.0021 372 ARG A C 2285 O O . ARG A 290 ? 0.1254 0.1294 0.1355 0.0106 0.0077 0.0019 372 ARG A O 2286 C CB . ARG A 290 ? 0.1018 0.1064 0.1100 0.0100 0.0086 0.0004 372 ARG A CB 2287 C CG . ARG A 290 ? 0.1126 0.1182 0.1198 0.0099 0.0091 -0.0002 372 ARG A CG 2288 C CD . ARG A 290 ? 0.1504 0.1537 0.1558 0.0091 0.0088 -0.0012 372 ARG A CD 2289 N NE . ARG A 290 ? 0.1150 0.1197 0.1196 0.0089 0.0093 -0.0015 372 ARG A NE 2290 C CZ . ARG A 290 ? 0.1604 0.1642 0.1636 0.0081 0.0090 -0.0021 372 ARG A CZ 2291 N NH1 . ARG A 290 ? 0.1354 0.1368 0.1380 0.0074 0.0084 -0.0026 372 ARG A NH1 2292 N NH2 . ARG A 290 ? 0.1356 0.1411 0.1380 0.0080 0.0094 -0.0021 372 ARG A NH2 2293 N N . SER A 291 ? 0.1097 0.1185 0.1222 0.0121 0.0084 0.0030 373 SER A N 2294 C CA . SER A 291 ? 0.1076 0.1165 0.1210 0.0122 0.0077 0.0040 373 SER A CA 2295 C C . SER A 291 ? 0.1393 0.1519 0.1544 0.0116 0.0074 0.0052 373 SER A C 2296 O O . SER A 291 ? 0.1190 0.1342 0.1348 0.0120 0.0080 0.0053 373 SER A O 2297 C CB . SER A 291 ? 0.1955 0.2032 0.2094 0.0141 0.0081 0.0041 373 SER A CB 2298 O OG . SER A 291 ? 0.2539 0.2639 0.2688 0.0156 0.0089 0.0042 373 SER A OG 2299 N N . GLY A 292 ? 0.1100 0.1229 0.1254 0.0107 0.0066 0.0059 374 GLY A N 2300 C CA . GLY A 292 ? 0.0815 0.0978 0.0983 0.0099 0.0062 0.0068 374 GLY A CA 2301 C C . GLY A 292 ? 0.1000 0.1172 0.1165 0.0082 0.0061 0.0065 374 GLY A C 2302 O O . GLY A 292 ? 0.1049 0.1207 0.1204 0.0080 0.0066 0.0058 374 GLY A O 2303 N N . TYR A 293 ? 0.0840 0.1034 0.1015 0.0070 0.0055 0.0072 375 TYR A N 2304 C CA . TYR A 293 ? 0.0803 0.1007 0.0980 0.0055 0.0055 0.0071 375 TYR A CA 2305 C C . TYR A 293 ? 0.1129 0.1366 0.1322 0.0046 0.0051 0.0079 375 TYR A C 2306 O O . TYR A 293 ? 0.1131 0.1376 0.1330 0.0044 0.0043 0.0083 375 TYR A O 2307 C CB . TYR A 293 ? 0.0925 0.1102 0.1088 0.0041 0.0051 0.0064 375 TYR A CB 2308 C CG . TYR A 293 ? 0.0920 0.1098 0.1081 0.0032 0.0054 0.0062 375 TYR A CG 2309 C CD1 . TYR A 293 ? 0.0943 0.1108 0.1093 0.0038 0.0061 0.0057 375 TYR A CD1 2310 C CD2 . TYR A 293 ? 0.1128 0.1321 0.1298 0.0017 0.0051 0.0066 375 TYR A CD2 2311 C CE1 . TYR A 293 ? 0.1196 0.1363 0.1344 0.0030 0.0064 0.0057 375 TYR A CE1 2312 C CE2 . TYR A 293 ? 0.0959 0.1151 0.1127 0.0008 0.0054 0.0066 375 TYR A CE2 2313 C CZ . TYR A 293 ? 0.0866 0.1047 0.1024 0.0015 0.0061 0.0063 375 TYR A CZ 2314 O OH . TYR A 293 ? 0.1239 0.1420 0.1395 0.0008 0.0064 0.0065 375 TYR A OH 2315 N N . GLU A 294 ? 0.0907 0.1166 0.1110 0.0040 0.0055 0.0082 376 GLU A N 2316 C CA . GLU A 294 ? 0.0764 0.1057 0.0985 0.0029 0.0050 0.0089 376 GLU A CA 2317 C C . GLU A 294 ? 0.0854 0.1151 0.1077 0.0012 0.0052 0.0089 376 GLU A C 2318 O O . GLU A 294 ? 0.0980 0.1264 0.1195 0.0013 0.0058 0.0087 376 GLU A O 2319 C CB . GLU A 294 ? 0.1048 0.1376 0.1285 0.0042 0.0055 0.0097 376 GLU A CB 2320 C CG . GLU A 294 ? 0.1341 0.1676 0.1579 0.0053 0.0066 0.0097 376 GLU A CG 2321 C CD . GLU A 294 ? 0.1840 0.2213 0.2097 0.0067 0.0071 0.0105 376 GLU A CD 2322 O OE1 . GLU A 294 ? 0.1655 0.2047 0.1924 0.0070 0.0064 0.0111 376 GLU A OE1 2323 O OE2 . GLU A 294 ? 0.1372 0.1754 0.1629 0.0077 0.0080 0.0105 376 GLU A OE2 2324 N N . MET A 295 ? 0.1217 0.1532 0.1451 -0.0004 0.0046 0.0093 377 MET A N 2325 C CA . MET A 295 ? 0.1046 0.1369 0.1288 -0.0020 0.0047 0.0095 377 MET A CA 2326 C C . MET A 295 ? 0.1139 0.1506 0.1402 -0.0022 0.0048 0.0104 377 MET A C 2327 O O . MET A 295 ? 0.1434 0.1824 0.1708 -0.0020 0.0043 0.0107 377 MET A O 2328 C CB . MET A 295 ? 0.1096 0.1404 0.1335 -0.0039 0.0038 0.0089 377 MET A CB 2329 C CG . MET A 295 ? 0.0777 0.1045 0.0997 -0.0038 0.0036 0.0080 377 MET A CG 2330 S SD . MET A 295 ? 0.1142 0.1386 0.1350 -0.0034 0.0045 0.0079 377 MET A SD 2331 C CE . MET A 295 ? 0.1436 0.1691 0.1656 -0.0053 0.0046 0.0085 377 MET A CE 2332 N N . LEU A 296 ? 0.1296 0.1671 0.1563 -0.0027 0.0055 0.0108 378 LEU A N 2333 C CA . LEU A 296 ? 0.1133 0.1537 0.1411 -0.0029 0.0056 0.0113 378 LEU A CA 2334 C C . LEU A 296 ? 0.1141 0.1542 0.1422 -0.0050 0.0055 0.0115 378 LEU A C 2335 O O . LEU A 296 ? 0.1125 0.1507 0.1398 -0.0054 0.0060 0.0115 378 LEU A O 2336 C CB . LEU A 296 ? 0.0896 0.1312 0.1173 -0.0011 0.0066 0.0116 378 LEU A CB 2337 C CG . LEU A 296 ? 0.1327 0.1744 0.1602 0.0012 0.0068 0.0115 378 LEU A CG 2338 C CD1 . LEU A 296 ? 0.1577 0.1999 0.1847 0.0029 0.0079 0.0115 378 LEU A CD1 2339 C CD2 . LEU A 296 ? 0.1656 0.2097 0.1943 0.0014 0.0060 0.0118 378 LEU A CD2 2340 N N . LYS A 297 ? 0.0849 0.1267 0.1141 -0.0062 0.0048 0.0116 379 LYS A N 2341 C CA . LYS A 297 ? 0.1054 0.1470 0.1350 -0.0081 0.0048 0.0117 379 LYS A CA 2342 C C . LYS A 297 ? 0.1333 0.1771 0.1636 -0.0077 0.0056 0.0125 379 LYS A C 2343 O O . LYS A 297 ? 0.1263 0.1731 0.1576 -0.0071 0.0056 0.0129 379 LYS A O 2344 C CB . LYS A 297 ? 0.0874 0.1301 0.1180 -0.0096 0.0038 0.0113 379 LYS A CB 2345 C CG . LYS A 297 ? 0.1278 0.1697 0.1589 -0.0117 0.0037 0.0113 379 LYS A CG 2346 C CD . LYS A 297 ? 0.1289 0.1721 0.1610 -0.0132 0.0027 0.0108 379 LYS A CD 2347 C CE . LYS A 297 ? 0.2168 0.2589 0.2496 -0.0152 0.0027 0.0106 379 LYS A CE 2348 N NZ . LYS A 297 ? 0.1653 0.2087 0.1990 -0.0167 0.0018 0.0100 379 LYS A NZ 2349 N N . VAL A 298 ? 0.1054 0.1479 0.1350 -0.0079 0.0063 0.0128 380 VAL A N 2350 C CA . VAL A 298 ? 0.1201 0.1647 0.1501 -0.0074 0.0071 0.0136 380 VAL A CA 2351 C C . VAL A 298 ? 0.1280 0.1718 0.1582 -0.0092 0.0073 0.0141 380 VAL A C 2352 O O . VAL A 298 ? 0.1251 0.1666 0.1542 -0.0094 0.0076 0.0142 380 VAL A O 2353 C CB . VAL A 298 ? 0.1018 0.1458 0.1305 -0.0055 0.0080 0.0136 380 VAL A CB 2354 C CG1 . VAL A 298 ? 0.1090 0.1553 0.1378 -0.0049 0.0089 0.0143 380 VAL A CG1 2355 C CG2 . VAL A 298 ? 0.1337 0.1780 0.1621 -0.0036 0.0079 0.0131 380 VAL A CG2 2356 N N . PRO A 299 ? 0.1360 0.1816 0.1676 -0.0106 0.0070 0.0144 381 PRO A N 2357 C CA . PRO A 299 ? 0.1564 0.2010 0.1884 -0.0125 0.0070 0.0148 381 PRO A CA 2358 C C . PRO A 299 ? 0.1404 0.1849 0.1718 -0.0121 0.0080 0.0157 381 PRO A C 2359 O O . PRO A 299 ? 0.1565 0.2035 0.1879 -0.0110 0.0086 0.0162 381 PRO A O 2360 C CB . PRO A 299 ? 0.1698 0.2173 0.2035 -0.0135 0.0067 0.0150 381 PRO A CB 2361 C CG . PRO A 299 ? 0.1919 0.2407 0.2260 -0.0127 0.0060 0.0144 381 PRO A CG 2362 C CD . PRO A 299 ? 0.1308 0.1794 0.1637 -0.0105 0.0064 0.0143 381 PRO A CD 2363 N N . ASN A 300 ? 0.1401 0.1815 0.1707 -0.0131 0.0080 0.0158 382 ASN A N 2364 C CA . ASN A 300 ? 0.1406 0.1818 0.1705 -0.0129 0.0089 0.0168 382 ASN A CA 2365 C C . ASN A 300 ? 0.1202 0.1622 0.1487 -0.0109 0.0095 0.0169 382 ASN A C 2366 O O . ASN A 300 ? 0.1418 0.1854 0.1700 -0.0104 0.0103 0.0177 382 ASN A O 2367 C CB . ASN A 300 ? 0.1383 0.1820 0.1695 -0.0140 0.0092 0.0178 382 ASN A CB 2368 C CG . ASN A 300 ? 0.2722 0.3149 0.3046 -0.0162 0.0086 0.0176 382 ASN A CG 2369 O OD1 . ASN A 300 ? 0.3079 0.3472 0.3398 -0.0172 0.0083 0.0173 382 ASN A OD1 2370 N ND2 . ASN A 300 ? 0.3753 0.4209 0.4093 -0.0169 0.0085 0.0179 382 ASN A ND2 2371 N N . ALA A 301 ? 0.1300 0.1711 0.1578 -0.0096 0.0093 0.0160 383 ALA A N 2372 C CA . ALA A 301 ? 0.1247 0.1663 0.1513 -0.0076 0.0099 0.0158 383 ALA A CA 2373 C C . ALA A 301 ? 0.1107 0.1512 0.1358 -0.0074 0.0106 0.0164 383 ALA A C 2374 O O . ALA A 301 ? 0.1173 0.1594 0.1417 -0.0061 0.0114 0.0165 383 ALA A O 2375 C CB . ALA A 301 ? 0.1414 0.1812 0.1673 -0.0066 0.0095 0.0148 383 ALA A CB 2376 N N . LEU A 302 ? 0.1147 0.1525 0.1395 -0.0087 0.0103 0.0167 384 LEU A N 2377 C CA . LEU A 302 ? 0.1291 0.1659 0.1526 -0.0085 0.0108 0.0174 384 LEU A CA 2378 C C . LEU A 302 ? 0.1451 0.1844 0.1687 -0.0086 0.0116 0.0185 384 LEU A C 2379 O O . LEU A 302 ? 0.1249 0.1650 0.1472 -0.0075 0.0122 0.0188 384 LEU A O 2380 C CB . LEU A 302 ? 0.1269 0.1603 0.1501 -0.0098 0.0104 0.0177 384 LEU A CB 2381 C CG . LEU A 302 ? 0.1471 0.1794 0.1690 -0.0097 0.0108 0.0186 384 LEU A CG 2382 C CD1 . LEU A 302 ? 0.1679 0.2001 0.1881 -0.0080 0.0112 0.0182 384 LEU A CD1 2383 C CD2 . LEU A 302 ? 0.1758 0.2047 0.1978 -0.0111 0.0103 0.0190 384 LEU A CD2 2384 N N . THR A 303 ? 0.1284 0.1693 0.1536 -0.0098 0.0114 0.0190 385 THR A N 2385 C CA . THR A 303 ? 0.1353 0.1783 0.1609 -0.0103 0.0120 0.0202 385 THR A CA 2386 C C . THR A 303 ? 0.1544 0.2013 0.1810 -0.0098 0.0125 0.0203 385 THR A C 2387 O O . THR A 303 ? 0.1916 0.2407 0.2182 -0.0098 0.0131 0.0213 385 THR A O 2388 C CB . THR A 303 ? 0.1549 0.1965 0.1815 -0.0124 0.0117 0.0210 385 THR A CB 2389 O OG1 . THR A 303 ? 0.1452 0.1868 0.1733 -0.0135 0.0110 0.0203 385 THR A OG1 2390 C CG2 . THR A 303 ? 0.2110 0.2487 0.2365 -0.0129 0.0114 0.0211 385 THR A CG2 2391 N N . ASP A 304 ? 0.1578 0.2057 0.1852 -0.0092 0.0121 0.0194 386 ASP A N 2392 C CA . ASP A 304 ? 0.1392 0.1907 0.1678 -0.0086 0.0124 0.0195 386 ASP A CA 2393 C C . ASP A 304 ? 0.1240 0.1768 0.1517 -0.0063 0.0128 0.0187 386 ASP A C 2394 O O . ASP A 304 ? 0.1392 0.1909 0.1667 -0.0054 0.0125 0.0178 386 ASP A O 2395 C CB . ASP A 304 ? 0.1388 0.1908 0.1692 -0.0096 0.0115 0.0191 386 ASP A CB 2396 C CG . ASP A 304 ? 0.1954 0.2514 0.2272 -0.0092 0.0117 0.0193 386 ASP A CG 2397 O OD1 . ASP A 304 ? 0.1522 0.2106 0.1837 -0.0079 0.0125 0.0196 386 ASP A OD1 2398 O OD2 . ASP A 304 ? 0.2204 0.2771 0.2536 -0.0101 0.0110 0.0191 386 ASP A OD2 2399 N N . ASP A 305 ? 0.1497 0.2048 0.1769 -0.0053 0.0137 0.0191 387 ASP A N 2400 C CA . ASP A 305 ? 0.1510 0.2070 0.1771 -0.0031 0.0143 0.0183 387 ASP A CA 2401 C C . ASP A 305 ? 0.1394 0.1979 0.1669 -0.0020 0.0143 0.0178 387 ASP A C 2402 O O . ASP A 305 ? 0.1342 0.1935 0.1610 -0.0001 0.0148 0.0171 387 ASP A O 2403 C CB . ASP A 305 ? 0.1358 0.1931 0.1606 -0.0023 0.0153 0.0187 387 ASP A CB 2404 C CG . ASP A 305 ? 0.2004 0.2613 0.2264 -0.0027 0.0158 0.0196 387 ASP A CG 2405 O OD1 . ASP A 305 ? 0.1878 0.2504 0.2156 -0.0035 0.0155 0.0200 387 ASP A OD1 2406 O OD2 . ASP A 305 ? 0.1776 0.2397 0.2025 -0.0023 0.0166 0.0201 387 ASP A OD2 2407 N N . ARG A 306 ? 0.1271 0.1866 0.1564 -0.0033 0.0136 0.0182 388 ARG A N 2408 C CA . ARG A 306 ? 0.1217 0.1836 0.1524 -0.0024 0.0134 0.0179 388 ARG A CA 2409 C C . ARG A 306 ? 0.1433 0.2036 0.1746 -0.0028 0.0124 0.0173 388 ARG A C 2410 O O . ARG A 306 ? 0.1405 0.2025 0.1729 -0.0021 0.0121 0.0171 388 ARG A O 2411 C CB . ARG A 306 ? 0.1795 0.2450 0.2120 -0.0033 0.0136 0.0188 388 ARG A CB 2412 C CG . ARG A 306 ? 0.1663 0.2336 0.1984 -0.0034 0.0145 0.0196 388 ARG A CG 2413 C CD . ARG A 306 ? 0.1723 0.2410 0.2034 -0.0010 0.0155 0.0191 388 ARG A CD 2414 N NE . ARG A 306 ? 0.2419 0.3121 0.2723 -0.0010 0.0164 0.0198 388 ARG A NE 2415 C CZ . ARG A 306 ? 0.3192 0.3932 0.3507 -0.0010 0.0170 0.0205 388 ARG A CZ 2416 N NH1 . ARG A 306 ? 0.2717 0.3482 0.3050 -0.0009 0.0167 0.0206 388 ARG A NH1 2417 N NH2 . ARG A 306 ? 0.3381 0.4134 0.3688 -0.0011 0.0178 0.0212 388 ARG A NH2 2418 N N . SER A 307 ? 0.1590 0.2160 0.1896 -0.0039 0.0119 0.0171 389 SER A N 2419 C CA . SER A 307 ? 0.1153 0.1709 0.1466 -0.0048 0.0108 0.0166 389 SER A CA 2420 C C . SER A 307 ? 0.1446 0.1998 0.1755 -0.0030 0.0105 0.0158 389 SER A C 2421 O O . SER A 307 ? 0.1437 0.1976 0.1733 -0.0014 0.0110 0.0152 389 SER A O 2422 C CB . SER A 307 ? 0.1063 0.1583 0.1367 -0.0062 0.0104 0.0165 389 SER A CB 2423 O OG . SER A 307 ? 0.1112 0.1612 0.1398 -0.0052 0.0109 0.0162 389 SER A OG 2424 N N . LYS A 308 ? 0.1441 0.2004 0.1763 -0.0033 0.0098 0.0157 390 LYS A N 2425 C CA . LYS A 308 ? 0.1737 0.2297 0.2058 -0.0018 0.0094 0.0150 390 LYS A CA 2426 C C . LYS A 308 ? 0.1411 0.1956 0.1735 -0.0030 0.0083 0.0147 390 LYS A C 2427 O O . LYS A 308 ? 0.1543 0.2081 0.1870 -0.0050 0.0078 0.0148 390 LYS A O 2428 C CB . LYS A 308 ? 0.2027 0.2622 0.2361 -0.0005 0.0096 0.0154 390 LYS A CB 2429 C CG . LYS A 308 ? 0.2157 0.2767 0.2487 0.0011 0.0107 0.0155 390 LYS A CG 2430 C CD . LYS A 308 ? 0.1998 0.2587 0.2313 0.0031 0.0112 0.0147 390 LYS A CD 2431 C CE . LYS A 308 ? 0.3460 0.4065 0.3771 0.0048 0.0124 0.0146 390 LYS A CE 2432 N NZ . LYS A 308 ? 0.3159 0.3797 0.3486 0.0059 0.0124 0.0149 390 LYS A NZ 2433 N N . PRO A 309 ? 0.1179 0.1717 0.1500 -0.0018 0.0079 0.0142 391 PRO A N 2434 C CA . PRO A 309 ? 0.1245 0.1769 0.1566 -0.0029 0.0068 0.0138 391 PRO A CA 2435 C C . PRO A 309 ? 0.1719 0.2268 0.2055 -0.0040 0.0060 0.0141 391 PRO A C 2436 O O . PRO A 309 ? 0.1384 0.1964 0.1731 -0.0030 0.0061 0.0146 391 PRO A O 2437 C CB . PRO A 309 ? 0.1395 0.1908 0.1710 -0.0010 0.0067 0.0134 391 PRO A CB 2438 C CG . PRO A 309 ? 0.1239 0.1747 0.1545 0.0008 0.0078 0.0133 391 PRO A CG 2439 C CD . PRO A 309 ? 0.1515 0.2050 0.1829 0.0007 0.0084 0.0139 391 PRO A CD 2440 N N . ILE A 310 ? 0.0884 0.1422 0.1221 -0.0059 0.0051 0.0137 392 ILE A N 2441 C CA . ILE A 310 ? 0.1125 0.1684 0.1474 -0.0070 0.0042 0.0137 392 ILE A CA 2442 C C . ILE A 310 ? 0.1405 0.1953 0.1750 -0.0072 0.0032 0.0131 392 ILE A C 2443 O O . ILE A 310 ? 0.1529 0.2094 0.1880 -0.0080 0.0024 0.0130 392 ILE A O 2444 C CB . ILE A 310 ? 0.1564 0.2126 0.1921 -0.0093 0.0041 0.0138 392 ILE A CB 2445 C CG1 . ILE A 310 ? 0.1531 0.2057 0.1880 -0.0109 0.0038 0.0131 392 ILE A CG1 2446 C CG2 . ILE A 310 ? 0.1801 0.2379 0.2163 -0.0091 0.0051 0.0146 392 ILE A CG2 2447 C CD1 . ILE A 310 ? 0.1678 0.2203 0.2035 -0.0132 0.0035 0.0130 392 ILE A CD1 2448 N N . GLN A 311 ? 0.1206 0.1725 0.1537 -0.0065 0.0033 0.0126 393 GLN A N 2449 C CA . GLN A 311 ? 0.1298 0.1805 0.1623 -0.0066 0.0025 0.0121 393 GLN A CA 2450 C C . GLN A 311 ? 0.1237 0.1717 0.1550 -0.0053 0.0029 0.0118 393 GLN A C 2451 O O . GLN A 311 ? 0.1027 0.1494 0.1334 -0.0049 0.0038 0.0119 393 GLN A O 2452 C CB . GLN A 311 ? 0.1358 0.1849 0.1682 -0.0090 0.0018 0.0113 393 GLN A CB 2453 C CG . GLN A 311 ? 0.1018 0.1506 0.1337 -0.0094 0.0007 0.0107 393 GLN A CG 2454 C CD . GLN A 311 ? 0.1326 0.1792 0.1641 -0.0115 0.0001 0.0096 393 GLN A CD 2455 O OE1 . GLN A 311 ? 0.1354 0.1817 0.1675 -0.0130 0.0003 0.0095 393 GLN A OE1 2456 N NE2 . GLN A 311 ? 0.1014 0.1464 0.1319 -0.0117 -0.0004 0.0089 393 GLN A NE2 2457 N N . GLY A 312 ? 0.1114 0.1587 0.1422 -0.0046 0.0024 0.0116 394 GLY A N 2458 C CA . GLY A 312 ? 0.1208 0.1656 0.1504 -0.0034 0.0028 0.0113 394 GLY A CA 2459 C C . GLY A 312 ? 0.1670 0.2106 0.1960 -0.0034 0.0020 0.0109 394 GLY A C 2460 O O . GLY A 312 ? 0.0993 0.1442 0.1285 -0.0043 0.0011 0.0108 394 GLY A O 2461 N N . GLN A 313 ? 0.1358 0.1770 0.1638 -0.0025 0.0024 0.0107 395 GLN A N 2462 C CA . GLN A 313 ? 0.0756 0.1151 0.1025 -0.0023 0.0017 0.0103 395 GLN A CA 2463 C C . GLN A 313 ? 0.0991 0.1356 0.1245 -0.0005 0.0022 0.0101 395 GLN A C 2464 O O . GLN A 313 ? 0.1275 0.1614 0.1519 -0.0003 0.0029 0.0096 395 GLN A O 2465 C CB . GLN A 313 ? 0.1046 0.1419 0.1305 -0.0043 0.0011 0.0093 395 GLN A CB 2466 C CG . GLN A 313 ? 0.1052 0.1413 0.1299 -0.0044 0.0002 0.0089 395 GLN A CG 2467 C CD . GLN A 313 ? 0.1242 0.1587 0.1482 -0.0063 -0.0003 0.0078 395 GLN A CD 2468 O OE1 . GLN A 313 ? 0.1305 0.1662 0.1555 -0.0080 -0.0005 0.0076 395 GLN A OE1 2469 N NE2 . GLN A 313 ? 0.0939 0.1256 0.1161 -0.0062 -0.0006 0.0071 395 GLN A NE2 2470 N N . THR A 314 ? 0.1157 0.1524 0.1409 0.0009 0.0019 0.0105 396 THR A N 2471 C CA . THR A 314 ? 0.1319 0.1653 0.1556 0.0025 0.0024 0.0102 396 THR A CA 2472 C C . THR A 314 ? 0.1213 0.1513 0.1433 0.0015 0.0019 0.0093 396 THR A C 2473 O O . THR A 314 ? 0.1357 0.1663 0.1575 0.0004 0.0011 0.0092 396 THR A O 2474 C CB . THR A 314 ? 0.1771 0.2116 0.2014 0.0044 0.0022 0.0111 396 THR A CB 2475 O OG1 . THR A 314 ? 0.2082 0.2458 0.2343 0.0056 0.0028 0.0118 396 THR A OG1 2476 C CG2 . THR A 314 ? 0.1538 0.1844 0.1765 0.0057 0.0026 0.0107 396 THR A CG2 2477 N N . ILE A 315 ? 0.1010 0.1277 0.1216 0.0019 0.0025 0.0086 397 ILE A N 2478 C CA . ILE A 315 ? 0.0951 0.1186 0.1139 0.0011 0.0021 0.0078 397 ILE A CA 2479 C C . ILE A 315 ? 0.1135 0.1347 0.1313 0.0024 0.0022 0.0078 397 ILE A C 2480 O O . ILE A 315 ? 0.1082 0.1282 0.1251 0.0020 0.0017 0.0077 397 ILE A O 2481 C CB . ILE A 315 ? 0.0785 0.0998 0.0965 0.0004 0.0026 0.0071 397 ILE A CB 2482 C CG1 . ILE A 315 ? 0.1000 0.1235 0.1193 -0.0008 0.0028 0.0073 397 ILE A CG1 2483 C CG2 . ILE A 315 ? 0.1049 0.1236 0.1215 -0.0005 0.0022 0.0063 397 ILE A CG2 2484 C CD1 . ILE A 315 ? 0.1118 0.1371 0.1320 -0.0024 0.0019 0.0073 397 ILE A CD1 2485 N N . VAL A 316 ? 0.0887 0.1092 0.1065 0.0040 0.0030 0.0080 398 VAL A N 2486 C CA . VAL A 316 ? 0.0934 0.1114 0.1102 0.0053 0.0031 0.0080 398 VAL A CA 2487 C C . VAL A 316 ? 0.1238 0.1434 0.1419 0.0072 0.0036 0.0087 398 VAL A C 2488 O O . VAL A 316 ? 0.1134 0.1344 0.1323 0.0077 0.0042 0.0086 398 VAL A O 2489 C CB . VAL A 316 ? 0.1001 0.1148 0.1155 0.0054 0.0037 0.0069 398 VAL A CB 2490 C CG1 . VAL A 316 ? 0.1040 0.1161 0.1186 0.0066 0.0038 0.0069 398 VAL A CG1 2491 C CG2 . VAL A 316 ? 0.1258 0.1392 0.1402 0.0037 0.0033 0.0063 398 VAL A CG2 2492 N N . LEU A 317 ? 0.1073 0.1266 0.1255 0.0082 0.0033 0.0094 399 LEU A N 2493 C CA . LEU A 317 ? 0.1503 0.1709 0.1697 0.0102 0.0037 0.0102 399 LEU A CA 2494 C C . LEU A 317 ? 0.1581 0.1763 0.1770 0.0114 0.0047 0.0093 399 LEU A C 2495 O O . LEU A 317 ? 0.1231 0.1380 0.1404 0.0110 0.0049 0.0084 399 LEU A O 2496 C CB . LEU A 317 ? 0.1724 0.1926 0.1920 0.0111 0.0032 0.0112 399 LEU A CB 2497 C CG . LEU A 317 ? 0.1648 0.1879 0.1850 0.0101 0.0022 0.0121 399 LEU A CG 2498 C CD1 . LEU A 317 ? 0.1859 0.2083 0.2060 0.0111 0.0018 0.0133 399 LEU A CD1 2499 C CD2 . LEU A 317 ? 0.1875 0.2151 0.2096 0.0101 0.0021 0.0128 399 LEU A CD2 2500 N N . ASN A 318 ? 0.1128 0.1327 0.1329 0.0130 0.0054 0.0096 400 ASN A N 2501 C CA . ASN A 318 ? 0.1424 0.1604 0.1619 0.0144 0.0064 0.0087 400 ASN A CA 2502 C C . ASN A 318 ? 0.1742 0.1880 0.1925 0.0152 0.0064 0.0084 400 ASN A C 2503 O O . ASN A 318 ? 0.1969 0.2080 0.2141 0.0156 0.0070 0.0072 400 ASN A O 2504 C CB . ASN A 318 ? 0.1544 0.1752 0.1756 0.0162 0.0071 0.0092 400 ASN A CB 2505 C CG . ASN A 318 ? 0.2346 0.2542 0.2552 0.0173 0.0082 0.0080 400 ASN A CG 2506 O OD1 . ASN A 318 ? 0.2250 0.2430 0.2441 0.0162 0.0084 0.0070 400 ASN A OD1 2507 N ND2 . ASN A 318 ? 0.3723 0.3927 0.3939 0.0195 0.0089 0.0082 400 ASN A ND2 2508 N N . ALA A 319 ? 0.1389 0.1524 0.1576 0.0155 0.0058 0.0094 401 ALA A N 2509 C CA . ALA A 319 ? 0.1705 0.1801 0.1883 0.0161 0.0058 0.0094 401 ALA A CA 2510 C C . ALA A 319 ? 0.2065 0.2130 0.2224 0.0145 0.0055 0.0084 401 ALA A C 2511 O O . ALA A 319 ? 0.2020 0.2050 0.2170 0.0148 0.0056 0.0080 401 ALA A O 2512 C CB . ALA A 319 ? 0.2261 0.2366 0.2448 0.0167 0.0051 0.0110 401 ALA A CB 2513 N N . ASP A 320 ? 0.1285 0.1363 0.1440 0.0127 0.0052 0.0080 402 ASP A N 2514 C CA . ASP A 320 ? 0.1256 0.1310 0.1395 0.0112 0.0049 0.0072 402 ASP A CA 2515 C C . ASP A 320 ? 0.1653 0.1700 0.1783 0.0106 0.0054 0.0058 402 ASP A C 2516 O O . ASP A 320 ? 0.1551 0.1621 0.1688 0.0107 0.0058 0.0057 402 ASP A O 2517 C CB . ASP A 320 ? 0.1371 0.1441 0.1509 0.0096 0.0040 0.0077 402 ASP A CB 2518 C CG . ASP A 320 ? 0.1974 0.2047 0.2116 0.0099 0.0034 0.0090 402 ASP A CG 2519 O OD1 . ASP A 320 ? 0.2126 0.2171 0.2261 0.0103 0.0035 0.0091 402 ASP A OD1 2520 O OD2 . ASP A 320 ? 0.1526 0.1629 0.1677 0.0097 0.0029 0.0099 402 ASP A OD2 2521 N N . TRP A 321 ? 0.1262 0.1280 0.1378 0.0100 0.0054 0.0049 403 TRP A N 2522 C CA . TRP A 321 ? 0.1256 0.1266 0.1362 0.0096 0.0059 0.0037 403 TRP A CA 2523 C C . TRP A 321 ? 0.1361 0.1388 0.1466 0.0080 0.0055 0.0037 403 TRP A C 2524 O O . TRP A 321 ? 0.1577 0.1605 0.1681 0.0069 0.0049 0.0040 403 TRP A O 2525 C CB . TRP A 321 ? 0.1468 0.1444 0.1560 0.0093 0.0059 0.0027 403 TRP A CB 2526 C CG . TRP A 321 ? 0.1612 0.1566 0.1704 0.0107 0.0063 0.0025 403 TRP A CG 2527 C CD1 . TRP A 321 ? 0.1815 0.1744 0.1905 0.0108 0.0061 0.0029 403 TRP A CD1 2528 C CD2 . TRP A 321 ? 0.1519 0.1473 0.1615 0.0123 0.0071 0.0020 403 TRP A CD2 2529 N NE1 . TRP A 321 ? 0.1919 0.1830 0.2012 0.0123 0.0066 0.0026 403 TRP A NE1 2530 C CE2 . TRP A 321 ? 0.1930 0.1855 0.2025 0.0134 0.0073 0.0020 403 TRP A CE2 2531 C CE3 . TRP A 321 ? 0.1857 0.1832 0.1956 0.0130 0.0078 0.0016 403 TRP A CE3 2532 C CZ2 . TRP A 321 ? 0.1923 0.1840 0.2021 0.0151 0.0081 0.0014 403 TRP A CZ2 2533 C CZ3 . TRP A 321 ? 0.2878 0.2848 0.2979 0.0147 0.0086 0.0010 403 TRP A CZ3 2534 C CH2 . TRP A 321 ? 0.2186 0.2126 0.2287 0.0158 0.0087 0.0008 403 TRP A CH2 2535 N N . SER A 322 ? 0.1119 0.1161 0.1225 0.0080 0.0060 0.0033 404 SER A N 2536 C CA . SER A 322 ? 0.0722 0.0774 0.0826 0.0066 0.0057 0.0032 404 SER A CA 2537 C C . SER A 322 ? 0.1011 0.1048 0.1102 0.0063 0.0061 0.0022 404 SER A C 2538 O O . SER A 322 ? 0.1149 0.1161 0.1229 0.0064 0.0060 0.0015 404 SER A O 2539 C CB . SER A 322 ? 0.1045 0.1129 0.1162 0.0065 0.0059 0.0039 404 SER A CB 2540 O OG . SER A 322 ? 0.1244 0.1339 0.1365 0.0077 0.0067 0.0038 404 SER A OG 2541 N N . GLY A 323 ? 0.1005 0.1057 0.1096 0.0059 0.0063 0.0022 405 GLY A N 2542 C CA . GLY A 323 ? 0.0981 0.1022 0.1059 0.0055 0.0065 0.0015 405 GLY A CA 2543 C C . GLY A 323 ? 0.1067 0.1125 0.1148 0.0046 0.0066 0.0019 405 GLY A C 2544 O O . GLY A 323 ? 0.1331 0.1412 0.1424 0.0047 0.0068 0.0027 405 GLY A O 2545 N N . TYR A 324 ? 0.1055 0.1103 0.1127 0.0038 0.0064 0.0016 406 TYR A N 2546 C CA . TYR A 324 ? 0.1043 0.1103 0.1117 0.0030 0.0064 0.0021 406 TYR A CA 2547 C C . TYR A 324 ? 0.1251 0.1320 0.1339 0.0021 0.0059 0.0029 406 TYR A C 2548 O O . TYR A 324 ? 0.1217 0.1279 0.1307 0.0018 0.0054 0.0028 406 TYR A O 2549 C CB . TYR A 324 ? 0.1392 0.1438 0.1455 0.0024 0.0061 0.0017 406 TYR A CB 2550 C CG . TYR A 324 ? 0.1132 0.1177 0.1182 0.0030 0.0066 0.0011 406 TYR A CG 2551 C CD1 . TYR A 324 ? 0.1244 0.1294 0.1291 0.0041 0.0072 0.0007 406 TYR A CD1 2552 C CD2 . TYR A 324 ? 0.0877 0.0918 0.0918 0.0026 0.0064 0.0009 406 TYR A CD2 2553 C CE1 . TYR A 324 ? 0.1259 0.1309 0.1293 0.0046 0.0076 -0.0001 406 TYR A CE1 2554 C CE2 . TYR A 324 ? 0.1281 0.1324 0.1309 0.0030 0.0067 0.0004 406 TYR A CE2 2555 C CZ . TYR A 324 ? 0.1337 0.1385 0.1361 0.0040 0.0073 -0.0002 406 TYR A CZ 2556 O OH . TYR A 324 ? 0.1284 0.1335 0.1293 0.0044 0.0077 -0.0010 406 TYR A OH 2557 N N . SER A 325 ? 0.1121 0.1205 0.1216 0.0015 0.0061 0.0036 407 SER A N 2558 C CA . SER A 325 ? 0.1044 0.1135 0.1150 0.0004 0.0057 0.0041 407 SER A CA 2559 C C . SER A 325 ? 0.1152 0.1245 0.1260 -0.0004 0.0058 0.0046 407 SER A C 2560 O O . SER A 325 ? 0.1251 0.1350 0.1354 -0.0001 0.0063 0.0049 407 SER A O 2561 C CB . SER A 325 ? 0.0972 0.1086 0.1093 0.0006 0.0057 0.0047 407 SER A CB 2562 O OG . SER A 325 ? 0.1213 0.1346 0.1338 0.0012 0.0065 0.0052 407 SER A OG 2563 N N . GLY A 326 ? 0.0829 0.0916 0.0943 -0.0016 0.0053 0.0048 408 GLY A N 2564 C CA . GLY A 326 ? 0.0955 0.1040 0.1072 -0.0023 0.0054 0.0053 408 GLY A CA 2565 C C . GLY A 326 ? 0.1133 0.1215 0.1261 -0.0036 0.0049 0.0054 408 GLY A C 2566 O O . GLY A 326 ? 0.1016 0.1097 0.1147 -0.0039 0.0044 0.0049 408 GLY A O 2567 N N . SER A 327 ? 0.0887 0.0967 0.1020 -0.0044 0.0050 0.0061 409 SER A N 2568 C CA . SER A 327 ? 0.1142 0.1218 0.1287 -0.0057 0.0047 0.0062 409 SER A CA 2569 C C . SER A 327 ? 0.1262 0.1312 0.1402 -0.0060 0.0043 0.0057 409 SER A C 2570 O O . SER A 327 ? 0.1176 0.1215 0.1307 -0.0054 0.0044 0.0057 409 SER A O 2571 C CB . SER A 327 ? 0.1162 0.1251 0.1318 -0.0064 0.0051 0.0074 409 SER A CB 2572 O OG . SER A 327 ? 0.1244 0.1329 0.1392 -0.0060 0.0056 0.0081 409 SER A OG 2573 N N . PHE A 328 ? 0.1108 0.1151 0.1256 -0.0070 0.0039 0.0051 410 PHE A N 2574 C CA . PHE A 328 ? 0.1030 0.1051 0.1178 -0.0074 0.0036 0.0046 410 PHE A CA 2575 C C . PHE A 328 ? 0.1112 0.1132 0.1271 -0.0088 0.0032 0.0042 410 PHE A C 2576 O O . PHE A 328 ? 0.1042 0.1080 0.1207 -0.0092 0.0031 0.0041 410 PHE A O 2577 C CB . PHE A 328 ? 0.0995 0.1003 0.1130 -0.0067 0.0033 0.0036 410 PHE A CB 2578 C CG . PHE A 328 ? 0.1192 0.1208 0.1327 -0.0069 0.0029 0.0027 410 PHE A CG 2579 C CD1 . PHE A 328 ? 0.1294 0.1325 0.1425 -0.0063 0.0029 0.0028 410 PHE A CD1 2580 C CD2 . PHE A 328 ? 0.1145 0.1152 0.1283 -0.0077 0.0025 0.0018 410 PHE A CD2 2581 C CE1 . PHE A 328 ? 0.1352 0.1391 0.1483 -0.0064 0.0025 0.0022 410 PHE A CE1 2582 C CE2 . PHE A 328 ? 0.1371 0.1387 0.1507 -0.0079 0.0021 0.0010 410 PHE A CE2 2583 C CZ . PHE A 328 ? 0.1514 0.1547 0.1646 -0.0072 0.0021 0.0014 410 PHE A CZ 2584 N N . MET A 329 ? 0.1018 0.1017 0.1181 -0.0094 0.0031 0.0040 411 MET A N 2585 C CA . MET A 329 ? 0.1147 0.1141 0.1319 -0.0107 0.0028 0.0032 411 MET A CA 2586 C C . MET A 329 ? 0.1131 0.1099 0.1300 -0.0108 0.0025 0.0021 411 MET A C 2587 O O . MET A 329 ? 0.1390 0.1343 0.1554 -0.0099 0.0028 0.0023 411 MET A O 2588 C CB . MET A 329 ? 0.1122 0.1119 0.1309 -0.0120 0.0029 0.0041 411 MET A CB 2589 C CG . MET A 329 ? 0.1101 0.1129 0.1294 -0.0121 0.0031 0.0051 411 MET A CG 2590 S SD . MET A 329 ? 0.1185 0.1222 0.1394 -0.0139 0.0032 0.0058 411 MET A SD 2591 C CE . MET A 329 ? 0.1245 0.1260 0.1450 -0.0135 0.0038 0.0071 411 MET A CE 2592 N N . ASP A 330 ? 0.1133 0.1099 0.1305 -0.0117 0.0021 0.0009 412 ASP A N 2593 C CA . ASP A 330 ? 0.1346 0.1288 0.1517 -0.0117 0.0020 -0.0003 412 ASP A CA 2594 C C . ASP A 330 ? 0.1064 0.0988 0.1240 -0.0125 0.0020 0.0001 412 ASP A C 2595 O O . ASP A 330 ? 0.1335 0.1260 0.1513 -0.0136 0.0017 -0.0005 412 ASP A O 2596 C CB . ASP A 330 ? 0.1289 0.1237 0.1456 -0.0123 0.0015 -0.0019 412 ASP A CB 2597 C CG . ASP A 330 ? 0.1622 0.1548 0.1782 -0.0119 0.0014 -0.0032 412 ASP A CG 2598 O OD1 . ASP A 330 ? 0.1415 0.1320 0.1575 -0.0113 0.0017 -0.0028 412 ASP A OD1 2599 O OD2 . ASP A 330 ? 0.1466 0.1397 0.1620 -0.0122 0.0011 -0.0045 412 ASP A OD2 2600 N N . TYR A 331 ? 0.1346 0.1254 0.1522 -0.0118 0.0024 0.0010 413 TYR A N 2601 C CA . TYR A 331 ? 0.1354 0.1244 0.1534 -0.0124 0.0025 0.0016 413 TYR A CA 2602 C C . TYR A 331 ? 0.1728 0.1596 0.1906 -0.0126 0.0022 0.0002 413 TYR A C 2603 O O . TYR A 331 ? 0.1909 0.1760 0.2091 -0.0133 0.0022 0.0005 413 TYR A O 2604 C CB . TYR A 331 ? 0.1174 0.1057 0.1356 -0.0115 0.0029 0.0032 413 TYR A CB 2605 C CG . TYR A 331 ? 0.1127 0.1034 0.1311 -0.0114 0.0032 0.0046 413 TYR A CG 2606 C CD1 . TYR A 331 ? 0.1414 0.1332 0.1603 -0.0123 0.0034 0.0057 413 TYR A CD1 2607 C CD2 . TYR A 331 ? 0.1254 0.1174 0.1433 -0.0104 0.0034 0.0048 413 TYR A CD2 2608 C CE1 . TYR A 331 ? 0.1162 0.1106 0.1353 -0.0121 0.0038 0.0069 413 TYR A CE1 2609 C CE2 . TYR A 331 ? 0.1265 0.1209 0.1442 -0.0101 0.0037 0.0059 413 TYR A CE2 2610 C CZ . TYR A 331 ? 0.1358 0.1314 0.1545 -0.0110 0.0040 0.0070 413 TYR A CZ 2611 O OH . TYR A 331 ? 0.1298 0.1279 0.1482 -0.0106 0.0043 0.0080 413 TYR A OH 2612 N N . TRP A 332 ? 0.1251 0.1119 0.1423 -0.0121 0.0020 -0.0013 414 TRP A N 2613 C CA . TRP A 332 ? 0.1316 0.1163 0.1485 -0.0122 0.0018 -0.0027 414 TRP A CA 2614 C C . TRP A 332 ? 0.1742 0.1599 0.1908 -0.0132 0.0013 -0.0042 414 TRP A C 2615 O O . TRP A 332 ? 0.2011 0.1855 0.2173 -0.0132 0.0011 -0.0056 414 TRP A O 2616 C CB . TRP A 332 ? 0.1237 0.1075 0.1402 -0.0107 0.0020 -0.0032 414 TRP A CB 2617 C CG . TRP A 332 ? 0.1334 0.1160 0.1503 -0.0098 0.0024 -0.0017 414 TRP A CG 2618 C CD1 . TRP A 332 ? 0.1313 0.1115 0.1485 -0.0094 0.0025 -0.0013 414 TRP A CD1 2619 C CD2 . TRP A 332 ? 0.1191 0.1029 0.1359 -0.0092 0.0026 -0.0003 414 TRP A CD2 2620 N NE1 . TRP A 332 ? 0.1436 0.1237 0.1611 -0.0086 0.0028 0.0004 414 TRP A NE1 2621 C CE2 . TRP A 332 ? 0.1322 0.1146 0.1495 -0.0084 0.0029 0.0010 414 TRP A CE2 2622 C CE3 . TRP A 332 ? 0.1377 0.1239 0.1544 -0.0091 0.0027 0.0000 414 TRP A CE3 2623 C CZ2 . TRP A 332 ? 0.1403 0.1235 0.1576 -0.0077 0.0032 0.0025 414 TRP A CZ2 2624 C CZ3 . TRP A 332 ? 0.1188 0.1056 0.1355 -0.0084 0.0030 0.0014 414 TRP A CZ3 2625 C CH2 . TRP A 332 ? 0.1336 0.1190 0.1506 -0.0077 0.0032 0.0027 414 TRP A CH2 2626 N N . ALA A 333 ? 0.1231 0.1112 0.1399 -0.0140 0.0011 -0.0038 415 ALA A N 2627 C CA . ALA A 333 ? 0.1504 0.1399 0.1670 -0.0151 0.0005 -0.0050 415 ALA A CA 2628 C C . ALA A 333 ? 0.1951 0.1832 0.2121 -0.0164 0.0002 -0.0054 415 ALA A C 2629 O O . ALA A 333 ? 0.2365 0.2230 0.2540 -0.0167 0.0004 -0.0045 415 ALA A O 2630 C CB . ALA A 333 ? 0.1472 0.1400 0.1642 -0.0156 0.0003 -0.0042 415 ALA A CB 2631 N N . GLU A 334 ? 0.1659 0.1546 0.1826 -0.0171 -0.0004 -0.0069 416 GLU A N 2632 C CA . GLU A 334 ? 0.2485 0.2361 0.2656 -0.0185 -0.0008 -0.0074 416 GLU A CA 2633 C C . GLU A 334 ? 0.2047 0.1944 0.2228 -0.0198 -0.0011 -0.0063 416 GLU A C 2634 O O . GLU A 334 ? 0.2288 0.2212 0.2472 -0.0196 -0.0011 -0.0054 416 GLU A O 2635 C CB . GLU A 334 ? 0.3374 0.3253 0.3538 -0.0188 -0.0013 -0.0094 416 GLU A CB 2636 C CG . GLU A 334 ? 0.4653 0.4511 0.4807 -0.0176 -0.0009 -0.0108 416 GLU A CG 2637 C CD . GLU A 334 ? 0.4743 0.4565 0.4900 -0.0175 -0.0006 -0.0108 416 GLU A CD 2638 O OE1 . GLU A 334 ? 0.5624 0.5433 0.5783 -0.0186 -0.0010 -0.0116 416 GLU A OE1 2639 O OE2 . GLU A 334 ? 0.6151 0.5958 0.6309 -0.0163 -0.0001 -0.0100 416 GLU A OE2 2640 N N . GLY A 335 ? 0.2407 0.2291 0.2594 -0.0211 -0.0014 -0.0063 417 GLY A N 2641 C CA . GLY A 335 ? 0.2318 0.2225 0.2516 -0.0226 -0.0018 -0.0052 417 GLY A CA 2642 C C . GLY A 335 ? 0.1957 0.1853 0.2161 -0.0232 -0.0013 -0.0036 417 GLY A C 2643 O O . GLY A 335 ? 0.2676 0.2545 0.2875 -0.0224 -0.0006 -0.0032 417 GLY A O 2644 N N A ASP A 336 ? 0.1690 0.1610 0.1904 -0.0245 -0.0015 -0.0025 418 ASP A N 2645 N N B ASP A 336 ? 0.1687 0.1607 0.1901 -0.0245 -0.0015 -0.0025 418 ASP A N 2646 C CA A ASP A 336 ? 0.2117 0.2030 0.2334 -0.0255 -0.0009 -0.0012 418 ASP A CA 2647 C CA B ASP A 336 ? 0.2117 0.2030 0.2334 -0.0255 -0.0009 -0.0011 418 ASP A CA 2648 C C A ASP A 336 ? 0.2031 0.1968 0.2249 -0.0248 0.0002 0.0002 418 ASP A C 2649 C C B ASP A 336 ? 0.2031 0.1967 0.2249 -0.0248 0.0002 0.0002 418 ASP A C 2650 O O A ASP A 336 ? 0.1761 0.1697 0.1985 -0.0254 0.0011 0.0012 418 ASP A O 2651 O O B ASP A 336 ? 0.1760 0.1695 0.1983 -0.0253 0.0011 0.0012 418 ASP A O 2652 C CB A ASP A 336 ? 0.2257 0.2178 0.2484 -0.0273 -0.0016 -0.0012 418 ASP A CB 2653 C CB B ASP A 336 ? 0.2257 0.2177 0.2483 -0.0273 -0.0015 -0.0011 418 ASP A CB 2654 C CG A ASP A 336 ? 0.3014 0.2907 0.3241 -0.0280 -0.0024 -0.0027 418 ASP A CG 2655 C CG B ASP A 336 ? 0.2828 0.2793 0.3071 -0.0275 -0.0022 -0.0005 418 ASP A CG 2656 O OD1 A ASP A 336 ? 0.2828 0.2688 0.3044 -0.0271 -0.0020 -0.0036 418 ASP A OD1 2657 O OD1 B ASP A 336 ? 0.2312 0.2303 0.2558 -0.0262 -0.0020 0.0000 418 ASP A OD1 2658 O OD2 A ASP A 336 ? 0.3654 0.3559 0.3895 -0.0292 -0.0033 -0.0032 418 ASP A OD2 2659 O OD2 B ASP A 336 ? 0.2967 0.2942 0.3234 -0.0285 -0.0030 -0.0004 418 ASP A OD2 2660 N N . CYS A 337 ? 0.1431 0.1388 0.1647 -0.0236 0.0002 0.0002 419 CYS A N 2661 C CA . CYS A 337 ? 0.1095 0.1075 0.1315 -0.0227 0.0012 0.0013 419 CYS A CA 2662 C C . CYS A 337 ? 0.1438 0.1419 0.1652 -0.0208 0.0012 0.0013 419 CYS A C 2663 O O . CYS A 337 ? 0.1561 0.1534 0.1769 -0.0203 0.0005 0.0002 419 CYS A O 2664 C CB . CYS A 337 ? 0.1583 0.1604 0.1818 -0.0232 0.0015 0.0011 419 CYS A CB 2665 S SG . CYS A 337 ? 0.1850 0.1894 0.2103 -0.0224 0.0010 -0.0008 419 CYS A SG 2666 N N . TYR A 338 ? 0.1318 0.1307 0.1535 -0.0197 0.0019 0.0026 420 TYR A N 2667 C CA . TYR A 338 ? 0.1235 0.1228 0.1447 -0.0180 0.0019 0.0027 420 TYR A CA 2668 C C . TYR A 338 ? 0.1355 0.1384 0.1572 -0.0178 0.0018 0.0027 420 TYR A C 2669 O O . TYR A 338 ? 0.1244 0.1297 0.1471 -0.0180 0.0021 0.0036 420 TYR A O 2670 C CB . TYR A 338 ? 0.1340 0.1325 0.1551 -0.0169 0.0026 0.0042 420 TYR A CB 2671 C CG . TYR A 338 ? 0.1395 0.1347 0.1602 -0.0167 0.0027 0.0044 420 TYR A CG 2672 C CD1 . TYR A 338 ? 0.1432 0.1358 0.1633 -0.0165 0.0024 0.0032 420 TYR A CD1 2673 C CD2 . TYR A 338 ? 0.1713 0.1660 0.1923 -0.0167 0.0033 0.0060 420 TYR A CD2 2674 C CE1 . TYR A 338 ? 0.1664 0.1559 0.1863 -0.0162 0.0025 0.0034 420 TYR A CE1 2675 C CE2 . TYR A 338 ? 0.1584 0.1501 0.1792 -0.0165 0.0034 0.0064 420 TYR A CE2 2676 C CZ . TYR A 338 ? 0.1752 0.1643 0.1955 -0.0162 0.0030 0.0051 420 TYR A CZ 2677 O OH . TYR A 338 ? 0.1618 0.1480 0.1820 -0.0158 0.0031 0.0055 420 TYR A OH 2678 N N . ARG A 339 ? 0.1162 0.1193 0.1373 -0.0172 0.0014 0.0018 421 ARG A N 2679 C CA . ARG A 339 ? 0.1238 0.1301 0.1454 -0.0168 0.0012 0.0018 421 ARG A CA 2680 C C . ARG A 339 ? 0.0976 0.1046 0.1190 -0.0153 0.0016 0.0030 421 ARG A C 2681 O O . ARG A 339 ? 0.1118 0.1170 0.1319 -0.0141 0.0018 0.0026 421 ARG A O 2682 C CB . ARG A 339 ? 0.1352 0.1416 0.1562 -0.0170 0.0005 0.0003 421 ARG A CB 2683 C CG . ARG A 339 ? 0.1321 0.1416 0.1532 -0.0165 0.0002 0.0004 421 ARG A CG 2684 C CD . ARG A 339 ? 0.1267 0.1359 0.1466 -0.0164 -0.0004 -0.0011 421 ARG A CD 2685 N NE . ARG A 339 ? 0.1475 0.1562 0.1677 -0.0175 -0.0010 -0.0022 421 ARG A NE 2686 C CZ . ARG A 339 ? 0.2373 0.2477 0.2571 -0.0179 -0.0017 -0.0030 421 ARG A CZ 2687 N NH1 . ARG A 339 ? 0.1204 0.1334 0.1397 -0.0173 -0.0018 -0.0028 421 ARG A NH1 2688 N NH2 . ARG A 339 ? 0.1890 0.1987 0.2089 -0.0189 -0.0022 -0.0041 421 ARG A NH2 2689 N N . ALA A 340 ? 0.0939 0.1036 0.1160 -0.0150 0.0019 0.0042 422 ALA A N 2690 C CA . ALA A 340 ? 0.1458 0.1563 0.1671 -0.0133 0.0025 0.0050 422 ALA A CA 2691 C C . ALA A 340 ? 0.0972 0.1078 0.1171 -0.0121 0.0022 0.0042 422 ALA A C 2692 O O . ALA A 340 ? 0.1179 0.1300 0.1380 -0.0124 0.0017 0.0036 422 ALA A O 2693 C CB . ALA A 340 ? 0.1234 0.1371 0.1457 -0.0133 0.0028 0.0062 422 ALA A CB 2694 N N . CYS A 341 ? 0.0884 0.0975 0.1070 -0.0107 0.0025 0.0042 423 CYS A N 2695 C CA . CYS A 341 ? 0.1076 0.1167 0.1250 -0.0096 0.0023 0.0037 423 CYS A CA 2696 C C . CYS A 341 ? 0.1004 0.1098 0.1171 -0.0081 0.0029 0.0043 423 CYS A C 2697 O O . CYS A 341 ? 0.0874 0.0966 0.1042 -0.0079 0.0034 0.0051 423 CYS A O 2698 C CB . CYS A 341 ? 0.1220 0.1286 0.1384 -0.0095 0.0020 0.0026 423 CYS A CB 2699 S SG . CYS A 341 ? 0.1370 0.1428 0.1540 -0.0111 0.0015 0.0014 423 CYS A SG 2700 N N . PHE A 342 ? 0.0882 0.0981 0.1041 -0.0071 0.0028 0.0040 424 PHE A N 2701 C CA . PHE A 342 ? 0.1051 0.1147 0.1201 -0.0057 0.0033 0.0043 424 PHE A CA 2702 C C . PHE A 342 ? 0.0906 0.0993 0.1044 -0.0049 0.0030 0.0037 424 PHE A C 2703 O O . PHE A 342 ? 0.0994 0.1084 0.1134 -0.0053 0.0025 0.0033 424 PHE A O 2704 C CB . PHE A 342 ? 0.0851 0.0972 0.1009 -0.0051 0.0037 0.0052 424 PHE A CB 2705 C CG . PHE A 342 ? 0.1254 0.1396 0.1419 -0.0049 0.0034 0.0053 424 PHE A CG 2706 C CD1 . PHE A 342 ? 0.1405 0.1566 0.1583 -0.0060 0.0030 0.0055 424 PHE A CD1 2707 C CD2 . PHE A 342 ? 0.0991 0.1133 0.1149 -0.0035 0.0035 0.0052 424 PHE A CD2 2708 C CE1 . PHE A 342 ? 0.1524 0.1707 0.1709 -0.0057 0.0027 0.0057 424 PHE A CE1 2709 C CE2 . PHE A 342 ? 0.1351 0.1513 0.1516 -0.0032 0.0032 0.0055 424 PHE A CE2 2710 C CZ . PHE A 342 ? 0.1270 0.1454 0.1449 -0.0042 0.0028 0.0058 424 PHE A CZ 2711 N N . TYR A 343 ? 0.1016 0.1095 0.1145 -0.0038 0.0034 0.0037 425 TYR A N 2712 C CA . TYR A 343 ? 0.0998 0.1068 0.1117 -0.0030 0.0032 0.0032 425 TYR A CA 2713 C C . TYR A 343 ? 0.0783 0.0861 0.0901 -0.0018 0.0037 0.0036 425 TYR A C 2714 O O . TYR A 343 ? 0.1040 0.1126 0.1160 -0.0015 0.0042 0.0040 425 TYR A O 2715 C CB . TYR A 343 ? 0.1018 0.1066 0.1126 -0.0029 0.0032 0.0026 425 TYR A CB 2716 C CG . TYR A 343 ? 0.1054 0.1097 0.1156 -0.0024 0.0037 0.0028 425 TYR A CG 2717 C CD1 . TYR A 343 ? 0.0911 0.0952 0.1005 -0.0014 0.0040 0.0026 425 TYR A CD1 2718 C CD2 . TYR A 343 ? 0.1115 0.1156 0.1220 -0.0029 0.0038 0.0031 425 TYR A CD2 2719 C CE1 . TYR A 343 ? 0.1029 0.1069 0.1117 -0.0010 0.0044 0.0027 425 TYR A CE1 2720 C CE2 . TYR A 343 ? 0.1168 0.1208 0.1267 -0.0025 0.0043 0.0034 425 TYR A CE2 2721 C CZ . TYR A 343 ? 0.1157 0.1198 0.1247 -0.0015 0.0045 0.0032 425 TYR A CZ 2722 O OH . TYR A 343 ? 0.1080 0.1122 0.1163 -0.0010 0.0049 0.0034 425 TYR A OH 2723 N N . VAL A 344 ? 0.0827 0.0902 0.0940 -0.0011 0.0035 0.0034 426 VAL A N 2724 C CA . VAL A 344 ? 0.0889 0.0964 0.1000 0.0002 0.0040 0.0035 426 VAL A CA 2725 C C . VAL A 344 ? 0.1062 0.1115 0.1160 0.0006 0.0039 0.0029 426 VAL A C 2726 O O . VAL A 344 ? 0.1156 0.1203 0.1252 0.0002 0.0035 0.0027 426 VAL A O 2727 C CB . VAL A 344 ? 0.0858 0.0951 0.0978 0.0008 0.0040 0.0041 426 VAL A CB 2728 C CG1 . VAL A 344 ? 0.1076 0.1167 0.1194 0.0023 0.0045 0.0041 426 VAL A CG1 2729 C CG2 . VAL A 344 ? 0.1144 0.1263 0.1279 0.0002 0.0040 0.0047 426 VAL A CG2 2730 N N . GLU A 345 ? 0.0782 0.0824 0.0871 0.0012 0.0044 0.0025 427 GLU A N 2731 C CA . GLU A 345 ? 0.0926 0.0948 0.1005 0.0015 0.0043 0.0019 427 GLU A CA 2732 C C . GLU A 345 ? 0.1160 0.1181 0.1241 0.0026 0.0045 0.0020 427 GLU A C 2733 O O . GLU A 345 ? 0.0968 0.0999 0.1053 0.0035 0.0049 0.0022 427 GLU A O 2734 C CB . GLU A 345 ? 0.1012 0.1027 0.1082 0.0018 0.0047 0.0013 427 GLU A CB 2735 C CG . GLU A 345 ? 0.1023 0.1018 0.1081 0.0021 0.0047 0.0005 427 GLU A CG 2736 C CD . GLU A 345 ? 0.1282 0.1274 0.1331 0.0025 0.0051 -0.0001 427 GLU A CD 2737 O OE1 . GLU A 345 ? 0.1333 0.1337 0.1383 0.0030 0.0056 0.0001 427 GLU A OE1 2738 O OE2 . GLU A 345 ? 0.1167 0.1145 0.1206 0.0021 0.0049 -0.0007 427 GLU A OE2 2739 N N . LEU A 346 ? 0.0822 0.0830 0.0900 0.0024 0.0041 0.0020 428 LEU A N 2740 C CA . LEU A 346 ? 0.0920 0.0923 0.0999 0.0034 0.0042 0.0023 428 LEU A CA 2741 C C . LEU A 346 ? 0.1146 0.1124 0.1215 0.0037 0.0044 0.0016 428 LEU A C 2742 O O . LEU A 346 ? 0.1075 0.1040 0.1139 0.0031 0.0040 0.0015 428 LEU A O 2743 C CB . LEU A 346 ? 0.0949 0.0960 0.1034 0.0030 0.0036 0.0031 428 LEU A CB 2744 C CG . LEU A 346 ? 0.1225 0.1260 0.1319 0.0024 0.0033 0.0035 428 LEU A CG 2745 C CD1 . LEU A 346 ? 0.1181 0.1223 0.1277 0.0018 0.0027 0.0041 428 LEU A CD1 2746 C CD2 . LEU A 346 ? 0.1387 0.1442 0.1492 0.0032 0.0036 0.0041 428 LEU A CD2 2747 N N . ILE A 347 ? 0.1018 0.0991 0.1084 0.0046 0.0049 0.0011 429 ILE A N 2748 C CA . ILE A 347 ? 0.0863 0.0812 0.0918 0.0047 0.0051 0.0002 429 ILE A CA 2749 C C . ILE A 347 ? 0.1156 0.1086 0.1212 0.0054 0.0051 0.0003 429 ILE A C 2750 O O . ILE A 347 ? 0.1065 0.1000 0.1128 0.0065 0.0054 0.0009 429 ILE A O 2751 C CB . ILE A 347 ? 0.1087 0.1038 0.1137 0.0055 0.0057 -0.0006 429 ILE A CB 2752 C CG1 . ILE A 347 ? 0.1017 0.0986 0.1066 0.0049 0.0058 -0.0006 429 ILE A CG1 2753 C CG2 . ILE A 347 ? 0.1415 0.1342 0.1453 0.0056 0.0059 -0.0018 429 ILE A CG2 2754 C CD1 . ILE A 347 ? 0.0891 0.0870 0.0936 0.0056 0.0064 -0.0011 429 ILE A CD1 2755 N N . ARG A 348 ? 0.0852 0.0762 0.0901 0.0047 0.0049 0.0000 430 ARG A N 2756 C CA . ARG A 348 ? 0.0954 0.0842 0.1003 0.0051 0.0049 0.0002 430 ARG A CA 2757 C C . ARG A 348 ? 0.1128 0.0991 0.1166 0.0050 0.0051 -0.0010 430 ARG A C 2758 O O . ARG A 348 ? 0.1253 0.1118 0.1284 0.0041 0.0050 -0.0019 430 ARG A O 2759 C CB . ARG A 348 ? 0.1231 0.1118 0.1281 0.0043 0.0043 0.0011 430 ARG A CB 2760 C CG . ARG A 348 ? 0.1160 0.1072 0.1218 0.0043 0.0040 0.0022 430 ARG A CG 2761 C CD . ARG A 348 ? 0.1105 0.1027 0.1174 0.0057 0.0042 0.0030 430 ARG A CD 2762 N NE . ARG A 348 ? 0.1147 0.1049 0.1218 0.0066 0.0044 0.0034 430 ARG A NE 2763 C CZ . ARG A 348 ? 0.1500 0.1401 0.1575 0.0067 0.0041 0.0047 430 ARG A CZ 2764 N NH1 . ARG A 348 ? 0.1440 0.1360 0.1516 0.0058 0.0035 0.0054 430 ARG A NH1 2765 N NH2 . ARG A 348 ? 0.1274 0.1153 0.1351 0.0076 0.0043 0.0052 430 ARG A NH2 2766 N N . GLY A 349 ? 0.0903 0.0744 0.0942 0.0058 0.0054 -0.0012 431 GLY A N 2767 C CA . GLY A 349 ? 0.1171 0.0987 0.1201 0.0055 0.0056 -0.0025 431 GLY A CA 2768 C C . GLY A 349 ? 0.1509 0.1325 0.1535 0.0066 0.0062 -0.0037 431 GLY A C 2769 O O . GLY A 349 ? 0.1186 0.1012 0.1218 0.0079 0.0066 -0.0034 431 GLY A O 2770 N N . ARG A 350 ? 0.1264 0.1071 0.1278 0.0060 0.0063 -0.0052 432 ARG A N 2771 C CA . ARG A 350 ? 0.1420 0.1224 0.1428 0.0069 0.0069 -0.0065 432 ARG A CA 2772 C C . ARG A 350 ? 0.1308 0.1145 0.1316 0.0074 0.0072 -0.0064 432 ARG A C 2773 O O . ARG A 350 ? 0.1267 0.1123 0.1276 0.0065 0.0068 -0.0057 432 ARG A O 2774 C CB . ARG A 350 ? 0.1159 0.0945 0.1154 0.0061 0.0069 -0.0082 432 ARG A CB 2775 C CG . ARG A 350 ? 0.1373 0.1123 0.1369 0.0059 0.0068 -0.0084 432 ARG A CG 2776 C CD . ARG A 350 ? 0.1421 0.1150 0.1405 0.0049 0.0067 -0.0102 432 ARG A CD 2777 N NE . ARG A 350 ? 0.1860 0.1553 0.1847 0.0051 0.0068 -0.0103 432 ARG A NE 2778 C CZ . ARG A 350 ? 0.3127 0.2803 0.3107 0.0049 0.0066 -0.0117 432 ARG A CZ 2779 N NH1 . ARG A 350 ? 0.2354 0.2038 0.2322 0.0047 0.0067 -0.0134 432 ARG A NH1 2780 N NH2 . ARG A 350 ? 0.2313 0.1962 0.2297 0.0051 0.0064 -0.0114 432 ARG A NH2 2781 N N . PRO A 351 ? 0.1084 0.0926 0.1092 0.0087 0.0079 -0.0070 433 PRO A N 2782 C CA . PRO A 351 ? 0.1408 0.1226 0.1414 0.0100 0.0085 -0.0081 433 PRO A CA 2783 C C . PRO A 351 ? 0.1774 0.1585 0.1794 0.0113 0.0087 -0.0070 433 PRO A C 2784 O O . PRO A 351 ? 0.1747 0.1531 0.1768 0.0123 0.0091 -0.0076 433 PRO A O 2785 C CB . PRO A 351 ? 0.1771 0.1608 0.1770 0.0108 0.0092 -0.0092 433 PRO A CB 2786 C CG . PRO A 351 ? 0.1504 0.1377 0.1510 0.0107 0.0091 -0.0078 433 PRO A CG 2787 C CD . PRO A 351 ? 0.1200 0.1075 0.1208 0.0091 0.0082 -0.0068 433 PRO A CD 2788 N N . LYS A 352 ? 0.1485 0.1320 0.1518 0.0114 0.0084 -0.0053 434 LYS A N 2789 C CA . LYS A 352 ? 0.1861 0.1697 0.1908 0.0129 0.0087 -0.0041 434 LYS A CA 2790 C C . LYS A 352 ? 0.2122 0.1929 0.2173 0.0128 0.0083 -0.0034 434 LYS A C 2791 O O . LYS A 352 ? 0.1917 0.1713 0.1977 0.0142 0.0086 -0.0028 434 LYS A O 2792 C CB . LYS A 352 ? 0.1440 0.1313 0.1498 0.0129 0.0085 -0.0026 434 LYS A CB 2793 C CG . LYS A 352 ? 0.1966 0.1868 0.2024 0.0134 0.0090 -0.0031 434 LYS A CG 2794 C CD . LYS A 352 ? 0.2587 0.2488 0.2650 0.0155 0.0099 -0.0036 434 LYS A CD 2795 C CE . LYS A 352 ? 0.2660 0.2596 0.2725 0.0161 0.0106 -0.0038 434 LYS A CE 2796 N NZ . LYS A 352 ? 0.3682 0.3618 0.3730 0.0153 0.0108 -0.0052 434 LYS A NZ 2797 N N . GLU A 353 ? 0.1455 0.1251 0.1500 0.0111 0.0076 -0.0032 435 GLU A N 2798 C CA . GLU A 353 ? 0.1467 0.1237 0.1515 0.0108 0.0073 -0.0024 435 GLU A CA 2799 C C . GLU A 353 ? 0.1863 0.1604 0.1899 0.0096 0.0072 -0.0037 435 GLU A C 2800 O O . GLU A 353 ? 0.1712 0.1455 0.1742 0.0079 0.0067 -0.0037 435 GLU A O 2801 C CB . GLU A 353 ? 0.1686 0.1475 0.1739 0.0098 0.0066 -0.0007 435 GLU A CB 2802 C CG . GLU A 353 ? 0.1605 0.1428 0.1670 0.0107 0.0066 0.0005 435 GLU A CG 2803 C CD . GLU A 353 ? 0.1419 0.1263 0.1487 0.0096 0.0059 0.0018 435 GLU A CD 2804 O OE1 . GLU A 353 ? 0.1555 0.1411 0.1617 0.0082 0.0056 0.0013 435 GLU A OE1 2805 O OE2 . GLU A 353 ? 0.1546 0.1396 0.1622 0.0100 0.0056 0.0032 435 GLU A OE2 2806 N N . ASP A 354 ? 0.1679 0.1391 0.1712 0.0104 0.0077 -0.0050 436 ASP A N 2807 C CA . ASP A 354 ? 0.2066 0.1756 0.2086 0.0092 0.0076 -0.0066 436 ASP A CA 2808 C C . ASP A 354 ? 0.2115 0.1777 0.2135 0.0082 0.0070 -0.0061 436 ASP A C 2809 O O . ASP A 354 ? 0.1934 0.1579 0.1946 0.0072 0.0067 -0.0074 436 ASP A O 2810 C CB . ASP A 354 ? 0.2069 0.1757 0.2082 0.0101 0.0080 -0.0085 436 ASP A CB 2811 C CG . ASP A 354 ? 0.3629 0.3299 0.3648 0.0116 0.0081 -0.0085 436 ASP A CG 2812 O OD1 . ASP A 354 ? 0.2779 0.2441 0.2809 0.0120 0.0079 -0.0069 436 ASP A OD1 2813 O OD2 . ASP A 354 ? 0.4905 0.4571 0.4918 0.0124 0.0084 -0.0101 436 ASP A OD2 2814 N N . LYS A 355 ? 0.1734 0.1394 0.1765 0.0084 0.0068 -0.0042 437 LYS A N 2815 C CA . LYS A 355 ? 0.2289 0.1926 0.2320 0.0073 0.0062 -0.0035 437 LYS A CA 2816 C C . LYS A 355 ? 0.2400 0.2042 0.2425 0.0052 0.0058 -0.0035 437 LYS A C 2817 O O . LYS A 355 ? 0.1918 0.1543 0.1940 0.0040 0.0054 -0.0035 437 LYS A O 2818 C CB . LYS A 355 ? 0.2622 0.2257 0.2664 0.0082 0.0061 -0.0013 437 LYS A CB 2819 C CG . LYS A 355 ? 0.3228 0.2852 0.3276 0.0101 0.0064 -0.0013 437 LYS A CG 2820 C CD . LYS A 355 ? 0.4243 0.3869 0.4302 0.0110 0.0062 0.0010 437 LYS A CD 2821 C CE . LYS A 355 ? 0.5405 0.5014 0.5470 0.0128 0.0064 0.0010 437 LYS A CE 2822 N NZ . LYS A 355 ? 0.6145 0.5768 0.6212 0.0142 0.0069 -0.0005 437 LYS A NZ 2823 N N . VAL A 356 ? 0.1757 0.1424 0.1781 0.0049 0.0060 -0.0036 438 VAL A N 2824 C CA . VAL A 356 ? 0.1361 0.1041 0.1379 0.0031 0.0055 -0.0039 438 VAL A CA 2825 C C . VAL A 356 ? 0.1578 0.1265 0.1586 0.0027 0.0056 -0.0058 438 VAL A C 2826 O O . VAL A 356 ? 0.1730 0.1419 0.1736 0.0040 0.0061 -0.0067 438 VAL A O 2827 C CB . VAL A 356 ? 0.1316 0.1030 0.1337 0.0027 0.0051 -0.0026 438 VAL A CB 2828 C CG1 . VAL A 356 ? 0.1694 0.1406 0.1723 0.0028 0.0049 -0.0006 438 VAL A CG1 2829 C CG2 . VAL A 356 ? 0.1511 0.1253 0.1534 0.0038 0.0053 -0.0027 438 VAL A CG2 2830 N N . TRP A 357 ? 0.1233 0.0924 0.1235 0.0011 0.0052 -0.0065 439 TRP A N 2831 C CA . TRP A 357 ? 0.1461 0.1158 0.1453 0.0007 0.0052 -0.0083 439 TRP A CA 2832 C C . TRP A 357 ? 0.1533 0.1266 0.1522 0.0004 0.0049 -0.0081 439 TRP A C 2833 O O . TRP A 357 ? 0.1557 0.1300 0.1537 0.0000 0.0049 -0.0093 439 TRP A O 2834 C CB . TRP A 357 ? 0.1495 0.1178 0.1481 -0.0009 0.0047 -0.0092 439 TRP A CB 2835 C CG . TRP A 357 ? 0.1860 0.1515 0.1846 -0.0005 0.0047 -0.0096 439 TRP A CG 2836 C CD1 . TRP A 357 ? 0.3329 0.2963 0.3322 -0.0006 0.0045 -0.0084 439 TRP A CD1 2837 C CD2 . TRP A 357 ? 0.1961 0.1604 0.1939 0.0001 0.0048 -0.0112 439 TRP A CD2 2838 N NE1 . TRP A 357 ? 0.3971 0.3580 0.3962 -0.0001 0.0045 -0.0092 439 TRP A NE1 2839 C CE2 . TRP A 357 ? 0.3331 0.2945 0.3312 0.0004 0.0046 -0.0110 439 TRP A CE2 2840 C CE3 . TRP A 357 ? 0.2391 0.2046 0.2359 0.0005 0.0050 -0.0129 439 TRP A CE3 2841 C CZ2 . TRP A 357 ? 0.3015 0.2610 0.2991 0.0010 0.0047 -0.0126 439 TRP A CZ2 2842 C CZ3 . TRP A 357 ? 0.3519 0.3158 0.3480 0.0011 0.0051 -0.0143 439 TRP A CZ3 2843 C CH2 . TRP A 357 ? 0.3597 0.3206 0.3562 0.0013 0.0049 -0.0142 439 TRP A CH2 2844 N N . TRP A 358 ? 0.1445 0.1197 0.1441 0.0006 0.0048 -0.0066 440 TRP A N 2845 C CA . TRP A 358 ? 0.1063 0.0846 0.1059 0.0003 0.0045 -0.0062 440 TRP A CA 2846 C C . TRP A 358 ? 0.1186 0.0988 0.1187 0.0016 0.0048 -0.0057 440 TRP A C 2847 O O . TRP A 358 ? 0.1343 0.1137 0.1349 0.0028 0.0052 -0.0053 440 TRP A O 2848 C CB . TRP A 358 ? 0.1004 0.0797 0.1005 -0.0008 0.0040 -0.0051 440 TRP A CB 2849 C CG . TRP A 358 ? 0.1220 0.1005 0.1229 -0.0005 0.0040 -0.0037 440 TRP A CG 2850 C CD1 . TRP A 358 ? 0.1233 0.0998 0.1244 -0.0012 0.0039 -0.0033 440 TRP A CD1 2851 C CD2 . TRP A 358 ? 0.1107 0.0906 0.1123 0.0004 0.0041 -0.0025 440 TRP A CD2 2852 N NE1 . TRP A 358 ? 0.1422 0.1188 0.1439 -0.0007 0.0039 -0.0018 440 TRP A NE1 2853 C CE2 . TRP A 358 ? 0.1464 0.1252 0.1485 0.0003 0.0040 -0.0014 440 TRP A CE2 2854 C CE3 . TRP A 358 ? 0.1212 0.1033 0.1231 0.0012 0.0042 -0.0023 440 TRP A CE3 2855 C CZ2 . TRP A 358 ? 0.1275 0.1075 0.1303 0.0010 0.0039 0.0000 440 TRP A CZ2 2856 C CZ3 . TRP A 358 ? 0.1166 0.0999 0.1194 0.0018 0.0041 -0.0010 440 TRP A CZ3 2857 C CH2 . TRP A 358 ? 0.1119 0.0942 0.1151 0.0018 0.0040 0.0001 440 TRP A CH2 2858 N N . THR A 359 ? 0.0936 0.0763 0.0936 0.0014 0.0047 -0.0056 441 THR A N 2859 C CA . THR A 359 ? 0.1214 0.1061 0.1219 0.0023 0.0049 -0.0048 441 THR A CA 2860 C C . THR A 359 ? 0.0948 0.0814 0.0957 0.0014 0.0044 -0.0040 441 THR A C 2861 O O . THR A 359 ? 0.1201 0.1073 0.1206 0.0006 0.0042 -0.0044 441 THR A O 2862 C CB . THR A 359 ? 0.0962 0.0822 0.0962 0.0029 0.0053 -0.0057 441 THR A CB 2863 O OG1 . THR A 359 ? 0.1237 0.1081 0.1233 0.0038 0.0058 -0.0066 441 THR A OG1 2864 C CG2 . THR A 359 ? 0.0948 0.0832 0.0954 0.0035 0.0054 -0.0047 441 THR A CG2 2865 N N . SER A 360 ? 0.1078 0.0954 0.1096 0.0017 0.0043 -0.0029 442 SER A N 2866 C CA . SER A 360 ? 0.0980 0.0874 0.1002 0.0010 0.0040 -0.0023 442 SER A CA 2867 C C . SER A 360 ? 0.1191 0.1100 0.1221 0.0016 0.0041 -0.0014 442 SER A C 2868 O O . SER A 360 ? 0.1285 0.1197 0.1319 0.0026 0.0045 -0.0014 442 SER A O 2869 C CB . SER A 360 ? 0.1026 0.0914 0.1049 0.0001 0.0036 -0.0019 442 SER A CB 2870 O OG . SER A 360 ? 0.1033 0.0935 0.1057 -0.0007 0.0033 -0.0018 442 SER A OG 2871 N N . ASN A 361 ? 0.1104 0.1026 0.1139 0.0010 0.0037 -0.0008 443 ASN A N 2872 C CA . ASN A 361 ? 0.1068 0.1008 0.1113 0.0013 0.0037 -0.0001 443 ASN A CA 2873 C C . ASN A 361 ? 0.1231 0.1178 0.1279 0.0005 0.0033 0.0004 443 ASN A C 2874 O O . ASN A 361 ? 0.1251 0.1193 0.1294 -0.0002 0.0030 0.0001 443 ASN A O 2875 C CB . ASN A 361 ? 0.0786 0.0739 0.0831 0.0015 0.0039 -0.0002 443 ASN A CB 2876 C CG . ASN A 361 ? 0.1087 0.1044 0.1131 0.0006 0.0037 -0.0004 443 ASN A CG 2877 O OD1 . ASN A 361 ? 0.1278 0.1227 0.1314 0.0003 0.0037 -0.0010 443 ASN A OD1 2878 N ND2 . ASN A 361 ? 0.0898 0.0867 0.0948 0.0001 0.0035 0.0000 443 ASN A ND2 2879 N N . SER A 362 ? 0.0880 0.0842 0.0935 0.0007 0.0032 0.0011 444 SER A N 2880 C CA . SER A 362 ? 0.1047 0.1022 0.1106 -0.0001 0.0027 0.0013 444 SER A CA 2881 C C . SER A 362 ? 0.0998 0.0989 0.1065 -0.0002 0.0028 0.0015 444 SER A C 2882 O O . SER A 362 ? 0.1162 0.1156 0.1231 0.0004 0.0032 0.0015 444 SER A O 2883 C CB . SER A 362 ? 0.1006 0.0986 0.1067 -0.0002 0.0024 0.0020 444 SER A CB 2884 O OG . SER A 362 ? 0.1330 0.1321 0.1399 0.0006 0.0025 0.0028 444 SER A OG 2885 N N . ILE A 363 ? 0.0927 0.0929 0.0997 -0.0010 0.0025 0.0015 445 ILE A N 2886 C CA . ILE A 363 ? 0.1006 0.1021 0.1084 -0.0013 0.0025 0.0016 445 ILE A CA 2887 C C . ILE A 363 ? 0.1049 0.1081 0.1134 -0.0016 0.0021 0.0021 445 ILE A C 2888 O O . ILE A 363 ? 0.0971 0.1005 0.1054 -0.0020 0.0017 0.0021 445 ILE A O 2889 C CB . ILE A 363 ? 0.1057 0.1066 0.1133 -0.0020 0.0024 0.0010 445 ILE A CB 2890 C CG1 . ILE A 363 ? 0.1208 0.1205 0.1277 -0.0017 0.0027 0.0007 445 ILE A CG1 2891 C CG2 . ILE A 363 ? 0.1507 0.1528 0.1592 -0.0026 0.0024 0.0012 445 ILE A CG2 2892 C CD1 . ILE A 363 ? 0.1134 0.1124 0.1201 -0.0023 0.0026 0.0002 445 ILE A CD1 2893 N N . VAL A 364 ? 0.0873 0.0920 0.0967 -0.0015 0.0022 0.0025 446 VAL A N 2894 C CA . VAL A 364 ? 0.0829 0.0896 0.0932 -0.0021 0.0018 0.0028 446 VAL A CA 2895 C C . VAL A 364 ? 0.0952 0.1026 0.1063 -0.0028 0.0019 0.0027 446 VAL A C 2896 O O . VAL A 364 ? 0.1270 0.1341 0.1382 -0.0024 0.0024 0.0028 446 VAL A O 2897 C CB . VAL A 364 ? 0.0841 0.0925 0.0951 -0.0014 0.0017 0.0036 446 VAL A CB 2898 C CG1 . VAL A 364 ? 0.1047 0.1139 0.1165 -0.0005 0.0023 0.0041 446 VAL A CG1 2899 C CG2 . VAL A 364 ? 0.1115 0.1223 0.1234 -0.0022 0.0011 0.0039 446 VAL A CG2 2900 N N . SER A 365 ? 0.1061 0.1143 0.1176 -0.0039 0.0015 0.0024 447 SER A N 2901 C CA . SER A 365 ? 0.1270 0.1354 0.1393 -0.0047 0.0016 0.0023 447 SER A CA 2902 C C . SER A 365 ? 0.1185 0.1290 0.1319 -0.0057 0.0012 0.0024 447 SER A C 2903 O O . SER A 365 ? 0.1265 0.1377 0.1396 -0.0061 0.0006 0.0021 447 SER A O 2904 C CB . SER A 365 ? 0.1107 0.1170 0.1223 -0.0052 0.0016 0.0015 447 SER A CB 2905 O OG . SER A 365 ? 0.2044 0.2106 0.2169 -0.0060 0.0018 0.0016 447 SER A OG 2906 N N . MET A 366 ? 0.0892 0.1008 0.1037 -0.0062 0.0013 0.0028 448 MET A N 2907 C CA . MET A 366 ? 0.0793 0.0929 0.0949 -0.0073 0.0009 0.0028 448 MET A CA 2908 C C . MET A 366 ? 0.1177 0.1306 0.1341 -0.0085 0.0010 0.0026 448 MET A C 2909 O O . MET A 366 ? 0.1084 0.1199 0.1247 -0.0083 0.0015 0.0029 448 MET A O 2910 C CB . MET A 366 ? 0.0722 0.0886 0.0890 -0.0068 0.0010 0.0038 448 MET A CB 2911 C CG . MET A 366 ? 0.2086 0.2254 0.2249 -0.0052 0.0011 0.0043 448 MET A CG 2912 S SD . MET A 366 ? 0.2401 0.2581 0.2560 -0.0051 0.0004 0.0043 448 MET A SD 2913 C CE . MET A 366 ? 0.1590 0.1810 0.1767 -0.0058 -0.0001 0.0050 448 MET A CE 2914 N N . CYS A 367 ? 0.1215 0.1355 0.1387 -0.0099 0.0005 0.0022 449 CYS A N 2915 C CA . CYS A 367 ? 0.1226 0.1360 0.1407 -0.0112 0.0006 0.0021 449 CYS A CA 2916 C C . CYS A 367 ? 0.1267 0.1431 0.1463 -0.0123 0.0002 0.0024 449 CYS A C 2917 O O . CYS A 367 ? 0.1170 0.1357 0.1368 -0.0121 -0.0002 0.0025 449 CYS A O 2918 C CB . CYS A 367 ? 0.1532 0.1642 0.1708 -0.0121 0.0003 0.0008 449 CYS A CB 2919 S SG . CYS A 367 ? 0.1459 0.1536 0.1621 -0.0110 0.0007 0.0004 449 CYS A SG 2920 N N . SER A 368 ? 0.1012 0.1178 0.1222 -0.0135 0.0004 0.0028 450 SER A N 2921 C CA . SER A 368 ? 0.0823 0.1021 0.1048 -0.0146 0.0001 0.0032 450 SER A CA 2922 C C . SER A 368 ? 0.0879 0.1080 0.1105 -0.0159 -0.0007 0.0020 450 SER A C 2923 O O . SER A 368 ? 0.1220 0.1396 0.1439 -0.0165 -0.0009 0.0008 450 SER A O 2924 C CB . SER A 368 ? 0.1065 0.1263 0.1302 -0.0152 0.0006 0.0040 450 SER A CB 2925 O OG . SER A 368 ? 0.1353 0.1521 0.1589 -0.0162 0.0007 0.0033 450 SER A OG 2926 N N . SER A 369 ? 0.1067 0.1299 0.1301 -0.0162 -0.0012 0.0022 451 SER A N 2927 C CA . SER A 369 ? 0.1190 0.1428 0.1425 -0.0173 -0.0020 0.0011 451 SER A CA 2928 C C . SER A 369 ? 0.1284 0.1536 0.1534 -0.0182 -0.0020 0.0014 451 SER A C 2929 O O . SER A 369 ? 0.1181 0.1453 0.1440 -0.0177 -0.0015 0.0027 451 SER A O 2930 C CB . SER A 369 ? 0.1138 0.1402 0.1367 -0.0168 -0.0026 0.0010 451 SER A CB 2931 O OG . SER A 369 ? 0.1383 0.1656 0.1611 -0.0179 -0.0034 0.0000 451 SER A OG 2932 N N . THR A 370 ? 0.1157 0.1401 0.1410 -0.0196 -0.0024 0.0004 452 THR A N 2933 C CA . THR A 370 ? 0.1311 0.1574 0.1580 -0.0207 -0.0025 0.0007 452 THR A CA 2934 C C . THR A 370 ? 0.1675 0.1975 0.1945 -0.0207 -0.0033 0.0007 452 THR A C 2935 O O . THR A 370 ? 0.1520 0.1843 0.1803 -0.0214 -0.0035 0.0011 452 THR A O 2936 C CB . THR A 370 ? 0.1671 0.1909 0.1946 -0.0222 -0.0027 -0.0004 452 THR A CB 2937 O OG1 . THR A 370 ? 0.1713 0.1941 0.1977 -0.0226 -0.0035 -0.0018 452 THR A OG1 2938 C CG2 . THR A 370 ? 0.1687 0.1889 0.1963 -0.0221 -0.0020 -0.0002 452 THR A CG2 2939 N N . GLU A 371 ? 0.1419 0.1727 0.1677 -0.0199 -0.0038 0.0004 453 GLU A N 2940 C CA . GLU A 371 ? 0.1356 0.1701 0.1614 -0.0196 -0.0044 0.0008 453 GLU A CA 2941 C C . GLU A 371 ? 0.1201 0.1569 0.1465 -0.0181 -0.0040 0.0025 453 GLU A C 2942 O O . GLU A 371 ? 0.1166 0.1520 0.1429 -0.0172 -0.0032 0.0031 453 GLU A O 2943 C CB . GLU A 371 ? 0.1305 0.1649 0.1546 -0.0193 -0.0050 0.0000 453 GLU A CB 2944 C CG . GLU A 371 ? 0.1805 0.2126 0.2038 -0.0206 -0.0054 -0.0018 453 GLU A CG 2945 C CD . GLU A 371 ? 0.2455 0.2790 0.2696 -0.0221 -0.0060 -0.0024 453 GLU A CD 2946 O OE1 . GLU A 371 ? 0.3145 0.3515 0.3393 -0.0221 -0.0064 -0.0017 453 GLU A OE1 2947 O OE2 . GLU A 371 ? 0.3990 0.4299 0.4231 -0.0233 -0.0061 -0.0037 453 GLU A OE2 2948 N N . PHE A 372 ? 0.1302 0.1706 0.1570 -0.0176 -0.0044 0.0031 454 PHE A N 2949 C CA . PHE A 372 ? 0.1144 0.1570 0.1417 -0.0159 -0.0041 0.0046 454 PHE A CA 2950 C C . PHE A 372 ? 0.1459 0.1893 0.1720 -0.0148 -0.0045 0.0048 454 PHE A C 2951 O O . PHE A 372 ? 0.1587 0.2049 0.1848 -0.0146 -0.0052 0.0051 454 PHE A O 2952 C CB . PHE A 372 ? 0.1473 0.1935 0.1760 -0.0160 -0.0042 0.0055 454 PHE A CB 2953 C CG . PHE A 372 ? 0.1406 0.1864 0.1706 -0.0170 -0.0037 0.0056 454 PHE A CG 2954 C CD1 . PHE A 372 ? 0.1855 0.2302 0.2159 -0.0189 -0.0040 0.0046 454 PHE A CD1 2955 C CD2 . PHE A 372 ? 0.1697 0.2163 0.2006 -0.0159 -0.0028 0.0068 454 PHE A CD2 2956 C CE1 . PHE A 372 ? 0.1655 0.2097 0.1972 -0.0198 -0.0034 0.0048 454 PHE A CE1 2957 C CE2 . PHE A 372 ? 0.1535 0.1998 0.1854 -0.0168 -0.0022 0.0070 454 PHE A CE2 2958 C CZ . PHE A 372 ? 0.1662 0.2114 0.1986 -0.0188 -0.0026 0.0061 454 PHE A CZ 2959 N N . LEU A 373 ? 0.1097 0.1506 0.1348 -0.0140 -0.0041 0.0047 455 LEU A N 2960 C CA . LEU A 373 ? 0.1148 0.1560 0.1387 -0.0132 -0.0046 0.0047 455 LEU A CA 2961 C C . LEU A 373 ? 0.1372 0.1804 0.1615 -0.0112 -0.0044 0.0063 455 LEU A C 2962 O O . LEU A 373 ? 0.1284 0.1717 0.1537 -0.0101 -0.0036 0.0071 455 LEU A O 2963 C CB . LEU A 373 ? 0.1097 0.1474 0.1323 -0.0133 -0.0042 0.0039 455 LEU A CB 2964 C CG . LEU A 373 ? 0.1076 0.1426 0.1297 -0.0150 -0.0043 0.0022 455 LEU A CG 2965 C CD1 . LEU A 373 ? 0.1583 0.1900 0.1792 -0.0148 -0.0039 0.0016 455 LEU A CD1 2966 C CD2 . LEU A 373 ? 0.1163 0.1526 0.1376 -0.0160 -0.0052 0.0012 455 LEU A CD2 2967 N N . GLY A 374 ? 0.1193 0.1641 0.1429 -0.0106 -0.0050 0.0066 456 GLY A N 2968 C CA . GLY A 374 ? 0.1092 0.1553 0.1332 -0.0085 -0.0048 0.0081 456 GLY A CA 2969 C C . GLY A 374 ? 0.1109 0.1545 0.1347 -0.0074 -0.0041 0.0084 456 GLY A C 2970 O O . GLY A 374 ? 0.1176 0.1578 0.1401 -0.0081 -0.0039 0.0072 456 GLY A O 2971 N N . GLN A 375 ? 0.0992 0.1430 0.1236 -0.0054 -0.0035 0.0095 457 GLN A N 2972 C CA . GLN A 375 ? 0.0989 0.1387 0.1222 -0.0041 -0.0026 0.0094 457 GLN A CA 2973 C C . GLN A 375 ? 0.1009 0.1393 0.1229 -0.0026 -0.0027 0.0100 457 GLN A C 2974 O O . GLN A 375 ? 0.1160 0.1570 0.1386 -0.0017 -0.0032 0.0111 457 GLN A O 2975 C CB . GLN A 375 ? 0.1191 0.1594 0.1437 -0.0029 -0.0017 0.0101 457 GLN A CB 2976 C CG . GLN A 375 ? 0.1255 0.1692 0.1515 -0.0013 -0.0017 0.0115 457 GLN A CG 2977 C CD . GLN A 375 ? 0.2452 0.2897 0.2725 -0.0001 -0.0008 0.0120 457 GLN A CD 2978 O OE1 . GLN A 375 ? 0.2402 0.2826 0.2671 -0.0005 0.0000 0.0114 457 GLN A OE1 2979 N NE2 . GLN A 375 ? 0.2799 0.3267 0.3082 0.0014 -0.0007 0.0130 457 GLN A NE2 2980 N N . TRP A 376 ? 0.1138 0.1482 0.1342 -0.0023 -0.0022 0.0094 458 TRP A N 2981 C CA . TRP A 376 ? 0.1317 0.1642 0.1511 -0.0007 -0.0021 0.0100 458 TRP A CA 2982 C C . TRP A 376 ? 0.1520 0.1816 0.1711 0.0005 -0.0011 0.0098 458 TRP A C 2983 O O . TRP A 376 ? 0.1854 0.2151 0.2052 0.0002 -0.0005 0.0094 458 TRP A O 2984 C CB . TRP A 376 ? 0.1203 0.1506 0.1378 -0.0016 -0.0024 0.0092 458 TRP A CB 2985 C CG . TRP A 376 ? 0.1219 0.1522 0.1387 -0.0006 -0.0027 0.0102 458 TRP A CG 2986 C CD1 . TRP A 376 ? 0.1072 0.1390 0.1248 0.0010 -0.0028 0.0117 458 TRP A CD1 2987 C CD2 . TRP A 376 ? 0.0932 0.1219 0.1083 -0.0011 -0.0030 0.0099 458 TRP A CD2 2988 N NE1 . TRP A 376 ? 0.1016 0.1326 0.1181 0.0015 -0.0031 0.0124 458 TRP A NE1 2989 C CE2 . TRP A 376 ? 0.1015 0.1307 0.1164 0.0001 -0.0032 0.0113 458 TRP A CE2 2990 C CE3 . TRP A 376 ? 0.0822 0.1090 0.0959 -0.0024 -0.0030 0.0086 458 TRP A CE3 2991 C CZ2 . TRP A 376 ? 0.1298 0.1580 0.1433 0.0000 -0.0035 0.0116 458 TRP A CZ2 2992 C CZ3 . TRP A 376 ? 0.1434 0.1693 0.1557 -0.0025 -0.0032 0.0087 458 TRP A CZ3 2993 C CH2 . TRP A 376 ? 0.1153 0.1419 0.1274 -0.0014 -0.0035 0.0102 458 TRP A CH2 2994 N N . ASN A 377 ? 0.1105 0.1377 0.1287 0.0018 -0.0008 0.0101 459 ASN A N 2995 C CA . ASN A 377 ? 0.0769 0.1010 0.0946 0.0027 0.0001 0.0097 459 ASN A CA 2996 C C . ASN A 377 ? 0.1004 0.1211 0.1163 0.0023 0.0002 0.0091 459 ASN A C 2997 O O . ASN A 377 ? 0.1049 0.1256 0.1201 0.0020 -0.0004 0.0094 459 ASN A O 2998 C CB . ASN A 377 ? 0.1100 0.1344 0.1285 0.0048 0.0006 0.0107 459 ASN A CB 2999 C CG . ASN A 377 ? 0.1486 0.1723 0.1666 0.0057 0.0002 0.0116 459 ASN A CG 3000 O OD1 . ASN A 377 ? 0.1310 0.1514 0.1479 0.0062 0.0005 0.0114 459 ASN A OD1 3001 N ND2 . ASN A 377 ? 0.1316 0.1586 0.1507 0.0059 -0.0005 0.0128 459 ASN A ND2 3002 N N . TRP A 378 ? 0.1089 0.1269 0.1240 0.0023 0.0008 0.0082 460 TRP A N 3003 C CA . TRP A 378 ? 0.1025 0.1176 0.1161 0.0016 0.0008 0.0074 460 TRP A CA 3004 C C . TRP A 378 ? 0.0776 0.0897 0.0904 0.0026 0.0014 0.0071 460 TRP A C 3005 O O . TRP A 378 ? 0.1424 0.1530 0.1548 0.0025 0.0019 0.0063 460 TRP A O 3006 C CB . TRP A 378 ? 0.0875 0.1024 0.1008 0.0002 0.0007 0.0064 460 TRP A CB 3007 C CG . TRP A 378 ? 0.0983 0.1157 0.1122 -0.0011 0.0001 0.0063 460 TRP A CG 3008 C CD1 . TRP A 378 ? 0.1201 0.1401 0.1354 -0.0015 0.0000 0.0065 460 TRP A CD1 3009 C CD2 . TRP A 378 ? 0.0923 0.1102 0.1055 -0.0021 -0.0006 0.0060 460 TRP A CD2 3010 N NE1 . TRP A 378 ? 0.1351 0.1569 0.1506 -0.0029 -0.0008 0.0063 460 TRP A NE1 3011 C CE2 . TRP A 378 ? 0.1101 0.1306 0.1243 -0.0032 -0.0011 0.0059 460 TRP A CE2 3012 C CE3 . TRP A 378 ? 0.1091 0.1255 0.1210 -0.0023 -0.0008 0.0058 460 TRP A CE3 3013 C CZ2 . TRP A 378 ? 0.1053 0.1269 0.1189 -0.0044 -0.0018 0.0054 460 TRP A CZ2 3014 C CZ3 . TRP A 378 ? 0.1092 0.1267 0.1206 -0.0034 -0.0014 0.0054 460 TRP A CZ3 3015 C CH2 . TRP A 378 ? 0.1148 0.1350 0.1270 -0.0044 -0.0019 0.0051 460 TRP A CH2 3016 N N . PRO A 379 ? 0.1068 0.1179 0.1194 0.0036 0.0014 0.0078 461 PRO A N 3017 C CA . PRO A 379 ? 0.1263 0.1342 0.1381 0.0045 0.0019 0.0075 461 PRO A CA 3018 C C . PRO A 379 ? 0.0826 0.0882 0.0930 0.0035 0.0019 0.0067 461 PRO A C 3019 O O . PRO A 379 ? 0.0974 0.1037 0.1074 0.0023 0.0014 0.0066 461 PRO A O 3020 C CB . PRO A 379 ? 0.1385 0.1462 0.1506 0.0057 0.0018 0.0087 461 PRO A CB 3021 C CG . PRO A 379 ? 0.1965 0.2077 0.2095 0.0055 0.0011 0.0098 461 PRO A CG 3022 C CD . PRO A 379 ? 0.1293 0.1420 0.1421 0.0039 0.0008 0.0090 461 PRO A CD 3023 N N . ASP A 380 ? 0.0863 0.0893 0.0960 0.0039 0.0024 0.0060 462 ASP A N 3024 C CA . ASP A 380 ? 0.1016 0.1025 0.1102 0.0030 0.0023 0.0054 462 ASP A CA 3025 C C . ASP A 380 ? 0.1041 0.1047 0.1122 0.0027 0.0019 0.0061 462 ASP A C 3026 O O . ASP A 380 ? 0.1246 0.1254 0.1321 0.0016 0.0016 0.0058 462 ASP A O 3027 C CB . ASP A 380 ? 0.1038 0.1021 0.1118 0.0036 0.0029 0.0047 462 ASP A CB 3028 C CG . ASP A 380 ? 0.1110 0.1072 0.1179 0.0028 0.0028 0.0042 462 ASP A CG 3029 O OD1 . ASP A 380 ? 0.1322 0.1286 0.1387 0.0018 0.0027 0.0035 462 ASP A OD1 3030 O OD2 . ASP A 380 ? 0.1224 0.1169 0.1291 0.0031 0.0028 0.0046 462 ASP A OD2 3031 N N . GLY A 381 ? 0.0890 0.0893 0.0976 0.0037 0.0019 0.0072 463 GLY A N 3032 C CA . GLY A 381 ? 0.1205 0.1210 0.1288 0.0035 0.0015 0.0083 463 GLY A CA 3033 C C . GLY A 381 ? 0.1214 0.1189 0.1289 0.0035 0.0017 0.0085 463 GLY A C 3034 O O . GLY A 381 ? 0.1278 0.1254 0.1352 0.0034 0.0014 0.0096 463 GLY A O 3035 N N . ALA A 382 ? 0.0895 0.0847 0.0966 0.0035 0.0021 0.0074 464 ALA A N 3036 C CA . ALA A 382 ? 0.0736 0.0660 0.0801 0.0032 0.0023 0.0075 464 ALA A CA 3037 C C . ALA A 382 ? 0.1157 0.1060 0.1226 0.0046 0.0026 0.0082 464 ALA A C 3038 O O . ALA A 382 ? 0.1206 0.1112 0.1283 0.0058 0.0029 0.0080 464 ALA A O 3039 C CB . ALA A 382 ? 0.1100 0.1008 0.1157 0.0024 0.0025 0.0060 464 ALA A CB 3040 N N . LYS A 383 ? 0.1564 0.1448 0.1631 0.0045 0.0026 0.0090 465 LYS A N 3041 C CA . LYS A 383 ? 0.1761 0.1618 0.1832 0.0057 0.0029 0.0096 465 LYS A CA 3042 C C . LYS A 383 ? 0.1533 0.1356 0.1598 0.0053 0.0033 0.0083 465 LYS A C 3043 O O . LYS A 383 ? 0.1533 0.1344 0.1591 0.0040 0.0032 0.0083 465 LYS A O 3044 C CB . LYS A 383 ? 0.1926 0.1781 0.1999 0.0059 0.0026 0.0116 465 LYS A CB 3045 C CG . LYS A 383 ? 0.2887 0.2778 0.2966 0.0063 0.0021 0.0130 465 LYS A CG 3046 C CD . LYS A 383 ? 0.4347 0.4236 0.4426 0.0065 0.0018 0.0151 465 LYS A CD 3047 C CE . LYS A 383 ? 0.5283 0.5157 0.5373 0.0084 0.0020 0.0164 465 LYS A CE 3048 N NZ . LYS A 383 ? 0.6232 0.6137 0.6333 0.0097 0.0018 0.0167 465 LYS A NZ 3049 N N . ILE A 384 ? 0.1416 0.1226 0.1483 0.0063 0.0038 0.0072 466 ILE A N 3050 C CA . ILE A 384 ? 0.1797 0.1577 0.1857 0.0060 0.0042 0.0058 466 ILE A CA 3051 C C . ILE A 384 ? 0.2018 0.1765 0.2077 0.0055 0.0042 0.0064 466 ILE A C 3052 O O . ILE A 384 ? 0.1871 0.1601 0.1922 0.0043 0.0042 0.0055 466 ILE A O 3053 C CB . ILE A 384 ? 0.2480 0.2252 0.2544 0.0075 0.0048 0.0046 466 ILE A CB 3054 C CG1 . ILE A 384 ? 0.2659 0.2457 0.2720 0.0072 0.0048 0.0035 466 ILE A CG1 3055 C CG2 . ILE A 384 ? 0.3923 0.3656 0.3981 0.0074 0.0052 0.0034 466 ILE A CG2 3056 C CD1 . ILE A 384 ? 0.2454 0.2247 0.2504 0.0057 0.0047 0.0022 466 ILE A CD1 3057 N N . GLU A 385 ? 0.2115 0.1855 0.2182 0.0066 0.0042 0.0080 467 GLU A N 3058 C CA . GLU A 385 ? 0.2266 0.1972 0.2332 0.0062 0.0043 0.0089 467 GLU A CA 3059 C C . GLU A 385 ? 0.2114 0.1821 0.2173 0.0042 0.0039 0.0093 467 GLU A C 3060 O O . GLU A 385 ? 0.2045 0.1723 0.2101 0.0033 0.0040 0.0093 467 GLU A O 3061 C CB . GLU A 385 ? 0.2724 0.2427 0.2799 0.0077 0.0042 0.0110 467 GLU A CB 3062 C CG . GLU A 385 ? 0.3809 0.3547 0.3885 0.0073 0.0036 0.0128 467 GLU A CG 3063 C CD . GLU A 385 ? 0.6938 0.6686 0.7025 0.0091 0.0035 0.0147 467 GLU A CD 3064 O OE1 . GLU A 385 ? 0.5847 0.5584 0.5934 0.0091 0.0033 0.0164 467 GLU A OE1 3065 O OE2 . GLU A 385 ? 0.7470 0.7241 0.7564 0.0103 0.0035 0.0145 467 GLU A OE2 3066 N N . TYR A 386 ? 0.1238 0.0980 0.1293 0.0034 0.0035 0.0095 468 TYR A N 3067 C CA . TYR A 386 ? 0.1545 0.1295 0.1594 0.0016 0.0032 0.0098 468 TYR A CA 3068 C C . TYR A 386 ? 0.1710 0.1446 0.1753 0.0003 0.0034 0.0080 468 TYR A C 3069 O O . TYR A 386 ? 0.1386 0.1118 0.1425 -0.0012 0.0033 0.0082 468 TYR A O 3070 C CB . TYR A 386 ? 0.1379 0.1170 0.1427 0.0012 0.0028 0.0102 468 TYR A CB 3071 C CG . TYR A 386 ? 0.1307 0.1117 0.1359 0.0019 0.0025 0.0122 468 TYR A CG 3072 C CD1 . TYR A 386 ? 0.1850 0.1640 0.1905 0.0025 0.0025 0.0139 468 TYR A CD1 3073 C CD2 . TYR A 386 ? 0.1066 0.0912 0.1117 0.0018 0.0021 0.0123 468 TYR A CD2 3074 C CE1 . TYR A 386 ? 0.2071 0.1881 0.2129 0.0032 0.0022 0.0159 468 TYR A CE1 3075 C CE2 . TYR A 386 ? 0.1320 0.1187 0.1374 0.0023 0.0017 0.0141 468 TYR A CE2 3076 C CZ . TYR A 386 ? 0.1767 0.1618 0.1825 0.0030 0.0017 0.0159 468 TYR A CZ 3077 O OH . TYR A 386 ? 0.1641 0.1516 0.1702 0.0036 0.0013 0.0178 468 TYR A OH 3078 N N . PHE A 387 ? 0.1425 0.1157 0.1467 0.0008 0.0036 0.0063 469 PHE A N 3079 C CA . PHE A 387 ? 0.1373 0.1097 0.1409 -0.0003 0.0037 0.0046 469 PHE A CA 3080 C C . PHE A 387 ? 0.2161 0.1845 0.2195 -0.0005 0.0040 0.0039 469 PHE A C 3081 O O . PHE A 387 ? 0.2171 0.1848 0.2201 -0.0015 0.0040 0.0024 469 PHE A O 3082 C CB . PHE A 387 ? 0.1459 0.1201 0.1492 0.0002 0.0038 0.0031 469 PHE A CB 3083 C CG . PHE A 387 ? 0.1300 0.1078 0.1334 -0.0001 0.0034 0.0034 469 PHE A CG 3084 C CD1 . PHE A 387 ? 0.1261 0.1060 0.1300 0.0008 0.0033 0.0043 469 PHE A CD1 3085 C CD2 . PHE A 387 ? 0.1499 0.1288 0.1527 -0.0014 0.0033 0.0026 469 PHE A CD2 3086 C CE1 . PHE A 387 ? 0.1495 0.1324 0.1534 0.0003 0.0030 0.0044 469 PHE A CE1 3087 C CE2 . PHE A 387 ? 0.1225 0.1044 0.1254 -0.0017 0.0030 0.0027 469 PHE A CE2 3088 C CZ . PHE A 387 ? 0.1432 0.1269 0.1466 -0.0009 0.0029 0.0035 469 PHE A CZ 3089 N N . LEU A 388 ? 0.1662 0.1323 0.1702 0.0006 0.0042 0.0049 470 LEU A N 3090 C CA . LEU A 388 ? 0.2866 0.2495 0.2903 0.0006 0.0042 0.0039 470 LEU A CA 3091 C C . LEU A 388 ? 0.3416 0.3030 0.3450 -0.0010 0.0038 0.0046 470 LEU A C 3092 O O . LEU A 388 ? 0.2721 0.2347 0.2757 -0.0018 0.0037 0.0062 470 LEU A O 3093 C CB . LEU A 388 ? 0.2205 0.1821 0.2247 0.0025 0.0044 0.0044 470 LEU A CB 3094 C CG . LEU A 388 ? 0.2747 0.2378 0.2793 0.0042 0.0048 0.0038 470 LEU A CG 3095 C CD1 . LEU A 388 ? 0.3103 0.2723 0.3155 0.0061 0.0050 0.0041 470 LEU A CD1 3096 C CD2 . LEU A 388 ? 0.2147 0.1782 0.2186 0.0037 0.0050 0.0015 470 LEU A CD2 3097 O OXT . LEU A 388 ? 0.3659 0.3251 0.3689 -0.0016 0.0037 0.0035 470 LEU A OXT 3098 C C1 . NAG B . ? 0.3616 0.3294 0.3829 -0.0107 0.0041 0.0104 501 NAG A C1 3099 C C2 . NAG B . ? 0.3341 0.2992 0.3554 -0.0104 0.0039 0.0085 501 NAG A C2 3100 C C3 . NAG B . ? 0.4229 0.3857 0.4446 -0.0088 0.0040 0.0092 501 NAG A C3 3101 C C4 . NAG B . ? 0.4113 0.3727 0.4334 -0.0092 0.0042 0.0114 501 NAG A C4 3102 C C5 . NAG B . ? 0.5211 0.4856 0.5430 -0.0096 0.0044 0.0132 501 NAG A C5 3103 C C6 . NAG B . ? 0.4618 0.4254 0.4841 -0.0099 0.0047 0.0156 501 NAG A C6 3104 C C7 . NAG B . ? 0.4048 0.3706 0.4254 -0.0107 0.0034 0.0045 501 NAG A C7 3105 C C8 . NAG B . ? 0.3142 0.2821 0.3342 -0.0104 0.0032 0.0029 501 NAG A C8 3106 N N2 . NAG B . ? 0.3226 0.2891 0.3434 -0.0099 0.0036 0.0066 501 NAG A N2 3107 O O3 . NAG B . ? 0.4268 0.3871 0.4486 -0.0086 0.0038 0.0073 501 NAG A O3 3108 O O4 . NAG B . ? 0.6051 0.5647 0.6275 -0.0076 0.0043 0.0123 501 NAG A O4 3109 O O5 . NAG B . ? 0.4155 0.3819 0.4373 -0.0111 0.0043 0.0123 501 NAG A O5 3110 O O6 . NAG B . ? 0.5435 0.5045 0.5663 -0.0114 0.0047 0.0152 501 NAG A O6 3111 O O7 . NAG B . ? 0.4557 0.4192 0.4765 -0.0117 0.0033 0.0039 501 NAG A O7 3112 C C1 . NAG C . ? 0.2792 0.2455 0.2756 -0.0043 0.0033 -0.0134 502 NAG A C1 3113 C C2 . NAG C . ? 0.3287 0.2922 0.3256 -0.0048 0.0030 -0.0128 502 NAG A C2 3114 C C3 . NAG C . ? 0.4633 0.4242 0.4597 -0.0039 0.0032 -0.0140 502 NAG A C3 3115 C C4 . NAG C . ? 0.4396 0.4013 0.4349 -0.0044 0.0030 -0.0161 502 NAG A C4 3116 C C5 . NAG C . ? 0.4568 0.4218 0.4514 -0.0040 0.0032 -0.0164 502 NAG A C5 3117 C C6 . NAG C . ? 0.4270 0.3931 0.4203 -0.0048 0.0028 -0.0182 502 NAG A C6 3118 C C7 . NAG C . ? 0.3611 0.3239 0.3597 -0.0057 0.0028 -0.0097 502 NAG A C7 3119 C C8 . NAG C . ? 0.4540 0.4167 0.4535 -0.0052 0.0031 -0.0077 502 NAG A C8 3120 N N2 . NAG C . ? 0.3402 0.3031 0.3382 -0.0045 0.0032 -0.0109 502 NAG A N2 3121 O O3 . NAG C . ? 0.5311 0.4892 0.5281 -0.0045 0.0029 -0.0135 502 NAG A O3 3122 O O4 . NAG C . ? 0.5920 0.5516 0.5867 -0.0034 0.0032 -0.0173 502 NAG A O4 3123 O O5 . NAG C . ? 0.4031 0.3702 0.3984 -0.0048 0.0031 -0.0151 502 NAG A O5 3124 O O6 . NAG C . ? 0.6395 0.6076 0.6319 -0.0038 0.0033 -0.0189 502 NAG A O6 3125 O O7 . NAG C . ? 0.4714 0.4346 0.4700 -0.0073 0.0024 -0.0101 502 NAG A O7 3126 C C1 . NAG D . ? 0.1528 0.1892 0.1325 0.0003 -0.0021 -0.0015 503 NAG A C1 3127 C C2 . NAG D . ? 0.1764 0.2151 0.1538 -0.0004 -0.0026 -0.0037 503 NAG A C2 3128 C C3 . NAG D . ? 0.1526 0.1950 0.1298 -0.0004 -0.0036 -0.0025 503 NAG A C3 3129 C C4 . NAG D . ? 0.1840 0.2271 0.1630 -0.0002 -0.0044 -0.0008 503 NAG A C4 3130 C C5 . NAG D . ? 0.1768 0.2172 0.1578 0.0007 -0.0037 0.0012 503 NAG A C5 3131 C C6 . NAG D . ? 0.1394 0.1795 0.1227 0.0011 -0.0043 0.0029 503 NAG A C6 3132 C C7 . NAG D . ? 0.2331 0.2699 0.2082 -0.0008 -0.0015 -0.0076 503 NAG A C7 3133 C C8 . NAG D . ? 0.2094 0.2461 0.1831 -0.0004 -0.0005 -0.0084 503 NAG A C8 3134 N N2 . NAG D . ? 0.1894 0.2281 0.1652 -0.0003 -0.0018 -0.0049 503 NAG A N2 3135 O O3 . NAG D . ? 0.1725 0.2158 0.1489 -0.0013 -0.0040 -0.0047 503 NAG A O3 3136 O O4 . NAG D . ? 0.1768 0.2230 0.1559 0.0001 -0.0051 0.0007 503 NAG A O4 3137 O O5 . NAG D . ? 0.1597 0.1962 0.1412 0.0004 -0.0029 -0.0003 503 NAG A O5 3138 O O6 . NAG D . ? 0.1476 0.1867 0.1319 0.0003 -0.0048 0.0012 503 NAG A O6 3139 O O7 . NAG D . ? 0.2756 0.3106 0.2512 -0.0016 -0.0019 -0.0093 503 NAG A O7 3140 C C1 . NAG E . ? 0.1779 0.2254 0.1580 -0.0005 -0.0061 0.0000 504 NAG A C1 3141 C C2 . NAG E . ? 0.1300 0.1805 0.1110 0.0003 -0.0067 0.0025 504 NAG A C2 3142 C C3 . NAG E . ? 0.1460 0.1977 0.1284 -0.0003 -0.0077 0.0019 504 NAG A C3 3143 C C4 . NAG E . ? 0.1451 0.1973 0.1264 -0.0017 -0.0080 -0.0010 504 NAG A C4 3144 C C5 . NAG E . ? 0.1698 0.2186 0.1501 -0.0023 -0.0072 -0.0032 504 NAG A C5 3145 C C6 . NAG E . ? 0.2530 0.3016 0.2322 -0.0036 -0.0074 -0.0060 504 NAG A C6 3146 C C7 . NAG E . ? 0.2008 0.2511 0.1825 0.0022 -0.0059 0.0072 504 NAG A C7 3147 C C8 . NAG E . ? 0.2040 0.2529 0.1873 0.0033 -0.0056 0.0100 504 NAG A C8 3148 N N2 . NAG E . ? 0.1514 0.2011 0.1336 0.0015 -0.0064 0.0052 504 NAG A N2 3149 O O3 . NAG E . ? 0.1414 0.1958 0.1248 0.0005 -0.0082 0.0041 504 NAG A O3 3150 O O4 . NAG E . ? 0.1411 0.1941 0.1238 -0.0023 -0.0087 -0.0016 504 NAG A O4 3151 O O5 . NAG E . ? 0.1724 0.2204 0.1515 -0.0016 -0.0064 -0.0025 504 NAG A O5 3152 O O6 . NAG E . ? 0.3194 0.3706 0.2971 -0.0035 -0.0074 -0.0060 504 NAG A O6 3153 O O7 . NAG E . ? 0.1967 0.2484 0.1769 0.0021 -0.0056 0.0068 504 NAG A O7 3154 C C1 . BMA F . ? 0.1773 0.2334 0.1596 -0.0029 -0.0094 -0.0020 505 BMA A C1 3155 C C2 . BMA F . ? 0.1880 0.2441 0.1716 -0.0040 -0.0100 -0.0035 505 BMA A C2 3156 C C3 . BMA F . ? 0.1927 0.2523 0.1762 -0.0046 -0.0108 -0.0037 505 BMA A C3 3157 C C4 . BMA F . ? 0.1862 0.2491 0.1700 -0.0033 -0.0111 -0.0011 505 BMA A C4 3158 C C5 . BMA F . ? 0.1701 0.2326 0.1526 -0.0023 -0.0104 0.0002 505 BMA A C5 3159 C C6 . BMA F . ? 0.1414 0.2068 0.1245 -0.0010 -0.0107 0.0031 505 BMA A C6 3160 O O2 . BMA F . ? 0.1725 0.2281 0.1582 -0.0033 -0.0102 -0.0020 505 BMA A O2 3161 O O3 . BMA F . ? 0.1926 0.2522 0.1778 -0.0054 -0.0113 -0.0045 505 BMA A O3 3162 O O4 . BMA F . ? 0.2089 0.2752 0.1923 -0.0039 -0.0117 -0.0016 505 BMA A O4 3163 O O5 . BMA F . ? 0.1490 0.2081 0.1319 -0.0018 -0.0097 0.0006 505 BMA A O5 3164 O O6 . BMA F . ? 0.1917 0.2573 0.1734 -0.0003 -0.0101 0.0042 505 BMA A O6 3165 C C1 . MAN G . ? 0.1462 0.2070 0.1306 -0.0068 -0.0117 -0.0065 506 MAN A C1 3166 C C2 . MAN G . ? 0.1888 0.2505 0.1752 -0.0076 -0.0123 -0.0068 506 MAN A C2 3167 C C3 . MAN G . ? 0.1784 0.2363 0.1658 -0.0082 -0.0118 -0.0077 506 MAN A C3 3168 C C4 . MAN G . ? 0.2051 0.2598 0.1909 -0.0093 -0.0114 -0.0102 506 MAN A C4 3169 C C5 . MAN G . ? 0.2327 0.2869 0.2165 -0.0084 -0.0108 -0.0099 506 MAN A C5 3170 C C6 . MAN G . ? 0.2947 0.3458 0.2768 -0.0093 -0.0103 -0.0124 506 MAN A C6 3171 O O2 . MAN G . ? 0.1759 0.2392 0.1613 -0.0090 -0.0127 -0.0085 506 MAN A O2 3172 O O3 . MAN G . ? 0.1622 0.2208 0.1516 -0.0088 -0.0122 -0.0078 506 MAN A O3 3173 O O4 . MAN G . ? 0.1826 0.2337 0.1693 -0.0098 -0.0109 -0.0110 506 MAN A O4 3174 O O5 . MAN G . ? 0.1780 0.2360 0.1610 -0.0079 -0.0113 -0.0089 506 MAN A O5 3175 O O6 . MAN G . ? 0.3464 0.3967 0.3271 -0.0083 -0.0096 -0.0119 506 MAN A O6 3176 C C1 . MAN H . ? 0.1587 0.2234 0.1457 -0.0099 -0.0133 -0.0089 507 MAN A C1 3177 C C2 . MAN H . ? 0.2505 0.3165 0.2363 -0.0114 -0.0137 -0.0109 507 MAN A C2 3178 C C3 . MAN H . ? 0.2649 0.3348 0.2495 -0.0108 -0.0141 -0.0099 507 MAN A C3 3179 C C4 . MAN H . ? 0.2450 0.3185 0.2313 -0.0097 -0.0146 -0.0075 507 MAN A C4 3180 C C5 . MAN H . ? 0.2130 0.2847 0.2006 -0.0082 -0.0142 -0.0056 507 MAN A C5 3181 C C6 . MAN H . ? 0.2205 0.2953 0.2099 -0.0070 -0.0146 -0.0031 507 MAN A C6 3182 O O2 . MAN H . ? 0.2123 0.2792 0.1995 -0.0126 -0.0142 -0.0115 507 MAN A O2 3183 O O3 . MAN H . ? 0.2320 0.3032 0.2153 -0.0122 -0.0146 -0.0118 507 MAN A O3 3184 O O4 . MAN H . ? 0.2409 0.3179 0.2260 -0.0090 -0.0150 -0.0063 507 MAN A O4 3185 O O5 . MAN H . ? 0.1973 0.2655 0.1859 -0.0090 -0.0138 -0.0067 507 MAN A O5 3186 O O6 . MAN H . ? 0.2133 0.2904 0.2039 -0.0081 -0.0152 -0.0038 507 MAN A O6 3187 C C1 . MAN I . ? 0.1912 0.2547 0.1782 -0.0142 -0.0140 -0.0138 508 MAN A C1 3188 C C2 . MAN I . ? 0.1988 0.2642 0.1872 -0.0155 -0.0146 -0.0143 508 MAN A C2 3189 C C3 . MAN I . ? 0.1655 0.2320 0.1563 -0.0147 -0.0146 -0.0124 508 MAN A C3 3190 C C4 . MAN I . ? 0.1890 0.2512 0.1805 -0.0145 -0.0139 -0.0126 508 MAN A C4 3191 C C5 . MAN I . ? 0.2332 0.2933 0.2231 -0.0133 -0.0133 -0.0122 508 MAN A C5 3192 C C6 . MAN I . ? 0.1998 0.2556 0.1902 -0.0131 -0.0126 -0.0124 508 MAN A C6 3193 O O2 . MAN I . ? 0.2064 0.2687 0.1947 -0.0172 -0.0145 -0.0165 508 MAN A O2 3194 O O3 . MAN I . ? 0.1970 0.2655 0.1892 -0.0158 -0.0152 -0.0128 508 MAN A O3 3195 O O4 . MAN I . ? 0.1584 0.2214 0.1520 -0.0137 -0.0139 -0.0109 508 MAN A O4 3196 O O5 . MAN I . ? 0.2000 0.2596 0.1877 -0.0139 -0.0133 -0.0138 508 MAN A O5 3197 O O6 . MAN I . ? 0.1934 0.2461 0.1836 -0.0147 -0.0124 -0.0145 508 MAN A O6 3198 C C1 . MAN J . ? 0.2153 0.2833 0.1952 -0.0009 -0.0103 0.0030 509 MAN A C1 3199 C C2 . MAN J . ? 0.2711 0.3390 0.2494 -0.0003 -0.0095 0.0039 509 MAN A C2 3200 C C3 . MAN J . ? 0.2366 0.3058 0.2159 0.0011 -0.0094 0.0073 509 MAN A C3 3201 C C4 . MAN J . ? 0.2509 0.3240 0.2309 0.0013 -0.0103 0.0085 509 MAN A C4 3202 C C5 . MAN J . ? 0.2052 0.2782 0.1866 0.0007 -0.0110 0.0073 509 MAN A C5 3203 C C6 . MAN J . ? 0.2809 0.3579 0.2631 0.0008 -0.0118 0.0083 509 MAN A C6 3204 O O2 . MAN J . ? 0.3016 0.3719 0.2781 -0.0010 -0.0097 0.0025 509 MAN A O2 3205 O O3 . MAN J . ? 0.2822 0.3517 0.2600 0.0015 -0.0087 0.0080 509 MAN A O3 3206 O O4 . MAN J . ? 0.2492 0.3229 0.2304 0.0027 -0.0102 0.0117 509 MAN A O4 3207 O O5 . MAN J . ? 0.1726 0.2444 0.1529 -0.0008 -0.0110 0.0041 509 MAN A O5 3208 O O6 . MAN J . ? 0.3095 0.3894 0.2898 0.0003 -0.0120 0.0076 509 MAN A O6 3209 C C1 . MAN K . ? 0.4341 0.5180 0.4150 0.0004 -0.0129 0.0085 510 MAN A C1 3210 C C2 . MAN K . ? 0.5583 0.6451 0.5371 -0.0006 -0.0131 0.0069 510 MAN A C2 3211 C C3 . MAN K . ? 0.5375 0.6243 0.5147 0.0000 -0.0124 0.0078 510 MAN A C3 3212 C C4 . MAN K . ? 0.5327 0.6208 0.5109 0.0016 -0.0124 0.0114 510 MAN A C4 3213 C C5 . MAN K . ? 0.5505 0.6357 0.5311 0.0024 -0.0122 0.0128 510 MAN A C5 3214 C C6 . MAN K . ? 0.6377 0.7236 0.6194 0.0040 -0.0121 0.0164 510 MAN A C6 3215 O O2 . MAN K . ? 0.4668 0.5578 0.4460 -0.0005 -0.0140 0.0079 510 MAN A O2 3216 O O3 . MAN K . ? 0.5715 0.6611 0.5467 -0.0008 -0.0127 0.0064 510 MAN A O3 3217 O O4 . MAN K . ? 0.6792 0.7670 0.6562 0.0021 -0.0117 0.0125 510 MAN A O4 3218 O O5 . MAN K . ? 0.4081 0.4935 0.3900 0.0019 -0.0129 0.0117 510 MAN A O5 3219 O O6 . MAN K . ? 0.8173 0.9035 0.7977 0.0044 -0.0115 0.0175 510 MAN A O6 3220 C C1 . MAN L . ? 0.2810 0.3478 0.2596 0.0024 -0.0080 0.0098 511 MAN A C1 3221 C C2 . MAN L . ? 0.3013 0.3692 0.2787 0.0029 -0.0073 0.0112 511 MAN A C2 3222 C C3 . MAN L . ? 0.3227 0.3904 0.2980 0.0021 -0.0068 0.0086 511 MAN A C3 3223 C C4 . MAN L . ? 0.4023 0.4662 0.3777 0.0016 -0.0063 0.0067 511 MAN A C4 3224 C C5 . MAN L . ? 0.2585 0.3213 0.2352 0.0011 -0.0071 0.0056 511 MAN A C5 3225 C C6 . MAN L . ? 0.3517 0.4106 0.3286 0.0007 -0.0065 0.0040 511 MAN A C6 3226 O O2 . MAN L . ? 0.3776 0.4431 0.3560 0.0037 -0.0066 0.0134 511 MAN A O2 3227 O O3 . MAN L . ? 0.4521 0.5208 0.4263 0.0025 -0.0061 0.0099 511 MAN A O3 3228 O O4 . MAN L . ? 0.4145 0.4780 0.3880 0.0009 -0.0059 0.0041 511 MAN A O4 3229 O O5 . MAN L . ? 0.2931 0.3564 0.2717 0.0019 -0.0075 0.0082 511 MAN A O5 3230 O O6 . MAN L . ? 0.2616 0.3197 0.2394 0.0000 -0.0072 0.0026 511 MAN A O6 3231 CA CA . CA M . ? 0.2892 0.3154 0.2936 0.0103 0.0147 0.0021 512 CA A CA 3232 O O . HOH N . ? 0.0396 0.0947 0.0526 0.0017 0.0181 0.0178 601 HOH A O 3233 O O . HOH N . ? 0.0688 0.0700 0.0796 -0.0041 0.0040 0.0040 602 HOH A O 3234 O O . HOH N . ? 0.0885 0.1107 0.1029 0.0074 0.0100 0.0055 603 HOH A O 3235 O O . HOH N . ? 0.1406 0.1410 0.1565 -0.0082 0.0044 0.0073 604 HOH A O 3236 O O . HOH N . ? 0.0996 0.1313 0.1196 -0.0085 -0.0026 0.0053 605 HOH A O 3237 O O . HOH N . ? 0.1058 0.1029 0.1115 0.0002 0.0019 0.0042 606 HOH A O 3238 O O . HOH N . ? 0.0901 0.0926 0.0977 -0.0009 0.0016 0.0031 607 HOH A O 3239 O O . HOH N . ? 0.1120 0.1302 0.1371 -0.0186 -0.0003 0.0018 608 HOH A O 3240 O O . HOH N . ? 0.2195 0.1986 0.2427 -0.0201 0.0052 0.0142 609 HOH A O 3241 O O . HOH N . ? 0.1314 0.1190 0.1457 0.0013 0.0029 0.0015 610 HOH A O 3242 O O . HOH N . ? 0.1255 0.1189 0.1404 -0.0069 0.0039 0.0064 611 HOH A O 3243 O O . HOH N . ? 0.1214 0.1128 0.1200 0.0020 0.0050 -0.0059 612 HOH A O 3244 O O . HOH N . ? 0.1151 0.0999 0.1240 0.0097 0.0042 0.0081 613 HOH A O 3245 O O . HOH N . ? 0.1573 0.1249 0.1581 -0.0016 0.0044 -0.0044 614 HOH A O 3246 O O . HOH N . ? 0.1175 0.1258 0.1176 0.0011 0.0008 0.0029 615 HOH A O 3247 O O . HOH N . ? 0.0996 0.1022 0.1038 -0.0049 0.0008 0.0003 616 HOH A O 3248 O O . HOH N . ? 0.1416 0.1619 0.1325 0.0010 -0.0004 0.0013 617 HOH A O 3249 O O . HOH N . ? 0.1043 0.0961 0.1069 -0.0032 0.0016 0.0092 618 HOH A O 3250 O O . HOH N . ? 0.1107 0.1012 0.1105 0.0005 0.0041 -0.0048 619 HOH A O 3251 O O . HOH N . ? 0.1089 0.1215 0.1060 0.0012 0.0003 0.0029 620 HOH A O 3252 O O . HOH N . ? 0.1348 0.1743 0.1560 0.0130 0.0134 0.0077 621 HOH A O 3253 O O . HOH N . ? 0.1138 0.1291 0.1297 0.0070 0.0022 0.0095 622 HOH A O 3254 O O . HOH N . ? 0.0967 0.0994 0.1025 0.0003 0.0051 0.0020 623 HOH A O 3255 O O . HOH N . ? 0.1227 0.1164 0.1373 -0.0076 0.0030 0.0025 624 HOH A O 3256 O O . HOH N . ? 0.1319 0.1440 0.1353 0.0002 0.0077 0.0091 625 HOH A O 3257 O O . HOH N . ? 0.1310 0.1668 0.1379 0.0135 0.0175 0.0022 626 HOH A O 3258 O O . HOH N . ? 0.1444 0.1420 0.1449 -0.0091 0.0022 0.0074 627 HOH A O 3259 O O . HOH N . ? 0.1322 0.1234 0.1462 -0.0057 0.0033 0.0038 628 HOH A O 3260 O O . HOH N . ? 0.1050 0.1337 0.1231 -0.0050 -0.0019 0.0065 629 HOH A O 3261 O O . HOH N . ? 0.1513 0.1610 0.1570 0.0110 0.0109 -0.0012 630 HOH A O 3262 O O . HOH N . ? 0.1153 0.1577 0.1422 -0.0083 -0.0017 0.0085 631 HOH A O 3263 O O . HOH N . ? 0.1153 0.1194 0.1268 -0.0042 0.0052 0.0071 632 HOH A O 3264 O O . HOH N . ? 0.1500 0.1768 0.1566 0.0126 0.0154 0.0013 633 HOH A O 3265 O O . HOH N . ? 0.1449 0.1417 0.1499 -0.0018 0.0025 -0.0001 634 HOH A O 3266 O O . HOH N . ? 0.1492 0.1772 0.1507 0.0123 0.0162 -0.0002 635 HOH A O 3267 O O . HOH N . ? 0.1240 0.1569 0.1500 -0.0118 0.0087 0.0159 636 HOH A O 3268 O O . HOH N . ? 0.1254 0.1317 0.1338 -0.0081 -0.0002 -0.0028 637 HOH A O 3269 O O . HOH N . ? 0.1473 0.1430 0.1455 0.0021 0.0052 -0.0051 638 HOH A O 3270 O O . HOH N . ? 0.1440 0.1367 0.1549 -0.0041 0.0025 -0.0013 639 HOH A O 3271 O O . HOH N . ? 0.1369 0.1828 0.1553 0.0027 0.0148 0.0134 640 HOH A O 3272 O O . HOH N . ? 0.1109 0.1074 0.1155 -0.0014 0.0029 -0.0006 641 HOH A O 3273 O O . HOH N . ? 0.1010 0.1038 0.1007 -0.0034 0.0003 -0.0049 642 HOH A O 3274 O O . HOH N . ? 0.1124 0.1128 0.1155 -0.0002 0.0040 0.0010 643 HOH A O 3275 O O . HOH N . ? 0.1365 0.1343 0.1555 -0.0159 0.0010 -0.0005 644 HOH A O 3276 O O . HOH N . ? 0.1336 0.1549 0.1194 0.0023 0.0038 0.0002 645 HOH A O 3277 O O . HOH N . ? 0.1558 0.1446 0.1705 -0.0098 0.0018 -0.0049 646 HOH A O 3278 O O . HOH N . ? 0.1331 0.1370 0.1301 -0.0018 0.0010 -0.0044 647 HOH A O 3279 O O . HOH N . ? 0.1814 0.2108 0.2081 -0.0149 0.0086 0.0171 648 HOH A O 3280 O O . HOH N . ? 0.1326 0.1783 0.1619 -0.0080 -0.0007 0.0096 649 HOH A O 3281 O O . HOH N . ? 0.1671 0.1613 0.1708 -0.0017 0.0026 -0.0007 650 HOH A O 3282 O O . HOH N . ? 0.1944 0.1651 0.1931 -0.0085 0.0023 -0.0092 651 HOH A O 3283 O O . HOH N . ? 0.1590 0.1487 0.1604 -0.0092 0.0016 -0.0048 652 HOH A O 3284 O O . HOH N . ? 0.1285 0.1162 0.1304 -0.0061 0.0024 -0.0001 653 HOH A O 3285 O O . HOH N . ? 0.1667 0.1574 0.1801 0.0004 0.0037 0.0148 654 HOH A O 3286 O O . HOH N . ? 0.1776 0.1990 0.2001 0.0168 0.0048 0.0125 655 HOH A O 3287 O O . HOH N . ? 0.1363 0.1255 0.1530 -0.0072 0.0040 0.0078 656 HOH A O 3288 O O . HOH N . ? 0.2059 0.2657 0.1877 0.0012 -0.0085 0.0062 657 HOH A O 3289 O O . HOH N . ? 0.1280 0.1548 0.1447 -0.0098 -0.0030 0.0028 658 HOH A O 3290 O O . HOH N . ? 0.1163 0.1348 0.1295 0.0045 0.0086 0.0055 659 HOH A O 3291 O O . HOH N . ? 0.1115 0.1242 0.1225 0.0039 0.0074 0.0041 660 HOH A O 3292 O O . HOH N . ? 0.1240 0.1281 0.1267 -0.0060 0.0008 0.0001 661 HOH A O 3293 O O . HOH N . ? 0.1313 0.1799 0.1570 0.0000 -0.0038 0.0136 662 HOH A O 3294 O O . HOH N . ? 0.1363 0.1210 0.1528 -0.0006 0.0040 0.0148 663 HOH A O 3295 O O . HOH N . ? 0.1425 0.1231 0.1612 -0.0065 0.0042 0.0111 664 HOH A O 3296 O O . HOH N . ? 0.1869 0.1846 0.2117 -0.0255 0.0029 0.0036 665 HOH A O 3297 O O . HOH N . ? 0.1515 0.1296 0.1482 0.0014 0.0054 -0.0110 666 HOH A O 3298 O O . HOH N . ? 0.1911 0.2011 0.2175 -0.0203 0.0049 0.0103 667 HOH A O 3299 O O . HOH N . ? 0.1349 0.1335 0.1422 0.0089 0.0071 0.0003 668 HOH A O 3300 O O . HOH N . ? 0.1544 0.1955 0.1863 -0.0164 0.0003 0.0082 669 HOH A O 3301 O O . HOH N . ? 0.1743 0.2037 0.1695 0.0037 0.0125 0.0102 670 HOH A O 3302 O O . HOH N . ? 0.1191 0.1360 0.1119 -0.0002 -0.0008 -0.0012 671 HOH A O 3303 O O . HOH N . ? 0.1406 0.1535 0.1395 0.0025 0.0080 0.0045 672 HOH A O 3304 O O . HOH N . ? 0.1072 0.1226 0.1156 0.0011 0.0088 0.0069 673 HOH A O 3305 O O . HOH N . ? 0.1269 0.1408 0.1512 -0.0171 0.0019 0.0045 674 HOH A O 3306 O O . HOH N . ? 0.1349 0.1633 0.1433 0.0059 0.0134 0.0070 675 HOH A O 3307 O O . HOH N . ? 0.1511 0.1484 0.1534 -0.0044 0.0015 -0.0042 676 HOH A O 3308 O O . HOH N . ? 0.1367 0.1255 0.1405 0.0089 0.0073 -0.0032 677 HOH A O 3309 O O . HOH N . ? 0.1428 0.1434 0.1613 -0.0136 0.0014 0.0003 678 HOH A O 3310 O O . HOH N . ? 0.2043 0.2396 0.1992 0.0012 0.0120 0.0205 679 HOH A O 3311 O O . HOH N . ? 0.1732 0.2109 0.1719 0.0082 0.0167 0.0058 680 HOH A O 3312 O O . HOH N . ? 0.1863 0.2213 0.1795 0.0045 0.0138 0.0104 681 HOH A O 3313 O O . HOH N . ? 0.2049 0.2099 0.2038 0.0072 0.0093 -0.0039 682 HOH A O 3314 O O . HOH N . ? 0.1646 0.1594 0.1694 0.0093 0.0078 -0.0023 683 HOH A O 3315 O O . HOH N . ? 0.1193 0.1472 0.1381 -0.0005 0.0091 0.0100 684 HOH A O 3316 O O . HOH N . ? 0.1691 0.1976 0.1932 0.0139 0.0049 0.0120 685 HOH A O 3317 O O . HOH N . ? 0.1675 0.1568 0.1732 0.0088 0.0065 -0.0006 686 HOH A O 3318 O O . HOH N . ? 0.1991 0.1995 0.2180 -0.0176 -0.0005 -0.0030 687 HOH A O 3319 O O . HOH N . ? 0.2067 0.2198 0.2234 -0.0111 0.0096 0.0254 688 HOH A O 3320 O O . HOH N . ? 0.1398 0.1359 0.1424 0.0079 0.0079 -0.0036 689 HOH A O 3321 O O . HOH N . ? 0.2116 0.2462 0.1940 0.0060 0.0116 0.0025 690 HOH A O 3322 O O . HOH N . ? 0.1664 0.1915 0.1598 0.0047 0.0014 0.0190 691 HOH A O 3323 O O . HOH N . ? 0.1665 0.1747 0.1548 0.0001 0.0030 -0.0084 692 HOH A O 3324 O O . HOH N . ? 0.2520 0.2669 0.2555 0.0013 0.0058 0.0330 693 HOH A O 3325 O O . HOH N . ? 0.1785 0.1641 0.1967 -0.0089 0.0039 0.0080 694 HOH A O 3326 O O . HOH N . ? 0.1476 0.1400 0.1466 0.0043 0.0063 -0.0059 695 HOH A O 3327 O O . HOH N . ? 0.2594 0.3070 0.3070 0.0170 0.0170 0.0127 696 HOH A O 3328 O O . HOH N . ? 0.1681 0.1595 0.1688 0.0062 0.0070 -0.0052 697 HOH A O 3329 O O . HOH N . ? 0.1730 0.1754 0.1781 -0.0066 0.0011 -0.0050 698 HOH A O 3330 O O . HOH N . ? 0.1112 0.1471 0.1288 0.0028 0.0126 0.0110 699 HOH A O 3331 O O . HOH N . ? 0.1963 0.1985 0.2130 -0.0132 0.0006 -0.0019 700 HOH A O 3332 O O . HOH N . ? 0.1960 0.2137 0.2124 0.0085 0.0004 0.0134 701 HOH A O 3333 O O . HOH N . ? 0.1704 0.1655 0.1760 0.0028 0.0004 0.0170 702 HOH A O 3334 O O . HOH N . ? 0.1615 0.1455 0.1803 -0.0080 0.0056 0.0212 703 HOH A O 3335 O O . HOH N . ? 0.2427 0.2253 0.2619 -0.0143 0.0027 0.0030 704 HOH A O 3336 O O . HOH N . ? 0.2988 0.2867 0.3209 -0.0169 0.0061 0.0179 705 HOH A O 3337 O O . HOH N . ? 0.1519 0.1726 0.1670 0.0016 0.0082 0.0072 706 HOH A O 3338 O O . HOH N . ? 0.1833 0.2010 0.1883 0.0088 -0.0017 0.0196 707 HOH A O 3339 O O . HOH N . ? 0.1675 0.2278 0.1883 0.0007 0.0176 0.0183 708 HOH A O 3340 O O . HOH N . ? 0.1762 0.1676 0.1786 -0.0114 0.0024 0.0009 709 HOH A O 3341 O O . HOH N . ? 0.1924 0.2178 0.1714 -0.0019 -0.0006 -0.0110 710 HOH A O 3342 O O . HOH N . ? 0.2029 0.2142 0.1857 -0.0006 0.0026 -0.0135 711 HOH A O 3343 O O . HOH N . ? 0.1949 0.1962 0.2012 0.0135 0.0104 -0.0026 712 HOH A O 3344 O O . HOH N . ? 0.2102 0.2593 0.2296 0.0167 0.0180 0.0062 713 HOH A O 3345 O O . HOH N . ? 0.2262 0.2308 0.2204 0.0026 0.0058 -0.0042 714 HOH A O 3346 O O . HOH N . ? 0.1820 0.1961 0.2121 -0.0240 -0.0001 0.0007 715 HOH A O 3347 O O . HOH N . ? 0.1660 0.1996 0.1598 0.0022 0.0121 0.0164 716 HOH A O 3348 O O . HOH N . ? 0.2075 0.2806 0.2436 0.0122 0.0143 0.0152 717 HOH A O 3349 O O . HOH N . ? 0.1973 0.2295 0.1897 0.0019 0.0102 0.0193 718 HOH A O 3350 O O . HOH N . ? 0.1832 0.1999 0.1948 -0.0114 -0.0025 -0.0022 719 HOH A O 3351 O O . HOH N . ? 0.1911 0.2064 0.2074 -0.0056 0.0072 0.0105 720 HOH A O 3352 O O . HOH N . ? 0.2052 0.2282 0.2078 0.0145 0.0160 -0.0025 721 HOH A O 3353 O O . HOH N . ? 0.2404 0.2589 0.2266 0.0055 0.0092 -0.0047 722 HOH A O 3354 O O . HOH N . ? 0.2486 0.3052 0.2758 -0.0077 0.0145 0.0217 723 HOH A O 3355 O O . HOH N . ? 0.1351 0.1366 0.1454 0.0063 0.0038 0.0053 724 HOH A O 3356 O O . HOH N . ? 0.1974 0.1713 0.1925 0.0022 0.0062 -0.0142 725 HOH A O 3357 O O . HOH N . ? 0.1521 0.1807 0.1722 -0.0027 -0.0002 0.0077 726 HOH A O 3358 O O . HOH N . ? 0.1809 0.1743 0.1907 -0.0019 0.0025 -0.0012 727 HOH A O 3359 O O . HOH N . ? 0.2437 0.2862 0.2406 0.0086 0.0178 0.0063 728 HOH A O 3360 O O . HOH N . ? 0.1749 0.2366 0.2046 0.0134 0.0152 0.0121 729 HOH A O 3361 O O . HOH N . ? 0.2676 0.2539 0.2640 -0.0059 0.0021 -0.0109 730 HOH A O 3362 O O . HOH N . ? 0.1838 0.2202 0.1658 0.0025 -0.0008 0.0058 731 HOH A O 3363 O O . HOH N . ? 0.1674 0.1659 0.1687 -0.0037 0.0012 -0.0045 732 HOH A O 3364 O O . HOH N . ? 0.2012 0.1939 0.1979 -0.0037 0.0021 -0.0085 733 HOH A O 3365 O O . HOH N . ? 0.1714 0.1683 0.1797 -0.0061 0.0017 -0.0059 734 HOH A O 3366 O O . HOH N . ? 0.2250 0.2631 0.2271 0.0149 0.0193 -0.0004 735 HOH A O 3367 O O . HOH N . ? 0.2489 0.2817 0.2395 0.0024 0.0087 0.0211 736 HOH A O 3368 O O . HOH N . ? 0.2366 0.2044 0.2399 -0.0043 0.0036 0.0064 737 HOH A O 3369 O O . HOH N . ? 0.1850 0.2264 0.2036 0.0213 0.0180 0.0026 738 HOH A O 3370 O O . HOH N . ? 0.1976 0.1926 0.2132 -0.0170 -0.0011 -0.0082 739 HOH A O 3371 O O . HOH N . ? 0.2268 0.2262 0.2431 0.0077 0.0017 0.0021 740 HOH A O 3372 O O . HOH N . ? 0.2456 0.2921 0.2386 0.0061 0.0170 0.0110 741 HOH A O 3373 O O . HOH N . ? 0.1977 0.1690 0.1996 -0.0021 0.0039 -0.0009 742 HOH A O 3374 O O . HOH N . ? 0.2601 0.2986 0.2577 0.0019 0.0143 0.0170 743 HOH A O 3375 O O . HOH N . ? 0.2596 0.2368 0.2683 0.0100 0.0043 0.0102 744 HOH A O 3376 O O . HOH N . ? 0.2508 0.2414 0.2625 -0.0015 0.0027 -0.0013 745 HOH A O 3377 O O . HOH N . ? 0.2056 0.2258 0.2026 0.0039 0.0035 0.0236 746 HOH A O 3378 O O . HOH N . ? 0.2005 0.2056 0.2084 0.0064 0.0018 0.0256 747 HOH A O 3379 O O . HOH N . ? 0.1988 0.2000 0.1953 0.0015 0.0048 -0.0039 748 HOH A O 3380 O O . HOH N . ? 0.2093 0.2243 0.2090 0.0016 0.0082 0.0081 749 HOH A O 3381 O O . HOH N . ? 0.2585 0.2524 0.2748 0.0067 0.0023 0.0019 750 HOH A O 3382 O O . HOH N . ? 0.3079 0.3001 0.3285 -0.0141 0.0064 0.0190 751 HOH A O 3383 O O . HOH N . ? 0.2433 0.2788 0.2721 -0.0158 0.0095 0.0190 752 HOH A O 3384 O O . HOH N . ? 0.2209 0.2772 0.2389 -0.0007 0.0173 0.0193 753 HOH A O 3385 O O . HOH N . ? 0.1564 0.1477 0.1591 -0.0020 0.0027 -0.0011 754 HOH A O 3386 O O . HOH N . ? 0.2166 0.2352 0.1955 0.0001 0.0028 -0.0131 755 HOH A O 3387 O O . HOH N . ? 0.2059 0.2071 0.2059 0.0057 0.0078 -0.0035 756 HOH A O 3388 O O . HOH N . ? 0.2089 0.1952 0.2255 0.0041 0.0034 0.0239 757 HOH A O 3389 O O . HOH N . ? 0.2382 0.2888 0.2729 -0.0144 0.0008 0.0107 758 HOH A O 3390 O O . HOH N . ? 0.1792 0.2462 0.2120 0.0019 0.0135 0.0169 759 HOH A O 3391 O O . HOH N . ? 0.1919 0.2074 0.2209 -0.0221 0.0037 0.0079 760 HOH A O 3392 O O . HOH N . ? 0.2417 0.2387 0.2686 -0.0289 0.0035 0.0035 761 HOH A O 3393 O O . HOH N . ? 0.2656 0.2729 0.2821 -0.0117 0.0097 0.0335 762 HOH A O 3394 O O . HOH N . ? 0.2586 0.2599 0.2631 -0.0056 0.0020 -0.0049 763 HOH A O 3395 O O . HOH N . ? 0.2329 0.2366 0.2468 0.0094 0.0000 0.0120 764 HOH A O 3396 O O . HOH N . ? 0.2107 0.2059 0.2146 0.0117 0.0094 -0.0043 765 HOH A O 3397 O O . HOH N . ? 0.2496 0.2150 0.2709 -0.0041 0.0040 0.0095 766 HOH A O 3398 O O . HOH N . ? 0.2466 0.2230 0.2666 0.0031 0.0036 0.0103 767 HOH A O 3399 O O . HOH N . ? 0.2004 0.2422 0.1941 0.0049 0.0155 0.0119 768 HOH A O 3400 O O . HOH N . ? 0.2046 0.2068 0.2123 0.0010 0.0010 0.0004 769 HOH A O 3401 O O . HOH N . ? 0.2315 0.2621 0.2432 0.0208 0.0180 -0.0016 770 HOH A O 3402 O O . HOH N . ? 0.2302 0.2825 0.2579 -0.0111 -0.0051 0.0083 771 HOH A O 3403 O O . HOH N . ? 0.2421 0.2859 0.2691 -0.0202 -0.0061 0.0016 772 HOH A O 3404 O O . HOH N . ? 0.2305 0.2425 0.2464 -0.0109 0.0098 0.0286 773 HOH A O 3405 O O . HOH N . ? 0.2300 0.2494 0.2277 0.0049 0.0019 0.0216 774 HOH A O 3406 O O . HOH N . ? 0.2962 0.3364 0.3364 0.0189 0.0189 0.0071 775 HOH A O 3407 O O . HOH N . ? 0.2356 0.2316 0.2458 -0.0083 0.0012 -0.0069 776 HOH A O 3408 O O . HOH N . ? 0.2388 0.2366 0.2479 0.0015 0.0017 0.0024 777 HOH A O 3409 O O . HOH N . ? 0.2358 0.2846 0.2636 0.0034 -0.0021 0.0148 778 HOH A O 3410 O O . HOH N . ? 0.2090 0.2475 0.2430 -0.0215 -0.0002 0.0067 779 HOH A O 3411 O O . HOH N . ? 0.2621 0.3223 0.2809 0.0079 0.0189 0.0131 780 HOH A O 3412 O O . HOH N . ? 0.2750 0.2973 0.2755 0.0189 0.0184 -0.0079 781 HOH A O 3413 O O . HOH N . ? 0.2105 0.2100 0.2207 0.0069 0.0027 0.0081 782 HOH A O 3414 O O . HOH N . ? 0.3133 0.3520 0.3131 -0.0003 0.0139 0.0218 783 HOH A O 3415 O O . HOH N . ? 0.2310 0.2296 0.2418 0.0091 0.0042 0.0064 784 HOH A O 3416 O O . HOH N . ? 0.2878 0.3305 0.3027 -0.0068 0.0149 0.0250 785 HOH A O 3417 O O . HOH N . ? 0.2789 0.2852 0.3068 -0.0247 0.0032 0.0044 786 HOH A O 3418 O O . HOH N . ? 0.2820 0.2906 0.3009 -0.0129 0.0087 0.0232 787 HOH A O 3419 O O . HOH N . ? 0.2527 0.2509 0.2663 -0.0114 0.0006 -0.0048 788 HOH A O 3420 O O . HOH N . ? 0.1584 0.1991 0.1789 0.0013 0.0125 0.0126 789 HOH A O 3421 O O . HOH N . ? 0.2998 0.3235 0.2798 0.0074 0.0111 -0.0097 790 HOH A O 3422 O O . HOH N . ? 0.3773 0.3832 0.3759 0.0026 0.0065 -0.0001 791 HOH A O 3423 O O . HOH N . ? 0.2440 0.2958 0.2478 0.0010 0.0177 0.0203 792 HOH A O 3424 O O . HOH N . ? 0.2518 0.2610 0.2502 0.0023 0.0069 0.0024 793 HOH A O 3425 O O . HOH N . ? 0.3171 0.3540 0.2985 0.0076 0.0136 -0.0004 794 HOH A O 3426 O O . HOH N . ? 0.2275 0.2468 0.2296 0.0172 0.0165 -0.0057 795 HOH A O 3427 O O . HOH N . ? 0.4164 0.3753 0.4091 0.0005 0.0044 -0.0203 796 HOH A O 3428 O O . HOH N . ? 0.1999 0.2012 0.2085 0.0001 0.0015 -0.0021 797 HOH A O 3429 O O . HOH N . ? 0.2292 0.2984 0.2552 -0.0010 0.0181 0.0208 798 HOH A O 3430 O O . HOH N . ? 0.3036 0.3116 0.3247 -0.0136 0.0067 0.0150 799 HOH A O 3431 O O . HOH N . ? 0.2261 0.2354 0.2455 -0.0126 0.0082 0.0200 800 HOH A O 3432 O O . HOH N . ? 0.3097 0.3698 0.2932 0.0037 -0.0079 0.0122 801 HOH A O 3433 O O . HOH N . ? 0.3155 0.3114 0.3166 0.0103 0.0095 -0.0060 802 HOH A O 3434 O O . HOH N . ? 0.2240 0.2494 0.2446 0.0205 0.0121 0.0052 803 HOH A O 3435 O O . HOH N . ? 0.3200 0.3172 0.3113 -0.0084 -0.0003 -0.0159 804 HOH A O 3436 O O . HOH N . ? 0.2752 0.2899 0.2987 -0.0193 -0.0014 -0.0008 805 HOH A O 3437 O O . HOH N . ? 0.2841 0.2585 0.3020 -0.0062 0.0031 -0.0017 806 HOH A O 3438 O O . HOH N . ? 0.2668 0.2733 0.2703 0.0008 0.0002 0.0014 807 HOH A O 3439 O O . HOH N . ? 0.3068 0.3578 0.2833 0.0010 -0.0043 0.0028 808 HOH A O 3440 O O . HOH N . ? 0.2908 0.3017 0.3064 0.0106 0.0020 0.0122 809 HOH A O 3441 O O . HOH N . ? 0.4010 0.4412 0.3897 0.0042 0.0133 0.0130 810 HOH A O 3442 O O . HOH N . ? 0.2075 0.2351 0.1981 0.0040 0.0028 0.0180 811 HOH A O 3443 O O . HOH N . ? 0.2933 0.2818 0.3118 0.0086 0.0023 0.0091 812 HOH A O 3444 O O . HOH N . ? 0.2839 0.3318 0.3083 -0.0101 0.0140 0.0232 813 HOH A O 3445 O O . HOH N . ? 0.2531 0.2898 0.2472 0.0029 0.0135 0.0149 814 HOH A O 3446 O O . HOH N . ? 0.2785 0.2487 0.2842 0.0113 0.0071 -0.0008 815 HOH A O 3447 O O . HOH N . ? 0.2922 0.3240 0.3263 -0.0226 0.0060 0.0141 816 HOH A O 3448 O O . HOH N . ? 0.1863 0.2200 0.2172 -0.0176 0.0020 0.0085 817 HOH A O 3449 O O . HOH N . ? 0.3817 0.3659 0.4002 -0.0066 0.0060 0.0274 818 HOH A O 3450 O O . HOH N . ? 0.2224 0.2623 0.2535 -0.0132 0.0053 0.0126 819 HOH A O 3451 O O . HOH N . ? 0.3040 0.3621 0.3107 0.0068 0.0203 0.0135 820 HOH A O 3452 O O . HOH N . ? 0.3393 0.3253 0.3420 0.0160 0.0112 -0.0085 821 HOH A O 3453 O O . HOH N . ? 0.2059 0.1807 0.2245 -0.0080 0.0031 0.0015 822 HOH A O 3454 O O . HOH N . ? 0.2551 0.3067 0.2540 0.0067 0.0190 0.0117 823 HOH A O 3455 O O . HOH N . ? 0.3088 0.3459 0.3219 -0.0068 0.0139 0.0251 824 HOH A O 3456 O O . HOH N . ? 0.3263 0.3846 0.3565 0.0091 0.0127 0.0131 825 HOH A O 3457 O O . HOH N . ? 0.2809 0.2996 0.2901 -0.0062 0.0101 0.0308 826 HOH A O 3458 O O . HOH N . ? 0.3320 0.2969 0.3366 0.0001 0.0037 0.0102 827 HOH A O 3459 O O . HOH N . ? 0.3149 0.3426 0.3141 -0.0006 0.0091 0.0306 828 HOH A O 3460 O O . HOH N . ? 0.2212 0.2214 0.2261 -0.0043 0.0017 -0.0039 829 HOH A O 3461 O O . HOH N . ? 0.2819 0.2558 0.3018 -0.0134 0.0031 0.0042 830 HOH A O 3462 O O . HOH N . ? 0.3671 0.3711 0.3883 -0.0198 -0.0015 -0.0026 831 HOH A O 3463 O O . HOH N . ? 0.2684 0.2904 0.2999 -0.0229 0.0026 0.0069 832 HOH A O 3464 O O . HOH N . ? 0.3323 0.3647 0.3537 0.0219 0.0142 0.0045 833 HOH A O 3465 O O . HOH N . ? 0.3061 0.3533 0.3016 0.0075 0.0182 0.0089 834 HOH A O 3466 O O . HOH N . ? 0.2538 0.2518 0.2697 -0.0137 0.0004 -0.0046 835 HOH A O 3467 O O . HOH N . ? 0.3611 0.3912 0.3516 0.0139 0.0180 -0.0069 836 HOH A O 3468 O O . HOH N . ? 0.2773 0.3137 0.2996 0.0043 -0.0016 0.0135 837 HOH A O 3469 O O . HOH N . ? 0.3540 0.4202 0.3845 -0.0066 0.0156 0.0223 838 HOH A O 3470 O O . HOH N . ? 0.3063 0.3039 0.3140 -0.0034 0.0025 -0.0065 839 HOH A O 3471 O O . HOH N . ? 0.2443 0.2164 0.2439 -0.0040 0.0037 -0.0065 840 HOH A O 3472 O O . HOH N . ? 0.3568 0.4068 0.3323 -0.0012 -0.0052 -0.0031 841 HOH A O 3473 O O . HOH N . ? 0.3386 0.3358 0.3560 -0.0196 -0.0021 -0.0079 842 HOH A O 3474 O O . HOH N . ? 0.2493 0.2509 0.2694 -0.0142 0.0079 0.0228 843 HOH A O 3475 O O . HOH N . ? 0.2508 0.2653 0.2540 0.0070 0.0000 0.0208 844 HOH A O 3476 O O . HOH N . ? 0.3653 0.3403 0.3651 0.0126 0.0098 -0.0115 845 HOH A O 3477 O O . HOH N . ? 0.3492 0.3726 0.3742 -0.0154 0.0086 0.0179 846 HOH A O 3478 O O . HOH N . ? 0.3412 0.3646 0.3192 0.0033 0.0060 -0.0092 847 HOH A O 3479 O O . HOH N . ? 0.2619 0.2555 0.2568 -0.0015 0.0031 -0.0092 848 HOH A O 3480 O O . HOH N . ? 0.3395 0.3580 0.3625 0.0209 0.0068 0.0115 849 HOH A O 3481 O O . HOH N . ? 0.3488 0.3305 0.3511 -0.0067 0.0026 0.0102 850 HOH A O 3482 O O . HOH N . ? 0.2680 0.2727 0.2557 -0.0009 0.0027 -0.0117 851 HOH A O 3483 O O . HOH N . ? 0.2772 0.3247 0.2623 -0.0035 -0.0086 -0.0038 852 HOH A O 3484 O O . HOH N . ? 0.2896 0.2683 0.3096 -0.0085 0.0056 0.0227 853 HOH A O 3485 O O . HOH N . ? 0.2575 0.3217 0.2709 0.0078 0.0211 0.0139 854 HOH A O 3486 O O . HOH N . ? 0.3334 0.3380 0.3373 0.0129 0.0114 -0.0040 855 HOH A O 3487 O O . HOH N . ? 0.3053 0.3237 0.3277 -0.0134 0.0081 0.0167 856 HOH A O 3488 O O . HOH N . ? 0.2718 0.2435 0.2661 -0.0015 0.0046 -0.0155 857 HOH A O 3489 O O . HOH N . ? 0.2986 0.3558 0.3186 -0.0044 0.0170 0.0226 858 HOH A O 3490 O O . HOH N . ? 0.3184 0.3118 0.3148 0.0048 0.0069 -0.0082 859 HOH A O 3491 O O . HOH N . ? 0.4303 0.4858 0.4381 -0.0002 0.0184 0.0218 860 HOH A O 3492 O O . HOH N . ? 0.4649 0.4719 0.4681 0.0190 0.0151 -0.0077 861 HOH A O 3493 O O . HOH N . ? 0.3625 0.3555 0.3730 0.0111 0.0049 0.0062 862 HOH A O 3494 O O . HOH N . ? 0.2992 0.3529 0.3331 -0.0113 0.0092 0.0175 863 HOH A O 3495 O O . HOH N . ? 0.2723 0.2840 0.2728 0.0175 0.0157 -0.0081 864 HOH A O 3496 O O . HOH N . ? 0.3811 0.4076 0.3965 -0.0082 0.0115 0.0223 865 HOH A O 3497 O O . HOH N . ? 0.3211 0.2943 0.3289 0.0124 0.0065 0.0033 866 HOH A O 3498 O O . HOH N . ? 0.2927 0.3247 0.2710 0.0058 0.0099 -0.0031 867 HOH A O 3499 O O . HOH N . ? 0.2301 0.2322 0.2437 0.0057 0.0011 0.0022 868 HOH A O 3500 O O . HOH N . ? 0.5346 0.4918 0.5369 -0.0004 0.0039 -0.0004 869 HOH A O 3501 O O . HOH N . ? 0.3424 0.3373 0.3340 0.0032 0.0063 -0.0120 870 HOH A O 3502 O O . HOH N . ? 0.4610 0.4294 0.4822 -0.0152 0.0035 0.0066 871 HOH A O 3503 O O . HOH N . ? 0.3052 0.2888 0.3208 -0.0005 0.0032 -0.0014 872 HOH A O 3504 O O . HOH N . ? 0.3197 0.3518 0.3360 -0.0088 0.0127 0.0241 873 HOH A O 3505 O O . HOH N . ? 0.4057 0.4405 0.3841 0.0069 0.0117 -0.0030 874 HOH A O 3506 O O . HOH N . ? 0.3634 0.3456 0.3808 0.0025 0.0034 0.0006 875 HOH A O 3507 O O . HOH N . ? 0.3457 0.3732 0.3477 -0.0025 0.0105 0.0298 876 HOH A O 3508 O O . HOH N . ? 0.3387 0.3384 0.3453 -0.0043 0.0027 -0.0078 877 HOH A O 3509 O O . HOH N . ? 0.4208 0.4179 0.4285 -0.0047 0.0024 -0.0080 878 HOH A O 3510 O O . HOH N . ? 0.4990 0.5748 0.4766 -0.0032 -0.0119 -0.0001 879 HOH A O 3511 O O . HOH N . ? 0.4111 0.4532 0.3861 0.0011 -0.0010 -0.0011 880 HOH A O 3512 O O . HOH N . ? 0.4298 0.4431 0.4201 0.0052 0.0088 -0.0043 881 HOH A O 3513 O O . HOH N . ? 0.4014 0.4374 0.3770 0.0017 0.0015 -0.0028 882 HOH A O 3514 O O . HOH N . ? 0.3941 0.3857 0.4135 -0.0191 0.0003 -0.0018 883 HOH A O 3515 O O . HOH N . ? 0.4444 0.4906 0.4516 0.0192 0.0219 -0.0007 884 HOH A O 3516 O O . HOH N . ? 0.3867 0.4045 0.4015 -0.0108 0.0109 0.0313 885 HOH A O 3517 O O . HOH N . ? 0.3769 0.4097 0.4102 -0.0247 -0.0020 0.0028 886 HOH A O 3518 O O . HOH N . ? 0.3667 0.4094 0.3882 -0.0093 0.0136 0.0228 887 HOH A O 3519 O O . HOH N . ? 0.3182 0.3120 0.3294 0.0017 0.0023 0.0042 888 HOH A O 3520 O O . HOH N . ? 0.3448 0.3935 0.3330 0.0075 0.0174 0.0081 889 HOH A O 3521 O O . HOH N . ? 0.4178 0.4655 0.4037 -0.0130 -0.0110 -0.0154 890 HOH A O 3522 O O . HOH N . ? 0.5187 0.5339 0.5336 -0.0113 0.0108 0.0348 891 HOH A O 3523 O O . HOH N . ? 0.3583 0.3691 0.3867 -0.0238 -0.0019 -0.0016 892 HOH A O 3524 O O . HOH N . ? 0.3168 0.3503 0.3344 0.0047 -0.0036 0.0161 893 HOH A O 3525 O O . HOH N . ? 0.3988 0.4135 0.3776 0.0029 0.0061 -0.0150 894 HOH A O 3526 O O . HOH N . ? 0.3885 0.4391 0.3828 0.0046 0.0174 0.0150 895 HOH A O 3527 O O . HOH N . ? 0.2767 0.3297 0.3044 0.0166 0.0145 0.0098 896 HOH A O 3528 O O . HOH N . ? 0.4603 0.4601 0.4665 -0.0060 0.0020 -0.0085 897 HOH A O 3529 O O . HOH N . ? 0.3665 0.3438 0.3878 -0.0221 0.0022 0.0028 898 HOH A O 3530 O O . HOH N . ? 0.3280 0.3737 0.3572 0.0043 0.0017 0.0132 899 HOH A O 3531 O O . HOH N . ? 0.3692 0.4356 0.3485 -0.0053 -0.0114 -0.0050 900 HOH A O 3532 O O . HOH N . ? 0.4702 0.5065 0.4431 0.0019 0.0028 -0.0065 901 HOH A O 3533 O O . HOH N . ? 0.3671 0.3959 0.3422 -0.0024 -0.0008 -0.0140 902 HOH A O 3534 O O . HOH N . ? 0.4241 0.4082 0.4468 -0.0185 0.0057 0.0163 903 HOH A O 3535 O O . HOH N . ? 0.3957 0.4307 0.3835 0.0039 0.0049 0.0230 904 HOH A O 3536 O O . HOH N . ? 0.4859 0.4975 0.5027 0.0214 0.0115 0.0031 905 HOH A O 3537 O O . HOH N . ? 0.3840 0.3614 0.4041 -0.0161 0.0027 0.0036 906 HOH A O 3538 O O . HOH N . ? 0.3635 0.3565 0.3644 -0.0103 0.0026 0.0084 907 HOH A O 3539 O O . HOH N . ? 0.3777 0.3792 0.3830 -0.0049 0.0025 -0.0066 908 HOH A O 3540 O O . HOH N . ? 0.3451 0.3930 0.3762 -0.0145 0.0114 0.0212 909 HOH A O 3541 O O . HOH N . ? 0.4369 0.4957 0.4727 -0.0083 0.0077 0.0162 910 HOH A O 3542 O O . HOH N . ? 0.4512 0.4114 0.4541 -0.0046 0.0032 0.0082 911 HOH A O 3543 O O . HOH N . ? 0.3649 0.4017 0.3985 -0.0202 0.0018 0.0087 912 HOH A O 3544 O O . HOH N . ? 0.3152 0.3590 0.3155 0.0151 0.0207 -0.0001 913 HOH A O 3545 O O . HOH N . ? 0.4032 0.3697 0.4248 -0.0046 0.0043 0.0147 914 HOH A O 3546 O O . HOH N . ? 0.3245 0.3575 0.3190 0.0010 0.0088 0.0289 915 HOH A O 3547 O O . HOH N . ? 0.3632 0.3837 0.3399 0.0018 0.0047 -0.0136 916 HOH A O 3548 O O . HOH N . ? 0.4531 0.4440 0.4551 -0.0097 0.0025 0.0021 917 HOH A O 3549 O O . HOH N . ? 0.3601 0.4252 0.3456 0.0049 -0.0091 0.0153 918 HOH A O 3550 O O . HOH N . ? 0.3010 0.3285 0.2931 0.0040 0.0039 0.0231 919 HOH A O 3551 O O . HOH N . ? 0.5020 0.4603 0.5026 0.0070 0.0062 -0.0091 920 HOH A O 3552 O O . HOH N . ? 0.3894 0.3945 0.4162 -0.0225 0.0057 0.0121 921 HOH A O 3553 O O . HOH N . ? 0.2943 0.3058 0.3024 0.0206 0.0151 -0.0047 922 HOH A O 3554 O O . HOH N . ? 0.5645 0.6543 0.5451 -0.0027 -0.0148 0.0040 923 HOH A O 3555 O O . HOH N . ? 0.3209 0.3345 0.3445 -0.0152 0.0063 0.0133 924 HOH A O 3556 O O . HOH N . ? 0.3185 0.2999 0.3273 0.0123 0.0059 0.0046 925 HOH A O 3557 O O . HOH N . ? 0.4167 0.4058 0.4360 0.0087 0.0030 0.0016 926 HOH A O 3558 O O . HOH N . ? 0.4182 0.4785 0.3982 -0.0102 -0.0119 -0.0128 927 HOH A O 3559 O O . HOH N . ? 0.4217 0.4947 0.4069 -0.0046 -0.0133 -0.0010 928 HOH A O 3560 O O . HOH N . ? 0.4062 0.3980 0.4273 -0.0152 0.0075 0.0250 929 HOH A O 3561 O O . HOH N . ? 0.3547 0.4074 0.3346 0.0035 -0.0044 0.0110 930 HOH A O 3562 O O . HOH N . ? 0.3463 0.3325 0.3601 -0.0025 0.0030 -0.0049 931 HOH A O 3563 O O . HOH N . ? 0.3566 0.3359 0.3722 -0.0093 0.0020 -0.0073 932 HOH A O 3564 O O . HOH N . ? 0.3516 0.4022 0.3780 -0.0170 -0.0068 0.0041 933 HOH A O 3565 O O . HOH N . ? 0.2942 0.3037 0.3230 -0.0239 0.0049 0.0098 934 HOH A O 3566 O O . HOH N . ? 0.4094 0.4940 0.3951 -0.0105 -0.0165 -0.0069 935 HOH A O 3567 O O . HOH N . ? 0.4461 0.4836 0.4302 0.0043 0.0008 0.0151 936 HOH A O 3568 O O . HOH N . ? 0.3946 0.4308 0.3720 0.0049 0.0085 0.0010 937 HOH A O 3569 O O . HOH N . ? 0.4056 0.4075 0.3971 0.0046 0.0074 -0.0092 938 HOH A O 3570 O O . HOH N . ? 0.4360 0.4673 0.4582 -0.0253 -0.0077 -0.0068 939 HOH A O 3571 O O . HOH N . ? 0.3997 0.3984 0.4216 -0.0170 0.0083 0.0249 940 HOH A O 3572 O O . HOH N . ? 0.4698 0.5286 0.4467 -0.0024 -0.0082 -0.0024 941 HOH A O 3573 O O . HOH N . ? 0.4945 0.5271 0.5158 -0.0117 0.0119 0.0229 942 HOH A O 3574 O O . HOH N . ? 0.4346 0.4857 0.4397 0.0104 0.0200 0.0078 943 HOH A O 3575 O O . HOH N . ? 0.3399 0.3577 0.3395 0.0043 0.0036 0.0286 944 HOH A O 3576 O O . HOH N . ? 0.4938 0.4938 0.5150 -0.0213 -0.0018 -0.0032 945 HOH A O 3577 O O . HOH N . ? 0.4449 0.4763 0.4360 0.0044 0.0037 0.0263 946 HOH A O 3578 O O . HOH N . ? 0.4426 0.4660 0.4538 -0.0081 0.0114 0.0310 947 HOH A O 3579 O O . HOH N . ? 0.4005 0.3902 0.4171 0.0074 0.0021 0.0160 948 HOH A O 3580 O O . HOH N . ? 0.3499 0.3499 0.3598 0.0024 0.0014 0.0011 949 HOH A O 3581 O O . HOH N . ? 0.5043 0.5600 0.4824 -0.0065 -0.0096 -0.0096 950 HOH A O 3582 O O . HOH N . ? 0.3763 0.3381 0.3779 0.0003 0.0045 -0.0031 951 HOH A O 3583 O O . HOH N . ? 0.4472 0.4410 0.4635 0.0099 0.0013 0.0199 952 HOH A O 3584 O O . HOH N . ? 0.4347 0.4061 0.4365 -0.0065 0.0033 0.0001 953 HOH A O 3585 O O . HOH N . ? 0.3026 0.3378 0.3257 0.0030 -0.0001 0.0116 954 HOH A O 3586 O O . HOH N . ? 0.4081 0.4136 0.4130 0.0166 0.0131 -0.0050 955 HOH A O 3587 O O . HOH N . ? 0.4083 0.4200 0.4128 0.0068 0.0012 0.0261 956 HOH A O 3588 O O . HOH N . ? 0.5384 0.5595 0.5569 0.0232 0.0135 0.0024 957 HOH A O 3589 O O . HOH N . ? 0.4285 0.4222 0.4385 -0.0025 0.0028 -0.0067 958 HOH A O 3590 O O . HOH N . ? 0.4217 0.4237 0.4263 -0.0062 0.0017 -0.0058 959 HOH A O 3591 O O . HOH N . ? 0.3390 0.3280 0.3567 -0.0074 0.0069 0.0328 960 HOH A O 3592 O O . HOH N . ? 0.4414 0.4507 0.4723 -0.0256 0.0013 0.0009 961 HOH A O 3593 O O . HOH N . ? 0.4997 0.4637 0.5218 -0.0004 0.0040 0.0118 962 HOH A O 3594 O O . HOH N . ? 0.5535 0.5874 0.5394 0.0042 0.0025 0.0166 963 HOH A O 3595 O O . HOH N . ? 0.3822 0.4326 0.4197 -0.0181 0.0047 0.0141 964 HOH A O 3596 O O . HOH N . ? 0.4715 0.5068 0.4559 0.0115 0.0171 -0.0054 965 HOH A O 3597 O O . HOH N . ? 0.5184 0.5548 0.5064 0.0134 0.0188 -0.0055 966 HOH A O 3598 O O . HOH N . ? 0.5645 0.5836 0.5751 -0.0077 0.0106 0.0340 967 HOH A O 3599 O O . HOH N . ? 0.4174 0.4112 0.4378 -0.0147 0.0083 0.0293 968 HOH A O 3600 O O . HOH N . ? 0.3853 0.4226 0.3658 0.0036 0.0027 0.0095 969 HOH A O 3601 O O . HOH N . ? 0.3546 0.3454 0.3670 0.0003 0.0027 -0.0004 970 HOH A O 3602 O O . HOH N . ? 0.4328 0.4526 0.4169 0.0075 0.0112 -0.0081 971 HOH A O 3603 O O . HOH N . ? 0.4076 0.3946 0.4301 -0.0267 0.0015 0.0019 972 HOH A O 3604 O O . HOH N . ? 0.3825 0.3794 0.3853 -0.0120 0.0027 0.0008 973 HOH A O 3605 O O . HOH N . ? 0.3869 0.3786 0.4108 -0.0203 0.0070 0.0195 974 HOH A O 3606 O O . HOH N . ? 0.4016 0.3794 0.4235 -0.0148 0.0058 0.0194 975 HOH A O 3607 O O . HOH N . ? 0.4149 0.4133 0.4202 0.0177 0.0125 -0.0059 976 HOH A O 3608 O O . HOH N . ? 0.4154 0.4357 0.4477 -0.0259 -0.0015 0.0004 977 HOH A O 3609 O O . HOH N . ? 0.4201 0.4770 0.4221 0.0044 0.0196 0.0165 978 HOH A O 3610 O O . HOH N . ? 0.4630 0.4811 0.4827 0.0213 0.0110 0.0053 979 HOH A O 3611 O O . HOH N . ? 0.4430 0.4470 0.4417 0.0099 0.0107 -0.0060 980 HOH A O 3612 O O . HOH N . ? 0.4629 0.4692 0.4819 -0.0140 0.0094 0.0291 981 HOH A O 3613 O O . HOH N . ? 0.5157 0.5124 0.5260 0.0085 0.0017 0.0137 982 HOH A O 3614 O O . HOH N . ? 0.4922 0.4629 0.5140 -0.0126 0.0048 0.0153 983 HOH A O 3615 O O . HOH N . ? 0.3943 0.4377 0.3894 0.0027 0.0151 0.0172 984 HOH A O 3616 O O . HOH N . ? 0.4071 0.4723 0.4265 0.0031 0.0194 0.0178 985 HOH A O 3617 O O . HOH N . ? 0.3691 0.3679 0.3775 0.0052 0.0009 0.0128 986 HOH A O 3618 O O . HOH N . ? 0.5487 0.5888 0.5257 -0.0035 -0.0048 -0.0094 987 HOH A O 3619 O O . HOH N . ? 0.5188 0.5876 0.5544 0.0095 0.0121 0.0153 988 HOH A O 3620 O O . HOH N . ? 0.5156 0.5325 0.5454 -0.0226 0.0056 0.0121 989 HOH A O 3621 O O . HOH N . ? 0.4342 0.4440 0.4592 -0.0217 -0.0020 -0.0021 990 HOH A O 3622 O O . HOH N . ? 0.4751 0.5254 0.4667 0.0094 0.0193 0.0061 991 HOH A O 3623 O O . HOH N . ? 0.4997 0.5524 0.5106 -0.0040 0.0174 0.0258 992 HOH A O 3624 O O . HOH N . ? 0.4009 0.4797 0.3861 -0.0143 -0.0164 -0.0123 993 HOH A O 3625 O O . HOH N . ? 0.5307 0.5775 0.5499 -0.0079 0.0151 0.0243 994 HOH A O 3626 O O . HOH N . ? 0.5375 0.6045 0.5737 -0.0041 0.0108 0.0180 995 HOH A O 3627 O O . HOH N . ? 0.5005 0.5757 0.4825 -0.0071 -0.0138 -0.0050 996 HOH A O 3628 O O . HOH N . ? 0.3390 0.3354 0.3390 0.0000 0.0000 0.0000 997 HOH A O 3629 O O . HOH N . ? 0.3920 0.4214 0.4075 0.0213 0.0164 0.0005 998 HOH A O 3630 O O . HOH N . ? 0.4382 0.4896 0.4896 0.0166 0.0166 0.0175 999 HOH A O 3631 O O . HOH N . ? 0.3920 0.4193 0.4106 0.0078 -0.0014 0.0156 1000 HOH A O 3632 O O . HOH N . ? 0.4901 0.4809 0.4826 -0.0080 0.0007 -0.0158 1001 HOH A O 3633 O O . HOH N . ? 0.5246 0.5490 0.5490 0.0209 0.0078 0.0107 1002 HOH A O 3634 O O . HOH N . ? 0.4575 0.4497 0.4552 0.0091 0.0091 -0.0091 1003 HOH A O 3635 O O . HOH N . ? 0.4393 0.4718 0.4139 0.0036 0.0060 -0.0062 1004 HOH A O 3636 O O . HOH N . ? 0.4617 0.5212 0.4864 -0.0061 0.0163 0.0227 1005 HOH A O 3637 O O . HOH N . ? 0.4323 0.4716 0.4428 -0.0065 0.0145 0.0280 1006 HOH A O 3638 O O . HOH N . ? 0.4156 0.4635 0.4528 -0.0194 0.0063 0.0159 1007 HOH A O 3639 O O . HOH N . ? 0.4484 0.4421 0.4587 -0.0083 0.0015 -0.0099 1008 HOH A O 3640 O O . HOH N . ? 0.5499 0.6061 0.5808 -0.0121 0.0134 0.0228 1009 HOH A O 3641 O O . HOH N . ? 0.4763 0.5165 0.4580 0.0041 0.0051 0.0157 1010 HOH A O 3642 O O . HOH N . ? 0.5822 0.6211 0.5852 0.0198 0.0216 -0.0044 1011 HOH A O 3643 O O . HOH N . ? 0.5298 0.5775 0.5425 -0.0063 0.0162 0.0273 1012 HOH A O 3644 O O . HOH N . ? 0.4829 0.5306 0.4685 0.0092 0.0178 0.0037 1013 HOH A O 3645 O O . HOH N . ? 0.4119 0.3867 0.4134 -0.0043 0.0033 -0.0013 1014 HOH A O 3646 O O . HOH N . ? 0.5532 0.5154 0.5591 0.0048 0.0039 0.0108 1015 HOH A O 3647 O O . HOH N . ? 0.5909 0.5927 0.5795 -0.0073 -0.0006 -0.0167 1016 HOH A O 3648 O O . HOH N . ? 0.5427 0.4992 0.5356 -0.0025 0.0032 -0.0204 1017 HOH A O 3649 O O . HOH N . ? 0.3642 0.3552 0.3755 -0.0025 0.0027 -0.0045 1018 HOH A O 3650 O O . HOH N . ? 0.5255 0.5591 0.5069 0.0092 0.0146 -0.0050 1019 HOH A O 3651 O O . HOH N . ? 0.3795 0.4325 0.3682 -0.0177 -0.0131 -0.0180 1020 HOH A O 3652 O O . HOH N . ? 0.4924 0.4794 0.4939 -0.0086 0.0025 0.0097 1021 HOH A O 3653 O O . HOH N . ? 0.4527 0.4763 0.4655 0.0207 0.0159 -0.0011 1022 HOH A O 3654 O O . HOH N . ? 0.5002 0.4766 0.4927 -0.0029 0.0041 -0.0172 1023 HOH A O 3655 O O . HOH N . ? 0.4798 0.4490 0.4836 -0.0163 0.0010 -0.0027 1024 HOH A O 3656 O O . HOH N . ? 0.3912 0.4288 0.3758 0.0042 0.0039 0.0192 1025 HOH A O 3657 O O . HOH N . ? 0.3535 0.3539 0.3636 0.0006 0.0020 -0.0032 1026 HOH A O 3658 O O . HOH N . ? 0.4846 0.5247 0.4626 0.0029 0.0007 0.0057 1027 HOH A O 3659 O O . HOH N . ? 0.3896 0.4326 0.4182 0.0039 0.0046 0.0119 1028 HOH A O 3660 O O . HOH N . ? 0.3817 0.3515 0.3815 -0.0066 0.0031 -0.0062 1029 HOH A O 3661 O O . HOH N . ? 0.4026 0.4168 0.4270 -0.0228 -0.0035 -0.0040 1030 HOH A O 3662 O O . HOH N . ? 0.3136 0.3903 0.3497 -0.0016 0.0149 0.0202 1031 HOH A O 3663 O O . HOH N . ? 0.5769 0.5306 0.5801 0.0031 0.0044 0.0001 1032 HOH A O 3664 O O . HOH N . ? 0.5130 0.5326 0.5352 0.0174 0.0035 0.0148 1033 HOH A O 3665 O O . HOH N . ? 0.4890 0.4570 0.4865 -0.0081 0.0021 -0.0119 1034 HOH A O 3666 O O . HOH N . ? 0.4301 0.4274 0.4402 -0.0005 0.0028 -0.0057 1035 HOH A O 3667 O O . HOH N . ? 0.5650 0.5939 0.5886 -0.0144 0.0109 0.0225 1036 HOH A O 3668 O O . HOH N . ? 0.4541 0.4601 0.4656 0.0102 -0.0003 0.0210 1037 HOH A O 3669 O O . HOH N . ? 0.5107 0.5843 0.5486 -0.0062 0.0128 0.0206 1038 HOH A O 3670 O O . HOH N . ? 0.3668 0.3525 0.3770 0.0152 0.0071 0.0036 1039 HOH A O 3671 O O . HOH N . ? 0.3961 0.4055 0.3931 0.0051 0.0088 -0.0016 1040 HOH A O 3672 O O . HOH N . ? 0.3059 0.2821 0.3031 0.0082 0.0084 -0.0127 1041 HOH A O 3673 O O . HOH N . ? 0.3343 0.3041 0.3396 0.0009 0.0031 0.0151 1042 HOH A O 3674 O O . HOH N . ? 0.2885 0.3262 0.3185 -0.0235 -0.0048 0.0007 1043 HOH A O 3675 O O . HOH N . ? 0.4727 0.4917 0.4761 -0.0010 0.0077 0.0338 1044 HOH A O 3676 O O . HOH N . ? 0.5127 0.5262 0.5084 0.0061 0.0101 -0.0014 1045 HOH A O 3677 O O . HOH N . ? 0.4500 0.4461 0.4653 -0.0064 0.0073 0.0343 1046 HOH A O 3678 O O . HOH N . ? 0.4594 0.4600 0.4602 0.0113 0.0107 -0.0060 1047 HOH A O 3679 O O . HOH N . ? 0.3780 0.3785 0.3885 0.0019 0.0016 -0.0011 1048 HOH A O 3680 O O . HOH N . ? 0.3832 0.3879 0.3832 0.0000 0.0000 0.0000 1049 HOH A O 3681 O O . HOH N . ? 0.3565 0.4019 0.3919 -0.0176 0.0038 0.0125 1050 HOH A O 3682 O O . HOH N . ? 0.5033 0.5253 0.5068 -0.0022 0.0088 0.0347 1051 HOH A O 3683 O O . HOH N . ? 0.4437 0.4311 0.4457 -0.0079 0.0024 0.0027 1052 HOH A O 3684 O O . HOH N . ? 0.4375 0.4296 0.4564 -0.0168 0.0011 -0.0008 1053 HOH A O 3685 O O . HOH N . ? 0.4266 0.4284 0.4138 0.0008 0.0045 -0.0133 1054 HOH A O 3686 O O . HOH N . ? 0.4459 0.4448 0.4697 -0.0250 -0.0032 -0.0039 1055 HOH A O 3687 O O . HOH N . ? 0.4216 0.3958 0.4436 -0.0160 0.0048 0.0136 1056 HOH A O 3688 O O . HOH N . ? 0.3938 0.3925 0.4171 -0.0188 0.0078 0.0216 1057 HOH A O 3689 O O . HOH N . ? 0.3728 0.3409 0.3724 -0.0107 0.0016 -0.0086 1058 HOH A O 3690 O O . HOH N . ? 0.4120 0.4117 0.4229 0.0043 0.0036 0.0325 1059 HOH A O 3691 O O . HOH N . ? 0.3572 0.4148 0.3723 -0.0020 0.0181 0.0221 1060 HOH A O 3692 O O . HOH N . ? 0.3907 0.4041 0.4004 -0.0056 0.0090 0.0362 1061 HOH A O 3693 O O . HOH N . ? 0.3690 0.4075 0.3959 0.0078 0.0049 0.0117 1062 HOH A O 3694 O O . HOH N . ? 0.4471 0.4249 0.4674 0.0048 0.0035 0.0067 1063 HOH A O 3695 O O . HOH N . ? 0.4861 0.4554 0.4921 0.0144 0.0080 -0.0027 1064 HOH A O 3696 O O . HOH N . ? 0.4922 0.4793 0.5175 -0.0269 0.0046 0.0088 1065 HOH A O 3697 O O . HOH N . ? 0.5491 0.5526 0.5786 -0.0265 0.0016 -0.0007 1066 HOH A O 3698 O O . HOH N . ? 0.4295 0.4632 0.4369 0.0221 0.0207 -0.0050 1067 HOH A O 3699 O O . HOH N . ? 0.4214 0.4027 0.4439 -0.0166 0.0067 0.0227 1068 HOH A O 3700 O O . HOH N . ? 0.5415 0.5737 0.5758 -0.0227 0.0025 0.0088 1069 HOH A O 3701 O O . HOH N . ? 0.4888 0.4726 0.4908 -0.0087 0.0026 0.0058 1070 HOH A O 3702 O O . HOH N . ? 0.4493 0.4748 0.4452 0.0044 0.0038 0.0301 1071 HOH A O 3703 O O . HOH N . ? 0.5868 0.6129 0.6074 -0.0126 0.0110 0.0231 1072 HOH A O 3704 O O . HOH N . ? 0.4968 0.5886 0.4802 0.0001 -0.0149 0.0095 1073 HOH A O 3705 O O . HOH N . ? 0.4703 0.5346 0.5072 -0.0027 0.0072 0.0159 1074 HOH A O 3706 O O . HOH N . ? 0.4524 0.4403 0.4470 -0.0071 0.0014 -0.0134 1075 HOH A O 3707 O O . HOH N . ? 0.4337 0.4484 0.4596 -0.0183 0.0066 0.0145 1076 HOH A O 3708 O O . HOH N . ? 0.5263 0.5494 0.5500 -0.0151 0.0096 0.0205 1077 HOH A O 3709 O O . HOH N . ? 0.3616 0.3762 0.3665 0.0091 0.0000 0.0291 1078 HOH A O 3710 O O . HOH N . ? 0.3918 0.3960 0.4202 -0.0254 -0.0026 -0.0018 1079 HOH A O 3711 O O . HOH N . ? 0.4640 0.5045 0.4679 -0.0034 0.0143 0.0277 1080 HOH A O 3712 O O . HOH N . ? 0.4780 0.5355 0.4873 0.0021 0.0191 0.0187 1081 HOH A O 3713 O O . HOH N . ? 0.4880 0.4815 0.4798 -0.0045 0.0018 -0.0140 1082 HOH A O 3714 O O . HOH N . ? 0.4139 0.4170 0.4412 -0.0238 0.0066 0.0148 1083 HOH A O 3715 O O . HOH N . ? 0.4936 0.4937 0.4831 -0.0041 0.0012 -0.0138 1084 HOH A O 3716 O O . HOH N . ? 0.4832 0.5003 0.4639 0.0044 0.0076 -0.0112 1085 HOH A O 3717 O O . HOH N . ? 0.5473 0.5843 0.5286 0.0051 0.0102 0.0058 1086 HOH A O 3718 O O . HOH N . ? 0.4127 0.4685 0.3869 0.0014 -0.0039 0.0037 1087 HOH A O 3719 O O . HOH N . ? 0.4925 0.4978 0.4804 0.0050 0.0079 -0.0111 1088 HOH A O 3720 O O . HOH N . ? 0.4758 0.4663 0.4696 -0.0031 0.0027 -0.0120 1089 HOH A O 3721 O O . HOH N . ? 0.5123 0.5012 0.5365 -0.0208 0.0076 0.0232 1090 HOH A O 3722 O O . HOH N . ? 0.4464 0.4704 0.4505 0.0212 0.0191 -0.0075 1091 HOH A O 3723 O O . HOH N . ? 0.5849 0.5913 0.6021 0.0200 0.0088 0.0060 1092 HOH A O 3724 O O . HOH N . ? 0.3987 0.4177 0.4169 -0.0123 0.0106 0.0257 1093 HOH A O 3725 O O . HOH N . ? 0.5626 0.6230 0.5444 0.0045 -0.0066 0.0146 1094 HOH A O 3726 O O . HOH N . ? 0.5072 0.4889 0.5146 0.0182 0.0102 -0.0037 1095 HOH A O 3727 O O . HOH N . ? 0.4626 0.5272 0.4967 -0.0092 0.0132 0.0214 1096 HOH A O 3728 O O . HOH N . ? 0.4521 0.4087 0.4543 0.0043 0.0051 -0.0037 1097 HOH A O 3729 O O . HOH N . ? 0.4319 0.4209 0.4556 -0.0303 0.0014 0.0015 1098 HOH A O 3730 O O . HOH N . ? 0.5809 0.6015 0.5818 0.0016 0.0061 0.0340 1099 HOH A O 3731 O O . HOH N . ? 0.5424 0.5970 0.5256 0.0052 -0.0052 0.0165 1100 HOH A O 3732 O O . HOH N . ? 0.5433 0.5236 0.5620 -0.0030 0.0050 0.0253 1101 HOH A O 3733 O O . HOH N . ? 0.5237 0.4985 0.5181 0.0052 0.0076 -0.0156 1102 HOH A O 3734 O O . HOH N . ? 0.4854 0.5296 0.4659 -0.0070 -0.0080 -0.0116 1103 HOH A O 3735 O O . HOH N . ? 0.4629 0.4676 0.4787 -0.0106 0.0094 0.0370 1104 HOH A O 3736 O O . HOH N . ? 0.4926 0.4898 0.4996 0.0040 0.0006 0.0149 1105 HOH A O 3737 O O . HOH N . ? 0.4884 0.5306 0.4715 0.0104 0.0173 -0.0018 1106 HOH A O 3738 O O . HOH N . ? 0.4135 0.4801 0.3997 -0.0196 -0.0157 -0.0193 1107 HOH A O 3739 O O . HOH N . ? 0.3917 0.4382 0.3928 0.0004 0.0161 0.0213 1108 HOH A O 3740 O O . HOH N . ? 0.5653 0.5428 0.5847 -0.0040 0.0049 0.0226 1109 HOH A O 3741 O O . HOH N . ? 0.4485 0.5058 0.4783 -0.0127 -0.0056 0.0085 1110 HOH A O 3742 O O . HOH N . ? 0.5256 0.5568 0.5006 0.0051 0.0084 -0.0074 1111 HOH A O 3743 O O . HOH N . ? 0.5146 0.5613 0.4913 0.0018 -0.0024 0.0038 1112 HOH A O 3744 O O . HOH N . ? 0.4282 0.4655 0.4182 0.0026 0.0112 0.0182 1113 HOH A O 3745 O O . HOH N . ? 0.4882 0.5145 0.5147 -0.0247 -0.0052 -0.0036 1114 HOH A O 3746 O O . HOH N . ? 0.4663 0.4351 0.4590 0.0001 0.0050 -0.0183 1115 HOH A O 3747 O O . HOH N . ? 0.5731 0.5826 0.5666 0.0149 0.0149 -0.0118 1116 HOH A O 3748 O O . HOH N . ? 0.5087 0.5229 0.5300 -0.0226 -0.0045 -0.0066 1117 HOH A O 3749 O O . HOH N . ? 0.5127 0.5145 0.5270 0.0171 0.0080 0.0049 1118 HOH A O 3750 O O . HOH N . ? 0.5324 0.5122 0.5507 -0.0209 -0.0007 -0.0070 1119 HOH A O 3751 O O . HOH N . ? 0.5463 0.5277 0.5418 0.0095 0.0094 -0.0143 1120 HOH A O 3752 O O . HOH N . ? 0.4683 0.4603 0.4692 -0.0122 0.0029 0.0106 1121 HOH A O 3753 O O . HOH N . ? 0.5020 0.5329 0.4742 0.0010 0.0029 -0.0124 1122 HOH A O 3754 O O . HOH N . ? 0.4979 0.5693 0.5342 0.0039 0.0122 0.0168 1123 HOH A O 3755 O O . HOH N . ? 0.4866 0.5300 0.4770 0.0043 0.0147 0.0138 1124 HOH A O 3756 O O . HOH N . ? 0.5011 0.5253 0.5357 -0.0266 0.0001 0.0033 1125 HOH A O 3757 O O . HOH N . ? 0.5183 0.5733 0.5153 0.0051 0.0190 0.0152 1126 HOH A O 3758 O O . HOH N . ? 0.5052 0.4962 0.5202 0.0053 0.0031 0.0284 1127 HOH A O 3759 O O . HOH N . ? 0.5545 0.5599 0.5673 0.0091 0.0016 0.0124 1128 HOH A O 3760 O O . HOH N . ? 0.4887 0.5448 0.4652 0.0032 -0.0035 0.0100 1129 HOH A O 3761 O O . HOH N . ? 0.5680 0.5777 0.5568 0.0060 0.0090 -0.0084 1130 HOH A O 3762 O O . HOH N . ? 0.5015 0.5050 0.4863 0.0019 0.0055 -0.0150 1131 HOH A O 3763 O O . HOH N . ? 0.6282 0.5794 0.6211 -0.0040 0.0025 -0.0216 1132 HOH A O 3764 O O . HOH N . ? 0.5754 0.6185 0.5583 0.0042 0.0104 0.0144 1133 HOH A O 3765 O O . HOH N . ? 0.5168 0.5805 0.5217 0.0078 0.0219 0.0136 1134 HOH A O 3766 O O . HOH N . ? 0.5031 0.4838 0.5121 0.0166 0.0084 0.0005 1135 HOH A O 3767 O O . HOH N . ? 0.5185 0.5844 0.5570 -0.0072 0.0069 0.0166 1136 HOH A O 3768 O O . HOH N . ? 0.4982 0.4638 0.4992 -0.0105 0.0019 -0.0051 1137 HOH A O 3769 O O . HOH N . ? 0.4720 0.5257 0.5085 -0.0156 0.0082 0.0178 1138 HOH A O 3770 O O . HOH N . ? 0.5316 0.5354 0.5414 0.0079 0.0010 0.0237 1139 HOH A O 3771 O O . HOH N . ? 0.5266 0.5535 0.5167 0.0164 0.0192 -0.0110 1140 HOH A O 3772 O O . HOH N . ? 0.5310 0.5453 0.5338 0.0034 0.0043 0.0318 1141 HOH A O 3773 O O . HOH N . ? 0.4686 0.4432 0.4857 -0.0077 0.0026 -0.0051 1142 HOH A O 3774 O O . HOH N . ? 0.5677 0.5702 0.5660 0.0017 0.0052 -0.0016 1143 HOH A O 3775 O O . HOH N . ? 0.5785 0.6154 0.5648 0.0033 0.0080 0.0186 1144 HOH A O 3776 O O . HOH N . ? 0.5675 0.5374 0.5889 0.0017 0.0040 0.0183 1145 HOH A O 3777 O O . HOH N . ? 0.5485 0.5422 0.5600 0.0118 0.0042 0.0088 1146 HOH A O 3778 O O . HOH N . ? 0.5267 0.5392 0.5485 -0.0147 0.0082 0.0188 1147 HOH A O 3779 O O . HOH N . ? 0.5166 0.5551 0.4988 0.0040 0.0079 0.0129 1148 HOH A O 3780 O O . HOH N . ? 0.5133 0.4916 0.5326 -0.0163 0.0019 0.0002 1149 HOH A O 3781 O O . HOH N . ? 0.5014 0.5803 0.4798 0.0032 -0.0099 0.0137 1150 HOH A O 3782 O O . HOH N . ? 0.5658 0.5844 0.5752 0.0210 0.0163 -0.0039 1151 HOH A O 3783 O O . HOH N . ? 0.5592 0.5276 0.5813 -0.0170 0.0041 0.0103 1152 HOH A O 3784 O O . HOH N . ? 0.4798 0.4932 0.5034 -0.0162 0.0076 0.0170 1153 HOH A O 3785 O O . HOH N . ? 0.5177 0.5832 0.4921 -0.0029 -0.0090 -0.0030 1154 HOH A O 3786 O O . HOH N . ? 0.6270 0.6088 0.6320 0.0180 0.0110 -0.0072 1155 HOH A O 3787 O O . HOH N . ? 0.4948 0.5362 0.4922 -0.0002 0.0137 0.0244 1156 HOH A O 3788 O O . HOH N . ? 0.6596 0.7012 0.6789 -0.0096 0.0141 0.0250 1157 HOH A O 3789 O O . HOH N . ? 0.5374 0.5081 0.5459 0.0116 0.0056 0.0070 1158 HOH A O 3790 O O . HOH N . ? 0.5498 0.6023 0.5335 -0.0138 -0.0119 -0.0167 1159 HOH A O 3791 O O . HOH N . ? 0.5545 0.5677 0.5409 0.0084 0.0113 -0.0106 1160 HOH A O 3792 O O . HOH N . ? 0.6228 0.6660 0.6288 -0.0040 0.0152 0.0274 1161 HOH A O 3793 O O . HOH N . ? 0.4538 0.5014 0.4505 0.0023 0.0162 0.0188 1162 HOH A O 3794 O O . HOH N . ? 0.5374 0.5091 0.5587 0.0033 0.0037 0.0137 1163 HOH A O 3795 O O . HOH N . ? 0.5718 0.6384 0.5543 -0.0177 -0.0152 -0.0191 1164 HOH A O 3796 O O . HOH N . ? 0.5441 0.5633 0.5628 -0.0137 0.0111 0.0287 1165 HOH A O 3797 O O . HOH N . ? 0.4768 0.5222 0.5131 -0.0197 0.0021 0.0107 1166 HOH A O 3798 O O . HOH N . ? 0.5987 0.6640 0.6149 0.0026 0.0200 0.0189 1167 HOH A O 3799 O O . HOH N . ? 0.5168 0.5106 0.5180 0.0147 0.0116 -0.0085 1168 HOH A O 3800 O O . HOH N . ? 0.5567 0.5801 0.5726 0.0226 0.0153 0.0001 1169 HOH A O 3801 O O . HOH N . ? 0.4928 0.5562 0.5288 -0.0092 0.0108 0.0192 1170 HOH A O 3802 O O . HOH N . ? 0.6112 0.5978 0.6349 -0.0264 0.0031 0.0051 1171 HOH A O 3803 O O . HOH N . ? 0.4894 0.4692 0.4917 -0.0075 0.0027 0.0141 1172 HOH A O 3804 O O . HOH N . ? 0.5891 0.5685 0.6076 -0.0191 0.0003 -0.0047 1173 HOH A O 3805 O O . HOH N . ? 0.6199 0.6078 0.6259 0.0197 0.0120 -0.0069 1174 HOH A O 3806 O O . HOH N . ? 0.5802 0.5990 0.6011 -0.0144 0.0102 0.0241 1175 HOH A O 3807 O O . HOH N . ? 0.5258 0.4947 0.5472 -0.0016 0.0043 0.0183 1176 HOH A O 3808 O O . HOH N . ? 0.4982 0.5738 0.4718 -0.0003 -0.0092 0.0042 1177 HOH A O 3809 O O . HOH N . ? 0.5403 0.6054 0.5523 0.0045 0.0209 0.0174 1178 HOH A O 3810 O O . HOH N . ? 0.6142 0.6250 0.6355 -0.0157 0.0093 0.0246 1179 HOH A O 3811 O O . HOH N . ? 0.5003 0.5636 0.4764 0.0039 -0.0043 0.0137 1180 HOH A O 3812 O O . HOH N . ? 0.6122 0.6414 0.6308 -0.0119 0.0122 0.0262 1181 HOH A O 3813 O O . HOH N . ? 0.4956 0.5673 0.5333 -0.0007 0.0110 0.0178 1182 HOH A O 3814 O O . HOH N . ? 0.5597 0.6102 0.5623 -0.0004 0.0169 0.0232 1183 HOH A O 3815 O O . HOH N . ? 0.5482 0.5889 0.5394 0.0025 0.0128 0.0187 1184 HOH A O 3816 O O . HOH N . ? 0.4993 0.5298 0.5252 0.0165 0.0039 0.0145 1185 HOH A O 3817 O O . HOH N . ? 0.5208 0.4912 0.5165 -0.0089 0.0016 -0.0148 1186 HOH A O 3818 O O . HOH N . ? 0.5367 0.4927 0.5584 -0.0113 0.0035 0.0042 1187 HOH A O 3819 O O . HOH N . ? 0.5451 0.5490 0.5451 0.0000 0.0000 0.0000 1188 HOH A O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ARG 1 83 83 ARG ARG A . n A 1 2 ASN 2 84 84 ASN ASN A . n A 1 3 PHE 3 85 85 PHE PHE A . n A 1 4 ASN 4 86 86 ASN ASN A . n A 1 5 ASN 5 87 87 ASN ASN A . n A 1 6 LEU 6 88 88 LEU LEU A . n A 1 7 THR 7 89 89 THR THR A . n A 1 8 LYS 8 90 90 LYS LYS A . n A 1 9 GLY 9 91 91 GLY GLY A . n A 1 10 LEU 10 92 92 LEU LEU A . n A 1 11 CYS 11 93 93 CYS CYS A . n A 1 12 THR 12 94 94 THR THR A . n A 1 13 ILE 13 95 95 ILE ILE A . n A 1 14 ASN 14 96 96 ASN ASN A . n A 1 15 SER 15 97 97 SER SER A . n A 1 16 TRP 16 98 98 TRP TRP A . n A 1 17 HIS 17 99 99 HIS HIS A . n A 1 18 ILE 18 100 100 ILE ILE A . n A 1 19 TYR 19 101 101 TYR TYR A . n A 1 20 GLY 20 102 102 GLY GLY A . n A 1 21 LYS 21 103 103 LYS LYS A . n A 1 22 ASP 22 104 104 ASP ASP A . n A 1 23 ASN 23 105 105 ASN ASN A . n A 1 24 ALA 24 106 106 ALA ALA A . n A 1 25 VAL 25 107 107 VAL VAL A . n A 1 26 ARG 26 108 108 ARG ARG A . n A 1 27 ILE 27 109 109 ILE ILE A . n A 1 28 GLY 28 110 110 GLY GLY A . n A 1 29 GLU 29 111 111 GLU GLU A . n A 1 30 SER 30 112 112 SER SER A . n A 1 31 SER 31 113 113 SER SER A . n A 1 32 ASP 32 114 114 ASP ASP A . n A 1 33 VAL 33 115 115 VAL VAL A . n A 1 34 LEU 34 116 116 LEU LEU A . n A 1 35 VAL 35 117 117 VAL VAL A . n A 1 36 THR 36 118 118 THR THR A . n A 1 37 ARG 37 119 119 ARG ARG A . n A 1 38 GLU 38 120 120 GLU GLU A . n A 1 39 PRO 39 121 121 PRO PRO A . n A 1 40 TYR 40 122 122 TYR TYR A . n A 1 41 VAL 41 123 123 VAL VAL A . n A 1 42 SER 42 124 124 SER SER A . n A 1 43 CYS 43 125 125 CYS CYS A . n A 1 44 ASP 44 126 126 ASP ASP A . n A 1 45 PRO 45 127 127 PRO PRO A . n A 1 46 ASP 46 128 128 ASP ASP A . n A 1 47 GLU 47 129 129 GLU GLU A . n A 1 48 CYS 48 130 130 CYS CYS A . n A 1 49 ARG 49 131 131 ARG ARG A . n A 1 50 PHE 50 132 132 PHE PHE A . n A 1 51 TYR 51 133 133 TYR TYR A . n A 1 52 ALA 52 134 134 ALA ALA A . n A 1 53 LEU 53 135 135 LEU LEU A . n A 1 54 SER 54 136 136 SER SER A . n A 1 55 GLN 55 137 137 GLN GLN A . n A 1 56 GLY 56 138 138 GLY GLY A . n A 1 57 THR 57 139 139 THR THR A . n A 1 58 THR 58 140 140 THR THR A . n A 1 59 ILE 59 141 141 ILE ILE A . n A 1 60 ARG 60 142 142 ARG ARG A . n A 1 61 GLY 61 143 143 GLY GLY A . n A 1 62 LYS 62 144 144 LYS LYS A . n A 1 63 HIS 63 145 145 HIS HIS A . n A 1 64 SER 64 146 146 SER SER A . n A 1 65 ASN 65 147 147 ASN ASN A . n A 1 66 GLY 66 148 148 GLY GLY A . n A 1 67 THR 67 149 149 THR THR A . n A 1 68 ILE 68 150 150 ILE ILE A . n A 1 69 HIS 69 151 151 HIS HIS A . n A 1 70 ASP 70 152 152 ASP ASP A . n A 1 71 ARG 71 153 153 ARG ARG A . n A 1 72 SER 72 154 154 SER SER A . n A 1 73 GLN 73 155 155 GLN GLN A . n A 1 74 TYR 74 156 156 TYR TYR A . n A 1 75 ARG 75 157 157 ARG ARG A . n A 1 76 ALA 76 158 158 ALA ALA A . n A 1 77 LEU 77 159 159 LEU LEU A . n A 1 78 ILE 78 160 160 ILE ILE A . n A 1 79 SER 79 161 161 SER SER A . n A 1 80 TRP 80 162 162 TRP TRP A . n A 1 81 PRO 81 163 163 PRO PRO A . n A 1 82 LEU 82 164 164 LEU LEU A . n A 1 83 SER 83 165 165 SER SER A . n A 1 84 SER 84 166 166 SER SER A . n A 1 85 PRO 85 167 167 PRO PRO A . n A 1 86 PRO 86 168 168 PRO PRO A . n A 1 87 THR 87 169 169 THR THR A . n A 1 88 VAL 88 170 170 VAL VAL A . n A 1 89 TYR 89 171 171 TYR TYR A . n A 1 90 ASN 90 172 172 ASN ASN A . n A 1 91 SER 91 173 173 SER SER A . n A 1 92 ARG 92 174 174 ARG ARG A . n A 1 93 VAL 93 175 175 VAL VAL A . n A 1 94 GLU 94 176 176 GLU GLU A . n A 1 95 CYS 95 177 177 CYS CYS A . n A 1 96 ILE 96 178 178 ILE ILE A . n A 1 97 GLY 97 179 179 GLY GLY A . n A 1 98 TRP 98 180 180 TRP TRP A . n A 1 99 SER 99 181 181 SER SER A . n A 1 100 SER 100 182 182 SER SER A . n A 1 101 THR 101 183 183 THR THR A . n A 1 102 SER 102 184 184 SER SER A . n A 1 103 CYS 103 185 185 CYS CYS A . n A 1 104 HIS 104 186 186 HIS HIS A . n A 1 105 ASP 105 187 187 ASP ASP A . n A 1 106 GLY 106 188 188 GLY GLY A . n A 1 107 LYS 107 189 189 LYS LYS A . n A 1 108 SER 108 190 190 SER SER A . n A 1 109 ARG 109 191 191 ARG ARG A . n A 1 110 MET 110 192 192 MET MET A . n A 1 111 SER 111 193 193 SER SER A . n A 1 112 ILE 112 194 194 ILE ILE A . n A 1 113 CYS 113 195 195 CYS CYS A . n A 1 114 ILE 114 196 196 ILE ILE A . n A 1 115 SER 115 197 197 SER SER A . n A 1 116 GLY 116 198 198 GLY GLY A . n A 1 117 PRO 117 199 199 PRO PRO A . n A 1 118 ASN 118 200 200 ASN ASN A . n A 1 119 ASN 119 201 201 ASN ASN A . n A 1 120 ASN 120 202 202 ASN ASN A . n A 1 121 ALA 121 203 203 ALA ALA A . n A 1 122 SER 122 204 204 SER SER A . n A 1 123 ALA 123 205 205 ALA ALA A . n A 1 124 VAL 124 206 206 VAL VAL A . n A 1 125 VAL 125 207 207 VAL VAL A . n A 1 126 TRP 126 208 208 TRP TRP A . n A 1 127 TYR 127 209 209 TYR TYR A . n A 1 128 ASN 128 210 210 ASN ASN A . n A 1 129 ARG 129 211 211 ARG ARG A . n A 1 130 ARG 130 212 212 ARG ARG A . n A 1 131 PRO 131 213 213 PRO PRO A . n A 1 132 VAL 132 214 214 VAL VAL A . n A 1 133 ALA 133 215 215 ALA ALA A . n A 1 134 GLU 134 216 216 GLU GLU A . n A 1 135 ILE 135 217 217 ILE ILE A . n A 1 136 ASN 136 218 218 ASN ASN A . n A 1 137 THR 137 219 219 THR THR A . n A 1 138 TRP 138 220 220 TRP TRP A . n A 1 139 ALA 139 221 221 ALA ALA A . n A 1 140 ARG 140 222 222 ARG ARG A . n A 1 141 ASN 141 223 223 ASN ASN A . n A 1 142 ILE 142 224 224 ILE ILE A . n A 1 143 LEU 143 225 225 LEU LEU A . n A 1 144 ARG 144 226 226 ARG ARG A . n A 1 145 THR 145 227 227 THR THR A . n A 1 146 GLN 146 228 228 GLN GLN A . n A 1 147 GLU 147 229 229 GLU GLU A . n A 1 148 SER 148 230 230 SER SER A . n A 1 149 GLU 149 231 231 GLU GLU A . n A 1 150 CYS 150 232 232 CYS CYS A . n A 1 151 VAL 151 233 233 VAL VAL A . n A 1 152 CYS 152 234 234 CYS CYS A . n A 1 153 HIS 153 235 235 HIS HIS A . n A 1 154 ASN 154 236 236 ASN ASN A . n A 1 155 GLY 155 237 237 GLY GLY A . n A 1 156 VAL 156 238 238 VAL VAL A . n A 1 157 CYS 157 239 239 CYS CYS A . n A 1 158 PRO 158 240 240 PRO PRO A . n A 1 159 VAL 159 241 241 VAL VAL A . n A 1 160 VAL 160 242 242 VAL VAL A . n A 1 161 PHE 161 243 243 PHE PHE A . n A 1 162 THR 162 244 244 THR THR A . n A 1 163 ASP 163 245 245 ASP ASP A . n A 1 164 GLY 164 246 246 GLY GLY A . n A 1 165 SER 165 247 247 SER SER A . n A 1 166 ALA 166 248 248 ALA ALA A . n A 1 167 THR 167 249 249 THR THR A . n A 1 168 GLY 168 250 250 GLY GLY A . n A 1 169 PRO 169 251 251 PRO PRO A . n A 1 170 ALA 170 252 252 ALA ALA A . n A 1 171 ASP 171 253 253 ASP ASP A . n A 1 172 THR 172 254 254 THR THR A . n A 1 173 ARG 173 255 255 ARG ARG A . n A 1 174 ILE 174 256 256 ILE ILE A . n A 1 175 TYR 175 257 257 TYR TYR A . n A 1 176 TYR 176 258 258 TYR TYR A . n A 1 177 PHE 177 259 259 PHE PHE A . n A 1 178 LYS 178 260 260 LYS LYS A . n A 1 179 GLU 179 261 261 GLU GLU A . n A 1 180 GLY 180 262 262 GLY GLY A . n A 1 181 LYS 181 263 263 LYS LYS A . n A 1 182 ILE 182 264 264 ILE ILE A . n A 1 183 LEU 183 265 265 LEU LEU A . n A 1 184 LYS 184 266 266 LYS LYS A . n A 1 185 TRP 185 267 267 TRP TRP A . n A 1 186 GLU 186 268 268 GLU GLU A . n A 1 187 SER 187 269 269 SER SER A . n A 1 188 LEU 188 270 270 LEU LEU A . n A 1 189 THR 189 271 271 THR THR A . n A 1 190 GLY 190 272 272 GLY GLY A . n A 1 191 THR 191 273 273 THR THR A . n A 1 192 ALA 192 274 274 ALA ALA A . n A 1 193 LYS 193 275 275 LYS LYS A . n A 1 194 HIS 194 276 276 HIS HIS A . n A 1 195 ILE 195 277 277 ILE ILE A . n A 1 196 GLU 196 278 278 GLU GLU A . n A 1 197 GLU 197 279 279 GLU GLU A . n A 1 198 CYS 198 280 280 CYS CYS A . n A 1 199 SER 199 281 281 SER SER A . n A 1 200 CYS 200 282 282 CYS CYS A . n A 1 201 TYR 201 283 283 TYR TYR A . n A 1 202 GLY 202 284 284 GLY GLY A . n A 1 203 GLU 203 285 285 GLU GLU A . n A 1 204 ARG 204 286 286 ARG ARG A . n A 1 205 THR 205 287 287 THR THR A . n A 1 206 GLY 206 288 288 GLY GLY A . n A 1 207 ILE 207 289 289 ILE ILE A . n A 1 208 THR 208 290 290 THR THR A . n A 1 209 CYS 209 291 291 CYS CYS A . n A 1 210 THR 210 292 292 THR THR A . n A 1 211 CYS 211 293 293 CYS CYS A . n A 1 212 ARG 212 294 294 ARG ARG A . n A 1 213 ASP 213 295 295 ASP ASP A . n A 1 214 ASN 214 296 296 ASN ASN A . n A 1 215 TRP 215 297 297 TRP TRP A . n A 1 216 GLN 216 298 298 GLN GLN A . n A 1 217 GLY 217 299 299 GLY GLY A . n A 1 218 SER 218 300 300 SER SER A . n A 1 219 ASN 219 301 301 ASN ASN A . n A 1 220 ARG 220 302 302 ARG ARG A . n A 1 221 PRO 221 303 303 PRO PRO A . n A 1 222 VAL 222 304 304 VAL VAL A . n A 1 223 ILE 223 305 305 ILE ILE A . n A 1 224 GLN 224 306 306 GLN GLN A . n A 1 225 ILE 225 307 307 ILE ILE A . n A 1 226 ASP 226 308 308 ASP ASP A . n A 1 227 PRO 227 309 309 PRO PRO A . n A 1 228 VAL 228 310 310 VAL VAL A . n A 1 229 ALA 229 311 311 ALA ALA A . n A 1 230 MET 230 312 312 MET MET A . n A 1 231 THR 231 313 313 THR THR A . n A 1 232 HIS 232 314 314 HIS HIS A . n A 1 233 THR 233 315 315 THR THR A . n A 1 234 SER 234 316 316 SER SER A . n A 1 235 GLN 235 317 317 GLN GLN A . n A 1 236 TYR 236 318 318 TYR TYR A . n A 1 237 ILE 237 319 319 ILE ILE A . n A 1 238 CYS 238 320 320 CYS CYS A . n A 1 239 SER 239 321 321 SER SER A . n A 1 240 PRO 240 322 322 PRO PRO A . n A 1 241 VAL 241 323 323 VAL VAL A . n A 1 242 LEU 242 324 324 LEU LEU A . n A 1 243 THR 243 325 325 THR THR A . n A 1 244 ASP 244 326 326 ASP ASP A . n A 1 245 ASN 245 327 327 ASN ASN A . n A 1 246 PRO 246 328 328 PRO PRO A . n A 1 247 ARG 247 329 329 ARG ARG A . n A 1 248 PRO 248 330 330 PRO PRO A . n A 1 249 ASN 249 331 331 ASN ASN A . n A 1 250 ASP 250 332 332 ASP ASP A . n A 1 251 PRO 251 333 333 PRO PRO A . n A 1 252 ASN 252 334 334 ASN ASN A . n A 1 253 ILE 253 335 335 ILE ILE A . n A 1 254 GLY 254 336 336 GLY GLY A . n A 1 255 LYS 255 337 337 LYS LYS A . n A 1 256 CYS 256 338 338 CYS CYS A . n A 1 257 ASN 257 339 339 ASN ASN A . n A 1 258 ASP 258 340 340 ASP ASP A . n A 1 259 PRO 259 341 341 PRO PRO A . n A 1 260 TYR 260 342 342 TYR TYR A . n A 1 261 PRO 261 343 343 PRO PRO A . n A 1 262 GLY 262 344 344 GLY GLY A . n A 1 263 ASN 263 345 345 ASN ASN A . n A 1 264 ASN 264 346 346 ASN ASN A . n A 1 265 ASN 265 347 347 ASN ASN A . n A 1 266 ASN 266 348 348 ASN ASN A . n A 1 267 GLY 267 349 349 GLY GLY A . n A 1 268 VAL 268 350 350 VAL VAL A . n A 1 269 LYS 269 351 351 LYS LYS A . n A 1 270 GLY 270 352 352 GLY GLY A . n A 1 271 PHE 271 353 353 PHE PHE A . n A 1 272 SER 272 354 354 SER SER A . n A 1 273 TYR 273 355 355 TYR TYR A . n A 1 274 LEU 274 356 356 LEU LEU A . n A 1 275 ASP 275 357 357 ASP ASP A . n A 1 276 GLY 276 358 358 GLY GLY A . n A 1 277 ALA 277 359 359 ALA ALA A . n A 1 278 ASN 278 360 360 ASN ASN A . n A 1 279 THR 279 361 361 THR THR A . n A 1 280 TRP 280 362 362 TRP TRP A . n A 1 281 LEU 281 363 363 LEU LEU A . n A 1 282 GLY 282 364 364 GLY GLY A . n A 1 283 ARG 283 365 365 ARG ARG A . n A 1 284 THR 284 366 366 THR THR A . n A 1 285 ILE 285 367 367 ILE ILE A . n A 1 286 SER 286 368 368 SER SER A . n A 1 287 THR 287 369 369 THR THR A . n A 1 288 ALA 288 370 370 ALA ALA A . n A 1 289 SER 289 371 371 SER SER A . n A 1 290 ARG 290 372 372 ARG ARG A . n A 1 291 SER 291 373 373 SER SER A . n A 1 292 GLY 292 374 374 GLY GLY A . n A 1 293 TYR 293 375 375 TYR TYR A . n A 1 294 GLU 294 376 376 GLU GLU A . n A 1 295 MET 295 377 377 MET MET A . n A 1 296 LEU 296 378 378 LEU LEU A . n A 1 297 LYS 297 379 379 LYS LYS A . n A 1 298 VAL 298 380 380 VAL VAL A . n A 1 299 PRO 299 381 381 PRO PRO A . n A 1 300 ASN 300 382 382 ASN ASN A . n A 1 301 ALA 301 383 383 ALA ALA A . n A 1 302 LEU 302 384 384 LEU LEU A . n A 1 303 THR 303 385 385 THR THR A . n A 1 304 ASP 304 386 386 ASP ASP A . n A 1 305 ASP 305 387 387 ASP ASP A . n A 1 306 ARG 306 388 388 ARG ARG A . n A 1 307 SER 307 389 389 SER SER A . n A 1 308 LYS 308 390 390 LYS LYS A . n A 1 309 PRO 309 391 391 PRO PRO A . n A 1 310 ILE 310 392 392 ILE ILE A . n A 1 311 GLN 311 393 393 GLN GLN A . n A 1 312 GLY 312 394 394 GLY GLY A . n A 1 313 GLN 313 395 395 GLN GLN A . n A 1 314 THR 314 396 396 THR THR A . n A 1 315 ILE 315 397 397 ILE ILE A . n A 1 316 VAL 316 398 398 VAL VAL A . n A 1 317 LEU 317 399 399 LEU LEU A . n A 1 318 ASN 318 400 400 ASN ASN A . n A 1 319 ALA 319 401 401 ALA ALA A . n A 1 320 ASP 320 402 402 ASP ASP A . n A 1 321 TRP 321 403 403 TRP TRP A . n A 1 322 SER 322 404 404 SER SER A . n A 1 323 GLY 323 405 405 GLY GLY A . n A 1 324 TYR 324 406 406 TYR TYR A . n A 1 325 SER 325 407 407 SER SER A . n A 1 326 GLY 326 408 408 GLY GLY A . n A 1 327 SER 327 409 409 SER SER A . n A 1 328 PHE 328 410 410 PHE PHE A . n A 1 329 MET 329 411 411 MET MET A . n A 1 330 ASP 330 412 412 ASP ASP A . n A 1 331 TYR 331 413 413 TYR TYR A . n A 1 332 TRP 332 414 414 TRP TRP A . n A 1 333 ALA 333 415 415 ALA ALA A . n A 1 334 GLU 334 416 416 GLU GLU A . n A 1 335 GLY 335 417 417 GLY GLY A . n A 1 336 ASP 336 418 418 ASP ASP A . n A 1 337 CYS 337 419 419 CYS CYS A . n A 1 338 TYR 338 420 420 TYR TYR A . n A 1 339 ARG 339 421 421 ARG ARG A . n A 1 340 ALA 340 422 422 ALA ALA A . n A 1 341 CYS 341 423 423 CYS CYS A . n A 1 342 PHE 342 424 424 PHE PHE A . n A 1 343 TYR 343 425 425 TYR TYR A . n A 1 344 VAL 344 426 426 VAL VAL A . n A 1 345 GLU 345 427 427 GLU GLU A . n A 1 346 LEU 346 428 428 LEU LEU A . n A 1 347 ILE 347 429 429 ILE ILE A . n A 1 348 ARG 348 430 430 ARG ARG A . n A 1 349 GLY 349 431 431 GLY GLY A . n A 1 350 ARG 350 432 432 ARG ARG A . n A 1 351 PRO 351 433 433 PRO PRO A . n A 1 352 LYS 352 434 434 LYS LYS A . n A 1 353 GLU 353 435 435 GLU GLU A . n A 1 354 ASP 354 436 436 ASP ASP A . n A 1 355 LYS 355 437 437 LYS LYS A . n A 1 356 VAL 356 438 438 VAL VAL A . n A 1 357 TRP 357 439 439 TRP TRP A . n A 1 358 TRP 358 440 440 TRP TRP A . n A 1 359 THR 359 441 441 THR THR A . n A 1 360 SER 360 442 442 SER SER A . n A 1 361 ASN 361 443 443 ASN ASN A . n A 1 362 SER 362 444 444 SER SER A . n A 1 363 ILE 363 445 445 ILE ILE A . n A 1 364 VAL 364 446 446 VAL VAL A . n A 1 365 SER 365 447 447 SER SER A . n A 1 366 MET 366 448 448 MET MET A . n A 1 367 CYS 367 449 449 CYS CYS A . n A 1 368 SER 368 450 450 SER SER A . n A 1 369 SER 369 451 451 SER SER A . n A 1 370 THR 370 452 452 THR THR A . n A 1 371 GLU 371 453 453 GLU GLU A . n A 1 372 PHE 372 454 454 PHE PHE A . n A 1 373 LEU 373 455 455 LEU LEU A . n A 1 374 GLY 374 456 456 GLY GLY A . n A 1 375 GLN 375 457 457 GLN GLN A . n A 1 376 TRP 376 458 458 TRP TRP A . n A 1 377 ASN 377 459 459 ASN ASN A . n A 1 378 TRP 378 460 460 TRP TRP A . n A 1 379 PRO 379 461 461 PRO PRO A . n A 1 380 ASP 380 462 462 ASP ASP A . n A 1 381 GLY 381 463 463 GLY GLY A . n A 1 382 ALA 382 464 464 ALA ALA A . n A 1 383 LYS 383 465 465 LYS LYS A . n A 1 384 ILE 384 466 466 ILE ILE A . n A 1 385 GLU 385 467 467 GLU GLU A . n A 1 386 TYR 386 468 468 TYR TYR A . n A 1 387 PHE 387 469 469 PHE PHE A . n A 1 388 LEU 388 470 470 LEU LEU A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 501 501 NAG NAG A . C 2 NAG 1 502 502 NAG NAG A . D 2 NAG 1 503 503 NAG NAG A . E 2 NAG 2 504 504 NAG NAG A . F 3 BMA 3 505 505 BMA BMA A . G 4 MAN 4 506 506 MAN MAN A . H 4 MAN 5 507 507 MAN MAN A . I 4 MAN 6 508 508 MAN MAN A . J 4 MAN 7 509 509 MAN MAN A . K 4 MAN 8 510 510 MAN MAN A . L 4 MAN 9 511 511 MAN MAN A . M 5 CA 1 512 601 CA CA A . N 6 HOH 1 601 1 HOH HOH A . N 6 HOH 2 602 2 HOH HOH A . N 6 HOH 3 603 3 HOH HOH A . N 6 HOH 4 604 4 HOH HOH A . N 6 HOH 5 605 5 HOH HOH A . N 6 HOH 6 606 6 HOH HOH A . N 6 HOH 7 607 7 HOH HOH A . N 6 HOH 8 608 8 HOH HOH A . N 6 HOH 9 609 9 HOH HOH A . N 6 HOH 10 610 10 HOH HOH A . N 6 HOH 11 611 11 HOH HOH A . N 6 HOH 12 612 12 HOH HOH A . N 6 HOH 13 613 13 HOH HOH A . N 6 HOH 14 614 14 HOH HOH A . N 6 HOH 15 615 15 HOH HOH A . N 6 HOH 16 616 16 HOH HOH A . N 6 HOH 17 617 17 HOH HOH A . N 6 HOH 18 618 18 HOH HOH A . N 6 HOH 19 619 19 HOH HOH A . N 6 HOH 20 620 20 HOH HOH A . N 6 HOH 21 621 21 HOH HOH A . N 6 HOH 22 622 22 HOH HOH A . N 6 HOH 23 623 23 HOH HOH A . N 6 HOH 24 624 24 HOH HOH A . N 6 HOH 25 625 25 HOH HOH A . N 6 HOH 26 626 26 HOH HOH A . N 6 HOH 27 627 27 HOH HOH A . N 6 HOH 28 628 28 HOH HOH A . N 6 HOH 29 629 29 HOH HOH A . N 6 HOH 30 630 30 HOH HOH A . N 6 HOH 31 631 31 HOH HOH A . N 6 HOH 32 632 32 HOH HOH A . N 6 HOH 33 633 33 HOH HOH A . N 6 HOH 34 634 34 HOH HOH A . N 6 HOH 35 635 35 HOH HOH A . N 6 HOH 36 636 36 HOH HOH A . N 6 HOH 37 637 37 HOH HOH A . N 6 HOH 38 638 38 HOH HOH A . N 6 HOH 39 639 39 HOH HOH A . N 6 HOH 40 640 40 HOH HOH A . N 6 HOH 41 641 41 HOH HOH A . N 6 HOH 42 642 42 HOH HOH A . N 6 HOH 43 643 43 HOH HOH A . N 6 HOH 44 644 44 HOH HOH A . N 6 HOH 45 645 45 HOH HOH A . N 6 HOH 46 646 46 HOH HOH A . N 6 HOH 47 647 47 HOH HOH A . N 6 HOH 48 648 48 HOH HOH A . N 6 HOH 49 649 49 HOH HOH A . N 6 HOH 50 650 50 HOH HOH A . N 6 HOH 51 651 51 HOH HOH A . N 6 HOH 52 652 52 HOH HOH A . N 6 HOH 53 653 53 HOH HOH A . N 6 HOH 54 654 54 HOH HOH A . N 6 HOH 55 655 55 HOH HOH A . N 6 HOH 56 656 56 HOH HOH A . N 6 HOH 57 657 57 HOH HOH A . N 6 HOH 58 658 58 HOH HOH A . N 6 HOH 59 659 59 HOH HOH A . N 6 HOH 60 660 60 HOH HOH A . N 6 HOH 61 661 61 HOH HOH A . N 6 HOH 62 662 62 HOH HOH A . N 6 HOH 63 663 63 HOH HOH A . N 6 HOH 64 664 64 HOH HOH A . N 6 HOH 65 665 65 HOH HOH A . N 6 HOH 66 666 66 HOH HOH A . N 6 HOH 67 667 67 HOH HOH A . N 6 HOH 68 668 68 HOH HOH A . N 6 HOH 69 669 69 HOH HOH A . N 6 HOH 70 670 70 HOH HOH A . N 6 HOH 71 671 71 HOH HOH A . N 6 HOH 72 672 72 HOH HOH A . N 6 HOH 73 673 73 HOH HOH A . N 6 HOH 74 674 74 HOH HOH A . N 6 HOH 75 675 75 HOH HOH A . N 6 HOH 76 676 76 HOH HOH A . N 6 HOH 77 677 77 HOH HOH A . N 6 HOH 78 678 78 HOH HOH A . N 6 HOH 79 679 79 HOH HOH A . N 6 HOH 80 680 80 HOH HOH A . N 6 HOH 81 681 81 HOH HOH A . N 6 HOH 82 682 82 HOH HOH A . N 6 HOH 83 683 83 HOH HOH A . N 6 HOH 84 684 84 HOH HOH A . N 6 HOH 85 685 85 HOH HOH A . N 6 HOH 86 686 86 HOH HOH A . N 6 HOH 87 687 87 HOH HOH A . N 6 HOH 88 688 88 HOH HOH A . N 6 HOH 89 689 89 HOH HOH A . N 6 HOH 90 690 90 HOH HOH A . N 6 HOH 91 691 91 HOH HOH A . N 6 HOH 92 692 92 HOH HOH A . N 6 HOH 93 693 93 HOH HOH A . N 6 HOH 94 694 94 HOH HOH A . N 6 HOH 95 695 95 HOH HOH A . N 6 HOH 96 696 96 HOH HOH A . N 6 HOH 97 697 97 HOH HOH A . N 6 HOH 98 698 98 HOH HOH A . N 6 HOH 99 699 99 HOH HOH A . N 6 HOH 100 700 100 HOH HOH A . N 6 HOH 101 701 101 HOH HOH A . N 6 HOH 102 702 102 HOH HOH A . N 6 HOH 103 703 103 HOH HOH A . N 6 HOH 104 704 104 HOH HOH A . N 6 HOH 105 705 105 HOH HOH A . N 6 HOH 106 706 106 HOH HOH A . N 6 HOH 107 707 107 HOH HOH A . N 6 HOH 108 708 108 HOH HOH A . N 6 HOH 109 709 109 HOH HOH A . N 6 HOH 110 710 110 HOH HOH A . N 6 HOH 111 711 111 HOH HOH A . N 6 HOH 112 712 112 HOH HOH A . N 6 HOH 113 713 113 HOH HOH A . N 6 HOH 114 714 114 HOH HOH A . N 6 HOH 115 715 115 HOH HOH A . N 6 HOH 116 716 116 HOH HOH A . N 6 HOH 117 717 117 HOH HOH A . N 6 HOH 118 718 118 HOH HOH A . N 6 HOH 119 719 119 HOH HOH A . N 6 HOH 120 720 120 HOH HOH A . N 6 HOH 121 721 121 HOH HOH A . N 6 HOH 122 722 122 HOH HOH A . N 6 HOH 123 723 123 HOH HOH A . N 6 HOH 124 724 124 HOH HOH A . N 6 HOH 125 725 125 HOH HOH A . N 6 HOH 126 726 126 HOH HOH A . N 6 HOH 127 727 127 HOH HOH A . N 6 HOH 128 728 128 HOH HOH A . N 6 HOH 129 729 129 HOH HOH A . N 6 HOH 130 730 130 HOH HOH A . N 6 HOH 131 731 131 HOH HOH A . N 6 HOH 132 732 132 HOH HOH A . N 6 HOH 133 733 133 HOH HOH A . N 6 HOH 134 734 134 HOH HOH A . N 6 HOH 135 735 135 HOH HOH A . N 6 HOH 136 736 136 HOH HOH A . N 6 HOH 137 737 137 HOH HOH A . N 6 HOH 138 738 138 HOH HOH A . N 6 HOH 139 739 139 HOH HOH A . N 6 HOH 140 740 140 HOH HOH A . N 6 HOH 141 741 141 HOH HOH A . N 6 HOH 142 742 142 HOH HOH A . N 6 HOH 143 743 143 HOH HOH A . N 6 HOH 144 744 144 HOH HOH A . N 6 HOH 145 745 145 HOH HOH A . N 6 HOH 146 746 146 HOH HOH A . N 6 HOH 147 747 147 HOH HOH A . N 6 HOH 148 748 148 HOH HOH A . N 6 HOH 149 749 149 HOH HOH A . N 6 HOH 150 750 150 HOH HOH A . N 6 HOH 151 751 151 HOH HOH A . N 6 HOH 152 752 152 HOH HOH A . N 6 HOH 153 753 153 HOH HOH A . N 6 HOH 154 754 154 HOH HOH A . N 6 HOH 155 755 155 HOH HOH A . N 6 HOH 156 756 156 HOH HOH A . N 6 HOH 157 757 157 HOH HOH A . N 6 HOH 158 758 158 HOH HOH A . N 6 HOH 159 759 159 HOH HOH A . N 6 HOH 160 760 160 HOH HOH A . N 6 HOH 161 761 161 HOH HOH A . N 6 HOH 162 762 162 HOH HOH A . N 6 HOH 163 763 163 HOH HOH A . N 6 HOH 164 764 164 HOH HOH A . N 6 HOH 165 765 165 HOH HOH A . N 6 HOH 166 766 166 HOH HOH A . N 6 HOH 167 767 167 HOH HOH A . N 6 HOH 168 768 168 HOH HOH A . N 6 HOH 169 769 169 HOH HOH A . N 6 HOH 170 770 170 HOH HOH A . N 6 HOH 171 771 171 HOH HOH A . N 6 HOH 172 772 172 HOH HOH A . N 6 HOH 173 773 173 HOH HOH A . N 6 HOH 174 774 174 HOH HOH A . N 6 HOH 175 775 175 HOH HOH A . N 6 HOH 176 776 176 HOH HOH A . N 6 HOH 177 777 177 HOH HOH A . N 6 HOH 178 778 178 HOH HOH A . N 6 HOH 179 779 179 HOH HOH A . N 6 HOH 180 780 180 HOH HOH A . N 6 HOH 181 781 181 HOH HOH A . N 6 HOH 182 782 182 HOH HOH A . N 6 HOH 183 783 183 HOH HOH A . N 6 HOH 184 784 184 HOH HOH A . N 6 HOH 185 785 185 HOH HOH A . N 6 HOH 186 786 186 HOH HOH A . N 6 HOH 187 787 187 HOH HOH A . N 6 HOH 188 788 188 HOH HOH A . N 6 HOH 189 789 189 HOH HOH A . N 6 HOH 190 790 190 HOH HOH A . N 6 HOH 191 791 191 HOH HOH A . N 6 HOH 192 792 192 HOH HOH A . N 6 HOH 193 793 193 HOH HOH A . N 6 HOH 194 794 194 HOH HOH A . N 6 HOH 195 795 195 HOH HOH A . N 6 HOH 196 796 196 HOH HOH A . N 6 HOH 197 797 197 HOH HOH A . N 6 HOH 198 798 198 HOH HOH A . N 6 HOH 199 799 199 HOH HOH A . N 6 HOH 200 800 200 HOH HOH A . N 6 HOH 201 801 201 HOH HOH A . N 6 HOH 202 802 202 HOH HOH A . N 6 HOH 203 803 203 HOH HOH A . N 6 HOH 204 804 204 HOH HOH A . N 6 HOH 205 805 205 HOH HOH A . N 6 HOH 206 806 206 HOH HOH A . N 6 HOH 207 807 207 HOH HOH A . N 6 HOH 208 808 208 HOH HOH A . N 6 HOH 209 809 209 HOH HOH A . N 6 HOH 210 810 210 HOH HOH A . N 6 HOH 211 811 211 HOH HOH A . N 6 HOH 212 812 212 HOH HOH A . N 6 HOH 213 813 213 HOH HOH A . N 6 HOH 214 814 214 HOH HOH A . N 6 HOH 215 815 215 HOH HOH A . N 6 HOH 216 816 216 HOH HOH A . N 6 HOH 217 817 217 HOH HOH A . N 6 HOH 218 818 218 HOH HOH A . N 6 HOH 219 819 219 HOH HOH A . N 6 HOH 220 820 220 HOH HOH A . N 6 HOH 221 821 221 HOH HOH A . N 6 HOH 222 822 222 HOH HOH A . N 6 HOH 223 823 223 HOH HOH A . N 6 HOH 224 824 224 HOH HOH A . N 6 HOH 225 825 225 HOH HOH A . N 6 HOH 226 826 226 HOH HOH A . N 6 HOH 227 827 227 HOH HOH A . N 6 HOH 228 828 228 HOH HOH A . N 6 HOH 229 829 229 HOH HOH A . N 6 HOH 230 830 230 HOH HOH A . N 6 HOH 231 831 231 HOH HOH A . N 6 HOH 232 832 232 HOH HOH A . N 6 HOH 233 833 233 HOH HOH A . N 6 HOH 234 834 234 HOH HOH A . N 6 HOH 235 835 235 HOH HOH A . N 6 HOH 236 836 236 HOH HOH A . N 6 HOH 237 837 237 HOH HOH A . N 6 HOH 238 838 238 HOH HOH A . N 6 HOH 239 839 239 HOH HOH A . N 6 HOH 240 840 240 HOH HOH A . N 6 HOH 241 841 241 HOH HOH A . N 6 HOH 242 842 242 HOH HOH A . N 6 HOH 243 843 243 HOH HOH A . N 6 HOH 244 844 244 HOH HOH A . N 6 HOH 245 845 245 HOH HOH A . N 6 HOH 246 846 246 HOH HOH A . N 6 HOH 247 847 247 HOH HOH A . N 6 HOH 248 848 248 HOH HOH A . N 6 HOH 249 849 249 HOH HOH A . N 6 HOH 250 850 250 HOH HOH A . N 6 HOH 251 851 251 HOH HOH A . N 6 HOH 252 852 252 HOH HOH A . N 6 HOH 253 853 253 HOH HOH A . N 6 HOH 254 854 254 HOH HOH A . N 6 HOH 255 855 255 HOH HOH A . N 6 HOH 256 856 256 HOH HOH A . N 6 HOH 257 857 257 HOH HOH A . N 6 HOH 258 858 258 HOH HOH A . N 6 HOH 259 859 259 HOH HOH A . N 6 HOH 260 860 260 HOH HOH A . N 6 HOH 261 861 261 HOH HOH A . N 6 HOH 262 862 262 HOH HOH A . N 6 HOH 263 863 263 HOH HOH A . N 6 HOH 264 864 264 HOH HOH A . N 6 HOH 265 865 265 HOH HOH A . N 6 HOH 266 866 266 HOH HOH A . N 6 HOH 267 867 267 HOH HOH A . N 6 HOH 268 868 268 HOH HOH A . N 6 HOH 269 869 269 HOH HOH A . N 6 HOH 270 870 270 HOH HOH A . N 6 HOH 271 871 271 HOH HOH A . N 6 HOH 272 872 272 HOH HOH A . N 6 HOH 273 873 273 HOH HOH A . N 6 HOH 274 874 274 HOH HOH A . N 6 HOH 275 875 275 HOH HOH A . N 6 HOH 276 876 276 HOH HOH A . N 6 HOH 277 877 277 HOH HOH A . N 6 HOH 278 878 278 HOH HOH A . N 6 HOH 279 879 279 HOH HOH A . N 6 HOH 280 880 280 HOH HOH A . N 6 HOH 281 881 281 HOH HOH A . N 6 HOH 282 882 282 HOH HOH A . N 6 HOH 283 883 283 HOH HOH A . N 6 HOH 284 884 284 HOH HOH A . N 6 HOH 285 885 285 HOH HOH A . N 6 HOH 286 886 286 HOH HOH A . N 6 HOH 287 887 287 HOH HOH A . N 6 HOH 288 888 288 HOH HOH A . N 6 HOH 289 889 289 HOH HOH A . N 6 HOH 290 890 290 HOH HOH A . N 6 HOH 291 891 291 HOH HOH A . N 6 HOH 292 892 292 HOH HOH A . N 6 HOH 293 893 293 HOH HOH A . N 6 HOH 294 894 294 HOH HOH A . N 6 HOH 295 895 295 HOH HOH A . N 6 HOH 296 896 296 HOH HOH A . N 6 HOH 297 897 297 HOH HOH A . N 6 HOH 298 898 298 HOH HOH A . N 6 HOH 299 899 299 HOH HOH A . N 6 HOH 300 900 300 HOH HOH A . N 6 HOH 301 901 301 HOH HOH A . N 6 HOH 302 902 302 HOH HOH A . N 6 HOH 303 903 303 HOH HOH A . N 6 HOH 304 904 304 HOH HOH A . N 6 HOH 305 905 305 HOH HOH A . N 6 HOH 306 906 306 HOH HOH A . N 6 HOH 307 907 307 HOH HOH A . N 6 HOH 308 908 308 HOH HOH A . N 6 HOH 309 909 309 HOH HOH A . N 6 HOH 310 910 310 HOH HOH A . N 6 HOH 311 911 311 HOH HOH A . N 6 HOH 312 912 312 HOH HOH A . N 6 HOH 313 913 313 HOH HOH A . N 6 HOH 314 914 314 HOH HOH A . N 6 HOH 315 915 315 HOH HOH A . N 6 HOH 316 916 316 HOH HOH A . N 6 HOH 317 917 317 HOH HOH A . N 6 HOH 318 918 318 HOH HOH A . N 6 HOH 319 919 319 HOH HOH A . N 6 HOH 320 920 320 HOH HOH A . N 6 HOH 321 921 321 HOH HOH A . N 6 HOH 322 922 322 HOH HOH A . N 6 HOH 323 923 323 HOH HOH A . N 6 HOH 324 924 324 HOH HOH A . N 6 HOH 325 925 325 HOH HOH A . N 6 HOH 326 926 326 HOH HOH A . N 6 HOH 327 927 327 HOH HOH A . N 6 HOH 328 928 328 HOH HOH A . N 6 HOH 329 929 329 HOH HOH A . N 6 HOH 330 930 330 HOH HOH A . N 6 HOH 331 931 331 HOH HOH A . N 6 HOH 332 932 332 HOH HOH A . N 6 HOH 333 933 333 HOH HOH A . N 6 HOH 334 934 334 HOH HOH A . N 6 HOH 335 935 335 HOH HOH A . N 6 HOH 336 936 336 HOH HOH A . N 6 HOH 337 937 337 HOH HOH A . N 6 HOH 338 938 338 HOH HOH A . N 6 HOH 339 939 339 HOH HOH A . N 6 HOH 340 940 340 HOH HOH A . N 6 HOH 341 941 341 HOH HOH A . N 6 HOH 342 942 342 HOH HOH A . N 6 HOH 343 943 343 HOH HOH A . N 6 HOH 344 944 344 HOH HOH A . N 6 HOH 345 945 345 HOH HOH A . N 6 HOH 346 946 346 HOH HOH A . N 6 HOH 347 947 347 HOH HOH A . N 6 HOH 348 948 348 HOH HOH A . N 6 HOH 349 949 349 HOH HOH A . N 6 HOH 350 950 350 HOH HOH A . N 6 HOH 351 951 351 HOH HOH A . N 6 HOH 352 952 352 HOH HOH A . N 6 HOH 353 953 353 HOH HOH A . N 6 HOH 354 954 354 HOH HOH A . N 6 HOH 355 955 355 HOH HOH A . N 6 HOH 356 956 356 HOH HOH A . N 6 HOH 357 957 357 HOH HOH A . N 6 HOH 358 958 358 HOH HOH A . N 6 HOH 359 959 359 HOH HOH A . N 6 HOH 360 960 360 HOH HOH A . N 6 HOH 361 961 361 HOH HOH A . N 6 HOH 362 962 362 HOH HOH A . N 6 HOH 363 963 363 HOH HOH A . N 6 HOH 364 964 364 HOH HOH A . N 6 HOH 365 965 365 HOH HOH A . N 6 HOH 366 966 366 HOH HOH A . N 6 HOH 367 967 367 HOH HOH A . N 6 HOH 368 968 368 HOH HOH A . N 6 HOH 369 969 369 HOH HOH A . N 6 HOH 370 970 370 HOH HOH A . N 6 HOH 371 971 371 HOH HOH A . N 6 HOH 372 972 372 HOH HOH A . N 6 HOH 373 973 373 HOH HOH A . N 6 HOH 374 974 374 HOH HOH A . N 6 HOH 375 975 375 HOH HOH A . N 6 HOH 376 976 376 HOH HOH A . N 6 HOH 377 977 377 HOH HOH A . N 6 HOH 378 978 378 HOH HOH A . N 6 HOH 379 979 379 HOH HOH A . N 6 HOH 380 980 380 HOH HOH A . N 6 HOH 381 981 381 HOH HOH A . N 6 HOH 382 982 382 HOH HOH A . N 6 HOH 383 983 383 HOH HOH A . N 6 HOH 384 984 384 HOH HOH A . N 6 HOH 385 985 385 HOH HOH A . N 6 HOH 386 986 386 HOH HOH A . N 6 HOH 387 987 387 HOH HOH A . N 6 HOH 388 988 388 HOH HOH A . N 6 HOH 389 989 389 HOH HOH A . N 6 HOH 390 990 390 HOH HOH A . N 6 HOH 391 991 391 HOH HOH A . N 6 HOH 392 992 392 HOH HOH A . N 6 HOH 393 993 393 HOH HOH A . N 6 HOH 394 994 394 HOH HOH A . N 6 HOH 395 995 395 HOH HOH A . N 6 HOH 396 996 396 HOH HOH A . N 6 HOH 397 997 397 HOH HOH A . N 6 HOH 398 998 398 HOH HOH A . N 6 HOH 399 999 399 HOH HOH A . N 6 HOH 400 1000 400 HOH HOH A . N 6 HOH 401 1001 401 HOH HOH A . N 6 HOH 402 1002 402 HOH HOH A . N 6 HOH 403 1003 403 HOH HOH A . N 6 HOH 404 1004 404 HOH HOH A . N 6 HOH 405 1005 405 HOH HOH A . N 6 HOH 406 1006 406 HOH HOH A . N 6 HOH 407 1007 407 HOH HOH A . N 6 HOH 408 1008 408 HOH HOH A . N 6 HOH 409 1009 409 HOH HOH A . N 6 HOH 410 1010 410 HOH HOH A . N 6 HOH 411 1011 411 HOH HOH A . N 6 HOH 412 1012 412 HOH HOH A . N 6 HOH 413 1013 413 HOH HOH A . N 6 HOH 414 1014 414 HOH HOH A . N 6 HOH 415 1015 415 HOH HOH A . N 6 HOH 416 1016 416 HOH HOH A . N 6 HOH 417 1017 417 HOH HOH A . N 6 HOH 418 1018 418 HOH HOH A . N 6 HOH 419 1019 419 HOH HOH A . N 6 HOH 420 1020 420 HOH HOH A . N 6 HOH 421 1021 421 HOH HOH A . N 6 HOH 422 1022 422 HOH HOH A . N 6 HOH 423 1023 423 HOH HOH A . N 6 HOH 424 1024 424 HOH HOH A . N 6 HOH 425 1025 425 HOH HOH A . N 6 HOH 426 1026 426 HOH HOH A . N 6 HOH 427 1027 427 HOH HOH A . N 6 HOH 428 1028 428 HOH HOH A . N 6 HOH 429 1029 429 HOH HOH A . N 6 HOH 430 1030 430 HOH HOH A . N 6 HOH 431 1031 431 HOH HOH A . N 6 HOH 432 1032 432 HOH HOH A . N 6 HOH 433 1033 433 HOH HOH A . N 6 HOH 434 1034 434 HOH HOH A . N 6 HOH 435 1035 435 HOH HOH A . N 6 HOH 436 1036 436 HOH HOH A . N 6 HOH 437 1037 437 HOH HOH A . N 6 HOH 438 1038 438 HOH HOH A . N 6 HOH 439 1039 439 HOH HOH A . N 6 HOH 440 1040 440 HOH HOH A . N 6 HOH 441 1041 441 HOH HOH A . N 6 HOH 442 1042 442 HOH HOH A . N 6 HOH 443 1043 443 HOH HOH A . N 6 HOH 444 1044 444 HOH HOH A . N 6 HOH 445 1045 445 HOH HOH A . N 6 HOH 446 1046 446 HOH HOH A . N 6 HOH 447 1047 447 HOH HOH A . N 6 HOH 448 1048 448 HOH HOH A . N 6 HOH 449 1049 449 HOH HOH A . N 6 HOH 450 1050 450 HOH HOH A . N 6 HOH 451 1051 451 HOH HOH A . N 6 HOH 452 1052 452 HOH HOH A . N 6 HOH 453 1053 453 HOH HOH A . N 6 HOH 454 1054 454 HOH HOH A . N 6 HOH 455 1055 455 HOH HOH A . N 6 HOH 456 1056 456 HOH HOH A . N 6 HOH 457 1057 457 HOH HOH A . N 6 HOH 458 1058 458 HOH HOH A . N 6 HOH 459 1059 459 HOH HOH A . N 6 HOH 460 1060 461 HOH HOH A . N 6 HOH 461 1061 462 HOH HOH A . N 6 HOH 462 1062 463 HOH HOH A . N 6 HOH 463 1063 464 HOH HOH A . N 6 HOH 464 1064 465 HOH HOH A . N 6 HOH 465 1065 466 HOH HOH A . N 6 HOH 466 1066 467 HOH HOH A . N 6 HOH 467 1067 468 HOH HOH A . N 6 HOH 468 1068 469 HOH HOH A . N 6 HOH 469 1069 470 HOH HOH A . N 6 HOH 470 1070 471 HOH HOH A . N 6 HOH 471 1071 472 HOH HOH A . N 6 HOH 472 1072 473 HOH HOH A . N 6 HOH 473 1073 474 HOH HOH A . N 6 HOH 474 1074 475 HOH HOH A . N 6 HOH 475 1075 476 HOH HOH A . N 6 HOH 476 1076 477 HOH HOH A . N 6 HOH 477 1077 478 HOH HOH A . N 6 HOH 478 1078 479 HOH HOH A . N 6 HOH 479 1079 480 HOH HOH A . N 6 HOH 480 1080 481 HOH HOH A . N 6 HOH 481 1081 482 HOH HOH A . N 6 HOH 482 1082 483 HOH HOH A . N 6 HOH 483 1083 484 HOH HOH A . N 6 HOH 484 1084 485 HOH HOH A . N 6 HOH 485 1085 486 HOH HOH A . N 6 HOH 486 1086 487 HOH HOH A . N 6 HOH 487 1087 488 HOH HOH A . N 6 HOH 488 1088 489 HOH HOH A . N 6 HOH 489 1089 490 HOH HOH A . N 6 HOH 490 1090 491 HOH HOH A . N 6 HOH 491 1091 492 HOH HOH A . N 6 HOH 492 1092 493 HOH HOH A . N 6 HOH 493 1093 494 HOH HOH A . N 6 HOH 494 1094 495 HOH HOH A . N 6 HOH 495 1095 496 HOH HOH A . N 6 HOH 496 1096 497 HOH HOH A . N 6 HOH 497 1097 498 HOH HOH A . N 6 HOH 498 1098 499 HOH HOH A . N 6 HOH 499 1099 500 HOH HOH A . N 6 HOH 500 1100 501 HOH HOH A . N 6 HOH 501 1101 502 HOH HOH A . N 6 HOH 502 1102 503 HOH HOH A . N 6 HOH 503 1103 504 HOH HOH A . N 6 HOH 504 1104 505 HOH HOH A . N 6 HOH 505 1105 506 HOH HOH A . N 6 HOH 506 1106 507 HOH HOH A . N 6 HOH 507 1107 508 HOH HOH A . N 6 HOH 508 1108 509 HOH HOH A . N 6 HOH 509 1109 510 HOH HOH A . N 6 HOH 510 1110 511 HOH HOH A . N 6 HOH 511 1111 512 HOH HOH A . N 6 HOH 512 1112 513 HOH HOH A . N 6 HOH 513 1113 514 HOH HOH A . N 6 HOH 514 1114 515 HOH HOH A . N 6 HOH 515 1115 516 HOH HOH A . N 6 HOH 516 1116 517 HOH HOH A . N 6 HOH 517 1117 518 HOH HOH A . N 6 HOH 518 1118 519 HOH HOH A . N 6 HOH 519 1119 520 HOH HOH A . N 6 HOH 520 1120 521 HOH HOH A . N 6 HOH 521 1121 522 HOH HOH A . N 6 HOH 522 1122 523 HOH HOH A . N 6 HOH 523 1123 524 HOH HOH A . N 6 HOH 524 1124 525 HOH HOH A . N 6 HOH 525 1125 526 HOH HOH A . N 6 HOH 526 1126 527 HOH HOH A . N 6 HOH 527 1127 528 HOH HOH A . N 6 HOH 528 1128 529 HOH HOH A . N 6 HOH 529 1129 530 HOH HOH A . N 6 HOH 530 1130 531 HOH HOH A . N 6 HOH 531 1131 532 HOH HOH A . N 6 HOH 532 1132 533 HOH HOH A . N 6 HOH 533 1133 534 HOH HOH A . N 6 HOH 534 1134 535 HOH HOH A . N 6 HOH 535 1135 536 HOH HOH A . N 6 HOH 536 1136 537 HOH HOH A . N 6 HOH 537 1137 538 HOH HOH A . N 6 HOH 538 1138 539 HOH HOH A . N 6 HOH 539 1139 540 HOH HOH A . N 6 HOH 540 1140 541 HOH HOH A . N 6 HOH 541 1141 542 HOH HOH A . N 6 HOH 542 1142 543 HOH HOH A . N 6 HOH 543 1143 544 HOH HOH A . N 6 HOH 544 1144 545 HOH HOH A . N 6 HOH 545 1145 546 HOH HOH A . N 6 HOH 546 1146 547 HOH HOH A . N 6 HOH 547 1147 548 HOH HOH A . N 6 HOH 548 1148 549 HOH HOH A . N 6 HOH 549 1149 550 HOH HOH A . N 6 HOH 550 1150 551 HOH HOH A . N 6 HOH 551 1151 552 HOH HOH A . N 6 HOH 552 1152 553 HOH HOH A . N 6 HOH 553 1153 554 HOH HOH A . N 6 HOH 554 1154 555 HOH HOH A . N 6 HOH 555 1155 556 HOH HOH A . N 6 HOH 556 1156 557 HOH HOH A . N 6 HOH 557 1157 558 HOH HOH A . N 6 HOH 558 1158 559 HOH HOH A . N 6 HOH 559 1159 560 HOH HOH A . N 6 HOH 560 1160 561 HOH HOH A . N 6 HOH 561 1161 562 HOH HOH A . N 6 HOH 562 1162 563 HOH HOH A . N 6 HOH 563 1163 564 HOH HOH A . N 6 HOH 564 1164 565 HOH HOH A . N 6 HOH 565 1165 566 HOH HOH A . N 6 HOH 566 1166 567 HOH HOH A . N 6 HOH 567 1167 568 HOH HOH A . N 6 HOH 568 1168 569 HOH HOH A . N 6 HOH 569 1169 570 HOH HOH A . N 6 HOH 570 1170 571 HOH HOH A . N 6 HOH 571 1171 572 HOH HOH A . N 6 HOH 572 1172 573 HOH HOH A . N 6 HOH 573 1173 574 HOH HOH A . N 6 HOH 574 1174 575 HOH HOH A . N 6 HOH 575 1175 576 HOH HOH A . N 6 HOH 576 1176 577 HOH HOH A . N 6 HOH 577 1177 578 HOH HOH A . N 6 HOH 578 1178 579 HOH HOH A . N 6 HOH 579 1179 580 HOH HOH A . N 6 HOH 580 1180 581 HOH HOH A . N 6 HOH 581 1181 582 HOH HOH A . N 6 HOH 582 1182 583 HOH HOH A . N 6 HOH 583 1183 584 HOH HOH A . N 6 HOH 584 1184 585 HOH HOH A . N 6 HOH 585 1185 586 HOH HOH A . N 6 HOH 586 1186 587 HOH HOH A . N 6 HOH 587 1187 588 HOH HOH A . N 6 HOH 588 1188 589 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 5 A ASN 87 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 65 A ASN 147 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 120 A ASN 202 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3,4 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # 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)' 25870 ? 1 MORE 89 ? 1 'SSA (A^2)' 46900 ? # 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' 3_555 -x,y,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 3 'crystal symmetry operation' 21_555 z,y,-x 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 4 'crystal symmetry operation' 23_555 -z,y,x 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 696 ? N HOH . 2 1 A HOH 775 ? N HOH . 3 1 A HOH 997 ? N HOH . 4 1 A HOH 999 ? N HOH . 5 1 A HOH 1049 ? N HOH . 6 1 A HOH 1188 ? N HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD2 ? A ASP 244 ? A ASP 326 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? N HOH . ? A HOH 633 ? 1_555 90.4 ? 2 OD2 ? A ASP 244 ? A ASP 326 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASP 213 ? A ASP 295 ? 1_555 93.0 ? 3 O ? N HOH . ? A HOH 633 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASP 213 ? A ASP 295 ? 1_555 165.2 ? 4 OD2 ? A ASP 244 ? A ASP 326 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? N HOH . ? A HOH 635 ? 1_555 173.9 ? 5 O ? N HOH . ? A HOH 633 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? N HOH . ? A HOH 635 ? 1_555 85.6 ? 6 O ? A ASP 213 ? A ASP 295 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? N HOH . ? A HOH 635 ? 1_555 89.7 ? 7 OD2 ? A ASP 244 ? A ASP 326 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A GLY 217 ? A GLY 299 ? 1_555 92.9 ? 8 O ? N HOH . ? A HOH 633 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A GLY 217 ? A GLY 299 ? 1_555 88.2 ? 9 O ? A ASP 213 ? A ASP 295 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A GLY 217 ? A GLY 299 ? 1_555 77.3 ? 10 O ? N HOH . ? A HOH 635 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A GLY 217 ? A GLY 299 ? 1_555 82.4 ? 11 OD2 ? A ASP 244 ? A ASP 326 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASN 266 ? A ASN 348 ? 1_555 110.3 ? 12 O ? N HOH . ? A HOH 633 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASN 266 ? A ASN 348 ? 1_555 95.4 ? 13 O ? A ASP 213 ? A ASP 295 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASN 266 ? A ASN 348 ? 1_555 96.9 ? 14 O ? N HOH . ? A HOH 635 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASN 266 ? A ASN 348 ? 1_555 74.7 ? 15 O ? A GLY 217 ? A GLY 299 ? 1_555 CA ? M CA . ? A CA 512 ? 1_555 O ? A ASN 266 ? A ASN 348 ? 1_555 156.5 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-11-20 2 'Structure model' 1 1 2013-12-18 3 'Structure model' 1 2 2015-10-21 4 'Structure model' 1 3 2017-11-15 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' 3 3 'Structure model' 'Source and taxonomy' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 19.9691 _pdbx_refine_tls.origin_y -54.5976 _pdbx_refine_tls.origin_z -20.0356 _pdbx_refine_tls.T[1][1] 0.0195 _pdbx_refine_tls.T[2][2] 0.0251 _pdbx_refine_tls.T[3][3] 0.0266 _pdbx_refine_tls.T[1][2] -0.0006 _pdbx_refine_tls.T[1][3] 0.0058 _pdbx_refine_tls.T[2][3] 0.0045 _pdbx_refine_tls.L[1][1] 0.2252 _pdbx_refine_tls.L[2][2] 0.0807 _pdbx_refine_tls.L[3][3] 0.1854 _pdbx_refine_tls.L[1][2] 0.0077 _pdbx_refine_tls.L[1][3] -0.0120 _pdbx_refine_tls.L[2][3] -0.0213 _pdbx_refine_tls.S[1][1] 0.0044 _pdbx_refine_tls.S[1][2] 0.0362 _pdbx_refine_tls.S[1][3] 0.0167 _pdbx_refine_tls.S[2][1] -0.0162 _pdbx_refine_tls.S[2][2] -0.0133 _pdbx_refine_tls.S[2][3] -0.0184 _pdbx_refine_tls.S[3][1] -0.0006 _pdbx_refine_tls.S[3][2] 0.0321 _pdbx_refine_tls.S[3][3] -0.0008 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details ALL # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 PHENIX refinement '(phenix.refine: 1.7.3_928)' ? 2 HKL-2000 'data reduction' . ? 3 HKL-2000 'data scaling' . ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A HOH 1101 ? ? O A HOH 1109 ? ? 1.83 2 1 O A HOH 705 ? ? O A HOH 903 ? ? 1.92 3 1 O A HOH 1119 ? ? O A HOH 1173 ? ? 2.09 4 1 O A HOH 994 ? ? O A HOH 1157 ? ? 2.12 5 1 O A HOH 961 ? ? O A HOH 1066 ? ? 2.14 6 1 O A HOH 1054 ? ? O A HOH 1131 ? ? 2.18 # 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 97 ? ? -172.73 -176.71 2 1 SER A 112 ? ? -141.88 32.75 3 1 SER A 112 ? ? -141.88 30.36 4 1 SER A 165 ? ? 69.84 -4.70 5 1 SER A 165 ? ? 69.84 -5.69 6 1 ASN A 202 ? ? -157.05 37.76 7 1 THR A 227 ? ? -137.97 -155.75 8 1 LYS A 266 ? ? -174.59 149.94 9 1 CYS A 293 ? ? -118.60 -167.32 10 1 TRP A 297 ? ? -88.82 -79.12 11 1 GLN A 317 ? ? -160.67 -157.46 12 1 ASP A 357 ? ? -153.43 56.06 13 1 SER A 404 ? ? -112.99 -134.81 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'CALCIUM ION' CA 6 water HOH #