data_3SAN # _entry.id 3SAN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3SAN RCSB RCSB065970 WWPDB D_1000065970 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3NSS 'structure of 09N1 neuraminidase' unspecified PDB 3SAL . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3SAN _pdbx_database_status.recvd_initial_deposition_date 2011-06-03 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _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 'Wang, M.Y.' 1 'Qi, J.X.' 2 'Liu, Y.' 3 'Vavricka, C.J.' 4 'Wu, Y.' 5 'Li, Q.' 6 'Gao, G.F.' 7 # _citation.id primary _citation.title 'Influenza a virus n5 neuraminidase has an extended 150-cavity' _citation.journal_abbrev J.Virol. _citation.journal_volume 85 _citation.page_first 8431 _citation.page_last 8435 _citation.year 2011 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21653672 _citation.pdbx_database_id_DOI 10.1128/JVI.00638-11 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wang, M.Y.' 1 primary 'Qi, J.X.' 2 primary 'Liu, Y.' 3 primary 'Vavricka, C.J.' 4 primary 'Wu, Y.' 5 primary 'Li, Q.' 6 primary 'Gao, G.F.' 7 # _cell.entry_id 3SAN _cell.length_a 112.110 _cell.length_b 112.110 _cell.length_c 66.767 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3SAN _symmetry.space_group_name_H-M 'P 4' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 75 _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 43531.934 2 3.2.1.18 ? 'UNP residues 79-473' ? 2 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer syn ZANAMIVIR 332.310 2 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 4 ? ? ? ? 6 water nat water 18.015 1102 ? ? ? ? # _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 ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _entity_poly.pdbx_seq_one_letter_code_can ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 GLU n 1 3 PHE n 1 4 LEU n 1 5 ASN n 1 6 ASN n 1 7 THR n 1 8 GLU n 1 9 PRO n 1 10 LEU n 1 11 CYS n 1 12 ASN n 1 13 VAL n 1 14 SER n 1 15 GLY n 1 16 PHE n 1 17 ALA n 1 18 ILE n 1 19 VAL n 1 20 SER n 1 21 LYS n 1 22 ASP n 1 23 ASN n 1 24 GLY n 1 25 ILE n 1 26 ARG n 1 27 ILE n 1 28 GLY n 1 29 SER n 1 30 ARG n 1 31 GLY n 1 32 HIS n 1 33 VAL n 1 34 PHE n 1 35 VAL n 1 36 ILE n 1 37 ARG n 1 38 GLU n 1 39 PRO n 1 40 PHE n 1 41 VAL n 1 42 ALA n 1 43 CYS n 1 44 GLY n 1 45 PRO n 1 46 THR n 1 47 GLU n 1 48 CYS n 1 49 ARG n 1 50 THR n 1 51 PHE n 1 52 PHE n 1 53 LEU n 1 54 THR n 1 55 GLN n 1 56 GLY n 1 57 ALA n 1 58 LEU n 1 59 LEU n 1 60 ASN n 1 61 ASP n 1 62 LYS n 1 63 HIS n 1 64 SER n 1 65 ASN n 1 66 ASN n 1 67 THR n 1 68 VAL n 1 69 LYS n 1 70 ASP n 1 71 ARG n 1 72 SER n 1 73 PRO n 1 74 TYR n 1 75 ARG n 1 76 ALA n 1 77 LEU n 1 78 MET n 1 79 SER n 1 80 VAL n 1 81 PRO n 1 82 LEU n 1 83 GLY n 1 84 SER n 1 85 SER n 1 86 PRO n 1 87 ASN n 1 88 ALA n 1 89 TYR n 1 90 GLN n 1 91 ALA n 1 92 LYS n 1 93 PHE n 1 94 GLU n 1 95 SER n 1 96 VAL n 1 97 ALA n 1 98 TRP n 1 99 SER n 1 100 ALA n 1 101 THR n 1 102 ALA n 1 103 CYS n 1 104 HIS n 1 105 ASP n 1 106 GLY n 1 107 LYS n 1 108 LYS n 1 109 TRP n 1 110 LEU n 1 111 ALA n 1 112 VAL n 1 113 GLY n 1 114 ILE n 1 115 SER n 1 116 GLY n 1 117 ALA n 1 118 ASP n 1 119 ASP n 1 120 ASP n 1 121 ALA n 1 122 TYR n 1 123 ALA n 1 124 VAL n 1 125 ILE n 1 126 HIS n 1 127 TYR n 1 128 GLY n 1 129 GLY n 1 130 MET n 1 131 PRO n 1 132 THR n 1 133 ASP n 1 134 VAL n 1 135 VAL n 1 136 ARG n 1 137 SER n 1 138 TRP n 1 139 ARG n 1 140 LYS n 1 141 GLN 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 SER n 1 150 CYS n 1 151 VAL n 1 152 CYS n 1 153 MET n 1 154 ASN n 1 155 GLY n 1 156 ASN n 1 157 CYS n 1 158 TYR n 1 159 TRP n 1 160 VAL n 1 161 MET n 1 162 THR n 1 163 ASP n 1 164 GLY n 1 165 PRO n 1 166 ALA n 1 167 ASN n 1 168 SER n 1 169 GLN n 1 170 ALA n 1 171 SER n 1 172 TYR n 1 173 LYS n 1 174 ILE n 1 175 PHE n 1 176 LYS n 1 177 SER n 1 178 HIS n 1 179 GLU n 1 180 GLY n 1 181 MET n 1 182 VAL n 1 183 THR n 1 184 ASN n 1 185 GLU n 1 186 ARG n 1 187 GLU n 1 188 VAL n 1 189 SER n 1 190 PHE n 1 191 GLN n 1 192 GLY n 1 193 GLY 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 PRO n 1 203 ASN n 1 204 LEU n 1 205 GLY n 1 206 LYS n 1 207 VAL n 1 208 GLU n 1 209 CYS n 1 210 VAL n 1 211 CYS n 1 212 ARG n 1 213 ASP n 1 214 ASN n 1 215 TRP n 1 216 ASN n 1 217 GLY n 1 218 MET n 1 219 ASN n 1 220 ARG n 1 221 PRO n 1 222 ILE n 1 223 LEU n 1 224 ILE n 1 225 PHE n 1 226 ASP n 1 227 GLU n 1 228 ASP n 1 229 LEU n 1 230 ASP n 1 231 TYR n 1 232 GLU n 1 233 VAL n 1 234 GLY n 1 235 TYR n 1 236 LEU n 1 237 CYS n 1 238 ALA n 1 239 GLY n 1 240 ILE n 1 241 PRO n 1 242 THR n 1 243 ASP n 1 244 THR n 1 245 PRO n 1 246 ARG n 1 247 VAL n 1 248 GLN n 1 249 ASP n 1 250 SER n 1 251 SER n 1 252 PHE n 1 253 THR n 1 254 GLY n 1 255 SER n 1 256 CYS n 1 257 THR n 1 258 ASN n 1 259 ALA n 1 260 VAL n 1 261 GLY n 1 262 GLY n 1 263 SER n 1 264 GLY n 1 265 THR n 1 266 ASN n 1 267 ASN n 1 268 TYR n 1 269 GLY n 1 270 VAL n 1 271 LYS n 1 272 GLY n 1 273 PHE n 1 274 GLY n 1 275 PHE n 1 276 ARG n 1 277 GLN n 1 278 GLY n 1 279 ASN n 1 280 SER n 1 281 VAL n 1 282 TRP n 1 283 ALA n 1 284 GLY n 1 285 ARG n 1 286 THR n 1 287 VAL n 1 288 SER n 1 289 ILE n 1 290 SER n 1 291 SER n 1 292 ARG n 1 293 SER n 1 294 GLY n 1 295 PHE n 1 296 GLU n 1 297 ILE n 1 298 LEU n 1 299 LEU n 1 300 ILE n 1 301 GLU n 1 302 ASP n 1 303 GLY n 1 304 TRP n 1 305 ILE n 1 306 ARG n 1 307 THR n 1 308 SER n 1 309 LYS n 1 310 THR n 1 311 ILE n 1 312 VAL n 1 313 LYS n 1 314 LYS n 1 315 VAL n 1 316 GLU n 1 317 VAL n 1 318 LEU n 1 319 ASN n 1 320 ASN n 1 321 LYS n 1 322 ASN n 1 323 TRP n 1 324 SER n 1 325 GLY n 1 326 TYR n 1 327 SER n 1 328 GLY n 1 329 ALA n 1 330 PHE n 1 331 THR n 1 332 ILE n 1 333 PRO n 1 334 ILE n 1 335 THR n 1 336 MET n 1 337 THR n 1 338 SER n 1 339 LYS n 1 340 GLN n 1 341 CYS n 1 342 LEU n 1 343 VAL n 1 344 PRO n 1 345 CYS n 1 346 PHE n 1 347 TRP n 1 348 LEU n 1 349 GLU n 1 350 MET n 1 351 ILE n 1 352 ARG n 1 353 GLY n 1 354 LYS n 1 355 PRO n 1 356 GLU n 1 357 GLU n 1 358 ARG n 1 359 THR n 1 360 SER n 1 361 ILE n 1 362 TRP n 1 363 THR n 1 364 SER n 1 365 SER n 1 366 SER n 1 367 SER n 1 368 THR n 1 369 VAL n 1 370 PHE n 1 371 CYS n 1 372 GLY n 1 373 VAL n 1 374 SER n 1 375 SER n 1 376 GLU n 1 377 VAL n 1 378 PRO n 1 379 GLY n 1 380 TRP n 1 381 SER n 1 382 TRP n 1 383 ASP n 1 384 ASP n 1 385 GLY n 1 386 ALA n 1 387 ILE n 1 388 LEU n 1 389 PRO n 1 390 PHE n 1 391 ASP n 1 392 ILE n 1 393 ASP n 1 394 LYS n 1 395 MET 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/duck/Alberta/60/1976(H12N5)' _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 385582 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line SF9 _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 pFastBac1 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A1ILL9_I76A2 _struct_ref.pdbx_db_accession A1ILL9 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _struct_ref.pdbx_align_begin 79 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3SAN A 1 ? 395 ? A1ILL9 79 ? 473 ? 82 471 2 1 3SAN B 1 ? 395 ? A1ILL9 79 ? 473 ? 82 471 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZMR non-polymer . ZANAMIVIR 'MODIFIED SIALIC ACID' 'C12 H20 N4 O7' 332.310 # _exptl.entry_id 3SAN _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.41 _exptl_crystal.density_percent_sol 48.95 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '0.1M HEPES (pH 7.5), 12% w/v Polyethylene glycol 3350 , VAPOR DIFFUSION, HANGING 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 270' _diffrn_detector.pdbx_collection_date 2010-12-11 _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 0.98 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'PHOTON FACTORY BEAMLINE AR-NE3A' _diffrn_source.pdbx_synchrotron_site 'Photon Factory' _diffrn_source.pdbx_synchrotron_beamline AR-NE3A _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.98 # _reflns.entry_id 3SAN _reflns.observed_criterion_sigma_I 2 _reflns.observed_criterion_sigma_F 2 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.6 _reflns.number_obs 109012 _reflns.number_all ? _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.60 _reflns_shell.d_res_low 1.66 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3SAN _refine.ls_number_reflns_obs 105577 _refine.ls_number_reflns_all 109012 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 35.452 _refine.ls_d_res_high 1.600 _refine.ls_percent_reflns_obs 96.75 _refine.ls_R_factor_obs 0.1223 _refine.ls_R_factor_all 0.1223 _refine.ls_R_factor_R_work 0.1205 _refine.ls_R_factor_R_free 0.1572 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.01 _refine.ls_number_reflns_R_free 5287 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 16.4210 _refine.aniso_B[1][1] -0.6945 _refine.aniso_B[2][2] -0.6945 _refine.aniso_B[3][3] 1.3891 _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 0.336 _refine.solvent_model_param_bsol 37.170 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 3NSS' _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_Free ? _refine.overall_SU_ML 0.16 _refine.pdbx_overall_phase_error 13.21 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_work_R_set 0.9326 _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_ESU_R ? _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 6084 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 156 _refine_hist.number_atoms_solvent 1102 _refine_hist.number_atoms_total 7342 _refine_hist.d_res_high 1.600 _refine_hist.d_res_low 35.452 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 0.005 ? ? 6491 ? 'X-RAY DIFFRACTION' f_angle_d 1.040 ? ? 8801 ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 22.729 ? ? 2374 ? 'X-RAY DIFFRACTION' f_chiral_restr 0.074 ? ? 965 ? 'X-RAY DIFFRACTION' f_plane_restr 0.005 ? ? 1124 ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs 'X-RAY DIFFRACTION' . 1.6005 1.6186 3101 0.1253 91.00 0.1908 . . 169 . . . . 'X-RAY DIFFRACTION' . 1.6186 1.6377 3116 0.1215 91.00 0.1778 . . 189 . . . . 'X-RAY DIFFRACTION' . 1.6377 1.6577 3190 0.1105 93.00 0.1655 . . 161 . . . . 'X-RAY DIFFRACTION' . 1.6577 1.6786 3178 0.1082 93.00 0.1574 . . 167 . . . . 'X-RAY DIFFRACTION' . 1.6786 1.7007 3230 0.1070 93.00 0.1631 . . 171 . . . . 'X-RAY DIFFRACTION' . 1.7007 1.7240 3197 0.1118 94.00 0.1692 . . 201 . . . . 'X-RAY DIFFRACTION' . 1.7240 1.7487 3226 0.1074 95.00 0.1799 . . 186 . . . . 'X-RAY DIFFRACTION' . 1.7487 1.7748 3284 0.1015 95.00 0.1522 . . 172 . . . . 'X-RAY DIFFRACTION' . 1.7748 1.8025 3305 0.0959 96.00 0.1522 . . 157 . . . . 'X-RAY DIFFRACTION' . 1.8025 1.8320 3284 0.0969 96.00 0.1587 . . 185 . . . . 'X-RAY DIFFRACTION' . 1.8320 1.8636 3337 0.0963 97.00 0.1356 . . 168 . . . . 'X-RAY DIFFRACTION' . 1.8636 1.8975 3342 0.1056 96.00 0.1619 . . 158 . . . . 'X-RAY DIFFRACTION' . 1.8975 1.9340 3246 0.1160 94.00 0.1612 . . 175 . . . . 'X-RAY DIFFRACTION' . 1.9340 1.9735 3375 0.1011 97.00 0.1424 . . 143 . . . . 'X-RAY DIFFRACTION' . 1.9735 2.0164 3383 0.1011 98.00 0.1454 . . 160 . . . . 'X-RAY DIFFRACTION' . 2.0164 2.0633 3336 0.1049 98.00 0.1442 . . 178 . . . . 'X-RAY DIFFRACTION' . 2.0633 2.1149 3424 0.1056 98.00 0.1521 . . 160 . . . . 'X-RAY DIFFRACTION' . 2.1149 2.1721 3411 0.1074 99.00 0.1599 . . 174 . . . . 'X-RAY DIFFRACTION' . 2.1721 2.2360 3391 0.1091 98.00 0.1603 . . 169 . . . . 'X-RAY DIFFRACTION' . 2.2360 2.3081 3335 0.1184 98.00 0.1629 . . 188 . . . . 'X-RAY DIFFRACTION' . 2.3081 2.3906 3425 0.1166 99.00 0.1518 . . 205 . . . . 'X-RAY DIFFRACTION' . 2.3906 2.4863 3418 0.1225 99.00 0.1722 . . 178 . . . . 'X-RAY DIFFRACTION' . 2.4863 2.5994 3430 0.1266 99.00 0.1698 . . 189 . . . . 'X-RAY DIFFRACTION' . 2.5994 2.7364 3413 0.1325 99.00 0.1646 . . 192 . . . . 'X-RAY DIFFRACTION' . 2.7364 2.9078 3464 0.1220 100.00 0.1527 . . 186 . . . . 'X-RAY DIFFRACTION' . 2.9078 3.1322 3462 0.1247 100.00 0.1350 . . 178 . . . . 'X-RAY DIFFRACTION' . 3.1322 3.4471 3467 0.1209 100.00 0.1463 . . 191 . . . . 'X-RAY DIFFRACTION' . 3.4471 3.9454 3487 0.1158 100.00 0.1274 . . 166 . . . . 'X-RAY DIFFRACTION' . 3.9454 4.9686 3496 0.1136 100.00 0.1379 . . 175 . . . . 'X-RAY DIFFRACTION' . 4.9686 35.4610 3537 0.1610 99.00 0.1790 . . 196 . . . . # _struct.entry_id 3SAN _struct.title 'Crystal structure of influenza A virus neuraminidase N5 complexed with Zanamivir' _struct.pdbx_descriptor 'Neuraminidase (E.C.3.2.1.18)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SAN _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text '6-BLADED BETA-PROPELLER, HYDROLASE, CALCIUM BINDING, GLYCOSYLATION, HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 2 ? K N N 3 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 5 ? P N N 5 ? Q N N 6 ? R 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 ? GLY A 28 ? ASN A 104 GLY A 109 1 ? 6 HELX_P HELX_P2 2 ASP A 61 ? ASN A 65 ? ASP A 142 ASN A 146 5 ? 5 HELX_P HELX_P3 3 GLN A 248 ? PHE A 252 ? GLN A 329 PHE A 333 5 ? 5 HELX_P HELX_P4 4 PRO A 333 ? SER A 338 ? PRO A 413 SER A 414 1 ? 6 HELX_P HELX_P5 5 PHE A 390 ? LYS A 394 ? PHE A 466 LYS A 470 5 ? 5 HELX_P HELX_P6 6 ASN B 23 ? GLY B 28 ? ASN B 104 GLY B 109 1 ? 6 HELX_P HELX_P7 7 ASP B 61 ? ASN B 65 ? ASP B 142 ASN B 146 5 ? 5 HELX_P HELX_P8 8 GLN B 248 ? PHE B 252 ? GLN B 329 PHE B 333 5 ? 5 HELX_P HELX_P9 9 PRO B 333 ? SER B 338 ? PRO B 413 SER B 414 1 ? 6 HELX_P HELX_P10 10 PHE B 390 ? LYS B 394 ? PHE B 466 LYS B 470 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 341 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.033 ? disulf3 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.038 ? disulf4 disulf ? ? A CYS 152 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.055 ? disulf5 disulf ? ? A CYS 198 SG ? ? ? 1_555 A CYS 211 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.069 ? disulf6 disulf ? ? A CYS 200 SG ? ? ? 1_555 A CYS 209 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.046 ? disulf7 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 256 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.043 ? disulf8 disulf ? ? A CYS 345 SG ? ? ? 1_555 A CYS 371 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.047 ? disulf9 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 341 SG ? ? B CYS 92 B CYS 417 1_555 ? ? ? ? ? ? ? 2.042 ? disulf10 disulf ? ? B CYS 43 SG ? ? ? 1_555 B CYS 48 SG ? ? B CYS 124 B CYS 129 1_555 ? ? ? ? ? ? ? 2.032 ? disulf11 disulf ? ? B CYS 103 SG ? ? ? 1_555 B CYS 150 SG ? ? B CYS 183 B CYS 230 1_555 ? ? ? ? ? ? ? 2.035 ? disulf12 disulf ? ? B CYS 152 SG ? ? ? 1_555 B CYS 157 SG ? ? B CYS 232 B CYS 237 1_555 ? ? ? ? ? ? ? 2.047 ? disulf13 disulf ? ? B CYS 198 SG ? ? ? 1_555 B CYS 211 SG ? ? B CYS 278 B CYS 291 1_555 ? ? ? ? ? ? ? 2.072 ? disulf14 disulf ? ? B CYS 200 SG ? ? ? 1_555 B CYS 209 SG ? ? B CYS 280 B CYS 289 1_555 ? ? ? ? ? ? ? 2.053 ? disulf15 disulf ? ? B CYS 237 SG ? ? ? 1_555 B CYS 256 SG ? ? B CYS 318 B CYS 337 1_555 ? ? ? ? ? ? ? 2.048 ? disulf16 disulf ? ? B CYS 345 SG ? ? ? 1_555 B CYS 371 SG ? ? B CYS 421 B CYS 447 1_555 ? ? ? ? ? ? ? 2.037 ? covale1 covale ? ? B ASN 65 ND2 ? ? ? 1_555 M NAG . C1 ? ? B ASN 146 B NAG 803 1_555 ? ? ? ? ? ? ? 1.436 ? covale2 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 801 A NAG 802 1_555 ? ? ? ? ? ? ? 1.440 ? covale3 covale ? ? B ASN 12 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 93 B NAG 801 1_555 ? ? ? ? ? ? ? 1.440 ? covale4 covale ? ? A ASN 12 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 93 A NAG 801 1_555 ? ? ? ? ? ? ? 1.440 ? covale5 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? B NAG 801 B NAG 802 1_555 ? ? ? ? ? ? ? 1.440 ? covale6 covale ? ? A ASN 65 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 146 A NAG 803 1_555 ? ? ? ? ? ? ? 1.441 ? metalc1 metalc ? ? B ASP 213 O ? ? ? 1_555 J CA . CA ? ? B ASP 293 B CA 601 1_555 ? ? ? ? ? ? ? 2.341 ? metalc2 metalc ? ? B ASP 243 OD2 ? ? ? 1_555 J CA . CA ? ? B ASP 324 B CA 601 1_555 ? ? ? ? ? ? ? 2.356 ? metalc3 metalc ? ? A ASP 213 O ? ? ? 1_555 C CA . CA ? ? A ASP 293 A CA 601 1_555 ? ? ? ? ? ? ? 2.363 ? metalc4 metalc ? ? A ASP 243 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 324 A CA 601 1_555 ? ? ? ? ? ? ? 2.378 ? metalc5 metalc ? ? B TYR 268 O ? ? ? 1_555 J CA . CA ? ? B TYR 347 B CA 601 1_555 ? ? ? ? ? ? ? 2.410 ? metalc6 metalc ? ? A TYR 268 O ? ? ? 1_555 C CA . CA ? ? A TYR 347 A CA 601 1_555 ? ? ? ? ? ? ? 2.422 ? metalc7 metalc ? ? A GLY 217 O ? ? ? 1_555 C CA . CA ? ? A GLY 297 A CA 601 1_555 ? ? ? ? ? ? ? 2.423 ? metalc8 metalc ? ? B GLY 217 O ? ? ? 1_555 J CA . CA ? ? B GLY 297 B CA 601 1_555 ? ? ? ? ? ? ? 2.426 ? metalc9 metalc ? ? J CA . CA ? ? ? 1_555 R HOH . O ? ? B CA 601 B HOH 3 1_555 ? ? ? ? ? ? ? 2.442 ? metalc10 metalc ? ? C CA . CA ? ? ? 1_555 Q HOH . O ? ? A CA 601 A HOH 473 1_555 ? ? ? ? ? ? ? 2.447 ? metalc11 metalc ? ? J CA . CA ? ? ? 1_555 R HOH . O ? ? B CA 601 B HOH 43 1_555 ? ? ? ? ? ? ? 2.481 ? metalc12 metalc ? ? C CA . CA ? ? ? 1_555 Q HOH . O ? ? A CA 601 A HOH 4 1_555 ? ? ? ? ? ? ? 2.487 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 244 A . ? THR 325 A PRO 245 A ? PRO 326 A 1 6.02 2 LYS 354 A . ? LYS 430 A PRO 355 A ? PRO 431 A 1 2.97 3 LEU 388 A . ? LEU 464 A PRO 389 A ? PRO 465 A 1 -0.45 4 THR 244 B . ? THR 325 B PRO 245 B ? PRO 326 B 1 4.67 5 LYS 354 B . ? LYS 430 B PRO 355 B ? PRO 431 B 1 2.21 6 LEU 388 B . ? LEU 464 B PRO 389 B ? PRO 465 B 1 0.40 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? H ? 4 ? I ? 4 ? J ? 4 ? K ? 4 ? L ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLY A 15 ? LYS A 21 ? GLY A 96 LYS A 102 A 2 THR A 363 ? VAL A 373 ? THR A 439 VAL A 449 A 3 VAL A 343 ? GLY A 353 ? VAL A 419 GLY A 429 A 4 SER A 327 ? ILE A 332 ? SER A 407 ILE A 412 B 1 PHE A 34 ? CYS A 43 ? PHE A 115 CYS A 124 B 2 CYS A 48 ? LEU A 58 ? CYS A 129 LEU A 139 B 3 ALA A 76 ? PRO A 81 ? ALA A 157 PRO A 162 B 4 LYS A 92 ? VAL A 96 ? LYS A 172 VAL A 176 C 1 SER A 99 ? HIS A 104 ? SER A 179 HIS A 184 C 2 TRP A 109 ? SER A 115 ? TRP A 189 SER A 195 C 3 TYR A 122 ? TYR A 127 ? TYR A 202 TYR A 207 C 4 MET A 130 ? ARG A 136 ? MET A 210 ARG A 216 D 1 VAL A 151 ? MET A 153 ? VAL A 231 MET A 233 D 2 ASN A 156 ? ASP A 163 ? ASN A 236 ASP A 243 D 3 SER A 171 ? HIS A 178 ? SER A 251 HIS A 258 D 4 MET A 181 ? VAL A 188 ? MET A 261 VAL A 268 E 1 GLU A 196 ? ASN A 203 ? GLU A 276 ASN A 283 E 2 LYS A 206 ? ARG A 212 ? LYS A 286 ARG A 292 E 3 PRO A 221 ? PHE A 225 ? PRO A 301 PHE A 305 E 4 TYR A 231 ? TYR A 235 ? TYR A 312 TYR A 316 F 1 GLY A 274 ? GLN A 277 ? GLY A 353 GLN A 356 F 2 SER A 280 ? ARG A 285 ? SER A 359 ARG A 364 F 3 SER A 293 ? ILE A 300 ? SER A 372 ILE A 379 F 4 ILE A 311 ? TRP A 323 ? ILE A 391 TRP A 403 G 1 GLY B 15 ? LYS B 21 ? GLY B 96 LYS B 102 G 2 THR B 363 ? VAL B 373 ? THR B 439 VAL B 449 G 3 VAL B 343 ? GLY B 353 ? VAL B 419 GLY B 429 G 4 SER B 327 ? ILE B 332 ? SER B 407 ILE B 412 H 1 PHE B 34 ? CYS B 43 ? PHE B 115 CYS B 124 H 2 CYS B 48 ? LEU B 58 ? CYS B 129 LEU B 139 H 3 ALA B 76 ? PRO B 81 ? ALA B 157 PRO B 162 H 4 LYS B 92 ? VAL B 96 ? LYS B 172 VAL B 176 I 1 SER B 99 ? HIS B 104 ? SER B 179 HIS B 184 I 2 TRP B 109 ? SER B 115 ? TRP B 189 SER B 195 I 3 TYR B 122 ? TYR B 127 ? TYR B 202 TYR B 207 I 4 MET B 130 ? ARG B 136 ? MET B 210 ARG B 216 J 1 VAL B 151 ? MET B 153 ? VAL B 231 MET B 233 J 2 ASN B 156 ? ASP B 163 ? ASN B 236 ASP B 243 J 3 SER B 171 ? HIS B 178 ? SER B 251 HIS B 258 J 4 MET B 181 ? VAL B 188 ? MET B 261 VAL B 268 K 1 GLU B 196 ? ASN B 203 ? GLU B 276 ASN B 283 K 2 LYS B 206 ? ARG B 212 ? LYS B 286 ARG B 292 K 3 PRO B 221 ? PHE B 225 ? PRO B 301 PHE B 305 K 4 TYR B 231 ? TYR B 235 ? TYR B 312 TYR B 316 L 1 GLY B 274 ? GLN B 277 ? GLY B 353 GLN B 356 L 2 SER B 280 ? ARG B 285 ? SER B 359 ARG B 364 L 3 SER B 293 ? ILE B 300 ? SER B 372 ILE B 379 L 4 ILE B 311 ? TRP B 323 ? ILE B 391 TRP B 403 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 19 ? N VAL A 100 O VAL A 369 ? O VAL A 445 A 2 3 O GLY A 372 ? O GLY A 448 N PRO A 344 ? N PRO A 420 A 3 4 O CYS A 345 ? O CYS A 421 N PHE A 330 ? N PHE A 410 B 1 2 N PHE A 40 ? N PHE A 121 O PHE A 51 ? O PHE A 132 B 2 3 N THR A 54 ? N THR A 135 O ALA A 76 ? O ALA A 157 B 3 4 N SER A 79 ? N SER A 160 O LYS A 92 ? O LYS A 172 C 1 2 N CYS A 103 ? N CYS A 183 O LEU A 110 ? O LEU A 190 C 2 3 N ALA A 111 ? N ALA A 191 O HIS A 126 ? O HIS A 206 C 3 4 N TYR A 127 ? N TYR A 207 O MET A 130 ? O MET A 210 D 1 2 N VAL A 151 ? N VAL A 231 O TYR A 158 ? O TYR A 238 D 2 3 N TRP A 159 ? N TRP A 239 O PHE A 175 ? O PHE A 255 D 3 4 N TYR A 172 ? N TYR A 252 O VAL A 188 ? O VAL A 268 E 1 2 N TYR A 201 ? N TYR A 281 O GLU A 208 ? O GLU A 288 E 2 3 N VAL A 207 ? N VAL A 287 O PHE A 225 ? O PHE A 305 E 3 4 N ILE A 224 ? N ILE A 304 O GLU A 232 ? O GLU A 313 F 1 2 N GLN A 277 ? N GLN A 356 O SER A 280 ? O SER A 359 F 2 3 N VAL A 281 ? N VAL A 360 O ILE A 300 ? O ILE A 379 F 3 4 N PHE A 295 ? N PHE A 374 O LEU A 318 ? O LEU A 398 G 1 2 N VAL B 19 ? N VAL B 100 O VAL B 369 ? O VAL B 445 G 2 3 O PHE B 370 ? O PHE B 446 N PHE B 346 ? N PHE B 422 G 3 4 O CYS B 345 ? O CYS B 421 N PHE B 330 ? N PHE B 410 H 1 2 N PHE B 40 ? N PHE B 121 O PHE B 51 ? O PHE B 132 H 2 3 N THR B 54 ? N THR B 135 O ALA B 76 ? O ALA B 157 H 3 4 N LEU B 77 ? N LEU B 158 O SER B 95 ? O SER B 175 I 1 2 N CYS B 103 ? N CYS B 183 O LEU B 110 ? O LEU B 190 I 2 3 N ALA B 111 ? N ALA B 191 O HIS B 126 ? O HIS B 206 I 3 4 N TYR B 127 ? N TYR B 207 O MET B 130 ? O MET B 210 J 1 2 N VAL B 151 ? N VAL B 231 O TYR B 158 ? O TYR B 238 J 2 3 N TRP B 159 ? N TRP B 239 O PHE B 175 ? O PHE B 255 J 3 4 N TYR B 172 ? N TYR B 252 O VAL B 188 ? O VAL B 268 K 1 2 N TYR B 201 ? N TYR B 281 O GLU B 208 ? O GLU B 288 K 2 3 N VAL B 207 ? N VAL B 287 O PHE B 225 ? O PHE B 305 K 3 4 N ILE B 224 ? N ILE B 304 O GLU B 232 ? O GLU B 313 L 1 2 N GLN B 277 ? N GLN B 356 O SER B 280 ? O SER B 359 L 2 3 N VAL B 281 ? N VAL B 360 O ILE B 300 ? O ILE B 379 L 3 4 N LEU B 299 ? N LEU B 378 O VAL B 312 ? O VAL B 392 # 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 601' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 801' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 802' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 803' AC5 Software ? ? ? ? 21 'BINDING SITE FOR RESIDUE ZMR A 901' AC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE GOL A 1' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GOL A 472' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 601' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG B 801' BC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG B 802' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG B 803' BC3 Software ? ? ? ? 22 'BINDING SITE FOR RESIDUE ZMR B 901' BC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL B 1' BC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL B 472' # 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 HOH Q . ? HOH A 4 . ? 1_555 ? 2 AC1 6 ASP A 213 ? ASP A 293 . ? 1_555 ? 3 AC1 6 GLY A 217 ? GLY A 297 . ? 1_555 ? 4 AC1 6 ASP A 243 ? ASP A 324 . ? 1_555 ? 5 AC1 6 TYR A 268 ? TYR A 347 . ? 1_555 ? 6 AC1 6 HOH Q . ? HOH A 473 . ? 1_555 ? 7 AC2 5 LEU A 10 ? LEU A 91 . ? 1_555 ? 8 AC2 5 ASN A 12 ? ASN A 93 . ? 1_555 ? 9 AC2 5 HOH Q . ? HOH A 679 . ? 1_555 ? 10 AC2 5 NAG E . ? NAG A 802 . ? 1_555 ? 11 AC2 5 HOH Q . ? HOH A 1048 . ? 1_555 ? 12 AC3 4 ASN A 279 ? ASN A 358 . ? 1_555 ? 13 AC3 4 NAG D . ? NAG A 801 . ? 1_555 ? 14 AC3 4 HOH Q . ? HOH A 826 . ? 1_555 ? 15 AC3 4 HOH Q . ? HOH A 1091 . ? 1_555 ? 16 AC4 3 ASN A 65 ? ASN A 146 . ? 1_555 ? 17 AC4 3 HOH Q . ? HOH A 702 . ? 1_555 ? 18 AC4 3 HOH Q . ? HOH A 846 . ? 1_555 ? 19 AC5 21 HOH Q . ? HOH A 69 . ? 1_555 ? 20 AC5 21 ARG A 37 ? ARG A 118 . ? 1_555 ? 21 AC5 21 GLU A 38 ? GLU A 119 . ? 1_555 ? 22 AC5 21 ASP A 70 ? ASP A 151 . ? 1_555 ? 23 AC5 21 ARG A 71 ? ARG A 152 . ? 1_555 ? 24 AC5 21 ARG A 75 ? ARG A 156 . ? 1_555 ? 25 AC5 21 TRP A 98 ? TRP A 178 . ? 1_555 ? 26 AC5 21 ARG A 144 ? ARG A 224 . ? 1_555 ? 27 AC5 21 GLU A 147 ? GLU A 227 . ? 1_555 ? 28 AC5 21 ALA A 166 ? ALA A 246 . ? 1_555 ? 29 AC5 21 GLU A 196 ? GLU A 276 . ? 1_555 ? 30 AC5 21 GLU A 197 ? GLU A 277 . ? 1_555 ? 31 AC5 21 ARG A 212 ? ARG A 292 . ? 1_555 ? 32 AC5 21 ASN A 214 ? ASN A 294 . ? 1_555 ? 33 AC5 21 TYR A 268 ? TYR A 347 . ? 1_555 ? 34 AC5 21 ARG A 292 ? ARG A 371 . ? 1_555 ? 35 AC5 21 TYR A 326 ? TYR A 406 . ? 1_555 ? 36 AC5 21 HOH Q . ? HOH A 554 . ? 1_555 ? 37 AC5 21 HOH Q . ? HOH A 578 . ? 1_555 ? 38 AC5 21 HOH Q . ? HOH A 620 . ? 1_555 ? 39 AC5 21 HOH Q . ? HOH A 694 . ? 1_555 ? 40 AC6 9 LYS A 176 ? LYS A 256 . ? 1_555 ? 41 AC6 9 ASN A 184 ? ASN A 264 . ? 1_555 ? 42 AC6 9 HOH Q . ? HOH A 537 . ? 1_555 ? 43 AC6 9 HOH Q . ? HOH A 686 . ? 1_555 ? 44 AC6 9 HOH Q . ? HOH A 713 . ? 1_555 ? 45 AC6 9 HOH Q . ? HOH A 736 . ? 1_555 ? 46 AC6 9 HOH Q . ? HOH A 921 . ? 1_555 ? 47 AC6 9 ASN B 167 ? ASN B 247 . ? 1_555 ? 48 AC6 9 TRP B 215 ? TRP B 295 . ? 1_555 ? 49 AC7 5 LYS A 206 ? LYS A 286 . ? 1_555 ? 50 AC7 5 ILE A 224 ? ILE A 304 . ? 1_555 ? 51 AC7 5 ASP A 226 ? ASP A 306 . ? 1_555 ? 52 AC7 5 ASP A 230 ? ASP A 311 . ? 1_555 ? 53 AC7 5 GLU A 232 ? GLU A 313 . ? 1_555 ? 54 AC8 6 HOH R . ? HOH B 3 . ? 1_555 ? 55 AC8 6 HOH R . ? HOH B 43 . ? 1_555 ? 56 AC8 6 ASP B 213 ? ASP B 293 . ? 1_555 ? 57 AC8 6 GLY B 217 ? GLY B 297 . ? 1_555 ? 58 AC8 6 ASP B 243 ? ASP B 324 . ? 1_555 ? 59 AC8 6 TYR B 268 ? TYR B 347 . ? 1_555 ? 60 AC9 6 LEU B 10 ? LEU B 91 . ? 1_555 ? 61 AC9 6 ASN B 12 ? ASN B 93 . ? 1_555 ? 62 AC9 6 NAG L . ? NAG B 802 . ? 1_555 ? 63 AC9 6 HOH R . ? HOH B 999 . ? 1_555 ? 64 AC9 6 HOH R . ? HOH B 1034 . ? 1_555 ? 65 AC9 6 HOH R . ? HOH B 1046 . ? 1_555 ? 66 BC1 8 HOH Q . ? HOH A 492 . ? 3_564 ? 67 BC1 8 ASN B 279 ? ASN B 358 . ? 1_555 ? 68 BC1 8 HOH R . ? HOH B 619 . ? 1_555 ? 69 BC1 8 HOH R . ? HOH B 656 . ? 1_555 ? 70 BC1 8 HOH R . ? HOH B 702 . ? 1_555 ? 71 BC1 8 NAG K . ? NAG B 801 . ? 1_555 ? 72 BC1 8 HOH R . ? HOH B 913 . ? 1_555 ? 73 BC1 8 HOH R . ? HOH B 949 . ? 1_555 ? 74 BC2 2 ASN B 65 ? ASN B 146 . ? 1_555 ? 75 BC2 2 HOH R . ? HOH B 691 . ? 1_555 ? 76 BC3 22 ARG B 37 ? ARG B 118 . ? 1_555 ? 77 BC3 22 GLU B 38 ? GLU B 119 . ? 1_555 ? 78 BC3 22 ASP B 70 ? ASP B 151 . ? 1_555 ? 79 BC3 22 ARG B 71 ? ARG B 152 . ? 1_555 ? 80 BC3 22 ARG B 75 ? ARG B 156 . ? 1_555 ? 81 BC3 22 TRP B 98 ? TRP B 178 . ? 1_555 ? 82 BC3 22 ARG B 144 ? ARG B 224 . ? 1_555 ? 83 BC3 22 GLU B 147 ? GLU B 227 . ? 1_555 ? 84 BC3 22 ALA B 166 ? ALA B 246 . ? 1_555 ? 85 BC3 22 GLU B 196 ? GLU B 276 . ? 1_555 ? 86 BC3 22 GLU B 197 ? GLU B 277 . ? 1_555 ? 87 BC3 22 ARG B 212 ? ARG B 292 . ? 1_555 ? 88 BC3 22 ASN B 214 ? ASN B 294 . ? 1_555 ? 89 BC3 22 TYR B 268 ? TYR B 347 . ? 1_555 ? 90 BC3 22 ARG B 292 ? ARG B 371 . ? 1_555 ? 91 BC3 22 TYR B 326 ? TYR B 406 . ? 1_555 ? 92 BC3 22 HOH R . ? HOH B 477 . ? 1_555 ? 93 BC3 22 HOH R . ? HOH B 492 . ? 1_555 ? 94 BC3 22 HOH R . ? HOH B 585 . ? 1_555 ? 95 BC3 22 HOH R . ? HOH B 592 . ? 1_555 ? 96 BC3 22 HOH R . ? HOH B 623 . ? 1_555 ? 97 BC3 22 HOH R . ? HOH B 715 . ? 1_555 ? 98 BC4 8 HOH R . ? HOH B 7 . ? 1_555 ? 99 BC4 8 PHE B 34 ? PHE B 115 . ? 3_565 ? 100 BC4 8 MET B 78 ? MET B 159 . ? 3_565 ? 101 BC4 8 SER B 84 A SER B 164 . ? 1_555 ? 102 BC4 8 SER B 85 ? SER B 165 . ? 1_555 ? 103 BC4 8 ALA B 88 ? ALA B 168 . ? 3_565 ? 104 BC4 8 GLN B 90 ? GLN B 170 . ? 1_555 ? 105 BC4 8 ALA B 91 ? ALA B 171 . ? 3_565 ? 106 BC5 8 ASN B 6 ? ASN B 87 . ? 1_555 ? 107 BC5 8 CYS B 43 ? CYS B 124 . ? 1_555 ? 108 BC5 8 CYS B 103 ? CYS B 183 . ? 1_555 ? 109 BC5 8 HIS B 104 ? HIS B 184 . ? 1_555 ? 110 BC5 8 CYS B 150 ? CYS B 230 . ? 1_555 ? 111 BC5 8 VAL B 151 ? VAL B 231 . ? 1_555 ? 112 BC5 8 CYS B 152 ? CYS B 232 . ? 1_555 ? 113 BC5 8 HOH R . ? HOH B 489 . ? 1_555 ? # _database_PDB_matrix.entry_id 3SAN _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 3SAN _atom_sites.fract_transf_matrix[1][1] 0.008920 _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] 0.008920 _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] 0.014977 _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 . PRO A 1 1 ? -7.853 7.801 20.993 1.00 48.08 ? 82 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? -8.654 8.579 21.945 1.00 45.57 ? 82 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? -9.474 9.655 21.243 1.00 40.30 ? 82 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? -8.913 10.526 20.580 1.00 40.40 ? 82 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? -7.596 9.230 22.842 1.00 47.62 ? 82 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? -6.415 8.333 22.744 1.00 49.05 ? 82 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? -6.421 7.812 21.337 1.00 49.04 ? 82 PRO A CD 1 ATOM 8 N N . GLU A 1 2 ? -10.792 9.587 21.387 1.00 34.31 ? 83 GLU A N 1 ATOM 9 C CA . GLU A 1 2 ? -11.678 10.590 20.813 1.00 30.74 ? 83 GLU A CA 1 ATOM 10 C C . GLU A 1 2 ? -12.631 11.099 21.881 1.00 22.62 ? 83 GLU A C 1 ATOM 11 O O . GLU A 1 2 ? -12.846 10.435 22.892 1.00 21.85 ? 83 GLU A O 1 ATOM 12 C CB . GLU A 1 2 ? -12.467 10.003 19.643 1.00 37.57 ? 83 GLU A CB 1 ATOM 13 C CG . GLU A 1 2 ? -11.594 9.544 18.487 1.00 44.06 ? 83 GLU A CG 1 ATOM 14 C CD . GLU A 1 2 ? -12.401 9.150 17.269 1.00 49.60 ? 83 GLU A CD 1 ATOM 15 O OE1 . GLU A 1 2 ? -13.135 8.139 17.340 1.00 51.57 ? 83 GLU A OE1 1 ATOM 16 O OE2 . GLU A 1 2 ? -12.302 9.853 16.240 1.00 51.58 ? 83 GLU A OE2 1 ATOM 17 N N . PHE A 1 3 ? -13.202 12.278 21.664 1.00 17.42 ? 84 PHE A N 1 ATOM 18 C CA . PHE A 1 3 ? -14.162 12.814 22.620 1.00 14.83 ? 84 PHE A CA 1 ATOM 19 C C . PHE A 1 3 ? -15.421 11.958 22.635 1.00 15.52 ? 84 PHE A C 1 ATOM 20 O O . PHE A 1 3 ? -15.867 11.477 21.593 1.00 17.73 ? 84 PHE A O 1 ATOM 21 C CB . PHE A 1 3 ? -14.529 14.264 22.291 1.00 14.36 ? 84 PHE A CB 1 ATOM 22 C CG . PHE A 1 3 ? -13.389 15.229 22.440 1.00 13.69 ? 84 PHE A CG 1 ATOM 23 C CD1 . PHE A 1 3 ? -12.732 15.366 23.654 1.00 13.50 ? 84 PHE A CD1 1 ATOM 24 C CD2 . PHE A 1 3 ? -12.985 16.016 21.371 1.00 14.84 ? 84 PHE A CD2 1 ATOM 25 C CE1 . PHE A 1 3 ? -11.683 16.257 23.793 1.00 15.72 ? 84 PHE A CE1 1 ATOM 26 C CE2 . PHE A 1 3 ? -11.939 16.913 21.505 1.00 14.40 ? 84 PHE A CE2 1 ATOM 27 C CZ . PHE A 1 3 ? -11.286 17.033 22.720 1.00 15.62 ? 84 PHE A CZ 1 ATOM 28 N N . LEU A 1 4 ? -15.978 11.761 23.823 1.00 14.93 ? 85 LEU A N 1 ATOM 29 C CA . LEU A 1 4 ? -17.280 11.118 23.962 1.00 15.43 ? 85 LEU A CA 1 ATOM 30 C C . LEU A 1 4 ? -18.369 12.059 23.461 1.00 15.50 ? 85 LEU A C 1 ATOM 31 O O . LEU A 1 4 ? -18.403 13.226 23.847 1.00 15.59 ? 85 LEU A O 1 ATOM 32 C CB . LEU A 1 4 ? -17.551 10.786 25.429 1.00 17.86 ? 85 LEU A CB 1 ATOM 33 C CG . LEU A 1 4 ? -16.758 9.644 26.063 1.00 19.16 ? 85 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 4 ? -16.852 9.693 27.584 1.00 19.86 ? 85 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 4 ? -17.253 8.309 25.529 1.00 20.73 ? 85 LEU A CD2 1 ATOM 36 N N . ASN A 1 5 ? -19.257 11.558 22.605 1.00 14.97 ? 86 ASN A N 1 ATOM 37 C CA . ASN A 1 5 ? -20.408 12.349 22.182 1.00 13.97 ? 86 ASN A CA 1 ATOM 38 C C . ASN A 1 5 ? -21.294 12.685 23.373 1.00 13.37 ? 86 ASN A C 1 ATOM 39 O O . ASN A 1 5 ? -21.521 13.852 23.687 1.00 13.41 ? 86 ASN A O 1 ATOM 40 C CB . ASN A 1 5 ? -21.235 11.601 21.137 1.00 16.83 ? 86 ASN A CB 1 ATOM 41 C CG . ASN A 1 5 ? -20.702 11.775 19.731 1.00 22.26 ? 86 ASN A CG 1 ATOM 42 O OD1 . ASN A 1 5 ? -19.794 12.572 19.485 1.00 25.48 ? 86 ASN A OD1 1 ATOM 43 N ND2 . ASN A 1 5 ? -21.275 11.030 18.792 1.00 24.19 ? 86 ASN A ND2 1 ATOM 44 N N . ASN A 1 6 ? -21.793 11.646 24.033 1.00 14.04 ? 87 ASN A N 1 ATOM 45 C CA . ASN A 1 6 ? -22.642 11.814 25.207 1.00 14.48 ? 87 ASN A CA 1 ATOM 46 C C . ASN A 1 6 ? -23.897 12.629 24.901 1.00 14.34 ? 87 ASN A C 1 ATOM 47 O O . ASN A 1 6 ? -24.411 13.346 25.760 1.00 14.74 ? 87 ASN A O 1 ATOM 48 C CB . ASN A 1 6 ? -21.855 12.456 26.355 1.00 14.18 ? 87 ASN A CB 1 ATOM 49 C CG . ASN A 1 6 ? -21.295 11.436 27.329 1.00 16.90 ? 87 ASN A CG 1 ATOM 50 O OD1 . ASN A 1 6 ? -21.741 10.290 27.377 1.00 16.94 ? 87 ASN A OD1 1 ATOM 51 N ND2 . ASN A 1 6 ? -20.315 11.857 28.121 1.00 19.35 ? 87 ASN A ND2 1 ATOM 52 N N . THR A 1 7 ? -24.389 12.503 23.673 1.00 13.82 ? 88 THR A N 1 ATOM 53 C CA . THR A 1 7 ? -25.570 13.234 23.231 1.00 14.58 ? 88 THR A CA 1 ATOM 54 C C . THR A 1 7 ? -26.790 12.322 23.122 1.00 13.89 ? 88 THR A C 1 ATOM 55 O O . THR A 1 7 ? -27.852 12.740 22.659 1.00 14.69 ? 88 THR A O 1 ATOM 56 C CB . THR A 1 7 ? -25.320 13.906 21.872 1.00 16.07 ? 88 THR A CB 1 ATOM 57 O OG1 . THR A 1 7 ? -24.822 12.931 20.948 1.00 16.76 ? 88 THR A OG1 1 ATOM 58 C CG2 . THR A 1 7 ? -24.296 15.026 22.014 1.00 17.29 ? 88 THR A CG2 1 ATOM 59 N N . GLU A 1 8 ? -26.627 11.075 23.552 1.00 13.19 ? 89 GLU A N 1 ATOM 60 C CA . GLU A 1 8 ? -27.698 10.087 23.506 1.00 12.67 ? 89 GLU A CA 1 ATOM 61 C C . GLU A 1 8 ? -28.780 10.410 24.532 1.00 13.07 ? 89 GLU A C 1 ATOM 62 O O . GLU A 1 8 ? -28.541 11.156 25.480 1.00 13.02 ? 89 GLU A O 1 ATOM 63 C CB . GLU A 1 8 ? -27.132 8.686 23.783 1.00 14.70 ? 89 GLU A CB 1 ATOM 64 C CG . GLU A 1 8 ? -26.172 8.158 22.717 1.00 17.66 ? 89 GLU A CG 1 ATOM 65 C CD . GLU A 1 8 ? -24.742 8.666 22.874 1.00 20.72 ? 89 GLU A CD 1 ATOM 66 O OE1 . GLU A 1 8 ? -24.465 9.431 23.820 1.00 20.96 ? 89 GLU A OE1 1 ATOM 67 O OE2 . GLU A 1 8 ? -23.886 8.285 22.048 1.00 23.96 ? 89 GLU A OE2 1 ATOM 68 N N . PRO A 1 9 ? -29.979 9.842 24.352 1.00 12.68 ? 90 PRO A N 1 ATOM 69 C CA . PRO A 1 9 ? -30.998 10.011 25.392 1.00 12.86 ? 90 PRO A CA 1 ATOM 70 C C . PRO A 1 9 ? -30.601 9.256 26.651 1.00 12.43 ? 90 PRO A C 1 ATOM 71 O O . PRO A 1 9 ? -29.860 8.283 26.569 1.00 13.95 ? 90 PRO A O 1 ATOM 72 C CB . PRO A 1 9 ? -32.234 9.350 24.777 1.00 14.94 ? 90 PRO A CB 1 ATOM 73 C CG . PRO A 1 9 ? -31.683 8.375 23.775 1.00 14.66 ? 90 PRO A CG 1 ATOM 74 C CD . PRO A 1 9 ? -30.471 9.051 23.211 1.00 13.91 ? 90 PRO A CD 1 ATOM 75 N N . LEU A 1 10 ? -31.086 9.707 27.802 1.00 11.76 ? 91 LEU A N 1 ATOM 76 C CA . LEU A 1 10 ? -30.936 8.951 29.035 1.00 11.37 ? 91 LEU A CA 1 ATOM 77 C C . LEU A 1 10 ? -31.833 7.718 28.973 1.00 11.92 ? 91 LEU A C 1 ATOM 78 O O . LEU A 1 10 ? -32.979 7.804 28.521 1.00 12.61 ? 91 LEU A O 1 ATOM 79 C CB . LEU A 1 10 ? -31.342 9.809 30.231 1.00 11.48 ? 91 LEU A CB 1 ATOM 80 C CG . LEU A 1 10 ? -31.017 9.218 31.602 1.00 11.00 ? 91 LEU A CG 1 ATOM 81 C CD1 . LEU A 1 10 ? -29.524 9.358 31.889 1.00 11.82 ? 91 LEU A CD1 1 ATOM 82 C CD2 . LEU A 1 10 ? -31.844 9.890 32.695 1.00 11.95 ? 91 LEU A CD2 1 ATOM 83 N N . CYS A 1 11 ? -31.321 6.574 29.422 1.00 12.08 ? 92 CYS A N 1 ATOM 84 C CA . CYS A 1 11 ? -32.130 5.359 29.479 1.00 13.49 ? 92 CYS A CA 1 ATOM 85 C C . CYS A 1 11 ? -33.318 5.518 30.419 1.00 13.11 ? 92 CYS A C 1 ATOM 86 O O . CYS A 1 11 ? -33.218 6.169 31.458 1.00 12.69 ? 92 CYS A O 1 ATOM 87 C CB . CYS A 1 11 ? -31.299 4.170 29.967 1.00 15.75 ? 92 CYS A CB 1 ATOM 88 S SG . CYS A 1 11 ? -29.920 3.708 28.905 1.00 19.50 ? 92 CYS A SG 1 ATOM 89 N N . ASN A 1 12 ? -34.439 4.908 30.049 1.00 13.25 ? 93 ASN A N 1 ATOM 90 C CA . ASN A 1 12 ? -35.527 4.700 30.991 1.00 12.88 ? 93 ASN A CA 1 ATOM 91 C C . ASN A 1 12 ? -35.233 3.432 31.775 1.00 12.06 ? 93 ASN A C 1 ATOM 92 O O . ASN A 1 12 ? -34.935 2.391 31.187 1.00 15.04 ? 93 ASN A O 1 ATOM 93 C CB . ASN A 1 12 ? -36.859 4.554 30.260 1.00 14.82 ? 93 ASN A CB 1 ATOM 94 C CG . ASN A 1 12 ? -37.288 5.829 29.575 1.00 18.10 ? 93 ASN A CG 1 ATOM 95 O OD1 . ASN A 1 12 ? -37.297 6.902 30.183 1.00 17.57 ? 93 ASN A OD1 1 ATOM 96 N ND2 . ASN A 1 12 ? -37.653 5.716 28.299 1.00 20.27 ? 93 ASN A ND2 1 ATOM 97 N N . VAL A 1 13 ? -35.302 3.516 33.096 1.00 10.94 ? 94 VAL A N 1 ATOM 98 C CA . VAL A 1 13 ? -35.001 2.364 33.933 1.00 11.83 ? 94 VAL A CA 1 ATOM 99 C C . VAL A 1 13 ? -36.130 2.087 34.915 1.00 12.34 ? 94 VAL A C 1 ATOM 100 O O . VAL A 1 13 ? -36.869 2.992 35.301 1.00 12.66 ? 94 VAL A O 1 ATOM 101 C CB . VAL A 1 13 ? -33.669 2.544 34.691 1.00 11.16 ? 94 VAL A CB 1 ATOM 102 C CG1 . VAL A 1 13 ? -32.531 2.784 33.703 1.00 11.17 ? 94 VAL A CG1 1 ATOM 103 C CG2 . VAL A 1 13 ? -33.765 3.696 35.683 1.00 12.06 ? 94 VAL A CG2 1 ATOM 104 N N . SER A 1 14 ? -36.256 0.827 35.314 1.00 12.18 ? 95 SER A N 1 ATOM 105 C CA . SER A 1 14 ? -37.349 0.407 36.181 1.00 13.60 ? 95 SER A CA 1 ATOM 106 C C . SER A 1 14 ? -36.873 0.045 37.579 1.00 12.47 ? 95 SER A C 1 ATOM 107 O O . SER A 1 14 ? -37.678 -0.238 38.461 1.00 13.69 ? 95 SER A O 1 ATOM 108 C CB . SER A 1 14 ? -38.083 -0.779 35.561 1.00 16.48 ? 95 SER A CB 1 ATOM 109 O OG . SER A 1 14 ? -38.675 -0.404 34.328 1.00 20.29 ? 95 SER A OG 1 ATOM 110 N N . GLY A 1 15 ? -35.562 0.046 37.782 1.00 10.91 ? 96 GLY A N 1 ATOM 111 C CA . GLY A 1 15 ? -35.016 -0.305 39.079 1.00 11.13 ? 96 GLY A CA 1 ATOM 112 C C . GLY A 1 15 ? -33.558 0.082 39.170 1.00 11.04 ? 96 GLY A C 1 ATOM 113 O O . GLY A 1 15 ? -32.947 0.444 38.166 1.00 11.25 ? 96 GLY A O 1 ATOM 114 N N . PHE A 1 16 ? -33.001 0.004 40.373 1.00 10.72 ? 97 PHE A N 1 ATOM 115 C CA . PHE A 1 16 ? -31.596 0.338 40.589 1.00 10.44 ? 97 PHE A CA 1 ATOM 116 C C . PHE A 1 16 ? -30.886 -0.787 41.332 1.00 11.49 ? 97 PHE A C 1 ATOM 117 O O . PHE A 1 16 ? -31.320 -1.211 42.406 1.00 13.26 ? 97 PHE A O 1 ATOM 118 C CB . PHE A 1 16 ? -31.467 1.667 41.342 1.00 10.48 ? 97 PHE A CB 1 ATOM 119 C CG . PHE A 1 16 ? -31.786 2.870 40.493 1.00 12.72 ? 97 PHE A CG 1 ATOM 120 C CD1 . PHE A 1 16 ? -30.776 3.564 39.846 1.00 13.28 ? 97 PHE A CD1 1 ATOM 121 C CD2 . PHE A 1 16 ? -33.095 3.293 40.329 1.00 15.08 ? 97 PHE A CD2 1 ATOM 122 C CE1 . PHE A 1 16 ? -31.062 4.669 39.059 1.00 13.45 ? 97 PHE A CE1 1 ATOM 123 C CE2 . PHE A 1 16 ? -33.389 4.396 39.539 1.00 15.91 ? 97 PHE A CE2 1 ATOM 124 C CZ . PHE A 1 16 ? -32.370 5.083 38.903 1.00 15.38 ? 97 PHE A CZ 1 ATOM 125 N N . ALA A 1 17 ? -29.802 -1.271 40.735 1.00 10.03 ? 98 ALA A N 1 ATOM 126 C CA . ALA A 1 17 ? -29.043 -2.394 41.273 1.00 9.32 ? 98 ALA A CA 1 ATOM 127 C C . ALA A 1 17 ? -27.751 -1.887 41.894 1.00 9.78 ? 98 ALA A C 1 ATOM 128 O O . ALA A 1 17 ? -27.106 -0.999 41.345 1.00 10.31 ? 98 ALA A O 1 ATOM 129 C CB . ALA A 1 17 ? -28.730 -3.380 40.166 1.00 11.20 ? 98 ALA A CB 1 ATOM 130 N N . ILE A 1 18 ? -27.365 -2.453 43.031 1.00 9.57 ? 99 ILE A N 1 ATOM 131 C CA . ILE A 1 18 ? -26.144 -2.003 43.686 1.00 8.73 ? 99 ILE A CA 1 ATOM 132 C C . ILE A 1 18 ? -24.915 -2.407 42.871 1.00 8.66 ? 99 ILE A C 1 ATOM 133 O O . ILE A 1 18 ? -24.816 -3.536 42.389 1.00 9.45 ? 99 ILE A O 1 ATOM 134 C CB . ILE A 1 18 ? -26.043 -2.497 45.145 1.00 8.51 ? 99 ILE A CB 1 ATOM 135 C CG1 . ILE A 1 18 ? -24.925 -1.748 45.879 1.00 8.82 ? 99 ILE A CG1 1 ATOM 136 C CG2 . ILE A 1 18 ? -25.866 -4.018 45.209 1.00 10.08 ? 99 ILE A CG2 1 ATOM 137 C CD1 . ILE A 1 18 ? -24.920 -1.981 47.385 1.00 9.80 ? 99 ILE A CD1 1 ATOM 138 N N . VAL A 1 19 ? -23.993 -1.464 42.712 1.00 8.22 ? 100 VAL A N 1 ATOM 139 C CA . VAL A 1 19 ? -22.795 -1.666 41.906 1.00 8.62 ? 100 VAL A CA 1 ATOM 140 C C . VAL A 1 19 ? -21.560 -1.789 42.780 1.00 8.75 ? 100 VAL A C 1 ATOM 141 O O . VAL A 1 19 ? -20.663 -2.593 42.502 1.00 11.28 ? 100 VAL A O 1 ATOM 142 C CB . VAL A 1 19 ? -22.588 -0.496 40.920 1.00 12.35 ? 100 VAL A CB 1 ATOM 143 C CG1 . VAL A 1 19 ? -21.263 -0.641 40.168 1.00 14.41 ? 100 VAL A CG1 1 ATOM 144 C CG2 . VAL A 1 19 ? -23.756 -0.416 39.958 1.00 15.32 ? 100 VAL A CG2 1 ATOM 145 N N . SER A 1 20 ? -21.498 -0.986 43.834 1.00 8.55 ? 101 SER A N 1 ATOM 146 C CA . SER A 1 20 ? -20.338 -1.033 44.716 1.00 8.61 ? 101 SER A CA 1 ATOM 147 C C . SER A 1 20 ? -20.648 -0.527 46.112 1.00 7.47 ? 101 SER A C 1 ATOM 148 O O . SER A 1 20 ? -21.644 0.170 46.340 1.00 8.75 ? 101 SER A O 1 ATOM 149 C CB . SER A 1 20 ? -19.161 -0.248 44.125 1.00 12.29 ? 101 SER A CB 1 ATOM 150 O OG . SER A 1 20 ? -19.444 1.135 44.075 1.00 14.34 ? 101 SER A OG 1 ATOM 151 N N . LYS A 1 21 ? -19.776 -0.897 47.040 1.00 7.13 ? 102 LYS A N 1 ATOM 152 C CA . LYS A 1 21 ? -19.812 -0.401 48.403 1.00 8.47 ? 102 LYS A CA 1 ATOM 153 C C . LYS A 1 21 ? -18.372 -0.414 48.885 1.00 9.23 ? 102 LYS A C 1 ATOM 154 O O . LYS A 1 21 ? -17.716 -1.457 48.828 1.00 10.58 ? 102 LYS A O 1 ATOM 155 C CB . LYS A 1 21 ? -20.656 -1.307 49.291 1.00 7.82 ? 102 LYS A CB 1 ATOM 156 C CG . LYS A 1 21 ? -20.783 -0.802 50.727 1.00 7.84 ? 102 LYS A CG 1 ATOM 157 C CD . LYS A 1 21 ? -21.594 -1.763 51.588 1.00 8.32 ? 102 LYS A CD 1 ATOM 158 C CE . LYS A 1 21 ? -22.086 -1.090 52.868 1.00 9.05 ? 102 LYS A CE 1 ATOM 159 N NZ . LYS A 1 21 ? -20.967 -0.518 53.673 1.00 8.27 ? 102 LYS A NZ 1 ATOM 160 N N . ASP A 1 22 ? -17.867 0.724 49.351 1.00 9.78 ? 103 ASP A N 1 ATOM 161 C CA . ASP A 1 22 ? -16.436 0.797 49.655 1.00 9.98 ? 103 ASP A CA 1 ATOM 162 C C . ASP A 1 22 ? -16.040 0.390 51.077 1.00 8.10 ? 103 ASP A C 1 ATOM 163 O O . ASP A 1 22 ? -14.875 0.058 51.323 1.00 9.32 ? 103 ASP A O 1 ATOM 164 C CB . ASP A 1 22 ? -15.845 2.166 49.279 1.00 13.53 ? 103 ASP A CB 1 ATOM 165 C CG . ASP A 1 22 ? -16.534 3.320 49.972 1.00 19.47 ? 103 ASP A CG 1 ATOM 166 O OD1 . ASP A 1 22 ? -16.876 3.189 51.162 1.00 21.67 ? 103 ASP A OD1 1 ATOM 167 O OD2 . ASP A 1 22 ? -16.719 4.370 49.324 1.00 23.95 ? 103 ASP A OD2 1 ATOM 168 N N . ASN A 1 23 ? -17.000 0.396 51.999 1.00 7.52 ? 104 ASN A N 1 ATOM 169 C CA . ASN A 1 23 ? -16.740 -0.006 53.385 1.00 8.29 ? 104 ASN A CA 1 ATOM 170 C C . ASN A 1 23 ? -15.539 0.715 53.983 1.00 8.11 ? 104 ASN A C 1 ATOM 171 O O . ASN A 1 23 ? -14.818 0.156 54.811 1.00 7.99 ? 104 ASN A O 1 ATOM 172 C CB . ASN A 1 23 ? -16.532 -1.523 53.485 1.00 8.77 ? 104 ASN A CB 1 ATOM 173 C CG . ASN A 1 23 ? -17.794 -2.302 53.200 1.00 8.72 ? 104 ASN A CG 1 ATOM 174 O OD1 . ASN A 1 23 ? -18.780 -2.203 53.937 1.00 9.97 ? 104 ASN A OD1 1 ATOM 175 N ND2 . ASN A 1 23 ? -17.775 -3.087 52.121 1.00 10.01 ? 104 ASN A ND2 1 ATOM 176 N N . GLY A 1 24 ? -15.338 1.961 53.564 1.00 8.31 ? 105 GLY A N 1 ATOM 177 C CA . GLY A 1 24 ? -14.122 2.687 53.879 1.00 8.99 ? 105 GLY A CA 1 ATOM 178 C C . GLY A 1 24 ? -13.872 2.915 55.358 1.00 8.83 ? 105 GLY A C 1 ATOM 179 O O . GLY A 1 24 ? -12.728 2.859 55.818 1.00 8.93 ? 105 GLY A O 1 ATOM 180 N N . ILE A 1 25 ? -14.933 3.188 56.109 1.00 8.62 ? 106 ILE A N 1 ATOM 181 C CA . ILE A 1 25 ? -14.770 3.483 57.527 1.00 8.03 ? 106 ILE A CA 1 ATOM 182 C C . ILE A 1 25 ? -14.512 2.209 58.334 1.00 8.08 ? 106 ILE A C 1 ATOM 183 O O . ILE A 1 25 ? -13.659 2.190 59.225 1.00 8.53 ? 106 ILE A O 1 ATOM 184 C CB . ILE A 1 25 ? -15.958 4.299 58.079 1.00 7.06 ? 106 ILE A CB 1 ATOM 185 C CG1 . ILE A 1 25 ? -16.114 5.581 57.246 1.00 8.81 ? 106 ILE A CG1 1 ATOM 186 C CG2 . ILE A 1 25 ? -15.742 4.628 59.560 1.00 7.24 ? 106 ILE A CG2 1 ATOM 187 C CD1 . ILE A 1 25 ? -17.264 6.470 57.664 1.00 9.59 ? 106 ILE A CD1 1 ATOM 188 N N . ARG A 1 26 ? -15.225 1.136 58.004 1.00 6.77 ? 107 ARG A N 1 ATOM 189 C CA . ARG A 1 26 ? -14.928 -0.168 58.601 1.00 7.92 ? 107 ARG A CA 1 ATOM 190 C C . ARG A 1 26 ? -13.461 -0.532 58.387 1.00 8.03 ? 107 ARG A C 1 ATOM 191 O O . ARG A 1 26 ? -12.763 -0.926 59.319 1.00 8.08 ? 107 ARG A O 1 ATOM 192 C CB . ARG A 1 26 ? -15.811 -1.256 57.997 1.00 8.28 ? 107 ARG A CB 1 ATOM 193 C CG . ARG A 1 26 ? -17.242 -1.244 58.499 1.00 8.59 ? 107 ARG A CG 1 ATOM 194 C CD . ARG A 1 26 ? -18.127 -2.181 57.681 1.00 8.44 ? 107 ARG A CD 1 ATOM 195 N NE . ARG A 1 26 ? -17.718 -3.582 57.771 1.00 7.90 ? 107 ARG A NE 1 ATOM 196 C CZ . ARG A 1 26 ? -18.105 -4.424 58.726 1.00 8.18 ? 107 ARG A CZ 1 ATOM 197 N NH1 . ARG A 1 26 ? -18.905 -4.012 59.707 1.00 8.93 ? 107 ARG A NH1 1 ATOM 198 N NH2 . ARG A 1 26 ? -17.684 -5.686 58.706 1.00 9.37 ? 107 ARG A NH2 1 ATOM 199 N N . ILE A 1 27 ? -12.998 -0.399 57.149 1.00 8.22 ? 108 ILE A N 1 ATOM 200 C CA . ILE A 1 27 ? -11.617 -0.723 56.815 1.00 7.74 ? 108 ILE A CA 1 ATOM 201 C C . ILE A 1 27 ? -10.649 0.198 57.562 1.00 8.64 ? 108 ILE A C 1 ATOM 202 O O . ILE A 1 27 ? -9.625 -0.254 58.081 1.00 9.58 ? 108 ILE A O 1 ATOM 203 C CB . ILE A 1 27 ? -11.397 -0.654 55.286 1.00 7.50 ? 108 ILE A CB 1 ATOM 204 C CG1 . ILE A 1 27 ? -12.185 -1.778 54.599 1.00 6.90 ? 108 ILE A CG1 1 ATOM 205 C CG2 . ILE A 1 27 ? -9.909 -0.747 54.932 1.00 9.75 ? 108 ILE A CG2 1 ATOM 206 C CD1 . ILE A 1 27 ? -12.329 -1.605 53.096 1.00 8.02 ? 108 ILE A CD1 1 ATOM 207 N N . GLY A 1 28 ? -10.992 1.484 57.627 1.00 7.93 ? 109 GLY A N 1 ATOM 208 C CA . GLY A 1 28 ? -10.159 2.488 58.269 1.00 8.95 ? 109 GLY A CA 1 ATOM 209 C C . GLY A 1 28 ? -10.059 2.394 59.783 1.00 8.45 ? 109 GLY A C 1 ATOM 210 O O . GLY A 1 28 ? -9.330 3.166 60.414 1.00 9.32 ? 109 GLY A O 1 ATOM 211 N N . SER A 1 29 ? -10.785 1.453 60.376 1.00 8.59 ? 110 SER A N 1 ATOM 212 C CA . SER A 1 29 ? -10.619 1.161 61.796 1.00 9.75 ? 110 SER A CA 1 ATOM 213 C C . SER A 1 29 ? -9.190 0.666 62.050 1.00 10.06 ? 110 SER A C 1 ATOM 214 O O . SER A 1 29 ? -8.626 0.874 63.133 1.00 10.91 ? 110 SER A O 1 ATOM 215 C CB . SER A 1 29 ? -11.638 0.110 62.244 1.00 9.62 ? 110 SER A CB 1 ATOM 216 O OG . SER A 1 29 ? -11.539 -0.163 63.635 1.00 10.29 ? 110 SER A OG 1 ATOM 217 N N . ARG A 1 30 ? -8.604 0.020 61.044 1.00 9.49 ? 111 ARG A N 1 ATOM 218 C CA . ARG A 1 30 ? -7.243 -0.506 61.163 1.00 8.51 ? 111 ARG A CA 1 ATOM 219 C C . ARG A 1 30 ? -6.350 -0.089 59.991 1.00 8.01 ? 111 ARG A C 1 ATOM 220 O O . ARG A 1 30 ? -5.166 0.220 60.172 1.00 9.15 ? 111 ARG A O 1 ATOM 221 C CB . ARG A 1 30 ? -7.269 -2.031 61.281 1.00 9.37 ? 111 ARG A CB 1 ATOM 222 C CG . ARG A 1 30 ? -5.893 -2.667 61.475 1.00 8.52 ? 111 ARG A CG 1 ATOM 223 C CD . ARG A 1 30 ? -6.027 -4.121 61.934 1.00 9.22 ? 111 ARG A CD 1 ATOM 224 N NE . ARG A 1 30 ? -4.745 -4.741 62.274 1.00 9.29 ? 111 ARG A NE 1 ATOM 225 C CZ . ARG A 1 30 ? -4.099 -4.547 63.421 1.00 10.67 ? 111 ARG A CZ 1 ATOM 226 N NH1 . ARG A 1 30 ? -4.597 -3.723 64.338 1.00 12.82 ? 111 ARG A NH1 1 ATOM 227 N NH2 . ARG A 1 30 ? -2.945 -5.168 63.646 1.00 12.18 ? 111 ARG A NH2 1 ATOM 228 N N . GLY A 1 31 ? -6.920 -0.090 58.789 1.00 7.22 ? 112 GLY A N 1 ATOM 229 C CA . GLY A 1 31 ? -6.183 0.290 57.599 1.00 6.85 ? 112 GLY A CA 1 ATOM 230 C C . GLY A 1 31 ? -5.960 1.789 57.546 1.00 8.06 ? 112 GLY A C 1 ATOM 231 O O . GLY A 1 31 ? -6.463 2.535 58.386 1.00 10.35 ? 112 GLY A O 1 ATOM 232 N N . HIS A 1 32 ? -5.194 2.226 56.553 1.00 7.11 ? 113 HIS A N 1 ATOM 233 C CA . HIS A 1 32 ? -4.838 3.624 56.420 1.00 6.65 ? 113 HIS A CA 1 ATOM 234 C C . HIS A 1 32 ? -5.727 4.264 55.374 1.00 8.05 ? 113 HIS A C 1 ATOM 235 O O . HIS A 1 32 ? -5.473 4.171 54.174 1.00 8.34 ? 113 HIS A O 1 ATOM 236 C CB . HIS A 1 32 ? -3.354 3.742 56.083 1.00 6.88 ? 113 HIS A CB 1 ATOM 237 C CG . HIS A 1 32 ? -2.473 3.253 57.185 1.00 6.88 ? 113 HIS A CG 1 ATOM 238 N ND1 . HIS A 1 32 ? -1.141 2.932 57.003 1.00 8.51 ? 113 HIS A ND1 1 ATOM 239 C CD2 . HIS A 1 32 ? -2.734 3.025 58.493 1.00 7.78 ? 113 HIS A CD2 1 ATOM 240 C CE1 . HIS A 1 32 ? -0.626 2.536 58.150 1.00 7.88 ? 113 HIS A CE1 1 ATOM 241 N NE2 . HIS A 1 32 ? -1.574 2.582 59.076 1.00 8.38 ? 113 HIS A NE2 1 ATOM 242 N N . VAL A 1 33 ? -6.791 4.894 55.861 1.00 7.65 ? 114 VAL A N 1 ATOM 243 C CA . VAL A 1 33 ? -7.865 5.391 55.019 1.00 7.42 ? 114 VAL A CA 1 ATOM 244 C C . VAL A 1 33 ? -8.115 6.849 55.350 1.00 6.87 ? 114 VAL A C 1 ATOM 245 O O . VAL A 1 33 ? -8.177 7.221 56.527 1.00 7.56 ? 114 VAL A O 1 ATOM 246 C CB . VAL A 1 33 ? -9.161 4.597 55.274 1.00 7.33 ? 114 VAL A CB 1 ATOM 247 C CG1 . VAL A 1 33 ? -10.322 5.198 54.490 1.00 8.55 ? 114 VAL A CG1 1 ATOM 248 C CG2 . VAL A 1 33 ? -8.963 3.115 54.931 1.00 8.51 ? 114 VAL A CG2 1 ATOM 249 N N . PHE A 1 34 ? -8.247 7.680 54.321 1.00 6.59 ? 115 PHE A N 1 ATOM 250 C CA . PHE A 1 34 ? -8.491 9.103 54.541 1.00 6.31 ? 115 PHE A CA 1 ATOM 251 C C . PHE A 1 34 ? -9.813 9.358 55.246 1.00 7.09 ? 115 PHE A C 1 ATOM 252 O O . PHE A 1 34 ? -10.811 8.686 54.985 1.00 8.62 ? 115 PHE A O 1 ATOM 253 C CB . PHE A 1 34 ? -8.498 9.867 53.215 1.00 6.96 ? 115 PHE A CB 1 ATOM 254 C CG . PHE A 1 34 ? -7.131 10.171 52.684 1.00 6.75 ? 115 PHE A CG 1 ATOM 255 C CD1 . PHE A 1 34 ? -6.355 11.154 53.274 1.00 7.10 ? 115 PHE A CD1 1 ATOM 256 C CD2 . PHE A 1 34 ? -6.628 9.490 51.582 1.00 8.15 ? 115 PHE A CD2 1 ATOM 257 C CE1 . PHE A 1 34 ? -5.091 11.447 52.790 1.00 8.58 ? 115 PHE A CE1 1 ATOM 258 C CE2 . PHE A 1 34 ? -5.362 9.779 51.090 1.00 8.08 ? 115 PHE A CE2 1 ATOM 259 C CZ . PHE A 1 34 ? -4.592 10.758 51.697 1.00 8.46 ? 115 PHE A CZ 1 ATOM 260 N N . VAL A 1 35 ? -9.808 10.333 56.146 1.00 6.82 ? 116 VAL A N 1 ATOM 261 C CA . VAL A 1 35 ? -11.047 10.973 56.553 1.00 7.40 ? 116 VAL A CA 1 ATOM 262 C C . VAL A 1 35 ? -11.506 11.771 55.343 1.00 8.05 ? 116 VAL A C 1 ATOM 263 O O . VAL A 1 35 ? -10.714 12.504 54.742 1.00 8.19 ? 116 VAL A O 1 ATOM 264 C CB . VAL A 1 35 ? -10.820 11.931 57.730 1.00 7.72 ? 116 VAL A CB 1 ATOM 265 C CG1 . VAL A 1 35 ? -12.131 12.589 58.151 1.00 8.51 ? 116 VAL A CG1 1 ATOM 266 C CG2 . VAL A 1 35 ? -10.187 11.188 58.903 1.00 7.84 ? 116 VAL A CG2 1 ATOM 267 N N . ILE A 1 36 ? -12.771 11.613 54.970 1.00 7.32 ? 117 ILE A N 1 ATOM 268 C CA . ILE A 1 36 ? -13.309 12.290 53.795 1.00 6.96 ? 117 ILE A CA 1 ATOM 269 C C . ILE A 1 36 ? -14.703 12.832 54.063 1.00 8.47 ? 117 ILE A C 1 ATOM 270 O O . ILE A 1 36 ? -15.269 12.624 55.135 1.00 10.21 ? 117 ILE A O 1 ATOM 271 C CB . ILE A 1 36 ? -13.404 11.340 52.564 1.00 7.45 ? 117 ILE A CB 1 ATOM 272 C CG1 . ILE A 1 36 ? -14.491 10.278 52.772 1.00 8.68 ? 117 ILE A CG1 1 ATOM 273 C CG2 . ILE A 1 36 ? -12.062 10.681 52.281 1.00 6.47 ? 117 ILE A CG2 1 ATOM 274 C CD1 . ILE A 1 36 ? -14.908 9.588 51.483 1.00 11.10 ? 117 ILE A CD1 1 ATOM 275 N N . ARG A 1 37 ? -15.229 13.563 53.086 1.00 6.85 ? 118 ARG A N 1 ATOM 276 C CA . ARG A 1 37 ? -16.670 13.718 52.908 1.00 6.80 ? 118 ARG A CA 1 ATOM 277 C C . ARG A 1 37 ? -16.886 14.128 51.463 1.00 6.91 ? 118 ARG A C 1 ATOM 278 O O . ARG A 1 37 ? -15.923 14.258 50.706 1.00 8.19 ? 118 ARG A O 1 ATOM 279 C CB . ARG A 1 37 ? -17.303 14.716 53.892 1.00 6.85 ? 118 ARG A CB 1 ATOM 280 C CG . ARG A 1 37 ? -18.021 14.046 55.074 1.00 7.48 ? 118 ARG A CG 1 ATOM 281 C CD . ARG A 1 37 ? -19.215 14.880 55.547 1.00 7.43 ? 118 ARG A CD 1 ATOM 282 N NE . ARG A 1 37 ? -20.214 14.984 54.490 1.00 7.53 ? 118 ARG A NE 1 ATOM 283 C CZ . ARG A 1 37 ? -21.065 15.995 54.342 1.00 7.76 ? 118 ARG A CZ 1 ATOM 284 N NH1 . ARG A 1 37 ? -21.059 17.017 55.193 1.00 8.23 ? 118 ARG A NH1 1 ATOM 285 N NH2 . ARG A 1 37 ? -21.923 15.982 53.330 1.00 7.80 ? 118 ARG A NH2 1 ATOM 286 N N . GLU A 1 38 ? -18.142 14.303 51.072 1.00 7.00 ? 119 GLU A N 1 ATOM 287 C CA . GLU A 1 38 ? -18.459 14.703 49.704 1.00 7.76 ? 119 GLU A CA 1 ATOM 288 C C . GLU A 1 38 ? -17.839 13.779 48.641 1.00 8.02 ? 119 GLU A C 1 ATOM 289 O O . GLU A 1 38 ? -17.162 14.240 47.716 1.00 7.94 ? 119 GLU A O 1 ATOM 290 C CB . GLU A 1 38 ? -18.044 16.163 49.465 1.00 9.22 ? 119 GLU A CB 1 ATOM 291 C CG . GLU A 1 38 ? -18.737 17.177 50.386 1.00 9.90 ? 119 GLU A CG 1 ATOM 292 C CD . GLU A 1 38 ? -18.061 17.357 51.741 1.00 9.37 ? 119 GLU A CD 1 ATOM 293 O OE1 . GLU A 1 38 ? -16.829 17.170 51.847 1.00 8.72 ? 119 GLU A OE1 1 ATOM 294 O OE2 . GLU A 1 38 ? -18.767 17.713 52.710 1.00 9.29 ? 119 GLU A OE2 1 ATOM 295 N N . PRO A 1 39 ? -18.085 12.465 48.757 1.00 8.85 ? 120 PRO A N 1 ATOM 296 C CA . PRO A 1 39 ? -17.638 11.557 47.701 1.00 8.56 ? 120 PRO A CA 1 ATOM 297 C C . PRO A 1 39 ? -18.538 11.702 46.480 1.00 8.80 ? 120 PRO A C 1 ATOM 298 O O . PRO A 1 39 ? -19.670 12.172 46.604 1.00 8.86 ? 120 PRO A O 1 ATOM 299 C CB . PRO A 1 39 ? -17.857 10.180 48.331 1.00 9.56 ? 120 PRO A CB 1 ATOM 300 C CG . PRO A 1 39 ? -19.077 10.393 49.202 1.00 9.80 ? 120 PRO A CG 1 ATOM 301 C CD . PRO A 1 39 ? -18.849 11.759 49.804 1.00 9.71 ? 120 PRO A CD 1 ATOM 302 N N . PHE A 1 40 ? -18.043 11.314 45.312 1.00 6.80 ? 121 PHE A N 1 ATOM 303 C CA . PHE A 1 40 ? -18.902 11.209 44.133 1.00 6.03 ? 121 PHE A CA 1 ATOM 304 C C . PHE A 1 40 ? -18.265 10.297 43.109 1.00 8.93 ? 121 PHE A C 1 ATOM 305 O O . PHE A 1 40 ? -17.095 9.944 43.238 1.00 11.29 ? 121 PHE A O 1 ATOM 306 C CB . PHE A 1 40 ? -19.255 12.581 43.532 1.00 7.29 ? 121 PHE A CB 1 ATOM 307 C CG . PHE A 1 40 ? -18.079 13.351 42.960 1.00 7.69 ? 121 PHE A CG 1 ATOM 308 C CD1 . PHE A 1 40 ? -17.706 13.198 41.627 1.00 7.72 ? 121 PHE A CD1 1 ATOM 309 C CD2 . PHE A 1 40 ? -17.398 14.279 43.734 1.00 8.51 ? 121 PHE A CD2 1 ATOM 310 C CE1 . PHE A 1 40 ? -16.650 13.932 41.090 1.00 7.55 ? 121 PHE A CE1 1 ATOM 311 C CE2 . PHE A 1 40 ? -16.347 15.013 43.209 1.00 8.51 ? 121 PHE A CE2 1 ATOM 312 C CZ . PHE A 1 40 ? -15.970 14.839 41.883 1.00 8.10 ? 121 PHE A CZ 1 ATOM 313 N N . VAL A 1 41 ? -19.038 9.904 42.104 1.00 7.98 ? 122 VAL A N 1 ATOM 314 C CA . VAL A 1 41 ? -18.540 9.007 41.069 1.00 7.81 ? 122 VAL A CA 1 ATOM 315 C C . VAL A 1 41 ? -18.605 9.688 39.710 1.00 7.33 ? 122 VAL A C 1 ATOM 316 O O . VAL A 1 41 ? -19.554 10.408 39.412 1.00 9.04 ? 122 VAL A O 1 ATOM 317 C CB . VAL A 1 41 ? -19.354 7.694 41.019 1.00 8.37 ? 122 VAL A CB 1 ATOM 318 C CG1 . VAL A 1 41 ? -18.809 6.756 39.934 1.00 8.71 ? 122 VAL A CG1 1 ATOM 319 C CG2 . VAL A 1 41 ? -19.331 7.005 42.379 1.00 9.53 ? 122 VAL A CG2 1 ATOM 320 N N . ALA A 1 42 ? -17.586 9.464 38.889 1.00 8.07 ? 123 ALA A N 1 ATOM 321 C CA . ALA A 1 42 ? -17.608 9.918 37.507 1.00 9.33 ? 123 ALA A CA 1 ATOM 322 C C . ALA A 1 42 ? -16.989 8.834 36.639 1.00 10.53 ? 123 ALA A C 1 ATOM 323 O O . ALA A 1 42 ? -16.112 8.093 37.090 1.00 11.23 ? 123 ALA A O 1 ATOM 324 C CB . ALA A 1 42 ? -16.855 11.231 37.357 1.00 10.57 ? 123 ALA A CB 1 ATOM 325 N N . CYS A 1 43 ? -17.464 8.721 35.405 1.00 11.39 ? 124 CYS A N 1 ATOM 326 C CA . CYS A 1 43 ? -16.995 7.668 34.514 1.00 14.23 ? 124 CYS A CA 1 ATOM 327 C C . CYS A 1 43 ? -16.293 8.208 33.284 1.00 15.93 ? 124 CYS A C 1 ATOM 328 O O . CYS A 1 43 ? -16.775 9.140 32.645 1.00 17.02 ? 124 CYS A O 1 ATOM 329 C CB . CYS A 1 43 ? -18.165 6.795 34.066 1.00 17.07 ? 124 CYS A CB 1 ATOM 330 S SG . CYS A 1 43 ? -18.970 5.938 35.412 1.00 19.37 ? 124 CYS A SG 1 ATOM 331 N N . GLY A 1 44 ? -15.156 7.604 32.958 1.00 16.63 ? 125 GLY A N 1 ATOM 332 C CA . GLY A 1 44 ? -14.510 7.828 31.680 1.00 17.47 ? 125 GLY A CA 1 ATOM 333 C C . GLY A 1 44 ? -14.944 6.750 30.700 1.00 18.43 ? 125 GLY A C 1 ATOM 334 O O . GLY A 1 44 ? -15.836 5.956 30.998 1.00 19.07 ? 125 GLY A O 1 ATOM 335 N N . PRO A 1 45 ? -14.312 6.712 29.521 1.00 19.21 ? 126 PRO A N 1 ATOM 336 C CA . PRO A 1 45 ? -14.674 5.743 28.481 1.00 21.27 ? 126 PRO A CA 1 ATOM 337 C C . PRO A 1 45 ? -14.503 4.292 28.925 1.00 23.49 ? 126 PRO A C 1 ATOM 338 O O . PRO A 1 45 ? -15.215 3.422 28.423 1.00 23.96 ? 126 PRO A O 1 ATOM 339 C CB . PRO A 1 45 ? -13.672 6.039 27.359 1.00 21.64 ? 126 PRO A CB 1 ATOM 340 C CG . PRO A 1 45 ? -13.198 7.420 27.609 1.00 21.68 ? 126 PRO A CG 1 ATOM 341 C CD . PRO A 1 45 ? -13.232 7.615 29.092 1.00 20.47 ? 126 PRO A CD 1 ATOM 342 N N . THR A 1 46 ? -13.574 4.038 29.842 1.00 24.06 ? 127 THR A N 1 ATOM 343 C CA . THR A 1 46 ? -13.203 2.665 30.179 1.00 25.88 ? 127 THR A CA 1 ATOM 344 C C . THR A 1 46 ? -13.184 2.362 31.673 1.00 24.38 ? 127 THR A C 1 ATOM 345 O O . THR A 1 46 ? -12.970 1.216 32.071 1.00 25.73 ? 127 THR A O 1 ATOM 346 C CB . THR A 1 46 ? -11.810 2.323 29.629 1.00 29.03 ? 127 THR A CB 1 ATOM 347 O OG1 . THR A 1 46 ? -10.818 3.057 30.360 1.00 31.67 ? 127 THR A OG1 1 ATOM 348 C CG2 . THR A 1 46 ? -11.718 2.679 28.151 1.00 29.72 ? 127 THR A CG2 1 ATOM 349 N N . GLU A 1 47 ? -13.399 3.377 32.501 1.00 21.56 ? 128 GLU A N 1 ATOM 350 C CA . GLU A 1 47 ? -13.318 3.189 33.944 1.00 20.62 ? 128 GLU A CA 1 ATOM 351 C C . GLU A 1 47 ? -14.200 4.193 34.668 1.00 16.26 ? 128 GLU A C 1 ATOM 352 O O . GLU A 1 47 ? -14.293 5.349 34.249 1.00 16.65 ? 128 GLU A O 1 ATOM 353 C CB . GLU A 1 47 ? -11.867 3.360 34.424 1.00 24.54 ? 128 GLU A CB 1 ATOM 354 C CG . GLU A 1 47 ? -11.691 3.230 35.939 1.00 27.60 ? 128 GLU A CG 1 ATOM 355 C CD . GLU A 1 47 ? -10.278 3.550 36.427 1.00 28.90 ? 128 GLU A CD 1 ATOM 356 O OE1 . GLU A 1 47 ? -9.732 2.748 37.214 1.00 31.07 ? 128 GLU A OE1 1 ATOM 357 O OE2 . GLU A 1 47 ? -9.715 4.601 36.042 1.00 26.03 ? 128 GLU A OE2 1 ATOM 358 N N . CYS A 1 48 ? -14.844 3.754 35.747 1.00 13.50 ? 129 CYS A N 1 ATOM 359 C CA . CYS A 1 48 ? -15.481 4.682 36.677 1.00 13.40 ? 129 CYS A CA 1 ATOM 360 C C . CYS A 1 48 ? -14.609 4.840 37.919 1.00 11.09 ? 129 CYS A C 1 ATOM 361 O O . CYS A 1 48 ? -14.005 3.875 38.383 1.00 10.95 ? 129 CYS A O 1 ATOM 362 C CB . CYS A 1 48 ? -16.875 4.196 37.078 1.00 16.77 ? 129 CYS A CB 1 ATOM 363 S SG . CYS A 1 48 ? -18.066 4.142 35.713 1.00 18.55 ? 129 CYS A SG 1 ATOM 364 N N . ARG A 1 49 ? -14.544 6.057 38.455 1.00 8.91 ? 130 ARG A N 1 ATOM 365 C CA . ARG A 1 49 ? -13.740 6.319 39.644 1.00 8.00 ? 130 ARG A CA 1 ATOM 366 C C . ARG A 1 49 ? -14.541 7.014 40.733 1.00 8.05 ? 130 ARG A C 1 ATOM 367 O O . ARG A 1 49 ? -15.453 7.794 40.446 1.00 9.47 ? 130 ARG A O 1 ATOM 368 C CB . ARG A 1 49 ? -12.517 7.172 39.294 1.00 8.37 ? 130 ARG A CB 1 ATOM 369 C CG . ARG A 1 49 ? -11.571 6.515 38.308 1.00 9.50 ? 130 ARG A CG 1 ATOM 370 C CD . ARG A 1 49 ? -10.348 7.378 38.039 1.00 9.43 ? 130 ARG A CD 1 ATOM 371 N NE . ARG A 1 49 ? -9.483 7.513 39.208 1.00 9.55 ? 130 ARG A NE 1 ATOM 372 C CZ . ARG A 1 49 ? -8.614 6.589 39.613 1.00 9.78 ? 130 ARG A CZ 1 ATOM 373 N NH1 . ARG A 1 49 ? -8.494 5.445 38.952 1.00 10.48 ? 130 ARG A NH1 1 ATOM 374 N NH2 . ARG A 1 49 ? -7.870 6.808 40.687 1.00 10.36 ? 130 ARG A NH2 1 ATOM 375 N N . THR A 1 50 ? -14.200 6.723 41.984 1.00 7.04 ? 131 THR A N 1 ATOM 376 C CA . THR A 1 50 ? -14.760 7.460 43.108 1.00 8.68 ? 131 THR A CA 1 ATOM 377 C C . THR A 1 50 ? -13.853 8.613 43.498 1.00 8.75 ? 131 THR A C 1 ATOM 378 O O . THR A 1 50 ? -12.672 8.419 43.816 1.00 10.61 ? 131 THR A O 1 ATOM 379 C CB . THR A 1 50 ? -14.958 6.569 44.335 1.00 10.68 ? 131 THR A CB 1 ATOM 380 O OG1 . THR A 1 50 ? -15.869 5.514 44.008 1.00 14.92 ? 131 THR A OG1 1 ATOM 381 C CG2 . THR A 1 50 ? -15.531 7.387 45.495 1.00 11.91 ? 131 THR A CG2 1 ATOM 382 N N . PHE A 1 51 ? -14.421 9.813 43.468 1.00 7.41 ? 132 PHE A N 1 ATOM 383 C CA . PHE A 1 51 ? -13.737 11.022 43.889 1.00 6.25 ? 132 PHE A CA 1 ATOM 384 C C . PHE A 1 51 ? -14.175 11.364 45.304 1.00 6.81 ? 132 PHE A C 1 ATOM 385 O O . PHE A 1 51 ? -15.248 10.949 45.741 1.00 8.86 ? 132 PHE A O 1 ATOM 386 C CB . PHE A 1 51 ? -14.079 12.167 42.936 1.00 6.10 ? 132 PHE A CB 1 ATOM 387 C CG . PHE A 1 51 ? -13.460 12.022 41.572 1.00 7.92 ? 132 PHE A CG 1 ATOM 388 C CD1 . PHE A 1 51 ? -14.028 11.188 40.621 1.00 8.60 ? 132 PHE A CD1 1 ATOM 389 C CD2 . PHE A 1 51 ? -12.310 12.722 41.245 1.00 8.25 ? 132 PHE A CD2 1 ATOM 390 C CE1 . PHE A 1 51 ? -13.458 11.052 39.358 1.00 7.73 ? 132 PHE A CE1 1 ATOM 391 C CE2 . PHE A 1 51 ? -11.732 12.595 39.993 1.00 8.73 ? 132 PHE A CE2 1 ATOM 392 C CZ . PHE A 1 51 ? -12.305 11.758 39.043 1.00 8.57 ? 132 PHE A CZ 1 ATOM 393 N N . PHE A 1 52 ? -13.350 12.117 46.025 1.00 6.54 ? 133 PHE A N 1 ATOM 394 C CA . PHE A 1 52 ? -13.694 12.495 47.389 1.00 6.66 ? 133 PHE A CA 1 ATOM 395 C C . PHE A 1 52 ? -12.850 13.660 47.859 1.00 7.61 ? 133 PHE A C 1 ATOM 396 O O . PHE A 1 52 ? -11.761 13.902 47.334 1.00 7.63 ? 133 PHE A O 1 ATOM 397 C CB . PHE A 1 52 ? -13.508 11.303 48.342 1.00 7.23 ? 133 PHE A CB 1 ATOM 398 C CG . PHE A 1 52 ? -12.203 10.568 48.151 1.00 6.82 ? 133 PHE A CG 1 ATOM 399 C CD1 . PHE A 1 52 ? -12.114 9.513 47.250 1.00 7.80 ? 133 PHE A CD1 1 ATOM 400 C CD2 . PHE A 1 52 ? -11.068 10.927 48.869 1.00 7.04 ? 133 PHE A CD2 1 ATOM 401 C CE1 . PHE A 1 52 ? -10.915 8.828 47.060 1.00 7.01 ? 133 PHE A CE1 1 ATOM 402 C CE2 . PHE A 1 52 ? -9.865 10.243 48.687 1.00 6.58 ? 133 PHE A CE2 1 ATOM 403 C CZ . PHE A 1 52 ? -9.794 9.190 47.779 1.00 7.30 ? 133 PHE A CZ 1 ATOM 404 N N . LEU A 1 53 ? -13.366 14.397 48.838 1.00 7.58 ? 134 LEU A N 1 ATOM 405 C CA . LEU A 1 53 ? -12.595 15.456 49.468 1.00 7.60 ? 134 LEU A CA 1 ATOM 406 C C . LEU A 1 53 ? -12.008 14.948 50.769 1.00 7.17 ? 134 LEU A C 1 ATOM 407 O O . LEU A 1 53 ? -12.735 14.719 51.734 1.00 7.29 ? 134 LEU A O 1 ATOM 408 C CB . LEU A 1 53 ? -13.478 16.670 49.752 1.00 7.20 ? 134 LEU A CB 1 ATOM 409 C CG . LEU A 1 53 ? -14.125 17.330 48.536 1.00 7.44 ? 134 LEU A CG 1 ATOM 410 C CD1 . LEU A 1 53 ? -14.966 18.521 48.979 1.00 8.84 ? 134 LEU A CD1 1 ATOM 411 C CD2 . LEU A 1 53 ? -13.069 17.758 47.518 1.00 8.36 ? 134 LEU A CD2 1 ATOM 412 N N . THR A 1 54 ? -10.695 14.771 50.804 1.00 6.72 ? 135 THR A N 1 ATOM 413 C CA . THR A 1 54 ? -10.061 14.353 52.043 1.00 6.53 ? 135 THR A CA 1 ATOM 414 C C . THR A 1 54 ? -10.038 15.504 53.023 1.00 7.21 ? 135 THR A C 1 ATOM 415 O O . THR A 1 54 ? -10.319 16.651 52.670 1.00 8.00 ? 135 THR A O 1 ATOM 416 C CB . THR A 1 54 ? -8.598 13.949 51.835 1.00 6.83 ? 135 THR A CB 1 ATOM 417 O OG1 . THR A 1 54 ? -7.804 15.128 51.624 1.00 8.89 ? 135 THR A OG1 1 ATOM 418 C CG2 . THR A 1 54 ? -8.456 12.995 50.651 1.00 7.07 ? 135 THR A CG2 1 ATOM 419 N N . GLN A 1 55 ? -9.688 15.183 54.260 1.00 7.12 ? 136 GLN A N 1 ATOM 420 C CA . GLN A 1 55 ? -9.370 16.192 55.257 1.00 8.07 ? 136 GLN A CA 1 ATOM 421 C C . GLN A 1 55 ? -7.856 16.231 55.489 1.00 9.42 ? 136 GLN A C 1 ATOM 422 O O . GLN A 1 55 ? -7.390 16.790 56.478 1.00 10.91 ? 136 GLN A O 1 ATOM 423 C CB . GLN A 1 55 ? -10.121 15.903 56.562 1.00 8.83 ? 136 GLN A CB 1 ATOM 424 C CG . GLN A 1 55 ? -11.645 16.007 56.436 1.00 8.35 ? 136 GLN A CG 1 ATOM 425 C CD . GLN A 1 55 ? -12.177 17.421 56.602 1.00 8.69 ? 136 GLN A CD 1 ATOM 426 O OE1 . GLN A 1 55 ? -13.392 17.630 56.731 1.00 11.32 ? 136 GLN A OE1 1 ATOM 427 N NE2 . GLN A 1 55 ? -11.280 18.398 56.607 1.00 7.91 ? 136 GLN A NE2 1 ATOM 428 N N . GLY A 1 56 ? -7.092 15.641 54.568 1.00 7.87 ? 137 GLY A N 1 ATOM 429 C CA . GLY A 1 56 ? -5.643 15.610 54.694 1.00 9.34 ? 137 GLY A CA 1 ATOM 430 C C . GLY A 1 56 ? -5.198 14.915 55.965 1.00 8.73 ? 137 GLY A C 1 ATOM 431 O O . GLY A 1 56 ? -4.179 15.272 56.570 1.00 8.53 ? 137 GLY A O 1 ATOM 432 N N . ALA A 1 57 ? -5.966 13.908 56.362 1.00 8.43 ? 138 ALA A N 1 ATOM 433 C CA . ALA A 1 57 ? -5.718 13.175 57.596 1.00 8.72 ? 138 ALA A CA 1 ATOM 434 C C . ALA A 1 57 ? -6.333 11.788 57.479 1.00 9.22 ? 138 ALA A C 1 ATOM 435 O O . ALA A 1 57 ? -7.230 11.569 56.657 1.00 8.74 ? 138 ALA A O 1 ATOM 436 C CB . ALA A 1 57 ? -6.327 13.921 58.775 1.00 11.79 ? 138 ALA A CB 1 ATOM 437 N N . LEU A 1 58 ? -5.865 10.860 58.307 1.00 8.54 ? 139 LEU A N 1 ATOM 438 C CA . LEU A 1 58 ? -6.351 9.482 58.268 1.00 7.37 ? 139 LEU A CA 1 ATOM 439 C C . LEU A 1 58 ? -7.279 9.154 59.435 1.00 7.30 ? 139 LEU A C 1 ATOM 440 O O . LEU A 1 58 ? -7.170 9.730 60.526 1.00 8.49 ? 139 LEU A O 1 ATOM 441 C CB . LEU A 1 58 ? -5.178 8.500 58.267 1.00 7.67 ? 139 LEU A CB 1 ATOM 442 C CG . LEU A 1 58 ? -4.169 8.623 57.125 1.00 7.12 ? 139 LEU A CG 1 ATOM 443 C CD1 . LEU A 1 58 ? -3.177 7.468 57.184 1.00 8.98 ? 139 LEU A CD1 1 ATOM 444 C CD2 . LEU A 1 58 ? -4.883 8.645 55.776 1.00 8.21 ? 139 LEU A CD2 1 ATOM 445 N N . LEU A 1 59 ? -8.190 8.216 59.199 1.00 7.62 ? 140 LEU A N 1 ATOM 446 C CA . LEU A 1 59 ? -9.073 7.727 60.249 1.00 8.10 ? 140 LEU A CA 1 ATOM 447 C C . LEU A 1 59 ? -8.285 7.137 61.405 1.00 8.21 ? 140 LEU A C 1 ATOM 448 O O . LEU A 1 59 ? -7.247 6.509 61.202 1.00 8.77 ? 140 LEU A O 1 ATOM 449 C CB . LEU A 1 59 ? -10.023 6.667 59.693 1.00 9.09 ? 140 LEU A CB 1 ATOM 450 C CG . LEU A 1 59 ? -11.187 7.173 58.851 1.00 9.29 ? 140 LEU A CG 1 ATOM 451 C CD1 . LEU A 1 59 ? -11.829 6.006 58.106 1.00 9.34 ? 140 LEU A CD1 1 ATOM 452 C CD2 . LEU A 1 59 ? -12.192 7.912 59.731 1.00 10.77 ? 140 LEU A CD2 1 ATOM 453 N N . ASN A 1 60 ? -8.800 7.336 62.615 1.00 7.69 ? 141 ASN A N 1 ATOM 454 C CA . ASN A 1 60 ? -8.163 6.845 63.834 1.00 8.40 ? 141 ASN A CA 1 ATOM 455 C C . ASN A 1 60 ? -6.822 7.503 64.147 1.00 9.54 ? 141 ASN A C 1 ATOM 456 O O . ASN A 1 60 ? -6.033 6.970 64.919 1.00 11.88 ? 141 ASN A O 1 ATOM 457 C CB . ASN A 1 60 ? -8.032 5.316 63.819 1.00 9.12 ? 141 ASN A CB 1 ATOM 458 C CG . ASN A 1 60 ? -8.942 4.649 64.839 1.00 11.22 ? 141 ASN A CG 1 ATOM 459 O OD1 . ASN A 1 60 ? -9.500 5.314 65.716 1.00 13.04 ? 141 ASN A OD1 1 ATOM 460 N ND2 . ASN A 1 60 ? -9.093 3.332 64.733 1.00 12.30 ? 141 ASN A ND2 1 ATOM 461 N N . ASP A 1 61 ? -6.576 8.668 63.553 1.00 9.20 ? 142 ASP A N 1 ATOM 462 C CA . ASP A 1 61 ? -5.394 9.460 63.877 1.00 8.69 ? 142 ASP A CA 1 ATOM 463 C C . ASP A 1 61 ? -5.802 10.782 64.518 1.00 8.33 ? 142 ASP A C 1 ATOM 464 O O . ASP A 1 61 ? -6.901 11.271 64.283 1.00 9.82 ? 142 ASP A O 1 ATOM 465 C CB . ASP A 1 61 ? -4.582 9.750 62.618 1.00 9.02 ? 142 ASP A CB 1 ATOM 466 C CG . ASP A 1 61 ? -3.338 10.555 62.912 1.00 9.93 ? 142 ASP A CG 1 ATOM 467 O OD1 . ASP A 1 61 ? -2.421 10.005 63.559 1.00 11.31 ? 142 ASP A OD1 1 ATOM 468 O OD2 . ASP A 1 61 ? -3.284 11.736 62.509 1.00 10.43 ? 142 ASP A OD2 1 ATOM 469 N N . LYS A 1 62 ? -4.914 11.370 65.314 1.00 9.26 ? 143 LYS A N 1 ATOM 470 C CA . LYS A 1 62 ? -5.239 12.619 66.001 1.00 10.46 ? 143 LYS A CA 1 ATOM 471 C C . LYS A 1 62 ? -5.594 13.760 65.047 1.00 9.90 ? 143 LYS A C 1 ATOM 472 O O . LYS A 1 62 ? -6.323 14.680 65.424 1.00 10.97 ? 143 LYS A O 1 ATOM 473 C CB . LYS A 1 62 ? -4.108 13.051 66.936 1.00 10.55 ? 143 LYS A CB 1 ATOM 474 C CG . LYS A 1 62 ? -2.823 13.426 66.229 1.00 11.08 ? 143 LYS A CG 1 ATOM 475 C CD . LYS A 1 62 ? -1.740 13.748 67.246 1.00 12.97 ? 143 LYS A CD 1 ATOM 476 C CE . LYS A 1 62 ? -0.508 14.352 66.588 1.00 13.92 ? 143 LYS A CE 1 ATOM 477 N NZ . LYS A 1 62 ? 0.483 14.818 67.608 1.00 14.83 ? 143 LYS A NZ 1 ATOM 478 N N . HIS A 1 63 ? -5.091 13.707 63.817 1.00 9.17 ? 144 HIS A N 1 ATOM 479 C CA . HIS A 1 63 ? -5.387 14.767 62.856 1.00 8.19 ? 144 HIS A CA 1 ATOM 480 C C . HIS A 1 63 ? -6.825 14.703 62.347 1.00 9.19 ? 144 HIS A C 1 ATOM 481 O O . HIS A 1 63 ? -7.280 15.604 61.640 1.00 10.53 ? 144 HIS A O 1 ATOM 482 C CB . HIS A 1 63 ? -4.387 14.766 61.696 1.00 7.60 ? 144 HIS A CB 1 ATOM 483 C CG . HIS A 1 63 ? -2.999 15.137 62.107 1.00 8.65 ? 144 HIS A CG 1 ATOM 484 N ND1 . HIS A 1 63 ? -2.095 14.214 62.593 1.00 9.17 ? 144 HIS A ND1 1 ATOM 485 C CD2 . HIS A 1 63 ? -2.363 16.333 62.123 1.00 10.10 ? 144 HIS A CD2 1 ATOM 486 C CE1 . HIS A 1 63 ? -0.960 14.828 62.885 1.00 10.45 ? 144 HIS A CE1 1 ATOM 487 N NE2 . HIS A 1 63 ? -1.095 16.112 62.608 1.00 10.42 ? 144 HIS A NE2 1 ATOM 488 N N . SER A 1 64 ? -7.545 13.648 62.717 1.00 8.52 ? 145 SER A N 1 ATOM 489 C CA . SER A 1 64 ? -8.957 13.545 62.353 1.00 8.38 ? 145 SER A CA 1 ATOM 490 C C . SER A 1 64 ? -9.834 14.376 63.292 1.00 8.55 ? 145 SER A C 1 ATOM 491 O O . SER A 1 64 ? -11.032 14.521 63.066 1.00 8.69 ? 145 SER A O 1 ATOM 492 C CB . SER A 1 64 ? -9.420 12.084 62.331 1.00 8.72 ? 145 SER A CB 1 ATOM 493 O OG . SER A 1 64 ? -9.542 11.553 63.643 1.00 9.00 ? 145 SER A OG 1 ATOM 494 N N . ASN A 1 65 ? -9.231 14.927 64.339 1.00 9.33 ? 146 ASN A N 1 ATOM 495 C CA . ASN A 1 65 ? -9.960 15.782 65.268 1.00 9.50 ? 146 ASN A CA 1 ATOM 496 C C . ASN A 1 65 ? -10.545 16.983 64.532 1.00 9.99 ? 146 ASN A C 1 ATOM 497 O O . ASN A 1 65 ? -9.875 17.585 63.688 1.00 11.27 ? 146 ASN A O 1 ATOM 498 C CB . ASN A 1 65 ? -9.012 16.266 66.366 1.00 12.39 ? 146 ASN A CB 1 ATOM 499 C CG . ASN A 1 65 ? -9.714 16.536 67.678 1.00 17.01 ? 146 ASN A CG 1 ATOM 500 O OD1 . ASN A 1 65 ? -10.940 16.646 67.739 1.00 13.31 ? 146 ASN A OD1 1 ATOM 501 N ND2 . ASN A 1 65 ? -8.922 16.644 68.747 1.00 23.16 ? 146 ASN A ND2 1 ATOM 502 N N A ASN A 1 66 ? -11.791 17.325 64.857 0.52 9.76 ? 147 ASN A N 1 ATOM 503 N N B ASN A 1 66 ? -11.800 17.301 64.835 0.48 10.11 ? 147 ASN A N 1 ATOM 504 C CA A ASN A 1 66 ? -12.485 18.501 64.314 0.52 11.12 ? 147 ASN A CA 1 ATOM 505 C CA B ASN A 1 66 ? -12.456 18.495 64.312 0.48 11.83 ? 147 ASN A CA 1 ATOM 506 C C A ASN A 1 66 ? -12.744 18.465 62.806 0.52 11.18 ? 147 ASN A C 1 ATOM 507 C C B ASN A 1 66 ? -12.693 18.467 62.801 0.48 11.53 ? 147 ASN A C 1 ATOM 508 O O A ASN A 1 66 ? -12.918 19.506 62.174 0.52 11.46 ? 147 ASN A O 1 ATOM 509 O O B ASN A 1 66 ? -12.801 19.514 62.164 0.48 11.87 ? 147 ASN A O 1 ATOM 510 C CB A ASN A 1 66 ? -11.766 19.804 64.695 0.52 12.34 ? 147 ASN A CB 1 ATOM 511 C CB B ASN A 1 66 ? -11.675 19.749 64.721 0.48 13.73 ? 147 ASN A CB 1 ATOM 512 C CG A ASN A 1 66 ? -12.656 21.031 64.535 0.52 14.06 ? 147 ASN A CG 1 ATOM 513 C CG B ASN A 1 66 ? -11.503 19.858 66.226 0.48 15.92 ? 147 ASN A CG 1 ATOM 514 O OD1 A ASN A 1 66 ? -12.177 22.130 64.252 0.52 16.87 ? 147 ASN A OD1 1 ATOM 515 O OD1 B ASN A 1 66 ? -12.482 19.866 66.972 0.48 17.12 ? 147 ASN A OD1 1 ATOM 516 N ND2 A ASN A 1 66 ? -13.959 20.843 64.709 0.52 13.69 ? 147 ASN A ND2 1 ATOM 517 N ND2 B ASN A 1 66 ? -10.257 19.934 66.680 0.48 16.54 ? 147 ASN A ND2 1 ATOM 518 N N . THR A 1 67 ? -12.792 17.267 62.235 1.00 9.96 ? 148 THR A N 1 ATOM 519 C CA . THR A 1 67 ? -13.043 17.125 60.804 1.00 9.59 ? 148 THR A CA 1 ATOM 520 C C . THR A 1 67 ? -14.508 17.320 60.396 1.00 9.39 ? 148 THR A C 1 ATOM 521 O O . THR A 1 67 ? -14.851 17.158 59.229 1.00 9.73 ? 148 THR A O 1 ATOM 522 C CB . THR A 1 67 ? -12.491 15.791 60.248 1.00 8.71 ? 148 THR A CB 1 ATOM 523 O OG1 . THR A 1 67 ? -12.809 14.726 61.152 1.00 8.55 ? 148 THR A OG1 1 ATOM 524 C CG2 . THR A 1 67 ? -10.977 15.886 60.092 1.00 9.21 ? 148 THR A CG2 1 ATOM 525 N N . VAL A 1 68 ? -15.366 17.688 61.343 1.00 10.09 ? 149 VAL A N 1 ATOM 526 C CA . VAL A 1 68 ? -16.714 18.121 60.978 1.00 10.19 ? 149 VAL A CA 1 ATOM 527 C C . VAL A 1 68 ? -16.612 19.423 60.176 1.00 11.04 ? 149 VAL A C 1 ATOM 528 O O . VAL A 1 68 ? -17.498 19.749 59.386 1.00 11.21 ? 149 VAL A O 1 ATOM 529 C CB . VAL A 1 68 ? -17.613 18.343 62.219 1.00 11.16 ? 149 VAL A CB 1 ATOM 530 C CG1 . VAL A 1 68 ? -17.164 19.577 62.993 1.00 12.81 ? 149 VAL A CG1 1 ATOM 531 C CG2 . VAL A 1 68 ? -19.077 18.475 61.803 1.00 12.04 ? 149 VAL A CG2 1 ATOM 532 N N . LYS A 1 69 ? -15.520 20.158 60.380 1.00 10.74 ? 150 LYS A N 1 ATOM 533 C CA . LYS A 1 69 ? -15.310 21.437 59.695 1.00 11.07 ? 150 LYS A CA 1 ATOM 534 C C . LYS A 1 69 ? -15.248 21.273 58.181 1.00 10.48 ? 150 LYS A C 1 ATOM 535 O O . LYS A 1 69 ? -14.629 20.337 57.678 1.00 11.41 ? 150 LYS A O 1 ATOM 536 C CB . LYS A 1 69 ? -14.034 22.119 60.185 1.00 16.32 ? 150 LYS A CB 1 ATOM 537 C CG . LYS A 1 69 ? -14.230 22.993 61.408 1.00 25.47 ? 150 LYS A CG 1 ATOM 538 C CD . LYS A 1 69 ? -13.219 24.134 61.425 1.00 32.11 ? 150 LYS A CD 1 ATOM 539 C CE . LYS A 1 69 ? -13.459 25.118 60.282 1.00 36.47 ? 150 LYS A CE 1 ATOM 540 N NZ . LYS A 1 69 ? -14.733 25.883 60.438 1.00 38.85 ? 150 LYS A NZ 1 ATOM 541 N N . ASP A 1 70 ? -15.867 22.204 57.457 1.00 9.94 ? 151 ASP A N 1 ATOM 542 C CA . ASP A 1 70 ? -16.036 22.058 56.014 1.00 9.42 ? 151 ASP A CA 1 ATOM 543 C C . ASP A 1 70 ? -14.833 22.446 55.163 1.00 8.83 ? 151 ASP A C 1 ATOM 544 O O . ASP A 1 70 ? -14.603 21.852 54.110 1.00 8.63 ? 151 ASP A O 1 ATOM 545 C CB . ASP A 1 70 ? -17.252 22.852 55.536 1.00 8.81 ? 151 ASP A CB 1 ATOM 546 C CG . ASP A 1 70 ? -18.553 22.178 55.888 1.00 11.62 ? 151 ASP A CG 1 ATOM 547 O OD1 . ASP A 1 70 ? -18.716 20.996 55.517 1.00 12.33 ? 151 ASP A OD1 1 ATOM 548 O OD2 . ASP A 1 70 ? -19.405 22.825 56.533 1.00 15.66 ? 151 ASP A OD2 1 ATOM 549 N N . ARG A 1 71 ? -14.083 23.455 55.590 1.00 8.74 ? 152 ARG A N 1 ATOM 550 C CA . ARG A 1 71 ? -13.051 24.002 54.720 1.00 8.03 ? 152 ARG A CA 1 ATOM 551 C C . ARG A 1 71 ? -11.743 24.197 55.469 1.00 9.72 ? 152 ARG A C 1 ATOM 552 O O . ARG A 1 71 ? -11.737 24.640 56.610 1.00 10.45 ? 152 ARG A O 1 ATOM 553 C CB . ARG A 1 71 ? -13.529 25.320 54.087 1.00 8.48 ? 152 ARG A CB 1 ATOM 554 C CG . ARG A 1 71 ? -14.863 25.175 53.338 1.00 7.92 ? 152 ARG A CG 1 ATOM 555 C CD . ARG A 1 71 ? -15.387 26.504 52.793 1.00 7.54 ? 152 ARG A CD 1 ATOM 556 N NE . ARG A 1 71 ? -15.683 27.467 53.857 1.00 9.89 ? 152 ARG A NE 1 ATOM 557 C CZ . ARG A 1 71 ? -16.775 27.439 54.613 1.00 10.73 ? 152 ARG A CZ 1 ATOM 558 N NH1 . ARG A 1 71 ? -17.687 26.489 54.432 1.00 12.06 ? 152 ARG A NH1 1 ATOM 559 N NH2 . ARG A 1 71 ? -16.952 28.356 55.558 1.00 11.92 ? 152 ARG A NH2 1 ATOM 560 N N . SER A 1 72 ? -10.639 23.848 54.819 1.00 8.70 ? 153 SER A N 1 ATOM 561 C CA . SER A 1 72 ? -9.306 24.032 55.390 1.00 8.97 ? 153 SER A CA 1 ATOM 562 C C . SER A 1 72 ? -8.297 23.948 54.253 1.00 8.83 ? 153 SER A C 1 ATOM 563 O O . SER A 1 72 ? -8.644 23.518 53.153 1.00 9.37 ? 153 SER A O 1 ATOM 564 C CB . SER A 1 72 ? -9.000 22.929 56.402 1.00 9.30 ? 153 SER A CB 1 ATOM 565 O OG . SER A 1 72 ? -8.527 21.768 55.735 1.00 10.01 ? 153 SER A OG 1 ATOM 566 N N . PRO A 1 73 ? -7.043 24.349 54.514 1.00 8.55 ? 154 PRO A N 1 ATOM 567 C CA . PRO A 1 73 ? -5.996 24.253 53.489 1.00 9.58 ? 154 PRO A CA 1 ATOM 568 C C . PRO A 1 73 ? -5.529 22.816 53.262 1.00 8.11 ? 154 PRO A C 1 ATOM 569 O O . PRO A 1 73 ? -4.747 22.582 52.343 1.00 9.71 ? 154 PRO A O 1 ATOM 570 C CB . PRO A 1 73 ? -4.840 25.084 54.075 1.00 10.57 ? 154 PRO A CB 1 ATOM 571 C CG . PRO A 1 73 ? -5.443 25.887 55.195 1.00 10.64 ? 154 PRO A CG 1 ATOM 572 C CD . PRO A 1 73 ? -6.584 25.063 55.715 1.00 9.92 ? 154 PRO A CD 1 ATOM 573 N N . TYR A 1 74 ? -6.001 21.875 54.076 1.00 7.64 ? 155 TYR A N 1 ATOM 574 C CA . TYR A 1 74 ? -5.513 20.495 54.014 1.00 7.41 ? 155 TYR A CA 1 ATOM 575 C C . TYR A 1 74 ? -6.420 19.576 53.202 1.00 8.90 ? 155 TYR A C 1 ATOM 576 O O . TYR A 1 74 ? -6.067 18.423 52.947 1.00 10.79 ? 155 TYR A O 1 ATOM 577 C CB . TYR A 1 74 ? -5.325 19.925 55.427 1.00 7.68 ? 155 TYR A CB 1 ATOM 578 C CG . TYR A 1 74 ? -4.794 20.962 56.381 1.00 8.03 ? 155 TYR A CG 1 ATOM 579 C CD1 . TYR A 1 74 ? -3.555 21.552 56.173 1.00 7.98 ? 155 TYR A CD1 1 ATOM 580 C CD2 . TYR A 1 74 ? -5.550 21.386 57.462 1.00 9.69 ? 155 TYR A CD2 1 ATOM 581 C CE1 . TYR A 1 74 ? -3.078 22.527 57.025 1.00 9.84 ? 155 TYR A CE1 1 ATOM 582 C CE2 . TYR A 1 74 ? -5.079 22.354 58.324 1.00 11.55 ? 155 TYR A CE2 1 ATOM 583 C CZ . TYR A 1 74 ? -3.843 22.920 58.102 1.00 12.55 ? 155 TYR A CZ 1 ATOM 584 O OH . TYR A 1 74 ? -3.381 23.888 58.965 1.00 17.01 ? 155 TYR A OH 1 ATOM 585 N N . ARG A 1 75 ? -7.585 20.074 52.794 1.00 8.33 ? 156 ARG A N 1 ATOM 586 C CA . ARG A 1 75 ? -8.498 19.243 52.013 1.00 6.46 ? 156 ARG A CA 1 ATOM 587 C C . ARG A 1 75 ? -8.044 19.154 50.557 1.00 6.52 ? 156 ARG A C 1 ATOM 588 O O . ARG A 1 75 ? -7.583 20.139 49.972 1.00 7.41 ? 156 ARG A O 1 ATOM 589 C CB . ARG A 1 75 ? -9.937 19.756 52.104 1.00 7.18 ? 156 ARG A CB 1 ATOM 590 C CG . ARG A 1 75 ? -10.438 19.895 53.533 1.00 7.18 ? 156 ARG A CG 1 ATOM 591 C CD . ARG A 1 75 ? -11.968 19.827 53.604 1.00 7.67 ? 156 ARG A CD 1 ATOM 592 N NE . ARG A 1 75 ? -12.468 18.480 53.321 1.00 7.24 ? 156 ARG A NE 1 ATOM 593 C CZ . ARG A 1 75 ? -13.749 18.128 53.396 1.00 8.30 ? 156 ARG A CZ 1 ATOM 594 N NH1 . ARG A 1 75 ? -14.667 19.024 53.732 1.00 8.33 ? 156 ARG A NH1 1 ATOM 595 N NH2 . ARG A 1 75 ? -14.118 16.880 53.134 1.00 8.91 ? 156 ARG A NH2 1 ATOM 596 N N . ALA A 1 76 ? -8.173 17.963 49.983 1.00 6.73 ? 157 ALA A N 1 ATOM 597 C CA . ALA A 1 76 ? -7.804 17.731 48.597 1.00 7.10 ? 157 ALA A CA 1 ATOM 598 C C . ALA A 1 76 ? -8.825 16.831 47.927 1.00 7.55 ? 157 ALA A C 1 ATOM 599 O O . ALA A 1 76 ? -9.390 15.930 48.557 1.00 8.74 ? 157 ALA A O 1 ATOM 600 C CB . ALA A 1 76 ? -6.422 17.093 48.513 1.00 9.81 ? 157 ALA A CB 1 ATOM 601 N N . LEU A 1 77 ? -9.057 17.083 46.645 1.00 7.48 ? 158 LEU A N 1 ATOM 602 C CA . LEU A 1 77 ? -9.799 16.157 45.812 1.00 6.55 ? 158 LEU A CA 1 ATOM 603 C C . LEU A 1 77 ? -8.860 15.038 45.382 1.00 6.86 ? 158 LEU A C 1 ATOM 604 O O . LEU A 1 77 ? -7.797 15.302 44.810 1.00 7.88 ? 158 LEU A O 1 ATOM 605 C CB . LEU A 1 77 ? -10.334 16.873 44.575 1.00 6.10 ? 158 LEU A CB 1 ATOM 606 C CG . LEU A 1 77 ? -11.155 16.021 43.606 1.00 6.45 ? 158 LEU A CG 1 ATOM 607 C CD1 . LEU A 1 77 ? -12.499 15.647 44.224 1.00 7.53 ? 158 LEU A CD1 1 ATOM 608 C CD2 . LEU A 1 77 ? -11.362 16.760 42.288 1.00 7.33 ? 158 LEU A CD2 1 ATOM 609 N N . MET A 1 78 ? -9.241 13.795 45.666 1.00 6.88 ? 159 MET A N 1 ATOM 610 C CA . MET A 1 78 ? -8.492 12.636 45.185 1.00 7.08 ? 159 MET A CA 1 ATOM 611 C C . MET A 1 78 ? -9.468 11.617 44.624 1.00 7.56 ? 159 MET A C 1 ATOM 612 O O . MET A 1 78 ? -10.683 11.788 44.741 1.00 8.96 ? 159 MET A O 1 ATOM 613 C CB . MET A 1 78 ? -7.664 12.004 46.305 1.00 8.01 ? 159 MET A CB 1 ATOM 614 C CG . MET A 1 78 ? -6.823 12.991 47.099 1.00 8.57 ? 159 MET A CG 1 ATOM 615 S SD . MET A 1 78 ? -5.777 12.150 48.300 1.00 10.76 ? 159 MET A SD 1 ATOM 616 C CE . MET A 1 78 ? -4.356 11.756 47.290 1.00 15.00 ? 159 MET A CE 1 ATOM 617 N N . SER A 1 79 ? -8.948 10.560 44.008 1.00 6.88 ? 160 SER A N 1 ATOM 618 C CA . SER A 1 79 ? -9.822 9.522 43.468 1.00 6.98 ? 160 SER A CA 1 ATOM 619 C C . SER A 1 79 ? -9.226 8.128 43.604 1.00 6.70 ? 160 SER A C 1 ATOM 620 O O . SER A 1 79 ? -8.011 7.961 43.740 1.00 7.67 ? 160 SER A O 1 ATOM 621 C CB . SER A 1 79 ? -10.162 9.799 42.000 1.00 7.80 ? 160 SER A CB 1 ATOM 622 O OG . SER A 1 79 ? -9.023 9.631 41.168 1.00 8.97 ? 160 SER A OG 1 ATOM 623 N N . VAL A 1 80 ? -10.104 7.131 43.586 1.00 7.46 ? 161 VAL A N 1 ATOM 624 C CA . VAL A 1 80 ? -9.699 5.732 43.553 1.00 6.32 ? 161 VAL A CA 1 ATOM 625 C C . VAL A 1 80 ? -10.596 5.003 42.561 1.00 7.77 ? 161 VAL A C 1 ATOM 626 O O . VAL A 1 80 ? -11.646 5.516 42.179 1.00 9.41 ? 161 VAL A O 1 ATOM 627 C CB . VAL A 1 80 ? -9.821 5.055 44.944 1.00 8.28 ? 161 VAL A CB 1 ATOM 628 C CG1 . VAL A 1 80 ? -8.816 5.637 45.932 1.00 9.12 ? 161 VAL A CG1 1 ATOM 629 C CG2 . VAL A 1 80 ? -11.241 5.172 45.483 1.00 7.47 ? 161 VAL A CG2 1 ATOM 630 N N . PRO A 1 81 ? -10.195 3.800 42.135 1.00 8.16 ? 162 PRO A N 1 ATOM 631 C CA . PRO A 1 81 ? -11.136 3.043 41.299 1.00 9.04 ? 162 PRO A CA 1 ATOM 632 C C . PRO A 1 81 ? -12.450 2.782 42.037 1.00 8.85 ? 162 PRO A C 1 ATOM 633 O O . PRO A 1 81 ? -12.468 2.642 43.263 1.00 9.32 ? 162 PRO A O 1 ATOM 634 C CB . PRO A 1 81 ? -10.404 1.724 41.051 1.00 10.46 ? 162 PRO A CB 1 ATOM 635 C CG . PRO A 1 81 ? -8.952 2.058 41.230 1.00 11.39 ? 162 PRO A CG 1 ATOM 636 C CD . PRO A 1 81 ? -8.915 3.098 42.318 1.00 10.02 ? 162 PRO A CD 1 ATOM 637 N N . LEU A 1 82 ? -13.542 2.709 41.287 1.00 9.58 ? 163 LEU A N 1 ATOM 638 C CA . LEU A 1 82 ? -14.860 2.520 41.879 1.00 10.95 ? 163 LEU A CA 1 ATOM 639 C C . LEU A 1 82 ? -14.905 1.301 42.797 1.00 10.73 ? 163 LEU A C 1 ATOM 640 O O . LEU A 1 82 ? -14.561 0.191 42.387 1.00 12.23 ? 163 LEU A O 1 ATOM 641 C CB . LEU A 1 82 ? -15.914 2.384 40.784 1.00 12.42 ? 163 LEU A CB 1 ATOM 642 C CG . LEU A 1 82 ? -17.345 2.152 41.270 1.00 14.60 ? 163 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 82 ? -17.810 3.338 42.092 1.00 14.48 ? 163 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 82 ? -18.282 1.914 40.096 1.00 17.03 ? 163 LEU A CD2 1 ATOM 645 N N . GLY A 1 83 ? -15.322 1.510 44.041 1.00 10.52 ? 164 GLY A N 1 ATOM 646 C CA . GLY A 1 83 ? -15.440 0.414 44.985 1.00 10.56 ? 164 GLY A CA 1 ATOM 647 C C . GLY A 1 83 ? -14.297 0.313 45.975 1.00 9.54 ? 164 GLY A C 1 ATOM 648 O O . GLY A 1 83 ? -14.424 -0.353 46.999 1.00 11.39 ? 164 GLY A O 1 ATOM 649 N N . SER A 1 84 A -13.176 0.956 45.671 1.00 9.82 ? 164 SER A N 1 ATOM 650 C CA . SER A 1 84 A -12.038 0.968 46.586 1.00 10.57 ? 164 SER A CA 1 ATOM 651 C C . SER A 1 84 A -12.288 1.916 47.753 1.00 11.22 ? 164 SER A C 1 ATOM 652 O O . SER A 1 84 A -13.002 2.910 47.613 1.00 12.19 ? 164 SER A O 1 ATOM 653 C CB . SER A 1 84 A -10.760 1.396 45.856 1.00 10.48 ? 164 SER A CB 1 ATOM 654 O OG . SER A 1 84 A -10.291 0.375 44.992 1.00 11.45 ? 164 SER A OG 1 ATOM 655 N N . SER A 1 85 ? -11.697 1.604 48.903 1.00 10.07 ? 165 SER A N 1 ATOM 656 C CA . SER A 1 85 ? -11.684 2.540 50.019 1.00 8.68 ? 165 SER A CA 1 ATOM 657 C C . SER A 1 85 ? -10.852 3.758 49.613 1.00 9.36 ? 165 SER A C 1 ATOM 658 O O . SER A 1 85 ? -9.979 3.655 48.749 1.00 8.47 ? 165 SER A O 1 ATOM 659 C CB . SER A 1 85 ? -11.100 1.878 51.270 1.00 8.94 ? 165 SER A CB 1 ATOM 660 O OG . SER A 1 85 ? -9.730 1.552 51.092 1.00 10.59 ? 165 SER A OG 1 ATOM 661 N N . PRO A 1 86 ? -11.143 4.926 50.204 1.00 8.59 ? 166 PRO A N 1 ATOM 662 C CA . PRO A 1 86 ? -10.348 6.121 49.890 1.00 8.94 ? 166 PRO A CA 1 ATOM 663 C C . PRO A 1 86 ? -9.051 6.093 50.685 1.00 8.99 ? 166 PRO A C 1 ATOM 664 O O . PRO A 1 86 ? -8.850 6.908 51.590 1.00 9.29 ? 166 PRO A O 1 ATOM 665 C CB . PRO A 1 86 ? -11.241 7.270 50.359 1.00 9.40 ? 166 PRO A CB 1 ATOM 666 C CG . PRO A 1 86 ? -12.099 6.674 51.436 1.00 8.68 ? 166 PRO A CG 1 ATOM 667 C CD . PRO A 1 86 ? -12.284 5.218 51.092 1.00 9.05 ? 166 PRO A CD 1 ATOM 668 N N . ASN A 1 87 ? -8.178 5.152 50.348 1.00 8.95 ? 167 ASN A N 1 ATOM 669 C CA . ASN A 1 87 ? -7.024 4.867 51.197 1.00 8.11 ? 167 ASN A CA 1 ATOM 670 C C . ASN A 1 87 ? -5.733 5.586 50.813 1.00 7.91 ? 167 ASN A C 1 ATOM 671 O O . ASN A 1 87 ? -5.607 6.140 49.721 1.00 8.73 ? 167 ASN A O 1 ATOM 672 C CB . ASN A 1 87 ? -6.796 3.356 51.315 1.00 8.62 ? 167 ASN A CB 1 ATOM 673 C CG . ASN A 1 87 ? -6.342 2.731 50.019 1.00 9.42 ? 167 ASN A CG 1 ATOM 674 O OD1 . ASN A 1 87 ? -5.205 2.927 49.592 1.00 9.51 ? 167 ASN A OD1 1 ATOM 675 N ND2 . ASN A 1 87 ? -7.230 1.969 49.382 1.00 9.54 ? 167 ASN A ND2 1 ATOM 676 N N . ALA A 1 88 ? -4.775 5.567 51.730 1.00 7.90 ? 168 ALA A N 1 ATOM 677 C CA . ALA A 1 88 ? -3.566 6.377 51.606 1.00 8.43 ? 168 ALA A CA 1 ATOM 678 C C . ALA A 1 88 ? -2.656 5.968 50.455 1.00 9.04 ? 168 ALA A C 1 ATOM 679 O O . ALA A 1 88 ? -1.804 6.753 50.034 1.00 10.90 ? 168 ALA A O 1 ATOM 680 C CB . ALA A 1 88 ? -2.788 6.353 52.916 1.00 9.35 ? 168 ALA A CB 1 ATOM 681 N N . TYR A 1 89 ? -2.827 4.755 49.936 1.00 8.18 ? 169 TYR A N 1 ATOM 682 C CA . TYR A 1 89 ? -1.838 4.220 49.000 1.00 7.59 ? 169 TYR A CA 1 ATOM 683 C C . TYR A 1 89 ? -2.376 4.003 47.592 1.00 8.99 ? 169 TYR A C 1 ATOM 684 O O . TYR A 1 89 ? -1.601 3.880 46.648 1.00 12.15 ? 169 TYR A O 1 ATOM 685 C CB . TYR A 1 89 ? -1.194 2.947 49.569 1.00 7.28 ? 169 TYR A CB 1 ATOM 686 C CG . TYR A 1 89 ? -0.757 3.143 51.006 1.00 8.02 ? 169 TYR A CG 1 ATOM 687 C CD1 . TYR A 1 89 ? 0.133 4.156 51.344 1.00 8.81 ? 169 TYR A CD1 1 ATOM 688 C CD2 . TYR A 1 89 ? -1.266 2.348 52.030 1.00 7.64 ? 169 TYR A CD2 1 ATOM 689 C CE1 . TYR A 1 89 ? 0.522 4.361 52.655 1.00 9.39 ? 169 TYR A CE1 1 ATOM 690 C CE2 . TYR A 1 89 ? -0.882 2.543 53.348 1.00 8.09 ? 169 TYR A CE2 1 ATOM 691 C CZ . TYR A 1 89 ? 0.008 3.553 53.652 1.00 8.64 ? 169 TYR A CZ 1 ATOM 692 O OH . TYR A 1 89 ? 0.388 3.754 54.955 1.00 9.46 ? 169 TYR A OH 1 ATOM 693 N N . GLN A 1 90 ? -3.700 3.970 47.449 1.00 8.46 ? 170 GLN A N 1 ATOM 694 C CA . GLN A 1 90 ? -4.314 3.896 46.123 1.00 8.41 ? 170 GLN A CA 1 ATOM 695 C C . GLN A 1 90 ? -4.781 5.265 45.641 1.00 8.12 ? 170 GLN A C 1 ATOM 696 O O . GLN A 1 90 ? -4.964 5.472 44.446 1.00 11.21 ? 170 GLN A O 1 ATOM 697 C CB . GLN A 1 90 ? -5.503 2.932 46.113 1.00 10.39 ? 170 GLN A CB 1 ATOM 698 C CG . GLN A 1 90 ? -5.132 1.465 46.235 1.00 11.36 ? 170 GLN A CG 1 ATOM 699 C CD . GLN A 1 90 ? -6.342 0.564 46.092 1.00 15.19 ? 170 GLN A CD 1 ATOM 700 O OE1 . GLN A 1 90 ? -7.114 0.388 47.030 1.00 14.01 ? 170 GLN A OE1 1 ATOM 701 N NE2 . GLN A 1 90 ? -6.522 0.002 44.904 1.00 20.75 ? 170 GLN A NE2 1 ATOM 702 N N . ALA A 1 91 ? -4.985 6.195 46.569 1.00 8.69 ? 171 ALA A N 1 ATOM 703 C CA . ALA A 1 91 ? -5.547 7.496 46.212 1.00 8.23 ? 171 ALA A CA 1 ATOM 704 C C . ALA A 1 91 ? -4.697 8.230 45.189 1.00 8.34 ? 171 ALA A C 1 ATOM 705 O O . ALA A 1 91 ? -3.475 8.339 45.340 1.00 11.63 ? 171 ALA A O 1 ATOM 706 C CB . ALA A 1 91 ? -5.736 8.359 47.447 1.00 9.50 ? 171 ALA A CB 1 ATOM 707 N N . LYS A 1 92 ? -5.355 8.728 44.147 1.00 7.23 ? 172 LYS A N 1 ATOM 708 C CA . LYS A 1 92 ? -4.714 9.565 43.143 1.00 7.74 ? 172 LYS A CA 1 ATOM 709 C C . LYS A 1 92 ? -5.033 11.029 43.427 1.00 7.57 ? 172 LYS A C 1 ATOM 710 O O . LYS A 1 92 ? -6.199 11.401 43.520 1.00 8.65 ? 172 LYS A O 1 ATOM 711 C CB . LYS A 1 92 ? -5.226 9.191 41.753 1.00 8.74 ? 172 LYS A CB 1 ATOM 712 C CG . LYS A 1 92 ? -4.694 10.073 40.645 1.00 11.94 ? 172 LYS A CG 1 ATOM 713 C CD . LYS A 1 92 ? -5.300 9.682 39.309 1.00 16.56 ? 172 LYS A CD 1 ATOM 714 C CE . LYS A 1 92 ? -4.903 10.661 38.224 1.00 21.78 ? 172 LYS A CE 1 ATOM 715 N NZ . LYS A 1 92 ? -5.624 10.362 36.958 1.00 25.13 ? 172 LYS A NZ 1 ATOM 716 N N . PHE A 1 93 ? -4.004 11.859 43.570 1.00 7.38 ? 173 PHE A N 1 ATOM 717 C CA . PHE A 1 93 ? -4.231 13.276 43.829 1.00 7.62 ? 173 PHE A CA 1 ATOM 718 C C . PHE A 1 93 ? -4.797 13.968 42.590 1.00 9.19 ? 173 PHE A C 1 ATOM 719 O O . PHE A 1 93 ? -4.230 13.843 41.502 1.00 10.75 ? 173 PHE A O 1 ATOM 720 C CB . PHE A 1 93 ? -2.938 13.974 44.253 1.00 9.45 ? 173 PHE A CB 1 ATOM 721 C CG . PHE A 1 93 ? -3.148 15.395 44.660 1.00 9.47 ? 173 PHE A CG 1 ATOM 722 C CD1 . PHE A 1 93 ? -3.346 15.721 45.989 1.00 9.47 ? 173 PHE A CD1 1 ATOM 723 C CD2 . PHE A 1 93 ? -3.191 16.405 43.709 1.00 11.11 ? 173 PHE A CD2 1 ATOM 724 C CE1 . PHE A 1 93 ? -3.566 17.031 46.369 1.00 10.04 ? 173 PHE A CE1 1 ATOM 725 C CE2 . PHE A 1 93 ? -3.414 17.719 44.084 1.00 10.66 ? 173 PHE A CE2 1 ATOM 726 C CZ . PHE A 1 93 ? -3.601 18.031 45.417 1.00 10.48 ? 173 PHE A CZ 1 ATOM 727 N N . GLU A 1 94 ? -5.898 14.706 42.761 1.00 7.85 ? 174 GLU A N 1 ATOM 728 C CA . GLU A 1 94 ? -6.540 15.415 41.645 1.00 7.99 ? 174 GLU A CA 1 ATOM 729 C C . GLU A 1 94 ? -6.406 16.940 41.723 1.00 8.71 ? 174 GLU A C 1 ATOM 730 O O . GLU A 1 94 ? -6.065 17.591 40.730 1.00 9.77 ? 174 GLU A O 1 ATOM 731 C CB . GLU A 1 94 ? -8.023 15.034 41.534 1.00 9.06 ? 174 GLU A CB 1 ATOM 732 C CG . GLU A 1 94 ? -8.284 13.536 41.420 1.00 9.75 ? 174 GLU A CG 1 ATOM 733 C CD . GLU A 1 94 ? -8.000 12.977 40.035 1.00 10.82 ? 174 GLU A CD 1 ATOM 734 O OE1 . GLU A 1 94 ? -7.643 13.758 39.122 1.00 13.25 ? 174 GLU A OE1 1 ATOM 735 O OE2 . GLU A 1 94 ? -8.136 11.747 39.861 1.00 11.86 ? 174 GLU A OE2 1 ATOM 736 N N . SER A 1 95 ? -6.683 17.510 42.894 1.00 7.99 ? 175 SER A N 1 ATOM 737 C CA . SER A 1 95 ? -6.660 18.961 43.059 1.00 8.75 ? 175 SER A CA 1 ATOM 738 C C . SER A 1 95 ? -6.652 19.325 44.534 1.00 8.50 ? 175 SER A C 1 ATOM 739 O O . SER A 1 95 ? -7.142 18.565 45.362 1.00 8.39 ? 175 SER A O 1 ATOM 740 C CB . SER A 1 95 ? -7.900 19.585 42.403 1.00 9.49 ? 175 SER A CB 1 ATOM 741 O OG . SER A 1 95 ? -7.890 21.005 42.500 1.00 7.91 ? 175 SER A OG 1 ATOM 742 N N . VAL A 1 96 ? -6.092 20.481 44.870 1.00 7.65 ? 176 VAL A N 1 ATOM 743 C CA . VAL A 1 96 ? -6.352 21.038 46.189 1.00 7.80 ? 176 VAL A CA 1 ATOM 744 C C . VAL A 1 96 ? -7.819 21.462 46.144 1.00 8.34 ? 176 VAL A C 1 ATOM 745 O O . VAL A 1 96 ? -8.260 22.057 45.157 1.00 9.80 ? 176 VAL A O 1 ATOM 746 C CB . VAL A 1 96 ? -5.423 22.233 46.514 1.00 8.57 ? 176 VAL A CB 1 ATOM 747 C CG1 . VAL A 1 96 ? -5.729 22.791 47.904 1.00 8.72 ? 176 VAL A CG1 1 ATOM 748 C CG2 . VAL A 1 96 ? -3.949 21.814 46.415 1.00 8.51 ? 176 VAL A CG2 1 ATOM 749 N N . ALA A 1 97 ? -8.592 21.139 47.176 1.00 7.19 ? 177 ALA A N 1 ATOM 750 C CA . ALA A 1 97 ? -10.033 21.399 47.100 1.00 7.99 ? 177 ALA A CA 1 ATOM 751 C C . ALA A 1 97 ? -10.782 21.197 48.400 1.00 7.72 ? 177 ALA A C 1 ATOM 752 O O . ALA A 1 97 ? -10.616 20.173 49.063 1.00 8.55 ? 177 ALA A O 1 ATOM 753 C CB . ALA A 1 97 ? -10.667 20.520 46.026 1.00 7.42 ? 177 ALA A CB 1 ATOM 754 N N . TRP A 1 98 ? -11.633 22.165 48.739 1.00 7.31 ? 178 TRP A N 1 ATOM 755 C CA . TRP A 1 98 ? -12.685 21.931 49.725 1.00 6.82 ? 178 TRP A CA 1 ATOM 756 C C . TRP A 1 98 ? -14.079 21.941 49.082 1.00 7.54 ? 178 TRP A C 1 ATOM 757 O O . TRP A 1 98 ? -15.091 21.799 49.762 1.00 7.15 ? 178 TRP A O 1 ATOM 758 C CB . TRP A 1 98 ? -12.582 22.857 50.954 1.00 7.66 ? 178 TRP A CB 1 ATOM 759 C CG . TRP A 1 98 ? -12.280 24.323 50.726 1.00 7.64 ? 178 TRP A CG 1 ATOM 760 C CD1 . TRP A 1 98 ? -11.129 24.982 51.069 1.00 7.35 ? 178 TRP A CD1 1 ATOM 761 C CD2 . TRP A 1 98 ? -13.157 25.315 50.174 1.00 7.70 ? 178 TRP A CD2 1 ATOM 762 N NE1 . TRP A 1 98 ? -11.229 26.319 50.745 1.00 7.10 ? 178 TRP A NE1 1 ATOM 763 C CE2 . TRP A 1 98 ? -12.463 26.548 50.194 1.00 7.45 ? 178 TRP A CE2 1 ATOM 764 C CE3 . TRP A 1 98 ? -14.456 25.280 49.652 1.00 7.75 ? 178 TRP A CE3 1 ATOM 765 C CZ2 . TRP A 1 98 ? -13.024 27.733 49.714 1.00 6.78 ? 178 TRP A CZ2 1 ATOM 766 C CZ3 . TRP A 1 98 ? -15.014 26.461 49.177 1.00 7.36 ? 178 TRP A CZ3 1 ATOM 767 C CH2 . TRP A 1 98 ? -14.297 27.670 49.211 1.00 7.40 ? 178 TRP A CH2 1 ATOM 768 N N . SER A 1 99 ? -14.106 22.085 47.758 1.00 6.63 ? 179 SER A N 1 ATOM 769 C CA . SER A 1 99 ? -15.323 21.913 46.958 1.00 6.90 ? 179 SER A CA 1 ATOM 770 C C . SER A 1 99 ? -14.855 21.545 45.554 1.00 6.79 ? 179 SER A C 1 ATOM 771 O O . SER A 1 99 ? -13.830 22.051 45.095 1.00 8.70 ? 179 SER A O 1 ATOM 772 C CB . SER A 1 99 ? -16.152 23.197 46.931 1.00 7.33 ? 179 SER A CB 1 ATOM 773 O OG . SER A 1 99 ? -17.332 23.031 46.149 1.00 7.70 ? 179 SER A OG 1 ATOM 774 N N . ALA A 1 100 ? -15.576 20.663 44.872 1.00 6.16 ? 180 ALA A N 1 ATOM 775 C CA . ALA A 1 100 ? -15.047 20.122 43.622 1.00 5.95 ? 180 ALA A CA 1 ATOM 776 C C . ALA A 1 100 ? -16.084 19.532 42.681 1.00 6.61 ? 180 ALA A C 1 ATOM 777 O O . ALA A 1 100 ? -17.218 19.257 43.068 1.00 6.91 ? 180 ALA A O 1 ATOM 778 C CB . ALA A 1 100 ? -13.972 19.069 43.924 1.00 8.55 ? 180 ALA A CB 1 ATOM 779 N N . THR A 1 101 ? -15.665 19.346 41.434 1.00 6.97 ? 181 THR A N 1 ATOM 780 C CA . THR A 1 101 ? -16.404 18.552 40.460 1.00 8.49 ? 181 THR A CA 1 ATOM 781 C C . THR A 1 101 ? -15.365 17.934 39.526 1.00 9.16 ? 181 THR A C 1 ATOM 782 O O . THR A 1 101 ? -14.251 18.449 39.418 1.00 10.54 ? 181 THR A O 1 ATOM 783 C CB . THR A 1 101 ? -17.420 19.417 39.663 1.00 7.23 ? 181 THR A CB 1 ATOM 784 O OG1 . THR A 1 101 ? -18.140 18.595 38.730 1.00 9.12 ? 181 THR A OG1 1 ATOM 785 C CG2 . THR A 1 101 ? -16.715 20.545 38.924 1.00 8.13 ? 181 THR A CG2 1 ATOM 786 N N . ALA A 1 102 ? -15.708 16.821 38.884 1.00 8.11 ? 182 ALA A N 1 ATOM 787 C CA . ALA A 1 102 ? -14.791 16.154 37.959 1.00 7.70 ? 182 ALA A CA 1 ATOM 788 C C . ALA A 1 102 ? -15.576 15.333 36.952 1.00 7.48 ? 182 ALA A C 1 ATOM 789 O O . ALA A 1 102 ? -16.696 14.903 37.229 1.00 8.83 ? 182 ALA A O 1 ATOM 790 C CB . ALA A 1 102 ? -13.804 15.262 38.715 1.00 8.34 ? 182 ALA A CB 1 ATOM 791 N N . CYS A 1 103 ? -14.985 15.130 35.779 1.00 8.38 ? 183 CYS A N 1 ATOM 792 C CA . CYS A 1 103 ? -15.608 14.355 34.713 1.00 8.20 ? 183 CYS A CA 1 ATOM 793 C C . CYS A 1 103 ? -14.571 14.051 33.642 1.00 9.32 ? 183 CYS A C 1 ATOM 794 O O . CYS A 1 103 ? -13.452 14.565 33.694 1.00 12.01 ? 183 CYS A O 1 ATOM 795 C CB . CYS A 1 103 ? -16.814 15.095 34.115 1.00 8.79 ? 183 CYS A CB 1 ATOM 796 S SG . CYS A 1 103 ? -16.549 16.851 33.720 1.00 13.13 ? 183 CYS A SG 1 ATOM 797 N N . HIS A 1 104 ? -14.937 13.214 32.678 1.00 8.62 ? 184 HIS A N 1 ATOM 798 C CA . HIS A 1 104 ? -13.995 12.785 31.653 1.00 9.71 ? 184 HIS A CA 1 ATOM 799 C C . HIS A 1 104 ? -14.590 13.078 30.282 1.00 11.00 ? 184 HIS A C 1 ATOM 800 O O . HIS A 1 104 ? -15.747 12.738 30.020 1.00 12.54 ? 184 HIS A O 1 ATOM 801 C CB . HIS A 1 104 ? -13.730 11.287 31.806 1.00 9.96 ? 184 HIS A CB 1 ATOM 802 C CG . HIS A 1 104 ? -12.503 10.806 31.100 1.00 11.43 ? 184 HIS A CG 1 ATOM 803 N ND1 . HIS A 1 104 ? -12.408 10.740 29.726 1.00 12.05 ? 184 HIS A ND1 1 ATOM 804 C CD2 . HIS A 1 104 ? -11.322 10.351 31.581 1.00 11.23 ? 184 HIS A CD2 1 ATOM 805 C CE1 . HIS A 1 104 ? -11.218 10.272 29.392 1.00 10.89 ? 184 HIS A CE1 1 ATOM 806 N NE2 . HIS A 1 104 ? -10.541 10.023 30.499 1.00 10.98 ? 184 HIS A NE2 1 ATOM 807 N N . ASP A 1 105 ? -13.815 13.708 29.402 1.00 11.03 ? 185 ASP A N 1 ATOM 808 C CA . ASP A 1 105 ? -14.368 14.110 28.103 1.00 10.93 ? 185 ASP A CA 1 ATOM 809 C C . ASP A 1 105 ? -14.179 13.069 27.005 1.00 10.09 ? 185 ASP A C 1 ATOM 810 O O . ASP A 1 105 ? -14.565 13.300 25.862 1.00 11.41 ? 185 ASP A O 1 ATOM 811 C CB . ASP A 1 105 ? -13.847 15.488 27.657 1.00 11.03 ? 185 ASP A CB 1 ATOM 812 C CG . ASP A 1 105 ? -12.355 15.497 27.347 1.00 11.01 ? 185 ASP A CG 1 ATOM 813 O OD1 . ASP A 1 105 ? -11.727 14.418 27.318 1.00 11.31 ? 185 ASP A OD1 1 ATOM 814 O OD2 . ASP A 1 105 ? -11.808 16.601 27.117 1.00 11.09 ? 185 ASP A OD2 1 ATOM 815 N N . GLY A 1 106 ? -13.616 11.918 27.363 1.00 10.64 ? 186 GLY A N 1 ATOM 816 C CA . GLY A 1 106 ? -13.311 10.877 26.393 1.00 10.53 ? 186 GLY A CA 1 ATOM 817 C C . GLY A 1 106 ? -11.818 10.767 26.143 1.00 12.15 ? 186 GLY A C 1 ATOM 818 O O . GLY A 1 106 ? -11.297 9.690 25.837 1.00 13.17 ? 186 GLY A O 1 ATOM 819 N N . LYS A 1 107 ? -11.122 11.889 26.286 1.00 12.00 ? 187 LYS A N 1 ATOM 820 C CA . LYS A 1 107 ? -9.674 11.906 26.124 1.00 12.21 ? 187 LYS A CA 1 ATOM 821 C C . LYS A 1 107 ? -8.943 12.011 27.462 1.00 12.21 ? 187 LYS A C 1 ATOM 822 O O . LYS A 1 107 ? -8.009 11.253 27.718 1.00 13.86 ? 187 LYS A O 1 ATOM 823 C CB . LYS A 1 107 ? -9.241 13.038 25.189 1.00 12.37 ? 187 LYS A CB 1 ATOM 824 C CG . LYS A 1 107 ? -9.785 12.917 23.773 1.00 13.68 ? 187 LYS A CG 1 ATOM 825 C CD . LYS A 1 107 ? -9.131 13.937 22.848 1.00 16.23 ? 187 LYS A CD 1 ATOM 826 C CE . LYS A 1 107 ? -9.752 13.895 21.462 1.00 18.59 ? 187 LYS A CE 1 ATOM 827 N NZ . LYS A 1 107 ? -9.144 14.916 20.560 1.00 21.18 ? 187 LYS A NZ 1 ATOM 828 N N . LYS A 1 108 ? -9.360 12.952 28.308 1.00 12.04 ? 188 LYS A N 1 ATOM 829 C CA . LYS A 1 108 ? -8.695 13.160 29.597 1.00 12.20 ? 188 LYS A CA 1 ATOM 830 C C . LYS A 1 108 ? -9.665 13.468 30.733 1.00 10.65 ? 188 LYS A C 1 ATOM 831 O O . LYS A 1 108 ? -10.812 13.849 30.497 1.00 11.38 ? 188 LYS A O 1 ATOM 832 C CB . LYS A 1 108 ? -7.665 14.291 29.492 1.00 14.45 ? 188 LYS A CB 1 ATOM 833 C CG . LYS A 1 108 ? -6.634 14.075 28.397 1.00 17.18 ? 188 LYS A CG 1 ATOM 834 C CD . LYS A 1 108 ? -5.572 15.151 28.390 1.00 22.14 ? 188 LYS A CD 1 ATOM 835 C CE . LYS A 1 108 ? -4.561 14.917 27.269 1.00 24.78 ? 188 LYS A CE 1 ATOM 836 N NZ . LYS A 1 108 ? -3.327 15.724 27.465 1.00 26.89 ? 188 LYS A NZ 1 ATOM 837 N N . TRP A 1 109 ? -9.189 13.298 31.966 1.00 9.81 ? 189 TRP A N 1 ATOM 838 C CA . TRP A 1 109 ? -9.936 13.712 33.151 1.00 9.50 ? 189 TRP A CA 1 ATOM 839 C C . TRP A 1 109 ? -9.872 15.217 33.349 1.00 8.84 ? 189 TRP A C 1 ATOM 840 O O . TRP A 1 109 ? -8.805 15.820 33.251 1.00 10.12 ? 189 TRP A O 1 ATOM 841 C CB . TRP A 1 109 ? -9.397 13.031 34.418 1.00 9.69 ? 189 TRP A CB 1 ATOM 842 C CG . TRP A 1 109 ? -9.830 11.613 34.567 1.00 10.53 ? 189 TRP A CG 1 ATOM 843 C CD1 . TRP A 1 109 ? -9.085 10.497 34.322 1.00 12.09 ? 189 TRP A CD1 1 ATOM 844 C CD2 . TRP A 1 109 ? -11.121 11.154 34.979 1.00 10.61 ? 189 TRP A CD2 1 ATOM 845 N NE1 . TRP A 1 109 ? -9.831 9.369 34.568 1.00 12.48 ? 189 TRP A NE1 1 ATOM 846 C CE2 . TRP A 1 109 ? -11.087 9.745 34.968 1.00 11.88 ? 189 TRP A CE2 1 ATOM 847 C CE3 . TRP A 1 109 ? -12.300 11.797 35.366 1.00 12.32 ? 189 TRP A CE3 1 ATOM 848 C CZ2 . TRP A 1 109 ? -12.188 8.967 35.322 1.00 12.62 ? 189 TRP A CZ2 1 ATOM 849 C CZ3 . TRP A 1 109 ? -13.394 11.022 35.715 1.00 13.12 ? 189 TRP A CZ3 1 ATOM 850 C CH2 . TRP A 1 109 ? -13.329 9.624 35.691 1.00 13.79 ? 189 TRP A CH2 1 ATOM 851 N N . LEU A 1 110 ? -11.025 15.806 33.647 1.00 8.32 ? 190 LEU A N 1 ATOM 852 C CA . LEU A 1 110 ? -11.121 17.196 34.056 1.00 8.62 ? 190 LEU A CA 1 ATOM 853 C C . LEU A 1 110 ? -11.451 17.208 35.537 1.00 9.02 ? 190 LEU A C 1 ATOM 854 O O . LEU A 1 110 ? -12.381 16.533 35.969 1.00 11.11 ? 190 LEU A O 1 ATOM 855 C CB . LEU A 1 110 ? -12.251 17.881 33.289 1.00 9.27 ? 190 LEU A CB 1 ATOM 856 C CG . LEU A 1 110 ? -12.487 19.366 33.554 1.00 10.97 ? 190 LEU A CG 1 ATOM 857 C CD1 . LEU A 1 110 ? -11.378 20.187 32.919 1.00 12.95 ? 190 LEU A CD1 1 ATOM 858 C CD2 . LEU A 1 110 ? -13.846 19.797 33.020 1.00 13.39 ? 190 LEU A CD2 1 ATOM 859 N N . ALA A 1 111 ? -10.689 17.962 36.319 1.00 7.73 ? 191 ALA A N 1 ATOM 860 C CA . ALA A 1 111 ? -11.001 18.128 37.732 1.00 9.31 ? 191 ALA A CA 1 ATOM 861 C C . ALA A 1 111 ? -10.991 19.611 38.080 1.00 10.84 ? 191 ALA A C 1 ATOM 862 O O . ALA A 1 111 ? -10.060 20.331 37.726 1.00 13.89 ? 191 ALA A O 1 ATOM 863 C CB . ALA A 1 111 ? -10.006 17.364 38.604 1.00 10.10 ? 191 ALA A CB 1 ATOM 864 N N . VAL A 1 112 ? -12.041 20.059 38.756 1.00 9.39 ? 192 VAL A N 1 ATOM 865 C CA . VAL A 1 112 ? -12.167 21.449 39.170 1.00 9.01 ? 192 VAL A CA 1 ATOM 866 C C . VAL A 1 112 ? -12.188 21.498 40.691 1.00 9.38 ? 192 VAL A C 1 ATOM 867 O O . VAL A 1 112 ? -13.109 20.975 41.315 1.00 10.90 ? 192 VAL A O 1 ATOM 868 C CB . VAL A 1 112 ? -13.470 22.065 38.623 1.00 9.36 ? 192 VAL A CB 1 ATOM 869 C CG1 . VAL A 1 112 ? -13.598 23.524 39.051 1.00 10.83 ? 192 VAL A CG1 1 ATOM 870 C CG2 . VAL A 1 112 ? -13.527 21.933 37.097 1.00 10.07 ? 192 VAL A CG2 1 ATOM 871 N N . GLY A 1 113 ? -11.166 22.107 41.290 1.00 7.69 ? 193 GLY A N 1 ATOM 872 C CA . GLY A 1 113 ? -11.045 22.134 42.738 1.00 8.12 ? 193 GLY A CA 1 ATOM 873 C C . GLY A 1 113 ? -10.937 23.541 43.283 1.00 7.74 ? 193 GLY A C 1 ATOM 874 O O . GLY A 1 113 ? -10.102 24.323 42.830 1.00 9.89 ? 193 GLY A O 1 ATOM 875 N N . ILE A 1 114 ? -11.778 23.857 44.264 1.00 7.24 ? 194 ILE A N 1 ATOM 876 C CA . ILE A 1 114 ? -11.800 25.185 44.875 1.00 7.47 ? 194 ILE A CA 1 ATOM 877 C C . ILE A 1 114 ? -11.067 25.186 46.209 1.00 8.11 ? 194 ILE A C 1 ATOM 878 O O . ILE A 1 114 ? -11.341 24.355 47.075 1.00 7.56 ? 194 ILE A O 1 ATOM 879 C CB . ILE A 1 114 ? -13.252 25.676 45.116 1.00 6.96 ? 194 ILE A CB 1 ATOM 880 C CG1 . ILE A 1 114 ? -14.018 25.758 43.791 1.00 8.20 ? 194 ILE A CG1 1 ATOM 881 C CG2 . ILE A 1 114 ? -13.247 27.023 45.836 1.00 7.87 ? 194 ILE A CG2 1 ATOM 882 C CD1 . ILE A 1 114 ? -15.532 25.769 43.943 1.00 8.67 ? 194 ILE A CD1 1 ATOM 883 N N . SER A 1 115 ? -10.134 26.118 46.373 1.00 7.83 ? 195 SER A N 1 ATOM 884 C CA . SER A 1 115 ? -9.488 26.320 47.661 1.00 7.74 ? 195 SER A CA 1 ATOM 885 C C . SER A 1 115 ? -9.287 27.816 47.895 1.00 8.68 ? 195 SER A C 1 ATOM 886 O O . SER A 1 115 ? -9.760 28.636 47.112 1.00 8.88 ? 195 SER A O 1 ATOM 887 C CB . SER A 1 115 ? -8.167 25.549 47.729 1.00 8.80 ? 195 SER A CB 1 ATOM 888 O OG . SER A 1 115 ? -7.665 25.500 49.057 1.00 9.33 ? 195 SER A OG 1 ATOM 889 N N . GLY A 1 116 ? -8.597 28.167 48.974 1.00 8.50 ? 196 GLY A N 1 ATOM 890 C CA . GLY A 1 116 ? -8.399 29.560 49.331 1.00 8.49 ? 196 GLY A CA 1 ATOM 891 C C . GLY A 1 116 ? -9.316 30.007 50.452 1.00 8.94 ? 196 GLY A C 1 ATOM 892 O O . GLY A 1 116 ? -10.111 29.218 50.975 1.00 10.32 ? 196 GLY A O 1 ATOM 893 N N . ALA A 1 117 ? -9.202 31.283 50.813 1.00 9.98 ? 197 ALA A N 1 ATOM 894 C CA . ALA A 1 117 ? -10.014 31.873 51.869 1.00 9.67 ? 197 ALA A CA 1 ATOM 895 C C . ALA A 1 117 ? -11.479 31.979 51.459 1.00 9.83 ? 197 ALA A C 1 ATOM 896 O O . ALA A 1 117 ? -11.804 32.071 50.272 1.00 11.24 ? 197 ALA A O 1 ATOM 897 C CB . ALA A 1 117 ? -9.481 33.247 52.219 1.00 10.03 ? 197 ALA A CB 1 ATOM 898 N N . ASP A 1 118 ? -12.364 31.991 52.449 1.00 10.84 ? 198 ASP A N 1 ATOM 899 C CA . ASP A 1 118 ? -13.793 32.102 52.174 1.00 10.68 ? 198 ASP A CA 1 ATOM 900 C C . ASP A 1 118 ? -14.124 33.342 51.352 1.00 11.02 ? 198 ASP A C 1 ATOM 901 O O . ASP A 1 118 ? -15.019 33.314 50.509 1.00 11.55 ? 198 ASP A O 1 ATOM 902 C CB . ASP A 1 118 ? -14.597 32.135 53.475 1.00 12.69 ? 198 ASP A CB 1 ATOM 903 C CG . ASP A 1 118 ? -14.650 30.789 54.164 1.00 14.23 ? 198 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 118 ? -14.156 29.796 53.587 1.00 15.03 ? 198 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 118 ? -15.195 30.727 55.287 1.00 15.52 ? 198 ASP A OD2 1 ATOM 906 N N . ASP A 1 119 ? -13.411 34.433 51.606 1.00 11.32 ? 199 ASP A N 1 ATOM 907 C CA . ASP A 1 119 ? -13.720 35.693 50.938 1.00 12.54 ? 199 ASP A CA 1 ATOM 908 C C . ASP A 1 119 ? -12.894 35.948 49.679 1.00 13.35 ? 199 ASP A C 1 ATOM 909 O O . ASP A 1 119 ? -12.957 37.029 49.110 1.00 14.71 ? 199 ASP A O 1 ATOM 910 C CB . ASP A 1 119 ? -13.610 36.878 51.911 1.00 13.83 ? 199 ASP A CB 1 ATOM 911 C CG . ASP A 1 119 ? -12.176 37.170 52.334 1.00 18.30 ? 199 ASP A CG 1 ATOM 912 O OD1 . ASP A 1 119 ? -11.247 36.455 51.902 1.00 19.13 ? 199 ASP A OD1 1 ATOM 913 O OD2 . ASP A 1 119 ? -11.975 38.132 53.108 1.00 21.84 ? 199 ASP A OD2 1 ATOM 914 N N . ASP A 1 120 ? -12.131 34.955 49.233 1.00 12.52 ? 200 ASP A N 1 ATOM 915 C CA . ASP A 1 120 ? -11.340 35.128 48.020 1.00 12.93 ? 200 ASP A CA 1 ATOM 916 C C . ASP A 1 120 ? -10.862 33.781 47.496 1.00 11.63 ? 200 ASP A C 1 ATOM 917 O O . ASP A 1 120 ? -9.683 33.601 47.191 1.00 11.74 ? 200 ASP A O 1 ATOM 918 C CB . ASP A 1 120 ? -10.155 36.066 48.281 1.00 16.35 ? 200 ASP A CB 1 ATOM 919 C CG . ASP A 1 120 ? -9.809 36.922 47.075 1.00 20.31 ? 200 ASP A CG 1 ATOM 920 O OD1 . ASP A 1 120 ? -10.410 36.723 46.001 1.00 20.99 ? 200 ASP A OD1 1 ATOM 921 O OD2 . ASP A 1 120 ? -8.935 37.804 47.200 1.00 24.01 ? 200 ASP A OD2 1 ATOM 922 N N . ALA A 1 121 ? -11.794 32.839 47.397 1.00 9.14 ? 201 ALA A N 1 ATOM 923 C CA . ALA A 1 121 ? -11.481 31.495 46.929 1.00 8.86 ? 201 ALA A CA 1 ATOM 924 C C . ALA A 1 121 ? -11.324 31.482 45.411 1.00 8.50 ? 201 ALA A C 1 ATOM 925 O O . ALA A 1 121 ? -11.744 32.418 44.718 1.00 9.29 ? 201 ALA A O 1 ATOM 926 C CB . ALA A 1 121 ? -12.572 30.525 47.354 1.00 9.26 ? 201 ALA A CB 1 ATOM 927 N N . TYR A 1 122 ? -10.710 30.426 44.896 1.00 8.11 ? 202 TYR A N 1 ATOM 928 C CA . TYR A 1 122 ? -10.642 30.243 43.454 1.00 7.83 ? 202 TYR A CA 1 ATOM 929 C C . TYR A 1 122 ? -10.601 28.773 43.077 1.00 8.46 ? 202 TYR A C 1 ATOM 930 O O . TYR A 1 122 ? -10.063 27.939 43.812 1.00 8.02 ? 202 TYR A O 1 ATOM 931 C CB . TYR A 1 122 ? -9.462 31.012 42.837 1.00 7.21 ? 202 TYR A CB 1 ATOM 932 C CG . TYR A 1 122 ? -8.069 30.558 43.234 1.00 8.71 ? 202 TYR A CG 1 ATOM 933 C CD1 . TYR A 1 122 ? -7.359 29.656 42.446 1.00 9.80 ? 202 TYR A CD1 1 ATOM 934 C CD2 . TYR A 1 122 ? -7.448 31.062 44.373 1.00 8.87 ? 202 TYR A CD2 1 ATOM 935 C CE1 . TYR A 1 122 ? -6.070 29.256 42.790 1.00 9.36 ? 202 TYR A CE1 1 ATOM 936 C CE2 . TYR A 1 122 ? -6.160 30.671 44.722 1.00 10.00 ? 202 TYR A CE2 1 ATOM 937 C CZ . TYR A 1 122 ? -5.479 29.769 43.934 1.00 9.88 ? 202 TYR A CZ 1 ATOM 938 O OH . TYR A 1 122 ? -4.201 29.385 44.290 1.00 9.43 ? 202 TYR A OH 1 ATOM 939 N N . ALA A 1 123 ? -11.216 28.460 41.943 1.00 8.55 ? 203 ALA A N 1 ATOM 940 C CA . ALA A 1 123 ? -11.171 27.116 41.394 1.00 9.12 ? 203 ALA A CA 1 ATOM 941 C C . ALA A 1 123 ? -9.955 26.992 40.495 1.00 9.99 ? 203 ALA A C 1 ATOM 942 O O . ALA A 1 123 ? -9.662 27.889 39.706 1.00 9.89 ? 203 ALA A O 1 ATOM 943 C CB . ALA A 1 123 ? -12.441 26.819 40.607 1.00 9.89 ? 203 ALA A CB 1 ATOM 944 N N . VAL A 1 124 ? -9.228 25.890 40.641 1.00 9.25 ? 204 VAL A N 1 ATOM 945 C CA . VAL A 1 124 ? -8.176 25.546 39.699 1.00 8.95 ? 204 VAL A CA 1 ATOM 946 C C . VAL A 1 124 ? -8.696 24.409 38.838 1.00 9.98 ? 204 VAL A C 1 ATOM 947 O O . VAL A 1 124 ? -9.197 23.408 39.351 1.00 11.38 ? 204 VAL A O 1 ATOM 948 C CB . VAL A 1 124 ? -6.880 25.122 40.420 1.00 8.89 ? 204 VAL A CB 1 ATOM 949 C CG1 . VAL A 1 124 ? -5.814 24.696 39.415 1.00 9.58 ? 204 VAL A CG1 1 ATOM 950 C CG2 . VAL A 1 124 ? -6.369 26.260 41.284 1.00 10.33 ? 204 VAL A CG2 1 ATOM 951 N N . ILE A 1 125 ? -8.603 24.582 37.526 1.00 8.63 ? 205 ILE A N 1 ATOM 952 C CA . ILE A 1 125 ? -9.050 23.562 36.593 1.00 9.37 ? 205 ILE A CA 1 ATOM 953 C C . ILE A 1 125 ? -7.858 22.722 36.168 1.00 9.77 ? 205 ILE A C 1 ATOM 954 O O . ILE A 1 125 ? -6.859 23.248 35.667 1.00 11.61 ? 205 ILE A O 1 ATOM 955 C CB . ILE A 1 125 ? -9.713 24.191 35.361 1.00 10.95 ? 205 ILE A CB 1 ATOM 956 C CG1 . ILE A 1 125 ? -10.871 25.093 35.795 1.00 12.78 ? 205 ILE A CG1 1 ATOM 957 C CG2 . ILE A 1 125 ? -10.200 23.108 34.407 1.00 10.74 ? 205 ILE A CG2 1 ATOM 958 C CD1 . ILE A 1 125 ? -11.460 25.902 34.665 1.00 14.92 ? 205 ILE A CD1 1 ATOM 959 N N . HIS A 1 126 ? -7.961 21.417 36.397 1.00 9.32 ? 206 HIS A N 1 ATOM 960 C CA . HIS A 1 126 ? -6.899 20.485 36.052 1.00 8.66 ? 206 HIS A CA 1 ATOM 961 C C . HIS A 1 126 ? -7.387 19.647 34.885 1.00 9.48 ? 206 HIS A C 1 ATOM 962 O O . HIS A 1 126 ? -8.490 19.105 34.924 1.00 11.90 ? 206 HIS A O 1 ATOM 963 C CB . HIS A 1 126 ? -6.601 19.542 37.221 1.00 9.24 ? 206 HIS A CB 1 ATOM 964 C CG . HIS A 1 126 ? -6.045 20.212 38.438 1.00 9.50 ? 206 HIS A CG 1 ATOM 965 N ND1 . HIS A 1 126 ? -6.809 20.982 39.292 1.00 11.99 ? 206 HIS A ND1 1 ATOM 966 C CD2 . HIS A 1 126 ? -4.804 20.179 38.976 1.00 8.88 ? 206 HIS A CD2 1 ATOM 967 C CE1 . HIS A 1 126 ? -6.056 21.411 40.288 1.00 9.27 ? 206 HIS A CE1 1 ATOM 968 N NE2 . HIS A 1 126 ? -4.836 20.932 40.123 1.00 11.88 ? 206 HIS A NE2 1 ATOM 969 N N . TYR A 1 127 ? -6.568 19.528 33.849 1.00 8.99 ? 207 TYR A N 1 ATOM 970 C CA . TYR A 1 127 ? -6.946 18.730 32.694 1.00 8.26 ? 207 TYR A CA 1 ATOM 971 C C . TYR A 1 127 ? -5.788 17.820 32.312 1.00 11.53 ? 207 TYR A C 1 ATOM 972 O O . TYR A 1 127 ? -4.693 18.291 31.997 1.00 12.25 ? 207 TYR A O 1 ATOM 973 C CB . TYR A 1 127 ? -7.350 19.640 31.533 1.00 9.95 ? 207 TYR A CB 1 ATOM 974 C CG . TYR A 1 127 ? -7.853 18.894 30.330 1.00 9.52 ? 207 TYR A CG 1 ATOM 975 C CD1 . TYR A 1 127 ? -9.101 18.282 30.339 1.00 10.84 ? 207 TYR A CD1 1 ATOM 976 C CD2 . TYR A 1 127 ? -7.082 18.797 29.182 1.00 9.80 ? 207 TYR A CD2 1 ATOM 977 C CE1 . TYR A 1 127 ? -9.568 17.596 29.229 1.00 11.34 ? 207 TYR A CE1 1 ATOM 978 C CE2 . TYR A 1 127 ? -7.537 18.113 28.078 1.00 10.21 ? 207 TYR A CE2 1 ATOM 979 C CZ . TYR A 1 127 ? -8.779 17.516 28.103 1.00 10.67 ? 207 TYR A CZ 1 ATOM 980 O OH . TYR A 1 127 ? -9.225 16.835 26.994 1.00 12.77 ? 207 TYR A OH 1 ATOM 981 N N . GLY A 1 128 ? -6.024 16.514 32.368 1.00 12.99 ? 208 GLY A N 1 ATOM 982 C CA . GLY A 1 128 ? -4.963 15.550 32.145 1.00 13.09 ? 208 GLY A CA 1 ATOM 983 C C . GLY A 1 128 ? -3.878 15.695 33.197 1.00 15.10 ? 208 GLY A C 1 ATOM 984 O O . GLY A 1 128 ? -2.715 15.361 32.957 1.00 17.11 ? 208 GLY A O 1 ATOM 985 N N . GLY A 1 129 ? -4.262 16.206 34.363 1.00 17.05 ? 209 GLY A N 1 ATOM 986 C CA . GLY A 1 129 ? -3.347 16.325 35.485 1.00 19.52 ? 209 GLY A CA 1 ATOM 987 C C . GLY A 1 129 ? -2.535 17.603 35.486 1.00 21.93 ? 209 GLY A C 1 ATOM 988 O O . GLY A 1 129 ? -1.667 17.796 36.338 1.00 24.20 ? 209 GLY A O 1 ATOM 989 N N . MET A 1 130 ? -2.812 18.483 34.529 1.00 20.89 ? 210 MET A N 1 ATOM 990 C CA . MET A 1 130 ? -2.097 19.744 34.433 1.00 22.89 ? 210 MET A CA 1 ATOM 991 C C . MET A 1 130 ? -3.037 20.905 34.713 1.00 16.69 ? 210 MET A C 1 ATOM 992 O O . MET A 1 130 ? -4.172 20.903 34.249 1.00 13.53 ? 210 MET A O 1 ATOM 993 C CB . MET A 1 130 ? -1.485 19.891 33.041 1.00 28.94 ? 210 MET A CB 1 ATOM 994 C CG . MET A 1 130 ? -0.506 18.785 32.687 1.00 34.87 ? 210 MET A CG 1 ATOM 995 S SD . MET A 1 130 ? 0.893 18.705 33.825 1.00 40.28 ? 210 MET A SD 1 ATOM 996 C CE . MET A 1 130 ? 0.614 17.120 34.611 1.00 40.63 ? 210 MET A CE 1 ATOM 997 N N . PRO A 1 131 ? -2.570 21.900 35.480 1.00 15.00 ? 211 PRO A N 1 ATOM 998 C CA . PRO A 1 131 ? -3.403 23.081 35.734 1.00 14.19 ? 211 PRO A CA 1 ATOM 999 C C . PRO A 1 131 ? -3.531 23.901 34.452 1.00 15.30 ? 211 PRO A C 1 ATOM 1000 O O . PRO A 1 131 ? -2.517 24.308 33.884 1.00 19.46 ? 211 PRO A O 1 ATOM 1001 C CB . PRO A 1 131 ? -2.600 23.846 36.786 1.00 15.01 ? 211 PRO A CB 1 ATOM 1002 C CG . PRO A 1 131 ? -1.173 23.468 36.489 1.00 16.51 ? 211 PRO A CG 1 ATOM 1003 C CD . PRO A 1 131 ? -1.235 22.018 36.095 1.00 16.94 ? 211 PRO A CD 1 ATOM 1004 N N . THR A 1 132 ? -4.757 24.123 33.994 1.00 11.69 ? 212 THR A N 1 ATOM 1005 C CA . THR A 1 132 ? -4.981 24.791 32.714 1.00 11.32 ? 212 THR A CA 1 ATOM 1006 C C . THR A 1 132 ? -5.621 26.173 32.844 1.00 11.54 ? 212 THR A C 1 ATOM 1007 O O . THR A 1 132 ? -5.364 27.060 32.030 1.00 14.10 ? 212 THR A O 1 ATOM 1008 C CB . THR A 1 132 ? -5.870 23.944 31.788 1.00 12.97 ? 212 THR A CB 1 ATOM 1009 O OG1 . THR A 1 132 ? -6.993 23.453 32.532 1.00 13.49 ? 212 THR A OG1 1 ATOM 1010 C CG2 . THR A 1 132 ? -5.090 22.769 31.212 1.00 14.07 ? 212 THR A CG2 1 ATOM 1011 N N . ASP A 1 133 ? -6.461 26.360 33.857 1.00 10.83 ? 213 ASP A N 1 ATOM 1012 C CA . ASP A 1 133 ? -7.210 27.609 33.975 1.00 9.71 ? 213 ASP A CA 1 ATOM 1013 C C . ASP A 1 133 ? -7.666 27.816 35.417 1.00 10.55 ? 213 ASP A C 1 ATOM 1014 O O . ASP A 1 133 ? -7.543 26.917 36.254 1.00 10.63 ? 213 ASP A O 1 ATOM 1015 C CB . ASP A 1 133 ? -8.417 27.583 33.026 1.00 11.09 ? 213 ASP A CB 1 ATOM 1016 C CG . ASP A 1 133 ? -8.849 28.971 32.564 1.00 12.89 ? 213 ASP A CG 1 ATOM 1017 O OD1 . ASP A 1 133 ? -8.285 29.982 33.036 1.00 14.42 ? 213 ASP A OD1 1 ATOM 1018 O OD2 . ASP A 1 133 ? -9.767 29.051 31.716 1.00 14.61 ? 213 ASP A OD2 1 ATOM 1019 N N . VAL A 1 134 ? -8.168 29.010 35.707 1.00 10.48 ? 214 VAL A N 1 ATOM 1020 C CA . VAL A 1 134 ? -8.690 29.316 37.033 1.00 10.57 ? 214 VAL A CA 1 ATOM 1021 C C . VAL A 1 134 ? -10.026 30.037 36.921 1.00 10.56 ? 214 VAL A C 1 ATOM 1022 O O . VAL A 1 134 ? -10.297 30.712 35.928 1.00 14.05 ? 214 VAL A O 1 ATOM 1023 C CB . VAL A 1 134 ? -7.727 30.216 37.843 1.00 12.12 ? 214 VAL A CB 1 ATOM 1024 C CG1 . VAL A 1 134 ? -6.392 29.521 38.072 1.00 13.32 ? 214 VAL A CG1 1 ATOM 1025 C CG2 . VAL A 1 134 ? -7.527 31.542 37.143 1.00 15.19 ? 214 VAL A CG2 1 ATOM 1026 N N . VAL A 1 135 ? -10.865 29.886 37.938 1.00 9.65 ? 215 VAL A N 1 ATOM 1027 C CA . VAL A 1 135 ? -12.071 30.698 38.050 1.00 9.78 ? 215 VAL A CA 1 ATOM 1028 C C . VAL A 1 135 ? -12.086 31.354 39.420 1.00 10.31 ? 215 VAL A C 1 ATOM 1029 O O . VAL A 1 135 ? -12.111 30.671 40.442 1.00 11.64 ? 215 VAL A O 1 ATOM 1030 C CB . VAL A 1 135 ? -13.366 29.873 37.883 1.00 11.26 ? 215 VAL A CB 1 ATOM 1031 C CG1 . VAL A 1 135 ? -14.591 30.756 38.125 1.00 12.63 ? 215 VAL A CG1 1 ATOM 1032 C CG2 . VAL A 1 135 ? -13.427 29.236 36.502 1.00 13.54 ? 215 VAL A CG2 1 ATOM 1033 N N . ARG A 1 136 ? -12.066 32.680 39.443 1.00 10.45 ? 216 ARG A N 1 ATOM 1034 C CA . ARG A 1 136 ? -12.063 33.394 40.707 1.00 11.84 ? 216 ARG A CA 1 ATOM 1035 C C . ARG A 1 136 ? -13.465 33.587 41.254 1.00 12.00 ? 216 ARG A C 1 ATOM 1036 O O . ARG A 1 136 ? -14.436 33.661 40.503 1.00 12.73 ? 216 ARG A O 1 ATOM 1037 C CB . ARG A 1 136 ? -11.379 34.752 40.565 1.00 14.81 ? 216 ARG A CB 1 ATOM 1038 C CG . ARG A 1 136 ? -9.876 34.657 40.402 1.00 19.13 ? 216 ARG A CG 1 ATOM 1039 C CD . ARG A 1 136 ? -9.218 36.006 40.606 1.00 22.17 ? 216 ARG A CD 1 ATOM 1040 N NE . ARG A 1 136 ? -9.441 36.532 41.951 1.00 23.75 ? 216 ARG A NE 1 ATOM 1041 C CZ . ARG A 1 136 ? -8.861 37.632 42.422 1.00 27.48 ? 216 ARG A CZ 1 ATOM 1042 N NH1 . ARG A 1 136 ? -8.021 38.320 41.659 1.00 28.41 ? 216 ARG A NH1 1 ATOM 1043 N NH2 . ARG A 1 136 ? -9.113 38.045 43.657 1.00 28.97 ? 216 ARG A NH2 1 ATOM 1044 N N . SER A 1 137 ? -13.554 33.659 42.575 1.00 10.96 ? 217 SER A N 1 ATOM 1045 C CA . SER A 1 137 ? -14.784 34.043 43.245 1.00 10.12 ? 217 SER A CA 1 ATOM 1046 C C . SER A 1 137 ? -15.212 35.420 42.739 1.00 12.05 ? 217 SER A C 1 ATOM 1047 O O . SER A 1 137 ? -14.407 36.351 42.716 1.00 15.00 ? 217 SER A O 1 ATOM 1048 C CB . SER A 1 137 ? -14.542 34.075 44.753 1.00 9.58 ? 217 SER A CB 1 ATOM 1049 O OG . SER A 1 137 ? -15.684 34.524 45.454 1.00 10.33 ? 217 SER A OG 1 ATOM 1050 N N . TRP A 1 138 ? -16.470 35.543 42.321 1.00 10.84 ? 218 TRP A N 1 ATOM 1051 C CA . TRP A 1 138 ? -16.980 36.810 41.805 1.00 10.97 ? 218 TRP A CA 1 ATOM 1052 C C . TRP A 1 138 ? -17.880 37.548 42.807 1.00 12.92 ? 218 TRP A C 1 ATOM 1053 O O . TRP A 1 138 ? -18.210 38.722 42.607 1.00 13.37 ? 218 TRP A O 1 ATOM 1054 C CB . TRP A 1 138 ? -17.691 36.602 40.457 1.00 11.47 ? 218 TRP A CB 1 ATOM 1055 C CG . TRP A 1 138 ? -18.972 35.828 40.548 1.00 12.30 ? 218 TRP A CG 1 ATOM 1056 C CD1 . TRP A 1 138 ? -20.226 36.346 40.678 1.00 12.09 ? 218 TRP A CD1 1 ATOM 1057 C CD2 . TRP A 1 138 ? -19.130 34.400 40.516 1.00 12.55 ? 218 TRP A CD2 1 ATOM 1058 N NE1 . TRP A 1 138 ? -21.154 35.337 40.730 1.00 12.83 ? 218 TRP A NE1 1 ATOM 1059 C CE2 . TRP A 1 138 ? -20.509 34.132 40.634 1.00 12.91 ? 218 TRP A CE2 1 ATOM 1060 C CE3 . TRP A 1 138 ? -18.242 33.325 40.398 1.00 12.92 ? 218 TRP A CE3 1 ATOM 1061 C CZ2 . TRP A 1 138 ? -21.023 32.835 40.639 1.00 12.89 ? 218 TRP A CZ2 1 ATOM 1062 C CZ3 . TRP A 1 138 ? -18.754 32.036 40.405 1.00 13.25 ? 218 TRP A CZ3 1 ATOM 1063 C CH2 . TRP A 1 138 ? -20.133 31.803 40.526 1.00 13.21 ? 218 TRP A CH2 1 ATOM 1064 N N . ARG A 1 139 ? -18.265 36.864 43.885 1.00 12.16 ? 219 ARG A N 1 ATOM 1065 C CA . ARG A 1 139 ? -19.049 37.482 44.958 1.00 12.46 ? 219 ARG A CA 1 ATOM 1066 C C . ARG A 1 139 ? -18.299 37.481 46.289 1.00 12.41 ? 219 ARG A C 1 ATOM 1067 O O . ARG A 1 139 ? -18.785 38.031 47.285 1.00 14.01 ? 219 ARG A O 1 ATOM 1068 C CB . ARG A 1 139 ? -20.401 36.784 45.128 1.00 14.29 ? 219 ARG A CB 1 ATOM 1069 C CG . ARG A 1 139 ? -21.362 36.982 43.968 1.00 16.18 ? 219 ARG A CG 1 ATOM 1070 C CD . ARG A 1 139 ? -21.784 38.439 43.842 1.00 19.42 ? 219 ARG A CD 1 ATOM 1071 N NE . ARG A 1 139 ? -22.777 38.623 42.787 1.00 25.07 ? 219 ARG A NE 1 ATOM 1072 C CZ . ARG A 1 139 ? -24.090 38.518 42.972 1.00 28.82 ? 219 ARG A CZ 1 ATOM 1073 N NH1 . ARG A 1 139 ? -24.573 38.231 44.176 1.00 30.20 ? 219 ARG A NH1 1 ATOM 1074 N NH2 . ARG A 1 139 ? -24.921 38.701 41.955 1.00 29.24 ? 219 ARG A NH2 1 ATOM 1075 N N . LYS A 1 140 ? -17.125 36.853 46.299 1.00 11.54 ? 220 LYS A N 1 ATOM 1076 C CA . LYS A 1 140 ? -16.247 36.829 47.473 1.00 11.37 ? 220 LYS A CA 1 ATOM 1077 C C . LYS A 1 140 ? -16.928 36.216 48.696 1.00 12.08 ? 220 LYS A C 1 ATOM 1078 O O . LYS A 1 140 ? -16.740 36.671 49.829 1.00 12.05 ? 220 LYS A O 1 ATOM 1079 C CB . LYS A 1 140 ? -15.728 38.237 47.791 1.00 13.46 ? 220 LYS A CB 1 ATOM 1080 C CG . LYS A 1 140 ? -15.114 38.961 46.595 1.00 15.26 ? 220 LYS A CG 1 ATOM 1081 C CD . LYS A 1 140 ? -14.003 38.147 45.941 1.00 16.33 ? 220 LYS A CD 1 ATOM 1082 C CE . LYS A 1 140 ? -13.470 38.856 44.702 1.00 17.75 ? 220 LYS A CE 1 ATOM 1083 N NZ . LYS A 1 140 ? -12.460 38.042 43.971 1.00 19.59 ? 220 LYS A NZ 1 ATOM 1084 N N . GLN A 1 141 ? -17.704 35.164 48.467 1.00 11.57 ? 221 GLN A N 1 ATOM 1085 C CA . GLN A 1 141 ? -18.441 34.534 49.552 1.00 11.40 ? 221 GLN A CA 1 ATOM 1086 C C . GLN A 1 141 ? -18.597 33.028 49.355 1.00 10.83 ? 221 GLN A C 1 ATOM 1087 O O . GLN A 1 141 ? -19.663 32.541 48.964 1.00 11.49 ? 221 GLN A O 1 ATOM 1088 C CB . GLN A 1 141 ? -19.803 35.200 49.729 1.00 13.96 ? 221 GLN A CB 1 ATOM 1089 C CG . GLN A 1 141 ? -20.532 34.737 50.968 1.00 17.25 ? 221 GLN A CG 1 ATOM 1090 C CD . GLN A 1 141 ? -21.593 35.717 51.426 1.00 20.11 ? 221 GLN A CD 1 ATOM 1091 O OE1 . GLN A 1 141 ? -21.934 36.670 50.715 1.00 20.24 ? 221 GLN A OE1 1 ATOM 1092 N NE2 . GLN A 1 141 ? -22.121 35.492 52.626 1.00 21.89 ? 221 GLN A NE2 1 ATOM 1093 N N . ILE A 1 142 ? -17.519 32.308 49.641 1.00 9.64 ? 222 ILE A N 1 ATOM 1094 C CA . ILE A 1 142 ? -17.460 30.850 49.539 1.00 8.34 ? 222 ILE A CA 1 ATOM 1095 C C . ILE A 1 142 ? -17.874 30.323 48.166 1.00 8.30 ? 222 ILE A C 1 ATOM 1096 O O . ILE A 1 142 ? -18.887 29.637 48.017 1.00 8.90 ? 222 ILE A O 1 ATOM 1097 C CB . ILE A 1 142 ? -18.254 30.151 50.666 1.00 8.79 ? 222 ILE A CB 1 ATOM 1098 C CG1 . ILE A 1 142 ? -17.917 30.796 52.015 1.00 10.77 ? 222 ILE A CG1 1 ATOM 1099 C CG2 . ILE A 1 142 ? -17.940 28.646 50.691 1.00 10.65 ? 222 ILE A CG2 1 ATOM 1100 C CD1 . ILE A 1 142 ? -18.693 30.231 53.188 1.00 10.91 ? 222 ILE A CD1 1 ATOM 1101 N N . LEU A 1 143 ? -17.072 30.651 47.162 1.00 8.23 ? 223 LEU A N 1 ATOM 1102 C CA . LEU A 1 143 ? -17.221 30.047 45.853 1.00 8.06 ? 223 LEU A CA 1 ATOM 1103 C C . LEU A 1 143 ? -17.305 28.537 46.034 1.00 8.23 ? 223 LEU A C 1 ATOM 1104 O O . LEU A 1 143 ? -16.509 27.949 46.762 1.00 8.05 ? 223 LEU A O 1 ATOM 1105 C CB . LEU A 1 143 ? -16.023 30.409 44.983 1.00 8.24 ? 223 LEU A CB 1 ATOM 1106 C CG . LEU A 1 143 ? -15.948 29.765 43.600 1.00 8.77 ? 223 LEU A CG 1 ATOM 1107 C CD1 . LEU A 1 143 ? -17.063 30.276 42.691 1.00 9.24 ? 223 LEU A CD1 1 ATOM 1108 C CD2 . LEU A 1 143 ? -14.579 30.033 42.994 1.00 10.19 ? 223 LEU A CD2 1 ATOM 1109 N N . ARG A 1 144 ? -18.281 27.907 45.392 1.00 8.04 ? 224 ARG A N 1 ATOM 1110 C CA . ARG A 1 144 ? -18.512 26.488 45.619 1.00 7.15 ? 224 ARG A CA 1 ATOM 1111 C C . ARG A 1 144 ? -19.172 25.837 44.415 1.00 7.88 ? 224 ARG A C 1 ATOM 1112 O O . ARG A 1 144 ? -19.755 26.519 43.571 1.00 8.98 ? 224 ARG A O 1 ATOM 1113 C CB . ARG A 1 144 ? -19.348 26.288 46.889 1.00 7.47 ? 224 ARG A CB 1 ATOM 1114 C CG . ARG A 1 144 ? -20.651 27.073 46.928 1.00 8.41 ? 224 ARG A CG 1 ATOM 1115 C CD . ARG A 1 144 ? -21.080 27.271 48.377 1.00 8.26 ? 224 ARG A CD 1 ATOM 1116 N NE . ARG A 1 144 ? -22.395 27.893 48.548 1.00 9.26 ? 224 ARG A NE 1 ATOM 1117 C CZ . ARG A 1 144 ? -22.616 29.204 48.612 1.00 10.54 ? 224 ARG A CZ 1 ATOM 1118 N NH1 . ARG A 1 144 ? -21.611 30.057 48.482 1.00 11.66 ? 224 ARG A NH1 1 ATOM 1119 N NH2 . ARG A 1 144 ? -23.851 29.661 48.800 1.00 10.48 ? 224 ARG A NH2 1 ATOM 1120 N N . THR A 1 145 ? -19.065 24.516 44.322 1.00 6.86 ? 225 THR A N 1 ATOM 1121 C CA . THR A 1 145 ? -19.582 23.829 43.147 1.00 7.78 ? 225 THR A CA 1 ATOM 1122 C C . THR A 1 145 ? -20.319 22.523 43.484 1.00 8.03 ? 225 THR A C 1 ATOM 1123 O O . THR A 1 145 ? -20.850 22.366 44.592 1.00 8.00 ? 225 THR A O 1 ATOM 1124 C CB . THR A 1 145 ? -18.471 23.670 42.064 1.00 8.55 ? 225 THR A CB 1 ATOM 1125 O OG1 . THR A 1 145 ? -19.032 23.210 40.827 1.00 8.84 ? 225 THR A OG1 1 ATOM 1126 C CG2 . THR A 1 145 ? -17.353 22.742 42.531 1.00 8.47 ? 225 THR A CG2 1 ATOM 1127 N N . GLN A 1 146 ? -20.360 21.600 42.529 1.00 7.28 ? 226 GLN A N 1 ATOM 1128 C CA . GLN A 1 146 ? -21.333 20.504 42.550 1.00 7.42 ? 226 GLN A CA 1 ATOM 1129 C C . GLN A 1 146 ? -21.146 19.428 43.621 1.00 7.22 ? 226 GLN A C 1 ATOM 1130 O O . GLN A 1 146 ? -22.128 18.921 44.163 1.00 8.15 ? 226 GLN A O 1 ATOM 1131 C CB . GLN A 1 146 ? -21.405 19.846 41.170 1.00 7.44 ? 226 GLN A CB 1 ATOM 1132 C CG . GLN A 1 146 ? -21.903 20.796 40.100 1.00 6.28 ? 226 GLN A CG 1 ATOM 1133 C CD . GLN A 1 146 ? -22.015 20.162 38.729 1.00 9.11 ? 226 GLN A CD 1 ATOM 1134 O OE1 . GLN A 1 146 ? -22.073 20.863 37.726 1.00 11.32 ? 226 GLN A OE1 1 ATOM 1135 N NE2 . GLN A 1 146 ? -22.040 18.831 38.678 1.00 11.18 ? 226 GLN A NE2 1 ATOM 1136 N N . GLU A 1 147 ? -19.896 19.088 43.921 1.00 7.50 ? 227 GLU A N 1 ATOM 1137 C CA . GLU A 1 147 ? -19.568 17.890 44.702 1.00 8.25 ? 227 GLU A CA 1 ATOM 1138 C C . GLU A 1 147 ? -20.134 16.635 44.027 1.00 7.96 ? 227 GLU A C 1 ATOM 1139 O O . GLU A 1 147 ? -20.535 15.675 44.692 1.00 8.07 ? 227 GLU A O 1 ATOM 1140 C CB . GLU A 1 147 ? -20.057 17.980 46.153 1.00 8.37 ? 227 GLU A CB 1 ATOM 1141 C CG . GLU A 1 147 ? -20.080 19.379 46.748 1.00 10.70 ? 227 GLU A CG 1 ATOM 1142 C CD . GLU A 1 147 ? -18.708 20.010 46.887 1.00 12.36 ? 227 GLU A CD 1 ATOM 1143 O OE1 . GLU A 1 147 ? -17.704 19.379 46.499 1.00 11.78 ? 227 GLU A OE1 1 ATOM 1144 O OE2 . GLU A 1 147 ? -18.634 21.152 47.390 1.00 13.16 ? 227 GLU A OE2 1 ATOM 1145 N N . SER A 1 148 ? -20.175 16.656 42.701 1.00 7.96 ? 228 SER A N 1 ATOM 1146 C CA . SER A 1 148 ? -20.510 15.466 41.924 1.00 8.01 ? 228 SER A CA 1 ATOM 1147 C C . SER A 1 148 ? -19.976 15.640 40.511 1.00 8.44 ? 228 SER A C 1 ATOM 1148 O O . SER A 1 148 ? -19.356 16.658 40.195 1.00 9.95 ? 228 SER A O 1 ATOM 1149 C CB . SER A 1 148 ? -22.018 15.183 41.924 1.00 8.75 ? 228 SER A CB 1 ATOM 1150 O OG . SER A 1 148 ? -22.745 16.224 41.297 1.00 9.72 ? 228 SER A OG 1 ATOM 1151 N N A SER A 1 149 ? -20.218 14.653 39.658 0.52 6.69 ? 229 SER A N 1 ATOM 1152 N N B SER A 1 149 ? -20.221 14.651 39.660 0.48 7.69 ? 229 SER A N 1 ATOM 1153 C CA A SER A 1 149 ? -19.643 14.658 38.321 0.52 6.31 ? 229 SER A CA 1 ATOM 1154 C CA B SER A 1 149 ? -19.666 14.654 38.313 0.48 8.20 ? 229 SER A CA 1 ATOM 1155 C C A SER A 1 149 ? -20.159 15.799 37.448 0.52 7.79 ? 229 SER A C 1 ATOM 1156 C C B SER A 1 149 ? -20.162 15.819 37.462 0.48 8.73 ? 229 SER A C 1 ATOM 1157 O O A SER A 1 149 ? -21.353 16.113 37.448 0.52 8.21 ? 229 SER A O 1 ATOM 1158 O O B SER A 1 149 ? -21.344 16.170 37.492 0.48 9.27 ? 229 SER A O 1 ATOM 1159 C CB A SER A 1 149 ? -19.906 13.320 37.633 0.52 5.42 ? 229 SER A CB 1 ATOM 1160 C CB B SER A 1 149 ? -19.974 13.332 37.606 0.48 8.98 ? 229 SER A CB 1 ATOM 1161 O OG A SER A 1 149 ? -21.294 13.049 37.596 0.52 5.02 ? 229 SER A OG 1 ATOM 1162 O OG B SER A 1 149 ? -19.504 13.349 36.268 0.48 10.31 ? 229 SER A OG 1 ATOM 1163 N N . CYS A 1 150 ? -19.253 16.415 36.698 1.00 8.42 ? 230 CYS A N 1 ATOM 1164 C CA . CYS A 1 150 ? -19.654 17.399 35.703 1.00 8.85 ? 230 CYS A CA 1 ATOM 1165 C C . CYS A 1 150 ? -20.086 16.627 34.462 1.00 8.27 ? 230 CYS A C 1 ATOM 1166 O O . CYS A 1 150 ? -20.136 15.399 34.485 1.00 9.29 ? 230 CYS A O 1 ATOM 1167 C CB . CYS A 1 150 ? -18.555 18.431 35.400 1.00 10.21 ? 230 CYS A CB 1 ATOM 1168 S SG . CYS A 1 150 ? -16.834 17.859 35.468 1.00 11.72 ? 230 CYS A SG 1 ATOM 1169 N N . VAL A 1 151 ? -20.432 17.336 33.395 1.00 7.84 ? 231 VAL A N 1 ATOM 1170 C CA . VAL A 1 151 ? -20.948 16.683 32.192 1.00 8.63 ? 231 VAL A CA 1 ATOM 1171 C C . VAL A 1 151 ? -20.130 17.099 30.979 1.00 9.28 ? 231 VAL A C 1 ATOM 1172 O O . VAL A 1 151 ? -19.926 18.287 30.745 1.00 10.67 ? 231 VAL A O 1 ATOM 1173 C CB . VAL A 1 151 ? -22.437 17.035 31.947 1.00 9.93 ? 231 VAL A CB 1 ATOM 1174 C CG1 . VAL A 1 151 ? -22.916 16.482 30.600 1.00 10.83 ? 231 VAL A CG1 1 ATOM 1175 C CG2 . VAL A 1 151 ? -23.311 16.520 33.097 1.00 11.17 ? 231 VAL A CG2 1 ATOM 1176 N N . CYS A 1 152 ? -19.660 16.119 30.212 1.00 9.72 ? 232 CYS A N 1 ATOM 1177 C CA . CYS A 1 152 ? -18.932 16.399 28.982 1.00 10.21 ? 232 CYS A CA 1 ATOM 1178 C C . CYS A 1 152 ? -19.716 15.889 27.789 1.00 11.67 ? 232 CYS A C 1 ATOM 1179 O O . CYS A 1 152 ? -20.181 14.754 27.796 1.00 13.48 ? 232 CYS A O 1 ATOM 1180 C CB . CYS A 1 152 ? -17.558 15.725 28.998 1.00 11.98 ? 232 CYS A CB 1 ATOM 1181 S SG . CYS A 1 152 ? -16.459 16.286 30.324 1.00 13.62 ? 232 CYS A SG 1 ATOM 1182 N N . MET A 1 153 ? -19.856 16.731 26.771 1.00 10.39 ? 233 MET A N 1 ATOM 1183 C CA . MET A 1 153 ? -20.488 16.335 25.516 1.00 11.60 ? 233 MET A CA 1 ATOM 1184 C C . MET A 1 153 ? -19.705 16.912 24.345 1.00 11.24 ? 233 MET A C 1 ATOM 1185 O O . MET A 1 153 ? -19.430 18.113 24.312 1.00 11.58 ? 233 MET A O 1 ATOM 1186 C CB . MET A 1 153 ? -21.930 16.841 25.450 1.00 12.71 ? 233 MET A CB 1 ATOM 1187 C CG . MET A 1 153 ? -22.836 16.302 26.540 1.00 14.90 ? 233 MET A CG 1 ATOM 1188 S SD . MET A 1 153 ? -24.527 16.922 26.407 1.00 17.78 ? 233 MET A SD 1 ATOM 1189 C CE . MET A 1 153 ? -24.286 18.676 26.698 1.00 17.22 ? 233 MET A CE 1 ATOM 1190 N N . ASN A 1 154 ? -19.346 16.061 23.389 1.00 12.50 ? 234 ASN A N 1 ATOM 1191 C CA . ASN A 1 154 ? -18.665 16.516 22.178 1.00 14.28 ? 234 ASN A CA 1 ATOM 1192 C C . ASN A 1 154 ? -17.402 17.325 22.459 1.00 13.49 ? 234 ASN A C 1 ATOM 1193 O O . ASN A 1 154 ? -17.069 18.241 21.707 1.00 14.91 ? 234 ASN A O 1 ATOM 1194 C CB . ASN A 1 154 ? -19.607 17.359 21.313 1.00 16.50 ? 234 ASN A CB 1 ATOM 1195 C CG . ASN A 1 154 ? -20.748 16.553 20.727 1.00 19.91 ? 234 ASN A CG 1 ATOM 1196 O OD1 . ASN A 1 154 ? -20.581 15.388 20.362 1.00 20.07 ? 234 ASN A OD1 1 ATOM 1197 N ND2 . ASN A 1 154 ? -21.919 17.176 20.625 1.00 21.77 ? 234 ASN A ND2 1 ATOM 1198 N N . GLY A 1 155 ? -16.711 17.001 23.545 1.00 12.22 ? 235 GLY A N 1 ATOM 1199 C CA . GLY A 1 155 ? -15.445 17.648 23.849 1.00 12.30 ? 235 GLY A CA 1 ATOM 1200 C C . GLY A 1 155 ? -15.549 18.896 24.708 1.00 12.38 ? 235 GLY A C 1 ATOM 1201 O O . GLY A 1 155 ? -14.539 19.517 25.034 1.00 12.71 ? 235 GLY A O 1 ATOM 1202 N N . ASN A 1 156 ? -16.770 19.277 25.066 1.00 11.27 ? 236 ASN A N 1 ATOM 1203 C CA . ASN A 1 156 ? -16.984 20.413 25.957 1.00 10.39 ? 236 ASN A CA 1 ATOM 1204 C C . ASN A 1 156 ? -17.483 19.898 27.291 1.00 9.97 ? 236 ASN A C 1 ATOM 1205 O O . ASN A 1 156 ? -18.309 18.993 27.328 1.00 11.92 ? 236 ASN A O 1 ATOM 1206 C CB . ASN A 1 156 ? -18.031 21.368 25.376 1.00 12.01 ? 236 ASN A CB 1 ATOM 1207 C CG . ASN A 1 156 ? -17.654 21.895 24.003 1.00 13.14 ? 236 ASN A CG 1 ATOM 1208 O OD1 . ASN A 1 156 ? -18.447 21.826 23.059 1.00 16.55 ? 236 ASN A OD1 1 ATOM 1209 N ND2 . ASN A 1 156 ? -16.445 22.428 23.885 1.00 12.18 ? 236 ASN A ND2 1 ATOM 1210 N N . CYS A 1 157 ? -16.987 20.463 28.387 1.00 9.54 ? 237 CYS A N 1 ATOM 1211 C CA . CYS A 1 157 ? -17.418 20.027 29.715 1.00 10.07 ? 237 CYS A CA 1 ATOM 1212 C C . CYS A 1 157 ? -18.060 21.185 30.464 1.00 10.17 ? 237 CYS A C 1 ATOM 1213 O O . CYS A 1 157 ? -17.604 22.326 30.366 1.00 11.93 ? 237 CYS A O 1 ATOM 1214 C CB . CYS A 1 157 ? -16.247 19.432 30.506 1.00 11.96 ? 237 CYS A CB 1 ATOM 1215 S SG . CYS A 1 157 ? -15.484 17.990 29.717 1.00 13.82 ? 237 CYS A SG 1 ATOM 1216 N N . TYR A 1 158 ? -19.128 20.879 31.198 1.00 8.03 ? 238 TYR A N 1 ATOM 1217 C CA . TYR A 1 158 ? -19.979 21.889 31.816 1.00 7.51 ? 238 TYR A CA 1 ATOM 1218 C C . TYR A 1 158 ? -20.153 21.627 33.303 1.00 7.96 ? 238 TYR A C 1 ATOM 1219 O O . TYR A 1 158 ? -20.251 20.476 33.730 1.00 8.47 ? 238 TYR A O 1 ATOM 1220 C CB . TYR A 1 158 ? -21.367 21.849 31.181 1.00 8.94 ? 238 TYR A CB 1 ATOM 1221 C CG . TYR A 1 158 ? -21.401 21.991 29.676 1.00 8.33 ? 238 TYR A CG 1 ATOM 1222 C CD1 . TYR A 1 158 ? -21.659 23.220 29.084 1.00 7.97 ? 238 TYR A CD1 1 ATOM 1223 C CD2 . TYR A 1 158 ? -21.206 20.892 28.850 1.00 8.50 ? 238 TYR A CD2 1 ATOM 1224 C CE1 . TYR A 1 158 ? -21.706 23.356 27.712 1.00 9.34 ? 238 TYR A CE1 1 ATOM 1225 C CE2 . TYR A 1 158 ? -21.244 21.017 27.471 1.00 9.23 ? 238 TYR A CE2 1 ATOM 1226 C CZ . TYR A 1 158 ? -21.496 22.253 26.910 1.00 9.64 ? 238 TYR A CZ 1 ATOM 1227 O OH . TYR A 1 158 ? -21.542 22.384 25.539 1.00 12.11 ? 238 TYR A OH 1 ATOM 1228 N N . TRP A 1 159 ? -20.230 22.695 34.089 1.00 7.84 ? 239 TRP A N 1 ATOM 1229 C CA . TRP A 1 159 ? -20.524 22.565 35.514 1.00 8.43 ? 239 TRP A CA 1 ATOM 1230 C C . TRP A 1 159 ? -21.161 23.840 36.055 1.00 9.34 ? 239 TRP A C 1 ATOM 1231 O O . TRP A 1 159 ? -21.135 24.885 35.400 1.00 9.64 ? 239 TRP A O 1 ATOM 1232 C CB . TRP A 1 159 ? -19.270 22.189 36.311 1.00 7.97 ? 239 TRP A CB 1 ATOM 1233 C CG . TRP A 1 159 ? -18.235 23.275 36.408 1.00 9.10 ? 239 TRP A CG 1 ATOM 1234 C CD1 . TRP A 1 159 ? -18.111 24.201 37.403 1.00 10.94 ? 239 TRP A CD1 1 ATOM 1235 C CD2 . TRP A 1 159 ? -17.168 23.538 35.482 1.00 8.74 ? 239 TRP A CD2 1 ATOM 1236 N NE1 . TRP A 1 159 ? -17.039 25.026 37.154 1.00 10.87 ? 239 TRP A NE1 1 ATOM 1237 C CE2 . TRP A 1 159 ? -16.446 24.644 35.980 1.00 9.67 ? 239 TRP A CE2 1 ATOM 1238 C CE3 . TRP A 1 159 ? -16.761 22.951 34.280 1.00 10.31 ? 239 TRP A CE3 1 ATOM 1239 C CZ2 . TRP A 1 159 ? -15.336 25.174 35.319 1.00 10.80 ? 239 TRP A CZ2 1 ATOM 1240 C CZ3 . TRP A 1 159 ? -15.653 23.477 33.625 1.00 11.73 ? 239 TRP A CZ3 1 ATOM 1241 C CH2 . TRP A 1 159 ? -14.958 24.581 34.145 1.00 12.34 ? 239 TRP A CH2 1 ATOM 1242 N N . VAL A 1 160 ? -21.747 23.740 37.242 1.00 8.35 ? 240 VAL A N 1 ATOM 1243 C CA . VAL A 1 160 ? -22.447 24.854 37.851 1.00 9.32 ? 240 VAL A CA 1 ATOM 1244 C C . VAL A 1 160 ? -21.732 25.264 39.130 1.00 8.93 ? 240 VAL A C 1 ATOM 1245 O O . VAL A 1 160 ? -21.305 24.402 39.904 1.00 9.28 ? 240 VAL A O 1 ATOM 1246 C CB . VAL A 1 160 ? -23.901 24.465 38.204 1.00 9.77 ? 240 VAL A CB 1 ATOM 1247 C CG1 . VAL A 1 160 ? -24.651 25.659 38.769 1.00 10.50 ? 240 VAL A CG1 1 ATOM 1248 C CG2 . VAL A 1 160 ? -24.623 23.903 36.982 1.00 11.85 ? 240 VAL A CG2 1 ATOM 1249 N N . MET A 1 161 ? -21.600 26.573 39.347 1.00 8.17 ? 241 MET A N 1 ATOM 1250 C CA . MET A 1 161 ? -20.999 27.098 40.574 1.00 8.04 ? 241 MET A CA 1 ATOM 1251 C C . MET A 1 161 ? -21.887 28.157 41.214 1.00 8.17 ? 241 MET A C 1 ATOM 1252 O O . MET A 1 161 ? -22.707 28.788 40.551 1.00 9.00 ? 241 MET A O 1 ATOM 1253 C CB . MET A 1 161 ? -19.627 27.719 40.308 1.00 9.40 ? 241 MET A CB 1 ATOM 1254 C CG . MET A 1 161 ? -18.699 26.885 39.455 1.00 12.13 ? 241 MET A CG 1 ATOM 1255 S SD . MET A 1 161 ? -17.079 27.667 39.314 1.00 16.04 ? 241 MET A SD 1 ATOM 1256 C CE . MET A 1 161 ? -16.299 26.957 40.741 1.00 13.82 ? 241 MET A CE 1 ATOM 1257 N N . THR A 1 162 ? -21.693 28.354 42.511 1.00 6.77 ? 242 THR A N 1 ATOM 1258 C CA . THR A 1 162 ? -22.446 29.332 43.279 1.00 7.43 ? 242 THR A CA 1 ATOM 1259 C C . THR A 1 162 ? -21.485 30.183 44.093 1.00 8.05 ? 242 THR A C 1 ATOM 1260 O O . THR A 1 162 ? -20.430 29.718 44.498 1.00 8.52 ? 242 THR A O 1 ATOM 1261 C CB . THR A 1 162 ? -23.425 28.619 44.225 1.00 8.22 ? 242 THR A CB 1 ATOM 1262 O OG1 . THR A 1 162 ? -24.345 27.849 43.443 1.00 9.45 ? 242 THR A OG1 1 ATOM 1263 C CG2 . THR A 1 162 ? -24.200 29.624 45.085 1.00 9.28 ? 242 THR A CG2 1 ATOM 1264 N N . ASP A 1 163 ? -21.860 31.433 44.337 1.00 8.04 ? 243 ASP A N 1 ATOM 1265 C CA . ASP A 1 163 ? -21.050 32.332 45.146 1.00 8.63 ? 243 ASP A CA 1 ATOM 1266 C C . ASP A 1 163 ? -22.028 33.281 45.830 1.00 9.02 ? 243 ASP A C 1 ATOM 1267 O O . ASP A 1 163 ? -22.930 33.805 45.186 1.00 9.53 ? 243 ASP A O 1 ATOM 1268 C CB . ASP A 1 163 ? -20.064 33.086 44.246 1.00 8.55 ? 243 ASP A CB 1 ATOM 1269 C CG . ASP A 1 163 ? -18.896 33.689 45.008 1.00 10.22 ? 243 ASP A CG 1 ATOM 1270 O OD1 . ASP A 1 163 ? -18.971 33.816 46.249 1.00 10.72 ? 243 ASP A OD1 1 ATOM 1271 O OD2 . ASP A 1 163 ? -17.893 34.050 44.347 1.00 10.70 ? 243 ASP A OD2 1 ATOM 1272 N N . GLY A 1 164 ? -21.882 33.466 47.139 1.00 8.72 ? 244 GLY A N 1 ATOM 1273 C CA . GLY A 1 164 ? -22.818 34.288 47.884 1.00 9.99 ? 244 GLY A CA 1 ATOM 1274 C C . GLY A 1 164 ? -23.378 33.581 49.104 1.00 9.69 ? 244 GLY A C 1 ATOM 1275 O O . GLY A 1 164 ? -22.945 32.477 49.447 1.00 9.67 ? 244 GLY A O 1 ATOM 1276 N N . PRO A 1 165 ? -24.355 34.214 49.768 1.00 9.39 ? 245 PRO A N 1 ATOM 1277 C CA . PRO A 1 165 ? -24.926 33.729 51.030 1.00 9.74 ? 245 PRO A CA 1 ATOM 1278 C C . PRO A 1 165 ? -25.435 32.289 50.969 1.00 10.15 ? 245 PRO A C 1 ATOM 1279 O O . PRO A 1 165 ? -25.904 31.815 49.929 1.00 9.35 ? 245 PRO A O 1 ATOM 1280 C CB . PRO A 1 165 ? -26.093 34.693 51.279 1.00 11.82 ? 245 PRO A CB 1 ATOM 1281 C CG . PRO A 1 165 ? -25.680 35.955 50.598 1.00 11.99 ? 245 PRO A CG 1 ATOM 1282 C CD . PRO A 1 165 ? -24.928 35.510 49.365 1.00 10.64 ? 245 PRO A CD 1 ATOM 1283 N N . ALA A 1 166 ? -25.338 31.605 52.104 1.00 9.79 ? 246 ALA A N 1 ATOM 1284 C CA . ALA A 1 166 ? -25.835 30.245 52.230 1.00 10.32 ? 246 ALA A CA 1 ATOM 1285 C C . ALA A 1 166 ? -27.341 30.224 52.472 1.00 10.46 ? 246 ALA A C 1 ATOM 1286 O O . ALA A 1 166 ? -28.005 29.242 52.143 1.00 10.30 ? 246 ALA A O 1 ATOM 1287 C CB . ALA A 1 166 ? -25.119 29.527 53.368 1.00 11.22 ? 246 ALA A CB 1 ATOM 1288 N N . ASN A 1 167 ? -27.872 31.298 53.058 1.00 11.47 ? 247 ASN A N 1 ATOM 1289 C CA . ASN A 1 167 ? -29.280 31.339 53.473 1.00 12.30 ? 247 ASN A CA 1 ATOM 1290 C C . ASN A 1 167 ? -30.054 32.540 52.932 1.00 12.99 ? 247 ASN A C 1 ATOM 1291 O O . ASN A 1 167 ? -31.021 32.995 53.548 1.00 16.15 ? 247 ASN A O 1 ATOM 1292 C CB . ASN A 1 167 ? -29.398 31.350 55.002 1.00 12.02 ? 247 ASN A CB 1 ATOM 1293 C CG . ASN A 1 167 ? -28.964 30.046 55.646 1.00 10.82 ? 247 ASN A CG 1 ATOM 1294 O OD1 . ASN A 1 167 ? -28.578 30.031 56.818 1.00 12.07 ? 247 ASN A OD1 1 ATOM 1295 N ND2 . ASN A 1 167 ? -29.043 28.944 54.900 1.00 11.62 ? 247 ASN A ND2 1 ATOM 1296 N N . SER A 1 168 ? -29.624 33.072 51.796 1.00 11.75 ? 248 SER A N 1 ATOM 1297 C CA . SER A 1 168 ? -30.402 34.101 51.118 1.00 11.14 ? 248 SER A CA 1 ATOM 1298 C C . SER A 1 168 ? -29.941 34.161 49.679 1.00 10.61 ? 248 SER A C 1 ATOM 1299 O O . SER A 1 168 ? -29.139 33.332 49.254 1.00 11.53 ? 248 SER A O 1 ATOM 1300 C CB . SER A 1 168 ? -30.251 35.464 51.799 1.00 15.29 ? 248 SER A CB 1 ATOM 1301 O OG . SER A 1 168 ? -28.905 35.891 51.796 1.00 18.37 ? 248 SER A OG 1 ATOM 1302 N N . GLN A 1 169 ? -30.432 35.141 48.932 1.00 11.18 ? 249 GLN A N 1 ATOM 1303 C CA . GLN A 1 169 ? -30.151 35.203 47.505 1.00 10.63 ? 249 GLN A CA 1 ATOM 1304 C C . GLN A 1 169 ? -28.655 35.165 47.227 1.00 10.89 ? 249 GLN A C 1 ATOM 1305 O O . GLN A 1 169 ? -27.897 35.974 47.764 1.00 12.24 ? 249 GLN A O 1 ATOM 1306 C CB . GLN A 1 169 ? -30.747 36.469 46.896 1.00 10.75 ? 249 GLN A CB 1 ATOM 1307 C CG . GLN A 1 169 ? -30.587 36.549 45.389 1.00 12.17 ? 249 GLN A CG 1 ATOM 1308 C CD . GLN A 1 169 ? -31.571 35.662 44.662 1.00 12.79 ? 249 GLN A CD 1 ATOM 1309 O OE1 . GLN A 1 169 ? -32.785 35.833 44.791 1.00 14.24 ? 249 GLN A OE1 1 ATOM 1310 N NE2 . GLN A 1 169 ? -31.057 34.705 43.894 1.00 12.84 ? 249 GLN A NE2 1 ATOM 1311 N N . ALA A 1 170 ? -28.236 34.227 46.384 1.00 11.23 ? 250 ALA A N 1 ATOM 1312 C CA . ALA A 1 170 ? -26.843 34.151 45.965 1.00 10.54 ? 250 ALA A CA 1 ATOM 1313 C C . ALA A 1 170 ? -26.758 34.262 44.450 1.00 11.27 ? 250 ALA A C 1 ATOM 1314 O O . ALA A 1 170 ? -27.749 34.578 43.788 1.00 11.70 ? 250 ALA A O 1 ATOM 1315 C CB . ALA A 1 170 ? -26.200 32.860 46.456 1.00 10.50 ? 250 ALA A CB 1 ATOM 1316 N N . SER A 1 171 ? -25.570 34.015 43.907 1.00 10.92 ? 251 SER A N 1 ATOM 1317 C CA . SER A 1 171 ? -25.340 34.107 42.468 1.00 11.02 ? 251 SER A CA 1 ATOM 1318 C C . SER A 1 171 ? -24.957 32.740 41.915 1.00 9.40 ? 251 SER A C 1 ATOM 1319 O O . SER A 1 171 ? -24.156 32.021 42.520 1.00 10.16 ? 251 SER A O 1 ATOM 1320 C CB . SER A 1 171 ? -24.239 35.130 42.175 1.00 11.42 ? 251 SER A CB 1 ATOM 1321 O OG . SER A 1 171 ? -23.987 35.237 40.785 1.00 12.73 ? 251 SER A OG 1 ATOM 1322 N N . TYR A 1 172 ? -25.533 32.387 40.767 1.00 9.02 ? 252 TYR A N 1 ATOM 1323 C CA . TYR A 1 172 ? -25.389 31.046 40.208 1.00 8.80 ? 252 TYR A CA 1 ATOM 1324 C C . TYR A 1 172 ? -24.891 31.149 38.772 1.00 9.82 ? 252 TYR A C 1 ATOM 1325 O O . TYR A 1 172 ? -25.441 31.906 37.977 1.00 11.22 ? 252 TYR A O 1 ATOM 1326 C CB . TYR A 1 172 ? -26.739 30.312 40.273 1.00 9.36 ? 252 TYR A CB 1 ATOM 1327 C CG . TYR A 1 172 ? -27.537 30.710 41.496 1.00 8.89 ? 252 TYR A CG 1 ATOM 1328 C CD1 . TYR A 1 172 ? -27.088 30.391 42.772 1.00 9.84 ? 252 TYR A CD1 1 ATOM 1329 C CD2 . TYR A 1 172 ? -28.721 31.438 41.378 1.00 9.01 ? 252 TYR A CD2 1 ATOM 1330 C CE1 . TYR A 1 172 ? -27.789 30.779 43.898 1.00 9.92 ? 252 TYR A CE1 1 ATOM 1331 C CE2 . TYR A 1 172 ? -29.437 31.828 42.504 1.00 9.67 ? 252 TYR A CE2 1 ATOM 1332 C CZ . TYR A 1 172 ? -28.964 31.493 43.763 1.00 9.89 ? 252 TYR A CZ 1 ATOM 1333 O OH . TYR A 1 172 ? -29.653 31.881 44.895 1.00 10.97 ? 252 TYR A OH 1 ATOM 1334 N N . LYS A 1 173 ? -23.841 30.401 38.443 1.00 8.76 ? 253 LYS A N 1 ATOM 1335 C CA . LYS A 1 173 ? -23.254 30.473 37.107 1.00 9.37 ? 253 LYS A CA 1 ATOM 1336 C C . LYS A 1 173 ? -23.021 29.100 36.502 1.00 9.69 ? 253 LYS A C 1 ATOM 1337 O O . LYS A 1 173 ? -22.664 28.147 37.201 1.00 10.49 ? 253 LYS A O 1 ATOM 1338 C CB . LYS A 1 173 ? -21.927 31.232 37.136 1.00 11.85 ? 253 LYS A CB 1 ATOM 1339 C CG . LYS A 1 173 ? -22.060 32.740 37.250 1.00 13.81 ? 253 LYS A CG 1 ATOM 1340 C CD . LYS A 1 173 ? -20.704 33.403 37.092 1.00 15.53 ? 253 LYS A CD 1 ATOM 1341 C CE . LYS A 1 173 ? -20.820 34.913 37.226 1.00 17.45 ? 253 LYS A CE 1 ATOM 1342 N NZ . LYS A 1 173 ? -19.513 35.600 37.067 1.00 20.31 ? 253 LYS A NZ 1 ATOM 1343 N N . ILE A 1 174 ? -23.212 29.017 35.189 1.00 9.05 ? 254 ILE A N 1 ATOM 1344 C CA . ILE A 1 174 ? -22.904 27.817 34.428 1.00 9.53 ? 254 ILE A CA 1 ATOM 1345 C C . ILE A 1 174 ? -21.614 28.068 33.662 1.00 9.21 ? 254 ILE A C 1 ATOM 1346 O O . ILE A 1 174 ? -21.409 29.162 33.121 1.00 9.60 ? 254 ILE A O 1 ATOM 1347 C CB . ILE A 1 174 ? -24.003 27.500 33.402 1.00 11.23 ? 254 ILE A CB 1 ATOM 1348 C CG1 . ILE A 1 174 ? -25.378 27.482 34.061 1.00 14.08 ? 254 ILE A CG1 1 ATOM 1349 C CG2 . ILE A 1 174 ? -23.731 26.165 32.726 1.00 13.25 ? 254 ILE A CG2 1 ATOM 1350 C CD1 . ILE A 1 174 ? -26.521 27.489 33.055 1.00 15.17 ? 254 ILE A CD1 1 ATOM 1351 N N . PHE A 1 175 ? -20.751 27.057 33.616 1.00 9.40 ? 255 PHE A N 1 ATOM 1352 C CA . PHE A 1 175 ? -19.466 27.168 32.938 1.00 9.40 ? 255 PHE A CA 1 ATOM 1353 C C . PHE A 1 175 ? -19.317 26.138 31.829 1.00 9.83 ? 255 PHE A C 1 ATOM 1354 O O . PHE A 1 175 ? -19.787 25.006 31.950 1.00 11.60 ? 255 PHE A O 1 ATOM 1355 C CB . PHE A 1 175 ? -18.325 27.024 33.950 1.00 9.15 ? 255 PHE A CB 1 ATOM 1356 C CG . PHE A 1 175 ? -18.215 28.188 34.884 1.00 10.25 ? 255 PHE A CG 1 ATOM 1357 C CD1 . PHE A 1 175 ? -17.313 29.211 34.636 1.00 11.57 ? 255 PHE A CD1 1 ATOM 1358 C CD2 . PHE A 1 175 ? -19.041 28.279 35.993 1.00 10.13 ? 255 PHE A CD2 1 ATOM 1359 C CE1 . PHE A 1 175 ? -17.223 30.299 35.484 1.00 12.88 ? 255 PHE A CE1 1 ATOM 1360 C CE2 . PHE A 1 175 ? -18.957 29.366 36.844 1.00 10.49 ? 255 PHE A CE2 1 ATOM 1361 C CZ . PHE A 1 175 ? -18.045 30.379 36.589 1.00 13.09 ? 255 PHE A CZ 1 ATOM 1362 N N . LYS A 1 176 ? -18.661 26.550 30.747 1.00 8.68 ? 256 LYS A N 1 ATOM 1363 C CA . LYS A 1 176 ? -18.350 25.664 29.636 1.00 8.59 ? 256 LYS A CA 1 ATOM 1364 C C . LYS A 1 176 ? -16.842 25.675 29.442 1.00 9.07 ? 256 LYS A C 1 ATOM 1365 O O . LYS A 1 176 ? -16.211 26.732 29.513 1.00 10.08 ? 256 LYS A O 1 ATOM 1366 C CB . LYS A 1 176 ? -19.038 26.151 28.361 1.00 8.93 ? 256 LYS A CB 1 ATOM 1367 C CG . LYS A 1 176 ? -18.841 25.253 27.137 1.00 9.88 ? 256 LYS A CG 1 ATOM 1368 C CD . LYS A 1 176 ? -19.545 25.863 25.931 1.00 11.30 ? 256 LYS A CD 1 ATOM 1369 C CE . LYS A 1 176 ? -19.461 24.971 24.695 1.00 11.55 ? 256 LYS A CE 1 ATOM 1370 N NZ . LYS A 1 176 ? -20.201 25.572 23.542 1.00 12.48 ? 256 LYS A NZ 1 ATOM 1371 N N . SER A 1 177 ? -16.264 24.506 29.197 1.00 9.62 ? 257 SER A N 1 ATOM 1372 C CA . SER A 1 177 ? -14.821 24.401 29.007 1.00 9.76 ? 257 SER A CA 1 ATOM 1373 C C . SER A 1 177 ? -14.473 23.450 27.874 1.00 10.57 ? 257 SER A C 1 ATOM 1374 O O . SER A 1 177 ? -15.261 22.571 27.518 1.00 10.92 ? 257 SER A O 1 ATOM 1375 C CB . SER A 1 177 ? -14.146 23.915 30.288 1.00 10.67 ? 257 SER A CB 1 ATOM 1376 O OG . SER A 1 177 ? -14.577 22.603 30.603 1.00 12.70 ? 257 SER A OG 1 ATOM 1377 N N . HIS A 1 178 ? -13.284 23.638 27.310 1.00 9.18 ? 258 HIS A N 1 ATOM 1378 C CA . HIS A 1 178 ? -12.739 22.727 26.311 1.00 9.32 ? 258 HIS A CA 1 ATOM 1379 C C . HIS A 1 178 ? -11.263 22.523 26.620 1.00 11.13 ? 258 HIS A C 1 ATOM 1380 O O . HIS A 1 178 ? -10.499 23.486 26.679 1.00 11.17 ? 258 HIS A O 1 ATOM 1381 C CB . HIS A 1 178 ? -12.915 23.294 24.896 1.00 11.00 ? 258 HIS A CB 1 ATOM 1382 C CG . HIS A 1 178 ? -12.351 22.421 23.816 1.00 13.55 ? 258 HIS A CG 1 ATOM 1383 N ND1 . HIS A 1 178 ? -12.889 21.194 23.492 1.00 15.71 ? 258 HIS A ND1 1 ATOM 1384 C CD2 . HIS A 1 178 ? -11.304 22.605 22.977 1.00 15.29 ? 258 HIS A CD2 1 ATOM 1385 C CE1 . HIS A 1 178 ? -12.194 20.656 22.504 1.00 15.71 ? 258 HIS A CE1 1 ATOM 1386 N NE2 . HIS A 1 178 ? -11.227 21.492 22.172 1.00 16.10 ? 258 HIS A NE2 1 ATOM 1387 N N . GLU A 1 179 ? -10.877 21.268 26.837 1.00 11.29 ? 259 GLU A N 1 ATOM 1388 C CA . GLU A 1 179 ? -9.505 20.923 27.194 1.00 12.84 ? 259 GLU A CA 1 ATOM 1389 C C . GLU A 1 179 ? -8.997 21.746 28.377 1.00 12.04 ? 259 GLU A C 1 ATOM 1390 O O . GLU A 1 179 ? -7.839 22.176 28.415 1.00 12.13 ? 259 GLU A O 1 ATOM 1391 C CB . GLU A 1 179 ? -8.587 21.033 25.973 1.00 15.09 ? 259 GLU A CB 1 ATOM 1392 C CG . GLU A 1 179 ? -8.998 20.058 24.872 1.00 19.77 ? 259 GLU A CG 1 ATOM 1393 C CD . GLU A 1 179 ? -8.034 20.015 23.709 1.00 24.70 ? 259 GLU A CD 1 ATOM 1394 O OE1 . GLU A 1 179 ? -7.665 21.090 23.192 1.00 26.17 ? 259 GLU A OE1 1 ATOM 1395 O OE2 . GLU A 1 179 ? -7.657 18.897 23.299 1.00 27.58 ? 259 GLU A OE2 1 ATOM 1396 N N . GLY A 1 180 ? -9.879 21.960 29.346 1.00 11.07 ? 260 GLY A N 1 ATOM 1397 C CA . GLY A 1 180 ? -9.490 22.585 30.595 1.00 10.96 ? 260 GLY A CA 1 ATOM 1398 C C . GLY A 1 180 ? -9.521 24.100 30.585 1.00 10.79 ? 260 GLY A C 1 ATOM 1399 O O . GLY A 1 180 ? -9.229 24.724 31.595 1.00 10.94 ? 260 GLY A O 1 ATOM 1400 N N . MET A 1 181 ? -9.867 24.695 29.446 1.00 11.79 ? 261 MET A N 1 ATOM 1401 C CA . MET A 1 181 ? -9.985 26.148 29.352 1.00 11.08 ? 261 MET A CA 1 ATOM 1402 C C . MET A 1 181 ? -11.446 26.571 29.391 1.00 9.55 ? 261 MET A C 1 ATOM 1403 O O . MET A 1 181 ? -12.266 26.030 28.653 1.00 9.96 ? 261 MET A O 1 ATOM 1404 C CB . MET A 1 181 ? -9.370 26.649 28.049 1.00 12.92 ? 261 MET A CB 1 ATOM 1405 C CG . MET A 1 181 ? -7.959 26.164 27.803 1.00 16.05 ? 261 MET A CG 1 ATOM 1406 S SD . MET A 1 181 ? -6.837 26.590 29.148 1.00 19.96 ? 261 MET A SD 1 ATOM 1407 C CE . MET A 1 181 ? -6.896 28.383 29.105 1.00 20.16 ? 261 MET A CE 1 ATOM 1408 N N . VAL A 1 182 ? -11.775 27.539 30.240 1.00 9.71 ? 262 VAL A N 1 ATOM 1409 C CA . VAL A 1 182 ? -13.133 28.067 30.256 1.00 10.61 ? 262 VAL A CA 1 ATOM 1410 C C . VAL A 1 182 ? -13.377 28.821 28.957 1.00 10.05 ? 262 VAL A C 1 ATOM 1411 O O . VAL A 1 182 ? -12.623 29.734 28.611 1.00 12.72 ? 262 VAL A O 1 ATOM 1412 C CB . VAL A 1 182 ? -13.388 28.996 31.455 1.00 10.82 ? 262 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 182 ? -14.753 29.660 31.324 1.00 11.29 ? 262 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 182 ? -13.299 28.216 32.756 1.00 12.49 ? 262 VAL A CG2 1 ATOM 1415 N N . THR A 1 183 ? -14.423 28.434 28.235 1.00 9.98 ? 263 THR A N 1 ATOM 1416 C CA . THR A 1 183 ? -14.708 29.037 26.935 1.00 10.35 ? 263 THR A CA 1 ATOM 1417 C C . THR A 1 183 ? -16.009 29.838 26.911 1.00 10.73 ? 263 THR A C 1 ATOM 1418 O O . THR A 1 183 ? -16.250 30.594 25.973 1.00 12.35 ? 263 THR A O 1 ATOM 1419 C CB . THR A 1 183 ? -14.797 27.976 25.832 1.00 11.99 ? 263 THR A CB 1 ATOM 1420 O OG1 . THR A 1 183 ? -15.822 27.034 26.167 1.00 12.19 ? 263 THR A OG1 1 ATOM 1421 C CG2 . THR A 1 183 ? -13.464 27.254 25.663 1.00 12.74 ? 263 THR A CG2 1 ATOM 1422 N N . ASN A 1 184 ? -16.845 29.659 27.929 1.00 9.71 ? 264 ASN A N 1 ATOM 1423 C CA . ASN A 1 184 ? -18.092 30.405 28.039 1.00 10.63 ? 264 ASN A CA 1 ATOM 1424 C C . ASN A 1 184 ? -18.593 30.331 29.477 1.00 10.32 ? 264 ASN A C 1 ATOM 1425 O O . ASN A 1 184 ? -18.287 29.381 30.198 1.00 10.10 ? 264 ASN A O 1 ATOM 1426 C CB . ASN A 1 184 ? -19.141 29.822 27.084 1.00 13.34 ? 264 ASN A CB 1 ATOM 1427 C CG . ASN A 1 184 ? -20.204 30.835 26.675 1.00 16.58 ? 264 ASN A CG 1 ATOM 1428 O OD1 . ASN A 1 184 ? -20.391 31.862 27.326 1.00 17.06 ? 264 ASN A OD1 1 ATOM 1429 N ND2 . ASN A 1 184 ? -20.908 30.542 25.588 1.00 20.02 ? 264 ASN A ND2 1 ATOM 1430 N N . GLU A 1 185 ? -19.353 31.337 29.895 1.00 11.11 ? 265 GLU A N 1 ATOM 1431 C CA . GLU A 1 185 ? -20.030 31.290 31.183 1.00 12.30 ? 265 GLU A CA 1 ATOM 1432 C C . GLU A 1 185 ? -21.333 32.065 31.081 1.00 12.16 ? 265 GLU A C 1 ATOM 1433 O O . GLU A 1 185 ? -21.481 32.948 30.228 1.00 12.93 ? 265 GLU A O 1 ATOM 1434 C CB . GLU A 1 185 ? -19.154 31.876 32.295 1.00 16.64 ? 265 GLU A CB 1 ATOM 1435 C CG . GLU A 1 185 ? -19.094 33.396 32.294 1.00 22.69 ? 265 GLU A CG 1 ATOM 1436 C CD . GLU A 1 185 ? -18.495 33.962 33.567 1.00 27.46 ? 265 GLU A CD 1 ATOM 1437 O OE1 . GLU A 1 185 ? -17.404 33.506 33.963 1.00 27.47 ? 265 GLU A OE1 1 ATOM 1438 O OE2 . GLU A 1 185 ? -19.116 34.873 34.167 1.00 30.29 ? 265 GLU A OE2 1 ATOM 1439 N N . ARG A 1 186 ? -22.280 31.738 31.953 1.00 11.32 ? 266 ARG A N 1 ATOM 1440 C CA . ARG A 1 186 ? -23.572 32.407 31.943 1.00 12.22 ? 266 ARG A CA 1 ATOM 1441 C C . ARG A 1 186 ? -24.113 32.487 33.360 1.00 10.97 ? 266 ARG A C 1 ATOM 1442 O O . ARG A 1 186 ? -24.136 31.484 34.075 1.00 11.50 ? 266 ARG A O 1 ATOM 1443 C CB . ARG A 1 186 ? -24.562 31.637 31.064 1.00 13.56 ? 266 ARG A CB 1 ATOM 1444 C CG . ARG A 1 186 ? -25.932 32.297 30.945 1.00 16.39 ? 266 ARG A CG 1 ATOM 1445 C CD . ARG A 1 186 ? -25.940 33.356 29.859 1.00 19.74 ? 266 ARG A CD 1 ATOM 1446 N NE . ARG A 1 186 ? -25.758 32.764 28.538 1.00 21.13 ? 266 ARG A NE 1 ATOM 1447 C CZ . ARG A 1 186 ? -26.755 32.392 27.738 1.00 21.91 ? 266 ARG A CZ 1 ATOM 1448 N NH1 . ARG A 1 186 ? -28.018 32.559 28.118 1.00 22.81 ? 266 ARG A NH1 1 ATOM 1449 N NH2 . ARG A 1 186 ? -26.491 31.854 26.556 1.00 21.19 ? 266 ARG A NH2 1 ATOM 1450 N N . GLU A 1 187 ? -24.536 33.675 33.778 1.00 10.64 ? 267 GLU A N 1 ATOM 1451 C CA . GLU A 1 187 ? -25.195 33.785 35.068 1.00 12.03 ? 267 GLU A CA 1 ATOM 1452 C C . GLU A 1 187 ? -26.675 33.441 34.936 1.00 12.78 ? 267 GLU A C 1 ATOM 1453 O O . GLU A 1 187 ? -27.358 33.889 34.011 1.00 13.46 ? 267 GLU A O 1 ATOM 1454 C CB . GLU A 1 187 ? -25.019 35.166 35.702 1.00 14.78 ? 267 GLU A CB 1 ATOM 1455 C CG . GLU A 1 187 ? -25.747 35.271 37.032 1.00 16.93 ? 267 GLU A CG 1 ATOM 1456 C CD . GLU A 1 187 ? -25.223 36.362 37.935 1.00 19.12 ? 267 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 187 ? -24.362 37.152 37.489 1.00 21.56 ? 267 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 187 ? -25.681 36.427 39.099 1.00 18.35 ? 267 GLU A OE2 1 ATOM 1459 N N . VAL A 1 188 ? -27.152 32.634 35.873 1.00 11.94 ? 268 VAL A N 1 ATOM 1460 C CA . VAL A 1 188 ? -28.527 32.171 35.889 1.00 12.03 ? 268 VAL A CA 1 ATOM 1461 C C . VAL A 1 188 ? -29.378 33.104 36.736 1.00 13.42 ? 268 VAL A C 1 ATOM 1462 O O . VAL A 1 188 ? -29.100 33.297 37.918 1.00 15.25 ? 268 VAL A O 1 ATOM 1463 C CB . VAL A 1 188 ? -28.601 30.749 36.480 1.00 12.49 ? 268 VAL A CB 1 ATOM 1464 C CG1 . VAL A 1 188 ? -30.049 30.347 36.750 1.00 13.71 ? 268 VAL A CG1 1 ATOM 1465 C CG2 . VAL A 1 188 ? -27.915 29.753 35.548 1.00 12.86 ? 268 VAL A CG2 1 ATOM 1466 N N . SER A 1 189 ? -30.405 33.689 36.127 1.00 12.33 ? 269 SER A N 1 ATOM 1467 C CA . SER A 1 189 ? -31.335 34.546 36.848 1.00 13.65 ? 269 SER A CA 1 ATOM 1468 C C . SER A 1 189 ? -32.372 33.688 37.570 1.00 12.83 ? 269 SER A C 1 ATOM 1469 O O . SER A 1 189 ? -33.123 32.949 36.937 1.00 13.36 ? 269 SER A O 1 ATOM 1470 C CB . SER A 1 189 ? -32.022 35.508 35.878 1.00 16.35 ? 269 SER A CB 1 ATOM 1471 O OG . SER A 1 189 ? -32.950 36.337 36.556 1.00 18.93 ? 269 SER A OG 1 ATOM 1472 N N . PHE A 1 190 ? -32.410 33.786 38.895 1.00 11.61 ? 270 PHE A N 1 ATOM 1473 C CA . PHE A 1 190 ? -33.257 32.915 39.705 1.00 11.58 ? 270 PHE A CA 1 ATOM 1474 C C . PHE A 1 190 ? -33.643 33.655 40.980 1.00 12.70 ? 270 PHE A C 1 ATOM 1475 O O . PHE A 1 190 ? -33.274 33.258 42.083 1.00 12.95 ? 270 PHE A O 1 ATOM 1476 C CB . PHE A 1 190 ? -32.495 31.624 40.025 1.00 11.06 ? 270 PHE A CB 1 ATOM 1477 C CG . PHE A 1 190 ? -33.365 30.469 40.460 1.00 11.25 ? 270 PHE A CG 1 ATOM 1478 C CD1 . PHE A 1 190 ? -34.689 30.372 40.064 1.00 11.40 ? 270 PHE A CD1 1 ATOM 1479 C CD2 . PHE A 1 190 ? -32.830 29.455 41.243 1.00 11.63 ? 270 PHE A CD2 1 ATOM 1480 C CE1 . PHE A 1 190 ? -35.472 29.291 40.461 1.00 11.83 ? 270 PHE A CE1 1 ATOM 1481 C CE2 . PHE A 1 190 ? -33.605 28.367 41.644 1.00 11.45 ? 270 PHE A CE2 1 ATOM 1482 C CZ . PHE A 1 190 ? -34.929 28.286 41.249 1.00 12.17 ? 270 PHE A CZ 1 ATOM 1483 N N . GLN A 1 191 ? -34.374 34.752 40.819 1.00 14.93 ? 271 GLN A N 1 ATOM 1484 C CA . GLN A 1 191 ? -34.764 35.578 41.954 1.00 17.10 ? 271 GLN A CA 1 ATOM 1485 C C . GLN A 1 191 ? -35.698 34.828 42.893 1.00 15.38 ? 271 GLN A C 1 ATOM 1486 O O . GLN A 1 191 ? -36.737 34.323 42.475 1.00 15.97 ? 271 GLN A O 1 ATOM 1487 C CB . GLN A 1 191 ? -35.417 36.875 41.471 1.00 21.63 ? 271 GLN A CB 1 ATOM 1488 C CG . GLN A 1 191 ? -34.449 37.818 40.784 1.00 27.36 ? 271 GLN A CG 1 ATOM 1489 C CD . GLN A 1 191 ? -33.349 38.295 41.715 1.00 32.77 ? 271 GLN A CD 1 ATOM 1490 O OE1 . GLN A 1 191 ? -32.204 37.848 41.626 1.00 34.88 ? 271 GLN A OE1 1 ATOM 1491 N NE2 . GLN A 1 191 ? -33.694 39.205 42.621 1.00 35.08 ? 271 GLN A NE2 1 ATOM 1492 N N . GLY A 1 192 ? -35.319 34.761 44.164 1.00 14.52 ? 272 GLY A N 1 ATOM 1493 C CA . GLY A 1 192 ? -36.096 34.039 45.154 1.00 14.16 ? 272 GLY A CA 1 ATOM 1494 C C . GLY A 1 192 ? -35.719 32.571 45.224 1.00 13.66 ? 272 GLY A C 1 ATOM 1495 O O . GLY A 1 192 ? -36.181 31.841 46.105 1.00 14.16 ? 272 GLY A O 1 ATOM 1496 N N . GLY A 1 193 ? -34.875 32.138 44.290 1.00 11.74 ? 273 GLY A N 1 ATOM 1497 C CA . GLY A 1 193 ? -34.413 30.763 44.261 1.00 11.80 ? 273 GLY A CA 1 ATOM 1498 C C . GLY A 1 193 ? -32.985 30.645 44.755 1.00 11.20 ? 273 GLY A C 1 ATOM 1499 O O . GLY A 1 193 ? -32.257 31.634 44.836 1.00 11.96 ? 273 GLY A O 1 ATOM 1500 N N . HIS A 1 194 ? -32.585 29.426 45.093 1.00 10.73 ? 274 HIS A N 1 ATOM 1501 C CA . HIS A 1 194 ? -31.254 29.174 45.623 1.00 10.55 ? 274 HIS A CA 1 ATOM 1502 C C . HIS A 1 194 ? -30.762 27.866 45.036 1.00 9.95 ? 274 HIS A C 1 ATOM 1503 O O . HIS A 1 194 ? -31.470 26.865 45.075 1.00 10.65 ? 274 HIS A O 1 ATOM 1504 C CB . HIS A 1 194 ? -31.314 29.090 47.153 1.00 10.17 ? 274 HIS A CB 1 ATOM 1505 C CG . HIS A 1 194 ? -29.991 29.292 47.829 1.00 11.23 ? 274 HIS A CG 1 ATOM 1506 N ND1 . HIS A 1 194 ? -29.299 28.264 48.434 1.00 12.43 ? 274 HIS A ND1 1 ATOM 1507 C CD2 . HIS A 1 194 ? -29.243 30.408 48.009 1.00 12.48 ? 274 HIS A CD2 1 ATOM 1508 C CE1 . HIS A 1 194 ? -28.180 28.738 48.956 1.00 12.92 ? 274 HIS A CE1 1 ATOM 1509 N NE2 . HIS A 1 194 ? -28.119 30.034 48.707 1.00 12.15 ? 274 HIS A NE2 1 ATOM 1510 N N . ILE A 1 195 ? -29.557 27.886 44.474 1.00 9.27 ? 275 ILE A N 1 ATOM 1511 C CA . ILE A 1 195 ? -28.989 26.716 43.815 1.00 9.95 ? 275 ILE A CA 1 ATOM 1512 C C . ILE A 1 195 ? -27.614 26.401 44.378 1.00 10.01 ? 275 ILE A C 1 ATOM 1513 O O . ILE A 1 195 ? -26.733 27.261 44.399 1.00 11.33 ? 275 ILE A O 1 ATOM 1514 C CB . ILE A 1 195 ? -28.844 26.942 42.297 1.00 11.36 ? 275 ILE A CB 1 ATOM 1515 C CG1 . ILE A 1 195 ? -30.219 27.040 41.634 1.00 13.04 ? 275 ILE A CG1 1 ATOM 1516 C CG2 . ILE A 1 195 ? -28.024 25.820 41.663 1.00 10.94 ? 275 ILE A CG2 1 ATOM 1517 C CD1 . ILE A 1 195 ? -30.161 27.450 40.174 1.00 13.44 ? 275 ILE A CD1 1 ATOM 1518 N N . GLU A 1 196 ? -27.447 25.165 44.834 1.00 10.03 ? 276 GLU A N 1 ATOM 1519 C CA . GLU A 1 196 ? -26.169 24.661 45.317 1.00 10.47 ? 276 GLU A CA 1 ATOM 1520 C C . GLU A 1 196 ? -26.035 23.201 44.942 1.00 9.22 ? 276 GLU A C 1 ATOM 1521 O O . GLU A 1 196 ? -27.037 22.507 44.753 1.00 9.71 ? 276 GLU A O 1 ATOM 1522 C CB . GLU A 1 196 ? -26.086 24.744 46.841 1.00 10.86 ? 276 GLU A CB 1 ATOM 1523 C CG . GLU A 1 196 ? -26.139 26.143 47.391 1.00 13.39 ? 276 GLU A CG 1 ATOM 1524 C CD . GLU A 1 196 ? -25.851 26.181 48.871 1.00 15.11 ? 276 GLU A CD 1 ATOM 1525 O OE1 . GLU A 1 196 ? -26.297 25.253 49.583 1.00 14.61 ? 276 GLU A OE1 1 ATOM 1526 O OE2 . GLU A 1 196 ? -25.188 27.140 49.320 1.00 15.19 ? 276 GLU A OE2 1 ATOM 1527 N N . GLU A 1 197 ? -24.793 22.736 44.860 1.00 8.94 ? 277 GLU A N 1 ATOM 1528 C CA . GLU A 1 197 ? -24.504 21.307 44.790 1.00 8.96 ? 277 GLU A CA 1 ATOM 1529 C C . GLU A 1 197 ? -25.344 20.565 43.751 1.00 8.20 ? 277 GLU A C 1 ATOM 1530 O O . GLU A 1 197 ? -25.964 19.537 44.039 1.00 7.48 ? 277 GLU A O 1 ATOM 1531 C CB . GLU A 1 197 ? -24.658 20.691 46.182 1.00 9.21 ? 277 GLU A CB 1 ATOM 1532 C CG . GLU A 1 197 ? -23.628 21.236 47.158 1.00 9.05 ? 277 GLU A CG 1 ATOM 1533 C CD . GLU A 1 197 ? -23.854 20.812 48.592 1.00 10.44 ? 277 GLU A CD 1 ATOM 1534 O OE1 . GLU A 1 197 ? -24.982 20.398 48.937 1.00 9.85 ? 277 GLU A OE1 1 ATOM 1535 O OE2 . GLU A 1 197 ? -22.890 20.909 49.379 1.00 10.85 ? 277 GLU A OE2 1 ATOM 1536 N N . CYS A 1 198 ? -25.345 21.083 42.529 1.00 7.98 ? 278 CYS A N 1 ATOM 1537 C CA . CYS A 1 198 ? -26.143 20.479 41.470 1.00 8.38 ? 278 CYS A CA 1 ATOM 1538 C C . CYS A 1 198 ? -25.681 19.080 41.111 1.00 8.17 ? 278 CYS A C 1 ATOM 1539 O O . CYS A 1 198 ? -24.484 18.826 40.972 1.00 8.65 ? 278 CYS A O 1 ATOM 1540 C CB . CYS A 1 198 ? -26.138 21.356 40.223 1.00 10.89 ? 278 CYS A CB 1 ATOM 1541 S SG . CYS A 1 198 ? -27.136 22.835 40.411 1.00 14.39 ? 278 CYS A SG 1 ATOM 1542 N N . SER A 1 199 ? -26.647 18.178 40.963 1.00 7.49 ? 279 SER A N 1 ATOM 1543 C CA . SER A 1 199 ? -26.396 16.849 40.419 1.00 8.45 ? 279 SER A CA 1 ATOM 1544 C C . SER A 1 199 ? -26.853 16.852 38.971 1.00 7.76 ? 279 SER A C 1 ATOM 1545 O O . SER A 1 199 ? -28.052 16.948 38.694 1.00 7.81 ? 279 SER A O 1 ATOM 1546 C CB . SER A 1 199 ? -27.158 15.785 41.209 1.00 9.28 ? 279 SER A CB 1 ATOM 1547 O OG . SER A 1 199 ? -26.611 15.614 42.507 1.00 10.70 ? 279 SER A OG 1 ATOM 1548 N N . CYS A 1 200 ? -25.900 16.755 38.049 1.00 8.11 ? 280 CYS A N 1 ATOM 1549 C CA . CYS A 1 200 ? -26.185 16.964 36.636 1.00 8.43 ? 280 CYS A CA 1 ATOM 1550 C C . CYS A 1 200 ? -25.855 15.735 35.816 1.00 8.27 ? 280 CYS A C 1 ATOM 1551 O O . CYS A 1 200 ? -24.952 14.972 36.159 1.00 10.51 ? 280 CYS A O 1 ATOM 1552 C CB . CYS A 1 200 ? -25.381 18.149 36.097 1.00 10.35 ? 280 CYS A CB 1 ATOM 1553 S SG . CYS A 1 200 ? -25.636 19.705 36.983 1.00 11.56 ? 280 CYS A SG 1 ATOM 1554 N N . TYR A 1 201 ? -26.573 15.563 34.712 1.00 8.32 ? 281 TYR A N 1 ATOM 1555 C CA . TYR A 1 201 ? -26.320 14.447 33.810 1.00 8.42 ? 281 TYR A CA 1 ATOM 1556 C C . TYR A 1 201 ? -26.732 14.860 32.402 1.00 9.81 ? 281 TYR A C 1 ATOM 1557 O O . TYR A 1 201 ? -27.559 15.760 32.231 1.00 10.33 ? 281 TYR A O 1 ATOM 1558 C CB . TYR A 1 201 ? -27.120 13.217 34.256 1.00 8.54 ? 281 TYR A CB 1 ATOM 1559 C CG . TYR A 1 201 ? -28.598 13.494 34.289 1.00 8.48 ? 281 TYR A CG 1 ATOM 1560 C CD1 . TYR A 1 201 ? -29.196 14.024 35.426 1.00 9.51 ? 281 TYR A CD1 1 ATOM 1561 C CD2 . TYR A 1 201 ? -29.386 13.283 33.166 1.00 9.53 ? 281 TYR A CD2 1 ATOM 1562 C CE1 . TYR A 1 201 ? -30.547 14.307 35.456 1.00 9.30 ? 281 TYR A CE1 1 ATOM 1563 C CE2 . TYR A 1 201 ? -30.743 13.571 33.184 1.00 10.11 ? 281 TYR A CE2 1 ATOM 1564 C CZ . TYR A 1 201 ? -31.316 14.081 34.335 1.00 9.71 ? 281 TYR A CZ 1 ATOM 1565 O OH . TYR A 1 201 ? -32.660 14.380 34.365 1.00 11.58 ? 281 TYR A OH 1 ATOM 1566 N N . PRO A 1 202 ? -26.146 14.217 31.383 1.00 9.22 ? 282 PRO A N 1 ATOM 1567 C CA . PRO A 1 202 ? -26.553 14.501 30.004 1.00 9.82 ? 282 PRO A CA 1 ATOM 1568 C C . PRO A 1 202 ? -27.839 13.774 29.630 1.00 9.39 ? 282 PRO A C 1 ATOM 1569 O O . PRO A 1 202 ? -28.054 12.638 30.046 1.00 11.73 ? 282 PRO A O 1 ATOM 1570 C CB . PRO A 1 202 ? -25.389 13.954 29.177 1.00 10.83 ? 282 PRO A CB 1 ATOM 1571 C CG . PRO A 1 202 ? -24.793 12.881 30.028 1.00 10.21 ? 282 PRO A CG 1 ATOM 1572 C CD . PRO A 1 202 ? -24.989 13.303 31.453 1.00 9.77 ? 282 PRO A CD 1 ATOM 1573 N N . ASN A 1 203 ? -28.685 14.429 28.844 1.00 10.12 ? 283 ASN A N 1 ATOM 1574 C CA . ASN A 1 203 ? -29.912 13.809 28.355 1.00 11.18 ? 283 ASN A CA 1 ATOM 1575 C C . ASN A 1 203 ? -30.267 14.427 27.011 1.00 11.95 ? 283 ASN A C 1 ATOM 1576 O O . ASN A 1 203 ? -30.672 15.586 26.945 1.00 13.22 ? 283 ASN A O 1 ATOM 1577 C CB . ASN A 1 203 ? -31.047 13.994 29.369 1.00 11.39 ? 283 ASN A CB 1 ATOM 1578 C CG . ASN A 1 203 ? -32.274 13.138 29.061 1.00 11.58 ? 283 ASN A CG 1 ATOM 1579 O OD1 . ASN A 1 203 ? -32.301 12.378 28.092 1.00 12.20 ? 283 ASN A OD1 1 ATOM 1580 N ND2 . ASN A 1 203 ? -33.301 13.263 29.901 1.00 11.77 ? 283 ASN A ND2 1 ATOM 1581 N N . LEU A 1 204 ? -30.085 13.654 25.943 1.00 12.71 ? 284 LEU A N 1 ATOM 1582 C CA . LEU A 1 204 ? -30.380 14.114 24.588 1.00 14.38 ? 284 LEU A CA 1 ATOM 1583 C C . LEU A 1 204 ? -29.683 15.432 24.245 1.00 14.48 ? 284 LEU A C 1 ATOM 1584 O O . LEU A 1 204 ? -30.261 16.318 23.609 1.00 16.26 ? 284 LEU A O 1 ATOM 1585 C CB . LEU A 1 204 ? -31.891 14.214 24.359 1.00 17.52 ? 284 LEU A CB 1 ATOM 1586 C CG . LEU A 1 204 ? -32.328 13.993 22.908 1.00 22.66 ? 284 LEU A CG 1 ATOM 1587 C CD1 . LEU A 1 204 ? -31.836 12.646 22.399 1.00 24.12 ? 284 LEU A CD1 1 ATOM 1588 C CD2 . LEU A 1 204 ? -33.836 14.093 22.771 1.00 23.86 ? 284 LEU A CD2 1 ATOM 1589 N N . GLY A 1 205 ? -28.430 15.552 24.671 1.00 13.24 ? 285 GLY A N 1 ATOM 1590 C CA . GLY A 1 205 ? -27.596 16.667 24.263 1.00 14.40 ? 285 GLY A CA 1 ATOM 1591 C C . GLY A 1 205 ? -27.748 17.911 25.115 1.00 14.50 ? 285 GLY A C 1 ATOM 1592 O O . GLY A 1 205 ? -27.135 18.942 24.834 1.00 15.62 ? 285 GLY A O 1 ATOM 1593 N N . LYS A 1 206 ? -28.570 17.823 26.154 1.00 13.49 ? 286 LYS A N 1 ATOM 1594 C CA . LYS A 1 206 ? -28.682 18.912 27.113 1.00 14.10 ? 286 LYS A CA 1 ATOM 1595 C C . LYS A 1 206 ? -28.205 18.439 28.470 1.00 12.97 ? 286 LYS A C 1 ATOM 1596 O O . LYS A 1 206 ? -28.129 17.239 28.722 1.00 14.08 ? 286 LYS A O 1 ATOM 1597 C CB . LYS A 1 206 ? -30.120 19.412 27.205 1.00 16.05 ? 286 LYS A CB 1 ATOM 1598 C CG . LYS A 1 206 ? -30.619 20.009 25.906 1.00 19.60 ? 286 LYS A CG 1 ATOM 1599 C CD . LYS A 1 206 ? -31.907 20.771 26.108 1.00 23.02 ? 286 LYS A CD 1 ATOM 1600 C CE . LYS A 1 206 ? -32.417 21.318 24.786 1.00 25.23 ? 286 LYS A CE 1 ATOM 1601 N NZ . LYS A 1 206 ? -33.608 22.182 24.990 1.00 27.60 ? 286 LYS A NZ 1 ATOM 1602 N N . VAL A 1 207 ? -27.867 19.386 29.336 1.00 10.86 ? 287 VAL A N 1 ATOM 1603 C CA . VAL A 1 207 ? -27.490 19.050 30.698 1.00 10.48 ? 287 VAL A CA 1 ATOM 1604 C C . VAL A 1 207 ? -28.685 19.315 31.593 1.00 10.03 ? 287 VAL A C 1 ATOM 1605 O O . VAL A 1 207 ? -29.226 20.421 31.602 1.00 11.32 ? 287 VAL A O 1 ATOM 1606 C CB . VAL A 1 207 ? -26.294 19.880 31.181 1.00 10.72 ? 287 VAL A CB 1 ATOM 1607 C CG1 . VAL A 1 207 ? -25.908 19.477 32.602 1.00 11.38 ? 287 VAL A CG1 1 ATOM 1608 C CG2 . VAL A 1 207 ? -25.116 19.708 30.229 1.00 12.47 ? 287 VAL A CG2 1 ATOM 1609 N N . GLU A 1 208 ? -29.108 18.284 32.317 1.00 9.27 ? 288 GLU A N 1 ATOM 1610 C CA . GLU A 1 208 ? -30.197 18.408 33.279 1.00 9.05 ? 288 GLU A CA 1 ATOM 1611 C C . GLU A 1 208 ? -29.648 18.273 34.694 1.00 8.44 ? 288 GLU A C 1 ATOM 1612 O O . GLU A 1 208 ? -28.922 17.321 35.003 1.00 9.21 ? 288 GLU A O 1 ATOM 1613 C CB . GLU A 1 208 ? -31.295 17.378 32.989 1.00 10.13 ? 288 GLU A CB 1 ATOM 1614 C CG . GLU A 1 208 ? -31.935 17.568 31.607 1.00 10.76 ? 288 GLU A CG 1 ATOM 1615 C CD . GLU A 1 208 ? -32.973 16.510 31.253 1.00 11.37 ? 288 GLU A CD 1 ATOM 1616 O OE1 . GLU A 1 208 ? -33.051 15.471 31.945 1.00 10.48 ? 288 GLU A OE1 1 ATOM 1617 O OE2 . GLU A 1 208 ? -33.712 16.720 30.267 1.00 13.18 ? 288 GLU A OE2 1 ATOM 1618 N N . CYS A 1 209 ? -29.987 19.240 35.543 1.00 8.06 ? 289 CYS A N 1 ATOM 1619 C CA . CYS A 1 209 ? -29.459 19.303 36.900 1.00 8.18 ? 289 CYS A CA 1 ATOM 1620 C C . CYS A 1 209 ? -30.577 19.344 37.928 1.00 9.31 ? 289 CYS A C 1 ATOM 1621 O O . CYS A 1 209 ? -31.568 20.054 37.754 1.00 11.19 ? 289 CYS A O 1 ATOM 1622 C CB . CYS A 1 209 ? -28.595 20.555 37.087 1.00 10.23 ? 289 CYS A CB 1 ATOM 1623 S SG . CYS A 1 209 ? -27.149 20.681 36.012 1.00 12.65 ? 289 CYS A SG 1 ATOM 1624 N N . VAL A 1 210 ? -30.398 18.590 39.006 1.00 7.94 ? 290 VAL A N 1 ATOM 1625 C CA . VAL A 1 210 ? -31.285 18.653 40.160 1.00 8.02 ? 290 VAL A CA 1 ATOM 1626 C C . VAL A 1 210 ? -30.433 19.102 41.345 1.00 8.42 ? 290 VAL A C 1 ATOM 1627 O O . VAL A 1 210 ? -29.405 18.490 41.648 1.00 9.67 ? 290 VAL A O 1 ATOM 1628 C CB . VAL A 1 210 ? -31.925 17.281 40.436 1.00 9.30 ? 290 VAL A CB 1 ATOM 1629 C CG1 . VAL A 1 210 ? -32.838 17.344 41.656 1.00 10.99 ? 290 VAL A CG1 1 ATOM 1630 C CG2 . VAL A 1 210 ? -32.684 16.795 39.192 1.00 10.48 ? 290 VAL A CG2 1 ATOM 1631 N N . CYS A 1 211 ? -30.836 20.182 42.007 1.00 7.83 ? 291 CYS A N 1 ATOM 1632 C CA . CYS A 1 211 ? -29.933 20.837 42.952 1.00 8.32 ? 291 CYS A CA 1 ATOM 1633 C C . CYS A 1 211 ? -30.480 20.938 44.373 1.00 8.36 ? 291 CYS A C 1 ATOM 1634 O O . CYS A 1 211 ? -31.506 20.329 44.705 1.00 8.55 ? 291 CYS A O 1 ATOM 1635 C CB . CYS A 1 211 ? -29.549 22.227 42.427 1.00 10.25 ? 291 CYS A CB 1 ATOM 1636 S SG . CYS A 1 211 ? -29.103 22.242 40.653 1.00 13.18 ? 291 CYS A SG 1 ATOM 1637 N N . ARG A 1 212 ? -29.770 21.699 45.203 1.00 7.33 ? 292 ARG A N 1 ATOM 1638 C CA . ARG A 1 212 ? -30.147 21.938 46.587 1.00 7.51 ? 292 ARG A CA 1 ATOM 1639 C C . ARG A 1 212 ? -30.476 23.412 46.775 1.00 9.03 ? 292 ARG A C 1 ATOM 1640 O O . ARG A 1 212 ? -29.688 24.275 46.405 1.00 9.05 ? 292 ARG A O 1 ATOM 1641 C CB . ARG A 1 212 ? -28.986 21.547 47.505 1.00 7.71 ? 292 ARG A CB 1 ATOM 1642 C CG . ARG A 1 212 ? -29.069 22.062 48.943 1.00 7.87 ? 292 ARG A CG 1 ATOM 1643 C CD . ARG A 1 212 ? -27.773 21.704 49.679 1.00 7.79 ? 292 ARG A CD 1 ATOM 1644 N NE . ARG A 1 212 ? -27.698 22.211 51.050 1.00 7.78 ? 292 ARG A NE 1 ATOM 1645 C CZ . ARG A 1 212 ? -26.768 21.836 51.930 1.00 7.84 ? 292 ARG A CZ 1 ATOM 1646 N NH1 . ARG A 1 212 ? -25.849 20.937 51.595 1.00 8.02 ? 292 ARG A NH1 1 ATOM 1647 N NH2 . ARG A 1 212 ? -26.761 22.345 53.156 1.00 7.98 ? 292 ARG A NH2 1 ATOM 1648 N N . ASP A 1 213 ? -31.647 23.694 47.337 1.00 8.97 ? 293 ASP A N 1 ATOM 1649 C CA . ASP A 1 213 ? -32.016 25.048 47.717 1.00 8.67 ? 293 ASP A CA 1 ATOM 1650 C C . ASP A 1 213 ? -31.775 25.143 49.218 1.00 9.25 ? 293 ASP A C 1 ATOM 1651 O O . ASP A 1 213 ? -32.383 24.405 49.977 1.00 10.45 ? 293 ASP A O 1 ATOM 1652 C CB . ASP A 1 213 ? -33.491 25.296 47.362 1.00 9.43 ? 293 ASP A CB 1 ATOM 1653 C CG . ASP A 1 213 ? -33.983 26.674 47.779 1.00 11.11 ? 293 ASP A CG 1 ATOM 1654 O OD1 . ASP A 1 213 ? -33.725 27.093 48.925 1.00 10.94 ? 293 ASP A OD1 1 ATOM 1655 O OD2 . ASP A 1 213 ? -34.663 27.332 46.961 1.00 11.82 ? 293 ASP A OD2 1 ATOM 1656 N N . ASN A 1 214 ? -30.868 26.016 49.649 1.00 8.30 ? 294 ASN A N 1 ATOM 1657 C CA . ASN A 1 214 ? -30.504 26.092 51.068 1.00 7.92 ? 294 ASN A CA 1 ATOM 1658 C C . ASN A 1 214 ? -31.152 27.294 51.745 1.00 9.06 ? 294 ASN A C 1 ATOM 1659 O O . ASN A 1 214 ? -30.752 27.709 52.843 1.00 9.22 ? 294 ASN A O 1 ATOM 1660 C CB . ASN A 1 214 ? -28.983 26.166 51.218 1.00 8.45 ? 294 ASN A CB 1 ATOM 1661 C CG . ASN A 1 214 ? -28.496 25.579 52.528 1.00 10.51 ? 294 ASN A CG 1 ATOM 1662 O OD1 . ASN A 1 214 ? -28.727 24.404 52.816 1.00 11.23 ? 294 ASN A OD1 1 ATOM 1663 N ND2 . ASN A 1 214 ? -27.801 26.390 53.321 1.00 11.43 ? 294 ASN A ND2 1 ATOM 1664 N N . TRP A 1 215 ? -32.162 27.839 51.077 1.00 9.85 ? 295 TRP A N 1 ATOM 1665 C CA . TRP A 1 215 ? -32.807 29.080 51.481 1.00 10.18 ? 295 TRP A CA 1 ATOM 1666 C C . TRP A 1 215 ? -34.273 28.787 51.807 1.00 11.30 ? 295 TRP A C 1 ATOM 1667 O O . TRP A 1 215 ? -34.575 28.266 52.879 1.00 13.37 ? 295 TRP A O 1 ATOM 1668 C CB . TRP A 1 215 ? -32.659 30.104 50.351 1.00 10.35 ? 295 TRP A CB 1 ATOM 1669 C CG . TRP A 1 215 ? -33.148 31.497 50.640 1.00 10.07 ? 295 TRP A CG 1 ATOM 1670 C CD1 . TRP A 1 215 ? -33.474 32.027 51.854 1.00 11.15 ? 295 TRP A CD1 1 ATOM 1671 C CD2 . TRP A 1 215 ? -33.353 32.539 49.678 1.00 10.84 ? 295 TRP A CD2 1 ATOM 1672 N NE1 . TRP A 1 215 ? -33.880 33.334 51.704 1.00 12.08 ? 295 TRP A NE1 1 ATOM 1673 C CE2 . TRP A 1 215 ? -33.813 33.671 50.378 1.00 12.04 ? 295 TRP A CE2 1 ATOM 1674 C CE3 . TRP A 1 215 ? -33.194 32.619 48.292 1.00 12.17 ? 295 TRP A CE3 1 ATOM 1675 C CZ2 . TRP A 1 215 ? -34.116 34.874 49.737 1.00 12.58 ? 295 TRP A CZ2 1 ATOM 1676 C CZ3 . TRP A 1 215 ? -33.494 33.811 47.656 1.00 11.83 ? 295 TRP A CZ3 1 ATOM 1677 C CH2 . TRP A 1 215 ? -33.949 34.924 48.380 1.00 12.61 ? 295 TRP A CH2 1 ATOM 1678 N N . ASN A 1 216 ? -35.177 29.079 50.877 1.00 10.78 ? 296 ASN A N 1 ATOM 1679 C CA . ASN A 1 216 ? -36.612 28.923 51.133 1.00 12.05 ? 296 ASN A CA 1 ATOM 1680 C C . ASN A 1 216 ? -37.286 27.681 50.549 1.00 11.78 ? 296 ASN A C 1 ATOM 1681 O O . ASN A 1 216 ? -38.512 27.561 50.620 1.00 12.59 ? 296 ASN A O 1 ATOM 1682 C CB . ASN A 1 216 ? -37.369 30.165 50.649 1.00 13.32 ? 296 ASN A CB 1 ATOM 1683 C CG . ASN A 1 216 ? -37.074 31.391 51.486 1.00 15.36 ? 296 ASN A CG 1 ATOM 1684 O OD1 . ASN A 1 216 ? -37.070 32.517 50.980 1.00 17.29 ? 296 ASN A OD1 1 ATOM 1685 N ND2 . ASN A 1 216 ? -36.833 31.184 52.771 1.00 14.89 ? 296 ASN A ND2 1 ATOM 1686 N N . GLY A 1 217 ? -36.518 26.759 49.977 1.00 11.27 ? 297 GLY A N 1 ATOM 1687 C CA . GLY A 1 217 ? -37.133 25.619 49.311 1.00 11.84 ? 297 GLY A CA 1 ATOM 1688 C C . GLY A 1 217 ? -36.822 24.245 49.876 1.00 12.44 ? 297 GLY A C 1 ATOM 1689 O O . GLY A 1 217 ? -35.660 23.894 50.052 1.00 12.15 ? 297 GLY A O 1 ATOM 1690 N N . MET A 1 218 ? -37.868 23.464 50.155 1.00 10.12 ? 298 MET A N 1 ATOM 1691 C CA . MET A 1 218 ? -37.711 22.059 50.516 1.00 10.38 ? 298 MET A CA 1 ATOM 1692 C C . MET A 1 218 ? -37.959 21.213 49.271 1.00 10.50 ? 298 MET A C 1 ATOM 1693 O O . MET A 1 218 ? -37.789 19.993 49.294 1.00 10.95 ? 298 MET A O 1 ATOM 1694 C CB . MET A 1 218 ? -38.682 21.655 51.627 1.00 11.20 ? 298 MET A CB 1 ATOM 1695 C CG . MET A 1 218 ? -40.119 21.500 51.156 1.00 11.91 ? 298 MET A CG 1 ATOM 1696 S SD . MET A 1 218 ? -41.267 20.990 52.456 1.00 13.80 ? 298 MET A SD 1 ATOM 1697 C CE . MET A 1 218 ? -41.745 22.571 53.154 1.00 14.53 ? 298 MET A CE 1 ATOM 1698 N N . ASN A 1 219 ? -38.387 21.866 48.191 1.00 11.43 ? 299 ASN A N 1 ATOM 1699 C CA . ASN A 1 219 ? -38.344 21.249 46.869 1.00 10.98 ? 299 ASN A CA 1 ATOM 1700 C C . ASN A 1 219 ? -37.008 21.560 46.194 1.00 10.16 ? 299 ASN A C 1 ATOM 1701 O O . ASN A 1 219 ? -36.325 22.520 46.566 1.00 9.90 ? 299 ASN A O 1 ATOM 1702 C CB . ASN A 1 219 ? -39.554 21.639 45.994 1.00 12.17 ? 299 ASN A CB 1 ATOM 1703 C CG . ASN A 1 219 ? -39.821 23.145 45.956 1.00 12.09 ? 299 ASN A CG 1 ATOM 1704 O OD1 . ASN A 1 219 ? -39.283 23.916 46.750 1.00 13.11 ? 299 ASN A OD1 1 ATOM 1705 N ND2 . ASN A 1 219 ? -40.681 23.564 45.025 1.00 12.01 ? 299 ASN A ND2 1 ATOM 1706 N N . ARG A 1 220 ? -36.621 20.738 45.223 1.00 9.46 ? 300 ARG A N 1 ATOM 1707 C CA . ARG A 1 220 ? -35.305 20.872 44.598 1.00 8.47 ? 300 ARG A CA 1 ATOM 1708 C C . ARG A 1 220 ? -35.341 21.698 43.327 1.00 8.84 ? 300 ARG A C 1 ATOM 1709 O O . ARG A 1 220 ? -36.188 21.474 42.468 1.00 10.06 ? 300 ARG A O 1 ATOM 1710 C CB . ARG A 1 220 ? -34.710 19.497 44.291 1.00 7.92 ? 300 ARG A CB 1 ATOM 1711 C CG . ARG A 1 220 ? -34.327 18.713 45.527 1.00 7.47 ? 300 ARG A CG 1 ATOM 1712 C CD . ARG A 1 220 ? -33.363 17.578 45.204 1.00 8.20 ? 300 ARG A CD 1 ATOM 1713 N NE . ARG A 1 220 ? -32.970 16.868 46.419 1.00 9.25 ? 300 ARG A NE 1 ATOM 1714 C CZ . ARG A 1 220 ? -32.060 17.314 47.284 1.00 8.38 ? 300 ARG A CZ 1 ATOM 1715 N NH1 . ARG A 1 220 ? -31.429 18.464 47.067 1.00 8.32 ? 300 ARG A NH1 1 ATOM 1716 N NH2 . ARG A 1 220 ? -31.777 16.605 48.367 1.00 8.20 ? 300 ARG A NH2 1 ATOM 1717 N N . PRO A 1 221 ? -34.414 22.660 43.199 1.00 8.25 ? 301 PRO A N 1 ATOM 1718 C CA . PRO A 1 221 ? -34.331 23.396 41.935 1.00 9.32 ? 301 PRO A CA 1 ATOM 1719 C C . PRO A 1 221 ? -33.955 22.469 40.793 1.00 10.88 ? 301 PRO A C 1 ATOM 1720 O O . PRO A 1 221 ? -33.214 21.503 40.988 1.00 11.11 ? 301 PRO A O 1 ATOM 1721 C CB . PRO A 1 221 ? -33.198 24.398 42.181 1.00 10.90 ? 301 PRO A CB 1 ATOM 1722 C CG . PRO A 1 221 ? -33.132 24.547 43.657 1.00 10.89 ? 301 PRO A CG 1 ATOM 1723 C CD . PRO A 1 221 ? -33.490 23.194 44.214 1.00 8.55 ? 301 PRO A CD 1 ATOM 1724 N N . ILE A 1 222 ? -34.483 22.767 39.615 1.00 10.91 ? 302 ILE A N 1 ATOM 1725 C CA . ILE A 1 222 ? -34.090 22.096 38.389 1.00 12.13 ? 302 ILE A CA 1 ATOM 1726 C C . ILE A 1 222 ? -33.490 23.138 37.457 1.00 12.14 ? 302 ILE A C 1 ATOM 1727 O O . ILE A 1 222 ? -34.069 24.208 37.255 1.00 13.71 ? 302 ILE A O 1 ATOM 1728 C CB . ILE A 1 222 ? -35.295 21.451 37.692 1.00 15.04 ? 302 ILE A CB 1 ATOM 1729 C CG1 . ILE A 1 222 ? -35.915 20.376 38.582 1.00 17.33 ? 302 ILE A CG1 1 ATOM 1730 C CG2 . ILE A 1 222 ? -34.881 20.864 36.349 1.00 16.47 ? 302 ILE A CG2 1 ATOM 1731 C CD1 . ILE A 1 222 ? -34.964 19.288 38.962 1.00 18.47 ? 302 ILE A CD1 1 ATOM 1732 N N . LEU A 1 223 ? -32.325 22.828 36.904 1.00 10.60 ? 303 LEU A N 1 ATOM 1733 C CA . LEU A 1 223 ? -31.655 23.695 35.946 1.00 10.63 ? 303 LEU A CA 1 ATOM 1734 C C . LEU A 1 223 ? -31.315 22.870 34.713 1.00 10.29 ? 303 LEU A C 1 ATOM 1735 O O . LEU A 1 223 ? -30.654 21.839 34.813 1.00 11.27 ? 303 LEU A O 1 ATOM 1736 C CB . LEU A 1 223 ? -30.377 24.284 36.562 1.00 11.01 ? 303 LEU A CB 1 ATOM 1737 C CG . LEU A 1 223 ? -29.448 25.129 35.682 1.00 11.73 ? 303 LEU A CG 1 ATOM 1738 C CD1 . LEU A 1 223 ? -30.139 26.392 35.179 1.00 12.17 ? 303 LEU A CD1 1 ATOM 1739 C CD2 . LEU A 1 223 ? -28.186 25.501 36.453 1.00 12.07 ? 303 LEU A CD2 1 ATOM 1740 N N . ILE A 1 224 ? -31.789 23.310 33.553 1.00 9.46 ? 304 ILE A N 1 ATOM 1741 C CA . ILE A 1 224 ? -31.518 22.615 32.302 1.00 9.28 ? 304 ILE A CA 1 ATOM 1742 C C . ILE A 1 224 ? -30.846 23.582 31.340 1.00 10.19 ? 304 ILE A C 1 ATOM 1743 O O . ILE A 1 224 ? -31.309 24.703 31.165 1.00 12.14 ? 304 ILE A O 1 ATOM 1744 C CB . ILE A 1 224 ? -32.825 22.095 31.670 1.00 9.88 ? 304 ILE A CB 1 ATOM 1745 C CG1 . ILE A 1 224 ? -33.590 21.228 32.675 1.00 12.82 ? 304 ILE A CG1 1 ATOM 1746 C CG2 . ILE A 1 224 ? -32.539 21.320 30.383 1.00 11.31 ? 304 ILE A CG2 1 ATOM 1747 C CD1 . ILE A 1 224 ? -34.999 20.878 32.233 1.00 16.62 ? 304 ILE A CD1 1 ATOM 1748 N N . PHE A 1 225 ? -29.748 23.170 30.719 1.00 10.06 ? 305 PHE A N 1 ATOM 1749 C CA . PHE A 1 225 ? -29.079 24.075 29.792 1.00 9.74 ? 305 PHE A CA 1 ATOM 1750 C C . PHE A 1 225 ? -28.482 23.367 28.585 1.00 11.29 ? 305 PHE A C 1 ATOM 1751 O O . PHE A 1 225 ? -28.322 22.149 28.589 1.00 11.81 ? 305 PHE A O 1 ATOM 1752 C CB . PHE A 1 225 ? -28.040 24.943 30.513 1.00 10.21 ? 305 PHE A CB 1 ATOM 1753 C CG . PHE A 1 225 ? -26.923 24.169 31.171 1.00 10.88 ? 305 PHE A CG 1 ATOM 1754 C CD1 . PHE A 1 225 ? -25.778 23.836 30.460 1.00 12.53 ? 305 PHE A CD1 1 ATOM 1755 C CD2 . PHE A 1 225 ? -27.003 23.808 32.510 1.00 10.63 ? 305 PHE A CD2 1 ATOM 1756 C CE1 . PHE A 1 225 ? -24.738 23.138 31.068 1.00 12.45 ? 305 PHE A CE1 1 ATOM 1757 C CE2 . PHE A 1 225 ? -25.966 23.116 33.124 1.00 11.35 ? 305 PHE A CE2 1 ATOM 1758 C CZ . PHE A 1 225 ? -24.834 22.780 32.399 1.00 12.27 ? 305 PHE A CZ 1 ATOM 1759 N N . ASP A 1 226 ? -28.178 24.136 27.543 1.00 11.75 ? 306 ASP A N 1 ATOM 1760 C CA . ASP A 1 226 ? -27.611 23.571 26.323 1.00 11.79 ? 306 ASP A CA 1 ATOM 1761 C C . ASP A 1 226 ? -26.195 24.085 26.082 1.00 11.02 ? 306 ASP A C 1 ATOM 1762 O O . ASP A 1 226 ? -25.615 24.747 26.942 1.00 11.08 ? 306 ASP A O 1 ATOM 1763 C CB . ASP A 1 226 ? -28.519 23.830 25.111 1.00 13.17 ? 306 ASP A CB 1 ATOM 1764 C CG . ASP A 1 226 ? -28.698 25.309 24.806 1.00 14.32 ? 306 ASP A CG 1 ATOM 1765 O OD1 . ASP A 1 226 ? -27.859 26.124 25.234 1.00 14.50 ? 306 ASP A OD1 1 ATOM 1766 O OD2 . ASP A 1 226 ? -29.684 25.655 24.117 1.00 16.49 ? 306 ASP A OD2 1 ATOM 1767 N N . GLU A 1 227 ? -25.641 23.778 24.915 1.00 11.79 ? 308 GLU A N 1 ATOM 1768 C CA . GLU A 1 227 ? -24.241 24.085 24.636 1.00 11.53 ? 308 GLU A CA 1 ATOM 1769 C C . GLU A 1 227 ? -23.950 25.589 24.580 1.00 12.33 ? 308 GLU A C 1 ATOM 1770 O O . GLU A 1 227 ? -22.812 26.005 24.772 1.00 14.55 ? 308 GLU A O 1 ATOM 1771 C CB . GLU A 1 227 ? -23.792 23.412 23.337 1.00 13.71 ? 308 GLU A CB 1 ATOM 1772 C CG . GLU A 1 227 ? -24.510 23.934 22.112 1.00 17.12 ? 308 GLU A CG 1 ATOM 1773 C CD . GLU A 1 227 ? -24.174 23.156 20.860 1.00 22.86 ? 308 GLU A CD 1 ATOM 1774 O OE1 . GLU A 1 227 ? -25.110 22.847 20.091 1.00 25.15 ? 308 GLU A OE1 1 ATOM 1775 O OE2 . GLU A 1 227 ? -22.983 22.850 20.646 1.00 24.57 ? 308 GLU A OE2 1 ATOM 1776 N N . ASP A 1 228 ? -24.975 26.397 24.322 1.00 12.52 ? 309 ASP A N 1 ATOM 1777 C CA . ASP A 1 228 ? -24.819 27.851 24.309 1.00 12.48 ? 309 ASP A CA 1 ATOM 1778 C C . ASP A 1 228 ? -24.950 28.437 25.707 1.00 11.14 ? 309 ASP A C 1 ATOM 1779 O O . ASP A 1 228 ? -24.809 29.643 25.894 1.00 12.01 ? 309 ASP A O 1 ATOM 1780 C CB . ASP A 1 228 ? -25.873 28.499 23.416 1.00 12.58 ? 309 ASP A CB 1 ATOM 1781 C CG . ASP A 1 228 ? -25.524 28.426 21.955 1.00 16.29 ? 309 ASP A CG 1 ATOM 1782 O OD1 . ASP A 1 228 ? -24.322 28.406 21.627 1.00 17.99 ? 309 ASP A OD1 1 ATOM 1783 O OD2 . ASP A 1 228 ? -26.459 28.409 21.131 1.00 17.51 ? 309 ASP A OD2 1 ATOM 1784 N N . LEU A 1 229 ? -25.227 27.568 26.675 1.00 10.93 ? 310 LEU A N 1 ATOM 1785 C CA . LEU A 1 229 ? -25.538 27.962 28.049 1.00 11.08 ? 310 LEU A CA 1 ATOM 1786 C C . LEU A 1 229 ? -26.877 28.696 28.175 1.00 12.48 ? 310 LEU A C 1 ATOM 1787 O O . LEU A 1 229 ? -27.121 29.386 29.164 1.00 14.31 ? 310 LEU A O 1 ATOM 1788 C CB . LEU A 1 229 ? -24.397 28.762 28.692 1.00 10.72 ? 310 LEU A CB 1 ATOM 1789 C CG . LEU A 1 229 ? -23.031 28.069 28.671 1.00 11.41 ? 310 LEU A CG 1 ATOM 1790 C CD1 . LEU A 1 229 ? -22.020 28.847 29.496 1.00 10.93 ? 310 LEU A CD1 1 ATOM 1791 C CD2 . LEU A 1 229 ? -23.125 26.626 29.174 1.00 12.08 ? 310 LEU A CD2 1 ATOM 1792 N N . ASP A 1 230 ? -27.736 28.548 27.168 1.00 12.93 ? 311 ASP A N 1 ATOM 1793 C CA . ASP A 1 230 ? -29.131 28.952 27.302 1.00 13.38 ? 311 ASP A CA 1 ATOM 1794 C C . ASP A 1 230 ? -29.769 27.985 28.287 1.00 11.69 ? 311 ASP A C 1 ATOM 1795 O O . ASP A 1 230 ? -29.465 26.792 28.269 1.00 12.36 ? 311 ASP A O 1 ATOM 1796 C CB . ASP A 1 230 ? -29.859 28.876 25.959 1.00 14.51 ? 311 ASP A CB 1 ATOM 1797 C CG . ASP A 1 230 ? -29.562 30.060 25.058 1.00 19.81 ? 311 ASP A CG 1 ATOM 1798 O OD1 . ASP A 1 230 ? -28.890 31.013 25.505 1.00 23.38 ? 311 ASP A OD1 1 ATOM 1799 O OD2 . ASP A 1 230 ? -30.014 30.036 23.895 1.00 20.16 ? 311 ASP A OD2 1 ATOM 1800 N N . TYR A 1 231 ? -30.647 28.482 29.151 1.00 11.75 ? 312 TYR A N 1 ATOM 1801 C CA . TYR A 1 231 ? -31.125 27.652 30.249 1.00 12.38 ? 312 TYR A CA 1 ATOM 1802 C C . TYR A 1 231 ? -32.603 27.831 30.566 1.00 13.03 ? 312 TYR A C 1 ATOM 1803 O O . TYR A 1 231 ? -33.227 28.827 30.188 1.00 13.86 ? 312 TYR A O 1 ATOM 1804 C CB . TYR A 1 231 ? -30.293 27.924 31.512 1.00 11.38 ? 312 TYR A CB 1 ATOM 1805 C CG . TYR A 1 231 ? -30.471 29.327 32.038 1.00 11.09 ? 312 TYR A CG 1 ATOM 1806 C CD1 . TYR A 1 231 ? -31.491 29.627 32.929 1.00 11.44 ? 312 TYR A CD1 1 ATOM 1807 C CD2 . TYR A 1 231 ? -29.634 30.361 31.625 1.00 10.47 ? 312 TYR A CD2 1 ATOM 1808 C CE1 . TYR A 1 231 ? -31.678 30.911 33.401 1.00 12.01 ? 312 TYR A CE1 1 ATOM 1809 C CE2 . TYR A 1 231 ? -29.808 31.654 32.101 1.00 12.38 ? 312 TYR A CE2 1 ATOM 1810 C CZ . TYR A 1 231 ? -30.834 31.920 32.988 1.00 12.48 ? 312 TYR A CZ 1 ATOM 1811 O OH . TYR A 1 231 ? -31.024 33.198 33.461 1.00 13.60 ? 312 TYR A OH 1 ATOM 1812 N N . GLU A 1 232 ? -33.152 26.836 31.253 1.00 11.86 ? 313 GLU A N 1 ATOM 1813 C CA . GLU A 1 232 ? -34.445 26.946 31.913 1.00 13.89 ? 313 GLU A CA 1 ATOM 1814 C C . GLU A 1 232 ? -34.179 26.657 33.378 1.00 12.64 ? 313 GLU A C 1 ATOM 1815 O O . GLU A 1 232 ? -33.417 25.743 33.700 1.00 12.57 ? 313 GLU A O 1 ATOM 1816 C CB . GLU A 1 232 ? -35.425 25.897 31.393 1.00 18.28 ? 313 GLU A CB 1 ATOM 1817 C CG . GLU A 1 232 ? -35.725 25.950 29.912 1.00 25.16 ? 313 GLU A CG 1 ATOM 1818 C CD . GLU A 1 232 ? -36.512 24.732 29.456 1.00 31.17 ? 313 GLU A CD 1 ATOM 1819 O OE1 . GLU A 1 232 ? -37.747 24.713 29.652 1.00 33.80 ? 313 GLU A OE1 1 ATOM 1820 O OE2 . GLU A 1 232 ? -35.896 23.787 28.915 1.00 33.00 ? 313 GLU A OE2 1 ATOM 1821 N N . VAL A 1 233 ? -34.800 27.419 34.270 1.00 11.17 ? 314 VAL A N 1 ATOM 1822 C CA . VAL A 1 233 ? -34.602 27.188 35.694 1.00 10.67 ? 314 VAL A CA 1 ATOM 1823 C C . VAL A 1 233 ? -35.942 27.235 36.418 1.00 11.00 ? 314 VAL A C 1 ATOM 1824 O O . VAL A 1 233 ? -36.832 27.997 36.045 1.00 12.65 ? 314 VAL A O 1 ATOM 1825 C CB . VAL A 1 233 ? -33.570 28.182 36.303 1.00 10.23 ? 314 VAL A CB 1 ATOM 1826 C CG1 . VAL A 1 233 ? -34.121 29.603 36.326 1.00 11.49 ? 314 VAL A CG1 1 ATOM 1827 C CG2 . VAL A 1 233 ? -33.146 27.740 37.698 1.00 11.21 ? 314 VAL A CG2 1 ATOM 1828 N N . GLY A 1 234 ? -36.092 26.385 37.425 1.00 10.57 ? 315 GLY A N 1 ATOM 1829 C CA . GLY A 1 234 ? -37.332 26.276 38.173 1.00 10.63 ? 315 GLY A CA 1 ATOM 1830 C C . GLY A 1 234 ? -37.161 25.256 39.280 1.00 11.51 ? 315 GLY A C 1 ATOM 1831 O O . GLY A 1 234 ? -36.053 25.059 39.774 1.00 11.53 ? 315 GLY A O 1 ATOM 1832 N N . TYR A 1 235 ? -38.258 24.614 39.671 1.00 10.98 ? 316 TYR A N 1 ATOM 1833 C CA . TYR A 1 235 ? -38.222 23.571 40.690 1.00 9.92 ? 316 TYR A CA 1 ATOM 1834 C C . TYR A 1 235 ? -38.807 22.266 40.169 1.00 10.85 ? 316 TYR A C 1 ATOM 1835 O O . TYR A 1 235 ? -39.604 22.257 39.229 1.00 12.05 ? 316 TYR A O 1 ATOM 1836 C CB . TYR A 1 235 ? -38.962 24.027 41.954 1.00 10.57 ? 316 TYR A CB 1 ATOM 1837 C CG . TYR A 1 235 ? -38.165 25.036 42.739 1.00 11.06 ? 316 TYR A CG 1 ATOM 1838 C CD1 . TYR A 1 235 ? -38.190 26.383 42.400 1.00 12.09 ? 316 TYR A CD1 1 ATOM 1839 C CD2 . TYR A 1 235 ? -37.357 24.638 43.798 1.00 10.27 ? 316 TYR A CD2 1 ATOM 1840 C CE1 . TYR A 1 235 ? -37.443 27.307 43.099 1.00 12.17 ? 316 TYR A CE1 1 ATOM 1841 C CE2 . TYR A 1 235 ? -36.606 25.560 44.509 1.00 10.93 ? 316 TYR A CE2 1 ATOM 1842 C CZ . TYR A 1 235 ? -36.652 26.894 44.149 1.00 12.29 ? 316 TYR A CZ 1 ATOM 1843 O OH . TYR A 1 235 ? -35.903 27.825 44.834 1.00 13.70 ? 316 TYR A OH 1 ATOM 1844 N N . LEU A 1 236 ? -38.391 21.158 40.771 1.00 10.48 ? 317 LEU A N 1 ATOM 1845 C CA . LEU A 1 236 ? -38.971 19.864 40.437 1.00 11.99 ? 317 LEU A CA 1 ATOM 1846 C C . LEU A 1 236 ? -40.467 19.943 40.718 1.00 12.80 ? 317 LEU A C 1 ATOM 1847 O O . LEU A 1 236 ? -40.873 20.189 41.853 1.00 13.98 ? 317 LEU A O 1 ATOM 1848 C CB . LEU A 1 236 ? -38.324 18.757 41.270 1.00 13.10 ? 317 LEU A CB 1 ATOM 1849 C CG . LEU A 1 236 ? -38.788 17.334 40.952 1.00 13.95 ? 317 LEU A CG 1 ATOM 1850 C CD1 . LEU A 1 236 ? -38.530 17.006 39.490 1.00 14.63 ? 317 LEU A CD1 1 ATOM 1851 C CD2 . LEU A 1 236 ? -38.102 16.331 41.856 1.00 15.20 ? 317 LEU A CD2 1 ATOM 1852 N N . CYS A 1 237 ? -41.279 19.753 39.679 1.00 13.74 ? 318 CYS A N 1 ATOM 1853 C CA . CYS A 1 237 ? -42.725 19.968 39.762 1.00 15.05 ? 318 CYS A CA 1 ATOM 1854 C C . CYS A 1 237 ? -43.427 19.101 40.804 1.00 14.85 ? 318 CYS A C 1 ATOM 1855 O O . CYS A 1 237 ? -44.393 19.536 41.438 1.00 15.31 ? 318 CYS A O 1 ATOM 1856 C CB . CYS A 1 237 ? -43.373 19.721 38.398 1.00 18.69 ? 318 CYS A CB 1 ATOM 1857 S SG . CYS A 1 237 ? -42.951 20.937 37.129 1.00 24.65 ? 318 CYS A SG 1 ATOM 1858 N N . ALA A 1 238 ? -42.938 17.877 40.967 1.00 13.59 ? 319 ALA A N 1 ATOM 1859 C CA . ALA A 1 238 ? -43.624 16.863 41.769 1.00 13.65 ? 319 ALA A CA 1 ATOM 1860 C C . ALA A 1 238 ? -44.156 17.388 43.100 1.00 14.84 ? 319 ALA A C 1 ATOM 1861 O O . ALA A 1 238 ? -43.489 18.165 43.788 1.00 15.02 ? 319 ALA A O 1 ATOM 1862 C CB . ALA A 1 238 ? -42.707 15.663 42.001 1.00 14.11 ? 319 ALA A CB 1 ATOM 1863 N N . GLY A 1 239 ? -45.362 16.950 43.453 1.00 13.45 ? 320 GLY A N 1 ATOM 1864 C CA . GLY A 1 239 ? -45.955 17.266 44.740 1.00 14.13 ? 320 GLY A CA 1 ATOM 1865 C C . GLY A 1 239 ? -45.420 16.374 45.847 1.00 14.70 ? 320 GLY A C 1 ATOM 1866 O O . GLY A 1 239 ? -46.104 16.106 46.830 1.00 15.52 ? 320 GLY A O 1 ATOM 1867 N N . ILE A 1 240 ? -44.189 15.909 45.670 1.00 15.02 ? 321 ILE A N 1 ATOM 1868 C CA . ILE A 1 240 ? -43.477 15.153 46.687 1.00 14.35 ? 321 ILE A CA 1 ATOM 1869 C C . ILE A 1 240 ? -42.163 15.889 46.932 1.00 12.98 ? 321 ILE A C 1 ATOM 1870 O O . ILE A 1 240 ? -41.359 16.036 46.013 1.00 14.75 ? 321 ILE A O 1 ATOM 1871 C CB . ILE A 1 240 ? -43.161 13.719 46.206 1.00 15.99 ? 321 ILE A CB 1 ATOM 1872 C CG1 . ILE A 1 240 ? -44.443 12.977 45.823 1.00 16.31 ? 321 ILE A CG1 1 ATOM 1873 C CG2 . ILE A 1 240 ? -42.385 12.949 47.271 1.00 16.87 ? 321 ILE A CG2 1 ATOM 1874 C CD1 . ILE A 1 240 ? -45.379 12.723 46.987 1.00 15.64 ? 321 ILE A CD1 1 ATOM 1875 N N . PRO A 1 241 ? -41.945 16.376 48.164 1.00 12.19 ? 322 PRO A N 1 ATOM 1876 C CA . PRO A 1 241 ? -40.708 17.123 48.430 1.00 10.99 ? 322 PRO A CA 1 ATOM 1877 C C . PRO A 1 241 ? -39.541 16.168 48.638 1.00 10.31 ? 322 PRO A C 1 ATOM 1878 O O . PRO A 1 241 ? -39.736 15.111 49.239 1.00 11.29 ? 322 PRO A O 1 ATOM 1879 C CB . PRO A 1 241 ? -41.026 17.872 49.723 1.00 11.13 ? 322 PRO A CB 1 ATOM 1880 C CG . PRO A 1 241 ? -42.035 17.003 50.426 1.00 11.28 ? 322 PRO A CG 1 ATOM 1881 C CD . PRO A 1 241 ? -42.804 16.256 49.356 1.00 11.87 ? 322 PRO A CD 1 ATOM 1882 N N . THR A 1 242 ? -38.354 16.517 48.147 1.00 9.20 ? 323 THR A N 1 ATOM 1883 C CA . THR A 1 242 ? -37.230 15.583 48.225 1.00 9.02 ? 323 THR A CA 1 ATOM 1884 C C . THR A 1 242 ? -35.949 16.139 48.859 1.00 9.49 ? 323 THR A C 1 ATOM 1885 O O . THR A 1 242 ? -34.930 15.455 48.883 1.00 11.14 ? 323 THR A O 1 ATOM 1886 C CB . THR A 1 242 ? -36.899 14.949 46.845 1.00 9.22 ? 323 THR A CB 1 ATOM 1887 O OG1 . THR A 1 242 ? -36.406 15.952 45.947 1.00 10.45 ? 323 THR A OG1 1 ATOM 1888 C CG2 . THR A 1 242 ? -38.140 14.281 46.237 1.00 11.09 ? 323 THR A CG2 1 ATOM 1889 N N . ASP A 1 243 ? -35.999 17.360 49.387 1.00 9.79 ? 324 ASP A N 1 ATOM 1890 C CA . ASP A 1 243 ? -34.875 17.896 50.154 1.00 9.16 ? 324 ASP A CA 1 ATOM 1891 C C . ASP A 1 243 ? -34.996 17.391 51.590 1.00 9.79 ? 324 ASP A C 1 ATOM 1892 O O . ASP A 1 243 ? -35.987 16.752 51.950 1.00 10.54 ? 324 ASP A O 1 ATOM 1893 C CB . ASP A 1 243 ? -34.891 19.428 50.128 1.00 9.14 ? 324 ASP A CB 1 ATOM 1894 C CG . ASP A 1 243 ? -33.537 20.055 50.466 1.00 10.17 ? 324 ASP A CG 1 ATOM 1895 O OD1 . ASP A 1 243 ? -32.535 19.336 50.671 1.00 10.21 ? 324 ASP A OD1 1 ATOM 1896 O OD2 . ASP A 1 243 ? -33.479 21.300 50.515 1.00 9.96 ? 324 ASP A OD2 1 ATOM 1897 N N . THR A 1 244 ? -33.980 17.669 52.398 1.00 8.88 ? 325 THR A N 1 ATOM 1898 C CA . THR A 1 244 ? -34.033 17.433 53.836 1.00 8.04 ? 325 THR A CA 1 ATOM 1899 C C . THR A 1 244 ? -33.341 18.619 54.484 1.00 8.65 ? 325 THR A C 1 ATOM 1900 O O . THR A 1 244 ? -32.197 18.913 54.150 1.00 9.81 ? 325 THR A O 1 ATOM 1901 C CB . THR A 1 244 ? -33.281 16.145 54.231 1.00 8.95 ? 325 THR A CB 1 ATOM 1902 O OG1 . THR A 1 244 ? -33.759 15.049 53.445 1.00 11.02 ? 325 THR A OG1 1 ATOM 1903 C CG2 . THR A 1 244 ? -33.481 15.832 55.712 1.00 9.79 ? 325 THR A CG2 1 ATOM 1904 N N . PRO A 1 245 ? -34.024 19.309 55.412 1.00 10.11 ? 326 PRO A N 1 ATOM 1905 C CA . PRO A 1 245 ? -35.342 18.968 55.967 1.00 10.54 ? 326 PRO A CA 1 ATOM 1906 C C . PRO A 1 245 ? -36.521 19.286 55.045 1.00 10.76 ? 326 PRO A C 1 ATOM 1907 O O . PRO A 1 245 ? -36.409 20.107 54.126 1.00 11.52 ? 326 PRO A O 1 ATOM 1908 C CB . PRO A 1 245 ? -35.418 19.842 57.224 1.00 11.87 ? 326 PRO A CB 1 ATOM 1909 C CG . PRO A 1 245 ? -34.594 21.035 56.885 1.00 12.59 ? 326 PRO A CG 1 ATOM 1910 C CD . PRO A 1 245 ? -33.459 20.519 56.037 1.00 12.18 ? 326 PRO A CD 1 ATOM 1911 N N . ARG A 1 246 ? -37.648 18.630 55.317 1.00 10.28 ? 327 ARG A N 1 ATOM 1912 C CA . ARG A 1 246 ? -38.889 18.836 54.585 1.00 9.95 ? 327 ARG A CA 1 ATOM 1913 C C . ARG A 1 246 ? -40.057 18.483 55.501 1.00 11.20 ? 327 ARG A C 1 ATOM 1914 O O . ARG A 1 246 ? -39.852 18.087 56.647 1.00 12.98 ? 327 ARG A O 1 ATOM 1915 C CB . ARG A 1 246 ? -38.927 17.958 53.332 1.00 8.93 ? 327 ARG A CB 1 ATOM 1916 C CG . ARG A 1 246 ? -38.859 16.459 53.627 1.00 8.93 ? 327 ARG A CG 1 ATOM 1917 C CD . ARG A 1 246 ? -38.888 15.614 52.348 1.00 10.14 ? 327 ARG A CD 1 ATOM 1918 N NE . ARG A 1 246 ? -39.026 14.196 52.666 1.00 10.71 ? 327 ARG A NE 1 ATOM 1919 C CZ . ARG A 1 246 ? -38.011 13.373 52.913 1.00 10.85 ? 327 ARG A CZ 1 ATOM 1920 N NH1 . ARG A 1 246 ? -36.755 13.811 52.851 1.00 10.72 ? 327 ARG A NH1 1 ATOM 1921 N NH2 . ARG A 1 246 ? -38.251 12.103 53.218 1.00 11.11 ? 327 ARG A NH2 1 ATOM 1922 N N . VAL A 1 247 ? -41.279 18.626 55.000 1.00 11.31 ? 328 VAL A N 1 ATOM 1923 C CA . VAL A 1 247 ? -42.451 18.180 55.745 1.00 12.71 ? 328 VAL A CA 1 ATOM 1924 C C . VAL A 1 247 ? -42.936 16.855 55.167 1.00 13.10 ? 328 VAL A C 1 ATOM 1925 O O . VAL A 1 247 ? -42.448 16.414 54.126 1.00 14.07 ? 328 VAL A O 1 ATOM 1926 C CB . VAL A 1 247 ? -43.596 19.213 55.703 1.00 14.54 ? 328 VAL A CB 1 ATOM 1927 C CG1 . VAL A 1 247 ? -43.130 20.543 56.281 1.00 14.32 ? 328 VAL A CG1 1 ATOM 1928 C CG2 . VAL A 1 247 ? -44.115 19.384 54.282 1.00 14.23 ? 328 VAL A CG2 1 ATOM 1929 N N . GLN A 1 248 ? -43.888 16.220 55.844 1.00 14.62 ? 329 GLN A N 1 ATOM 1930 C CA . GLN A 1 248 ? -44.502 15.002 55.330 1.00 16.69 ? 329 GLN A CA 1 ATOM 1931 C C . GLN A 1 248 ? -45.201 15.297 54.010 1.00 16.12 ? 329 GLN A C 1 ATOM 1932 O O . GLN A 1 248 ? -45.663 16.419 53.787 1.00 15.37 ? 329 GLN A O 1 ATOM 1933 C CB . GLN A 1 248 ? -45.506 14.438 56.337 1.00 20.08 ? 329 GLN A CB 1 ATOM 1934 C CG . GLN A 1 248 ? -44.889 14.002 57.661 1.00 26.08 ? 329 GLN A CG 1 ATOM 1935 C CD . GLN A 1 248 ? -44.082 12.717 57.544 1.00 30.57 ? 329 GLN A CD 1 ATOM 1936 O OE1 . GLN A 1 248 ? -44.062 12.071 56.495 1.00 32.31 ? 329 GLN A OE1 1 ATOM 1937 N NE2 . GLN A 1 248 ? -43.414 12.340 58.630 1.00 31.94 ? 329 GLN A NE2 1 ATOM 1938 N N . ASP A 1 249 ? -45.275 14.295 53.139 1.00 15.87 ? 330 ASP A N 1 ATOM 1939 C CA . ASP A 1 249 ? -45.838 14.486 51.806 1.00 15.89 ? 330 ASP A CA 1 ATOM 1940 C C . ASP A 1 249 ? -47.231 15.117 51.831 1.00 16.26 ? 330 ASP A C 1 ATOM 1941 O O . ASP A 1 249 ? -47.537 15.989 51.022 1.00 15.99 ? 330 ASP A O 1 ATOM 1942 C CB . ASP A 1 249 ? -45.874 13.161 51.038 1.00 15.52 ? 330 ASP A CB 1 ATOM 1943 C CG . ASP A 1 249 ? -44.489 12.622 50.743 1.00 16.78 ? 330 ASP A CG 1 ATOM 1944 O OD1 . ASP A 1 249 ? -43.513 13.387 50.894 1.00 16.63 ? 330 ASP A OD1 1 ATOM 1945 O OD2 . ASP A 1 249 ? -44.376 11.437 50.355 1.00 16.75 ? 330 ASP A OD2 1 ATOM 1946 N N . SER A 1 250 ? -48.075 14.681 52.760 1.00 16.85 ? 331 SER A N 1 ATOM 1947 C CA . SER A 1 250 ? -49.452 15.174 52.800 1.00 18.18 ? 331 SER A CA 1 ATOM 1948 C C . SER A 1 250 ? -49.564 16.653 53.185 1.00 17.94 ? 331 SER A C 1 ATOM 1949 O O . SER A 1 250 ? -50.614 17.265 52.994 1.00 20.69 ? 331 SER A O 1 ATOM 1950 C CB . SER A 1 250 ? -50.318 14.312 53.725 1.00 20.36 ? 331 SER A CB 1 ATOM 1951 O OG . SER A 1 250 ? -49.809 14.311 55.045 1.00 23.31 ? 331 SER A OG 1 ATOM 1952 N N . SER A 1 251 ? -48.487 17.222 53.724 1.00 16.79 ? 332 SER A N 1 ATOM 1953 C CA . SER A 1 251 ? -48.477 18.634 54.103 1.00 16.24 ? 332 SER A CA 1 ATOM 1954 C C . SER A 1 251 ? -47.858 19.520 53.025 1.00 16.39 ? 332 SER A C 1 ATOM 1955 O O . SER A 1 251 ? -47.687 20.727 53.220 1.00 18.50 ? 332 SER A O 1 ATOM 1956 C CB . SER A 1 251 ? -47.725 18.834 55.422 1.00 16.77 ? 332 SER A CB 1 ATOM 1957 O OG . SER A 1 251 ? -48.437 18.270 56.510 1.00 20.28 ? 332 SER A OG 1 ATOM 1958 N N . PHE A 1 252 ? -47.531 18.917 51.887 1.00 15.70 ? 333 PHE A N 1 ATOM 1959 C CA . PHE A 1 252 ? -46.781 19.597 50.839 1.00 15.41 ? 333 PHE A CA 1 ATOM 1960 C C . PHE A 1 252 ? -47.586 19.731 49.552 1.00 16.63 ? 333 PHE A C 1 ATOM 1961 O O . PHE A 1 252 ? -48.273 18.799 49.136 1.00 17.24 ? 333 PHE A O 1 ATOM 1962 C CB . PHE A 1 252 ? -45.482 18.830 50.559 1.00 15.14 ? 333 PHE A CB 1 ATOM 1963 C CG . PHE A 1 252 ? -44.625 19.436 49.475 1.00 15.14 ? 333 PHE A CG 1 ATOM 1964 C CD1 . PHE A 1 252 ? -43.744 20.468 49.763 1.00 15.83 ? 333 PHE A CD1 1 ATOM 1965 C CD2 . PHE A 1 252 ? -44.675 18.950 48.175 1.00 14.28 ? 333 PHE A CD2 1 ATOM 1966 C CE1 . PHE A 1 252 ? -42.940 21.014 48.774 1.00 15.23 ? 333 PHE A CE1 1 ATOM 1967 C CE2 . PHE A 1 252 ? -43.873 19.491 47.181 1.00 13.75 ? 333 PHE A CE2 1 ATOM 1968 C CZ . PHE A 1 252 ? -43.004 20.526 47.481 1.00 14.17 ? 333 PHE A CZ 1 ATOM 1969 N N . THR A 1 253 ? -47.494 20.903 48.933 1.00 16.14 ? 334 THR A N 1 ATOM 1970 C CA . THR A 1 253 ? -48.080 21.145 47.624 1.00 17.42 ? 334 THR A CA 1 ATOM 1971 C C . THR A 1 253 ? -46.961 21.584 46.690 1.00 17.92 ? 334 THR A C 1 ATOM 1972 O O . THR A 1 253 ? -46.213 22.523 46.992 1.00 18.20 ? 334 THR A O 1 ATOM 1973 C CB . THR A 1 253 ? -49.160 22.244 47.669 1.00 19.01 ? 334 THR A CB 1 ATOM 1974 O OG1 . THR A 1 253 ? -50.192 21.876 48.595 1.00 20.70 ? 334 THR A OG1 1 ATOM 1975 C CG2 . THR A 1 253 ? -49.775 22.439 46.289 1.00 20.83 ? 334 THR A CG2 1 ATOM 1976 N N . GLY A 1 254 ? -46.841 20.902 45.558 1.00 18.14 ? 335 GLY A N 1 ATOM 1977 C CA . GLY A 1 254 ? -45.735 21.143 44.652 1.00 17.32 ? 335 GLY A CA 1 ATOM 1978 C C . GLY A 1 254 ? -45.818 22.447 43.883 1.00 16.33 ? 335 GLY A C 1 ATOM 1979 O O . GLY A 1 254 ? -46.862 23.103 43.842 1.00 17.05 ? 335 GLY A O 1 ATOM 1980 N N . SER A 1 255 ? -44.697 22.824 43.276 1.00 15.75 ? 336 SER A N 1 ATOM 1981 C CA . SER A 1 255 ? -44.642 23.963 42.367 1.00 14.97 ? 336 SER A CA 1 ATOM 1982 C C . SER A 1 255 ? -43.506 23.778 41.370 1.00 15.44 ? 336 SER A C 1 ATOM 1983 O O . SER A 1 255 ? -42.409 23.372 41.747 1.00 13.73 ? 336 SER A O 1 ATOM 1984 C CB . SER A 1 255 ? -44.434 25.266 43.138 1.00 14.60 ? 336 SER A CB 1 ATOM 1985 O OG . SER A 1 255 ? -44.338 26.365 42.244 1.00 14.76 ? 336 SER A OG 1 ATOM 1986 N N . CYS A 1 256 ? -43.777 24.079 40.103 1.00 16.69 ? 337 CYS A N 1 ATOM 1987 C CA . CYS A 1 256 ? -42.755 24.059 39.058 1.00 18.46 ? 337 CYS A CA 1 ATOM 1988 C C . CYS A 1 256 ? -41.885 25.318 39.069 1.00 17.01 ? 337 CYS A C 1 ATOM 1989 O O . CYS A 1 256 ? -40.799 25.334 38.484 1.00 17.13 ? 337 CYS A O 1 ATOM 1990 C CB . CYS A 1 256 ? -43.410 23.935 37.672 1.00 22.94 ? 337 CYS A CB 1 ATOM 1991 S SG . CYS A 1 256 ? -44.345 22.410 37.374 1.00 28.11 ? 337 CYS A SG 1 ATOM 1992 N N . THR A 1 257 ? -42.362 26.374 39.727 1.00 16.11 ? 338 THR A N 1 ATOM 1993 C CA . THR A 1 257 ? -41.757 27.696 39.577 1.00 16.39 ? 338 THR A CA 1 ATOM 1994 C C . THR A 1 257 ? -41.232 28.313 40.871 1.00 17.50 ? 338 THR A C 1 ATOM 1995 O O . THR A 1 257 ? -40.304 29.129 40.847 1.00 17.82 ? 338 THR A O 1 ATOM 1996 C CB . THR A 1 257 ? -42.769 28.686 38.976 1.00 18.34 ? 338 THR A CB 1 ATOM 1997 O OG1 . THR A 1 257 ? -43.941 28.716 39.799 1.00 19.63 ? 338 THR A OG1 1 ATOM 1998 C CG2 . THR A 1 257 ? -43.164 28.261 37.567 1.00 19.09 ? 338 THR A CG2 1 ATOM 1999 N N . ASN A 1 258 ? -41.826 27.933 41.995 1.00 15.33 ? 339 ASN A N 1 ATOM 2000 C CA . ASN A 1 258 ? -41.550 28.606 43.257 1.00 16.98 ? 339 ASN A CA 1 ATOM 2001 C C . ASN A 1 258 ? -40.949 27.704 44.319 1.00 15.46 ? 339 ASN A C 1 ATOM 2002 O O . ASN A 1 258 ? -41.287 26.522 44.411 1.00 16.32 ? 339 ASN A O 1 ATOM 2003 C CB . ASN A 1 258 ? -42.833 29.234 43.805 1.00 21.60 ? 339 ASN A CB 1 ATOM 2004 C CG . ASN A 1 258 ? -43.382 30.315 42.898 1.00 29.08 ? 339 ASN A CG 1 ATOM 2005 O OD1 . ASN A 1 258 ? -42.872 31.430 42.870 1.00 33.76 ? 339 ASN A OD1 1 ATOM 2006 N ND2 . ASN A 1 258 ? -44.427 29.990 42.154 1.00 32.85 ? 339 ASN A ND2 1 ATOM 2007 N N . ALA A 1 259 ? -40.058 28.276 45.125 1.00 13.54 ? 340 ALA A N 1 ATOM 2008 C CA . ALA A 1 259 ? -39.550 27.588 46.304 1.00 13.51 ? 340 ALA A CA 1 ATOM 2009 C C . ALA A 1 259 ? -40.699 27.401 47.282 1.00 13.78 ? 340 ALA A C 1 ATOM 2010 O O . ALA A 1 259 ? -41.411 28.348 47.602 1.00 16.69 ? 340 ALA A O 1 ATOM 2011 C CB . ALA A 1 259 ? -38.426 28.388 46.953 1.00 14.05 ? 340 ALA A CB 1 ATOM 2012 N N . VAL A 1 260 ? -40.887 26.169 47.736 1.00 12.68 ? 341 VAL A N 1 ATOM 2013 C CA . VAL A 1 260 ? -41.918 25.857 48.711 1.00 12.84 ? 341 VAL A CA 1 ATOM 2014 C C . VAL A 1 260 ? -41.217 25.445 49.994 1.00 13.50 ? 341 VAL A C 1 ATOM 2015 O O . VAL A 1 260 ? -40.459 24.478 50.007 1.00 14.61 ? 341 VAL A O 1 ATOM 2016 C CB . VAL A 1 260 ? -42.829 24.720 48.215 1.00 13.48 ? 341 VAL A CB 1 ATOM 2017 C CG1 . VAL A 1 260 ? -43.841 24.331 49.289 1.00 13.66 ? 341 VAL A CG1 1 ATOM 2018 C CG2 . VAL A 1 260 ? -43.535 25.132 46.932 1.00 14.35 ? 341 VAL A CG2 1 ATOM 2019 N N . GLY A 1 261 ? -41.460 26.185 51.070 1.00 13.49 ? 342 GLY A N 1 ATOM 2020 C CA . GLY A 1 261 ? -40.726 25.963 52.304 1.00 13.24 ? 342 GLY A CA 1 ATOM 2021 C C . GLY A 1 261 ? -41.540 26.233 53.549 1.00 13.70 ? 342 GLY A C 1 ATOM 2022 O O . GLY A 1 261 ? -42.727 25.895 53.618 1.00 14.96 ? 342 GLY A O 1 ATOM 2023 N N . GLY A 1 262 ? -40.899 26.853 54.536 1.00 14.11 ? 343 GLY A N 1 ATOM 2024 C CA . GLY A 1 262 ? -41.532 27.114 55.814 1.00 14.82 ? 343 GLY A CA 1 ATOM 2025 C C . GLY A 1 262 ? -41.628 25.875 56.683 1.00 15.95 ? 343 GLY A C 1 ATOM 2026 O O . GLY A 1 262 ? -40.955 24.872 56.437 1.00 15.28 ? 343 GLY A O 1 ATOM 2027 N N . SER A 1 263 ? -42.468 25.949 57.710 1.00 17.22 ? 344 SER A N 1 ATOM 2028 C CA . SER A 1 263 ? -42.682 24.827 58.620 1.00 19.47 ? 344 SER A CA 1 ATOM 2029 C C . SER A 1 263 ? -41.377 24.232 59.157 1.00 18.36 ? 344 SER A C 1 ATOM 2030 O O . SER A 1 263 ? -41.265 23.016 59.336 1.00 19.94 ? 344 SER A O 1 ATOM 2031 C CB . SER A 1 263 ? -43.522 23.741 57.943 1.00 22.70 ? 344 SER A CB 1 ATOM 2032 O OG . SER A 1 263 ? -44.760 24.266 57.490 1.00 24.97 ? 344 SER A OG 1 ATOM 2033 N N . GLY A 1 264 ? -40.396 25.090 59.414 1.00 16.24 ? 345 GLY A N 1 ATOM 2034 C CA . GLY A 1 264 ? -39.145 24.665 60.020 1.00 15.60 ? 345 GLY A CA 1 ATOM 2035 C C . GLY A 1 264 ? -38.148 24.030 59.067 1.00 14.91 ? 345 GLY A C 1 ATOM 2036 O O . GLY A 1 264 ? -37.176 23.412 59.501 1.00 16.42 ? 345 GLY A O 1 ATOM 2037 N N . THR A 1 265 ? -38.379 24.185 57.767 1.00 12.81 ? 346 THR A N 1 ATOM 2038 C CA . THR A 1 265 ? -37.512 23.571 56.766 1.00 12.22 ? 346 THR A CA 1 ATOM 2039 C C . THR A 1 265 ? -36.554 24.562 56.103 1.00 11.91 ? 346 THR A C 1 ATOM 2040 O O . THR A 1 265 ? -35.667 24.152 55.357 1.00 12.23 ? 346 THR A O 1 ATOM 2041 C CB . THR A 1 265 ? -38.326 22.888 55.653 1.00 12.10 ? 346 THR A CB 1 ATOM 2042 O OG1 . THR A 1 265 ? -38.937 23.889 54.826 1.00 12.16 ? 346 THR A OG1 1 ATOM 2043 C CG2 . THR A 1 265 ? -39.401 21.980 56.247 1.00 12.47 ? 346 THR A CG2 1 ATOM 2044 N N . ASN A 1 266 A -36.732 25.857 56.358 1.00 12.73 ? 346 ASN A N 1 ATOM 2045 C CA . ASN A 1 266 A -35.902 26.868 55.699 1.00 10.12 ? 346 ASN A CA 1 ATOM 2046 C C . ASN A 1 266 A -34.444 26.839 56.164 1.00 10.71 ? 346 ASN A C 1 ATOM 2047 O O . ASN A 1 266 A -34.141 26.386 57.271 1.00 12.48 ? 346 ASN A O 1 ATOM 2048 C CB . ASN A 1 266 A -36.461 28.276 55.927 1.00 10.35 ? 346 ASN A CB 1 ATOM 2049 C CG . ASN A 1 266 A -37.784 28.519 55.215 1.00 13.44 ? 346 ASN A CG 1 ATOM 2050 O OD1 . ASN A 1 266 A -38.495 29.479 55.527 1.00 18.50 ? 346 ASN A OD1 1 ATOM 2051 N ND2 . ASN A 1 266 A -38.119 27.663 54.257 1.00 12.25 ? 346 ASN A ND2 1 ATOM 2052 N N . ASN A 1 267 B -33.552 27.319 55.302 1.00 9.93 ? 346 ASN A N 1 ATOM 2053 C CA . ASN A 1 267 B -32.154 27.576 55.661 1.00 8.90 ? 346 ASN A CA 1 ATOM 2054 C C . ASN A 1 267 B -31.265 26.345 55.822 1.00 9.59 ? 346 ASN A C 1 ATOM 2055 O O . ASN A 1 267 B -30.190 26.416 56.413 1.00 11.10 ? 346 ASN A O 1 ATOM 2056 C CB . ASN A 1 267 B -32.072 28.475 56.896 1.00 10.28 ? 346 ASN A CB 1 ATOM 2057 C CG . ASN A 1 267 B -32.722 29.816 56.665 1.00 13.63 ? 346 ASN A CG 1 ATOM 2058 O OD1 . ASN A 1 267 B -32.579 30.407 55.594 1.00 15.20 ? 346 ASN A OD1 1 ATOM 2059 N ND2 . ASN A 1 267 B -33.454 30.298 57.657 1.00 15.87 ? 346 ASN A ND2 1 ATOM 2060 N N . TYR A 1 268 ? -31.711 25.213 55.298 1.00 9.70 ? 347 TYR A N 1 ATOM 2061 C CA . TYR A 1 268 ? -30.833 24.053 55.224 1.00 8.32 ? 347 TYR A CA 1 ATOM 2062 C C . TYR A 1 268 ? -31.248 23.204 54.047 1.00 8.40 ? 347 TYR A C 1 ATOM 2063 O O . TYR A 1 268 ? -32.120 23.591 53.269 1.00 9.55 ? 347 TYR A O 1 ATOM 2064 C CB . TYR A 1 268 ? -30.847 23.239 56.527 1.00 9.49 ? 347 TYR A CB 1 ATOM 2065 C CG . TYR A 1 268 ? -29.584 22.432 56.773 1.00 11.74 ? 347 TYR A CG 1 ATOM 2066 C CD1 . TYR A 1 268 ? -28.325 23.011 56.631 1.00 13.28 ? 347 TYR A CD1 1 ATOM 2067 C CD2 . TYR A 1 268 ? -29.651 21.097 57.169 1.00 11.60 ? 347 TYR A CD2 1 ATOM 2068 C CE1 . TYR A 1 268 ? -27.164 22.280 56.866 1.00 12.90 ? 347 TYR A CE1 1 ATOM 2069 C CE2 . TYR A 1 268 ? -28.497 20.359 57.407 1.00 11.55 ? 347 TYR A CE2 1 ATOM 2070 C CZ . TYR A 1 268 ? -27.258 20.958 57.251 1.00 13.14 ? 347 TYR A CZ 1 ATOM 2071 O OH . TYR A 1 268 ? -26.113 20.238 57.491 1.00 14.09 ? 347 TYR A OH 1 ATOM 2072 N N . GLY A 1 269 ? -30.614 22.053 53.910 1.00 7.75 ? 348 GLY A N 1 ATOM 2073 C CA . GLY A 1 269 ? -30.856 21.189 52.774 1.00 7.24 ? 348 GLY A CA 1 ATOM 2074 C C . GLY A 1 269 ? -29.790 20.119 52.746 1.00 8.26 ? 348 GLY A C 1 ATOM 2075 O O . GLY A 1 269 ? -28.956 20.037 53.649 1.00 8.38 ? 348 GLY A O 1 ATOM 2076 N N . VAL A 1 270 ? -29.830 19.288 51.715 1.00 7.95 ? 349 VAL A N 1 ATOM 2077 C CA . VAL A 1 270 ? -28.820 18.264 51.522 1.00 8.37 ? 349 VAL A CA 1 ATOM 2078 C C . VAL A 1 270 ? -28.667 18.074 50.023 1.00 7.75 ? 349 VAL A C 1 ATOM 2079 O O . VAL A 1 270 ? -29.641 18.208 49.285 1.00 8.42 ? 349 VAL A O 1 ATOM 2080 C CB . VAL A 1 270 ? -29.197 16.927 52.229 1.00 7.28 ? 349 VAL A CB 1 ATOM 2081 C CG1 . VAL A 1 270 ? -30.402 16.254 51.556 1.00 7.56 ? 349 VAL A CG1 1 ATOM 2082 C CG2 . VAL A 1 270 ? -27.997 15.981 52.262 1.00 8.72 ? 349 VAL A CG2 1 ATOM 2083 N N . LYS A 1 271 ? -27.451 17.804 49.558 1.00 6.52 ? 350 LYS A N 1 ATOM 2084 C CA . LYS A 1 271 ? -27.272 17.490 48.145 1.00 7.22 ? 350 LYS A CA 1 ATOM 2085 C C . LYS A 1 271 ? -28.046 16.222 47.798 1.00 7.94 ? 350 LYS A C 1 ATOM 2086 O O . LYS A 1 271 ? -28.004 15.234 48.541 1.00 8.53 ? 350 LYS A O 1 ATOM 2087 C CB . LYS A 1 271 ? -25.796 17.305 47.796 1.00 6.51 ? 350 LYS A CB 1 ATOM 2088 C CG . LYS A 1 271 ? -25.554 16.932 46.327 1.00 6.62 ? 350 LYS A CG 1 ATOM 2089 C CD . LYS A 1 271 ? -24.082 16.671 46.069 1.00 7.59 ? 350 LYS A CD 1 ATOM 2090 C CE . LYS A 1 271 ? -23.825 16.160 44.657 1.00 7.26 ? 350 LYS A CE 1 ATOM 2091 N NZ . LYS A 1 271 ? -24.207 17.158 43.614 1.00 8.03 ? 350 LYS A NZ 1 ATOM 2092 N N . GLY A 1 272 ? -28.746 16.255 46.666 1.00 7.07 ? 351 GLY A N 1 ATOM 2093 C CA . GLY A 1 272 ? -29.521 15.116 46.210 1.00 7.12 ? 351 GLY A CA 1 ATOM 2094 C C . GLY A 1 272 ? -29.612 15.092 44.694 1.00 8.59 ? 351 GLY A C 1 ATOM 2095 O O . GLY A 1 272 ? -28.920 15.851 44.005 1.00 10.27 ? 351 GLY A O 1 ATOM 2096 N N . PHE A 1 273 ? -30.455 14.218 44.160 1.00 8.33 ? 352 PHE A N 1 ATOM 2097 C CA . PHE A 1 273 ? -30.507 14.041 42.716 1.00 8.91 ? 352 PHE A CA 1 ATOM 2098 C C . PHE A 1 273 ? -31.887 13.615 42.230 1.00 9.79 ? 352 PHE A C 1 ATOM 2099 O O . PHE A 1 273 ? -32.754 13.209 43.015 1.00 8.45 ? 352 PHE A O 1 ATOM 2100 C CB . PHE A 1 273 ? -29.498 12.975 42.281 1.00 8.97 ? 352 PHE A CB 1 ATOM 2101 C CG . PHE A 1 273 ? -29.943 11.577 42.590 1.00 9.10 ? 352 PHE A CG 1 ATOM 2102 C CD1 . PHE A 1 273 ? -29.695 11.018 43.834 1.00 9.89 ? 352 PHE A CD1 1 ATOM 2103 C CD2 . PHE A 1 273 ? -30.646 10.834 41.649 1.00 10.10 ? 352 PHE A CD2 1 ATOM 2104 C CE1 . PHE A 1 273 ? -30.128 9.739 44.136 1.00 10.13 ? 352 PHE A CE1 1 ATOM 2105 C CE2 . PHE A 1 273 ? -31.080 9.549 41.939 1.00 11.13 ? 352 PHE A CE2 1 ATOM 2106 C CZ . PHE A 1 273 ? -30.821 8.999 43.186 1.00 10.98 ? 352 PHE A CZ 1 ATOM 2107 N N . GLY A 1 274 ? -32.065 13.696 40.917 1.00 9.58 ? 353 GLY A N 1 ATOM 2108 C CA . GLY A 1 274 ? -33.219 13.125 40.253 1.00 9.18 ? 353 GLY A CA 1 ATOM 2109 C C . GLY A 1 274 ? -32.869 12.849 38.806 1.00 9.93 ? 353 GLY A C 1 ATOM 2110 O O . GLY A 1 274 ? -31.915 13.425 38.274 1.00 10.61 ? 353 GLY A O 1 ATOM 2111 N N . PHE A 1 275 ? -33.628 11.957 38.175 1.00 9.05 ? 354 PHE A N 1 ATOM 2112 C CA . PHE A 1 275 ? -33.452 11.653 36.757 1.00 9.83 ? 354 PHE A CA 1 ATOM 2113 C C . PHE A 1 275 ? -34.781 11.787 36.038 1.00 10.76 ? 354 PHE A C 1 ATOM 2114 O O . PHE A 1 275 ? -35.743 11.097 36.379 1.00 10.97 ? 354 PHE A O 1 ATOM 2115 C CB . PHE A 1 275 ? -32.958 10.216 36.564 1.00 9.70 ? 354 PHE A CB 1 ATOM 2116 C CG . PHE A 1 275 ? -31.517 10.007 36.919 1.00 9.81 ? 354 PHE A CG 1 ATOM 2117 C CD1 . PHE A 1 275 ? -30.511 10.513 36.110 1.00 10.38 ? 354 PHE A CD1 1 ATOM 2118 C CD2 . PHE A 1 275 ? -31.165 9.267 38.039 1.00 9.87 ? 354 PHE A CD2 1 ATOM 2119 C CE1 . PHE A 1 275 ? -29.173 10.304 36.424 1.00 12.54 ? 354 PHE A CE1 1 ATOM 2120 C CE2 . PHE A 1 275 ? -29.831 9.058 38.361 1.00 12.06 ? 354 PHE A CE2 1 ATOM 2121 C CZ . PHE A 1 275 ? -28.835 9.576 37.551 1.00 11.89 ? 354 PHE A CZ 1 ATOM 2122 N N . ARG A 1 276 ? -34.837 12.662 35.039 1.00 10.06 ? 355 ARG A N 1 ATOM 2123 C CA . ARG A 1 276 ? -36.010 12.727 34.178 1.00 9.59 ? 355 ARG A CA 1 ATOM 2124 C C . ARG A 1 276 ? -36.202 11.389 33.472 1.00 10.59 ? 355 ARG A C 1 ATOM 2125 O O . ARG A 1 276 ? -35.239 10.763 33.028 1.00 11.42 ? 355 ARG A O 1 ATOM 2126 C CB . ARG A 1 276 ? -35.877 13.843 33.141 1.00 9.78 ? 355 ARG A CB 1 ATOM 2127 C CG . ARG A 1 276 ? -37.118 14.023 32.283 1.00 10.18 ? 355 ARG A CG 1 ATOM 2128 C CD . ARG A 1 276 ? -37.045 15.286 31.439 1.00 11.80 ? 355 ARG A CD 1 ATOM 2129 N NE . ARG A 1 276 ? -36.136 15.176 30.301 1.00 12.74 ? 355 ARG A NE 1 ATOM 2130 C CZ . ARG A 1 276 ? -36.471 14.642 29.131 1.00 13.45 ? 355 ARG A CZ 1 ATOM 2131 N NH1 . ARG A 1 276 ? -37.686 14.143 28.957 1.00 14.47 ? 355 ARG A NH1 1 ATOM 2132 N NH2 . ARG A 1 276 ? -35.590 14.596 28.139 1.00 14.12 ? 355 ARG A NH2 1 ATOM 2133 N N . GLN A 1 277 ? -37.453 10.963 33.379 1.00 11.19 ? 356 GLN A N 1 ATOM 2134 C CA . GLN A 1 277 ? -37.824 9.763 32.639 1.00 11.43 ? 356 GLN A CA 1 ATOM 2135 C C . GLN A 1 277 ? -39.019 10.123 31.772 1.00 12.91 ? 356 GLN A C 1 ATOM 2136 O O . GLN A 1 277 ? -40.161 9.872 32.150 1.00 14.50 ? 356 GLN A O 1 ATOM 2137 C CB . GLN A 1 277 ? -38.208 8.640 33.605 1.00 10.94 ? 356 GLN A CB 1 ATOM 2138 C CG . GLN A 1 277 ? -37.093 8.208 34.559 1.00 11.35 ? 356 GLN A CG 1 ATOM 2139 C CD . GLN A 1 277 ? -36.094 7.260 33.917 1.00 12.32 ? 356 GLN A CD 1 ATOM 2140 O OE1 . GLN A 1 277 ? -36.239 6.038 34.000 1.00 12.71 ? 356 GLN A OE1 1 ATOM 2141 N NE2 . GLN A 1 277 ? -35.067 7.818 33.283 1.00 12.55 ? 356 GLN A NE2 1 ATOM 2142 N N . GLY A 1 278 ? -38.762 10.724 30.615 1.00 12.80 ? 357 GLY A N 1 ATOM 2143 C CA . GLY A 1 278 ? -39.838 11.285 29.819 1.00 13.41 ? 357 GLY A CA 1 ATOM 2144 C C . GLY A 1 278 ? -40.477 12.434 30.578 1.00 14.10 ? 357 GLY A C 1 ATOM 2145 O O . GLY A 1 278 ? -39.850 13.466 30.790 1.00 14.02 ? 357 GLY A O 1 ATOM 2146 N N . ASN A 1 279 ? -41.724 12.250 31.003 1.00 14.24 ? 358 ASN A N 1 ATOM 2147 C CA . ASN A 1 279 ? -42.416 13.245 31.821 1.00 13.76 ? 358 ASN A CA 1 ATOM 2148 C C . ASN A 1 279 ? -42.341 12.926 33.312 1.00 12.67 ? 358 ASN A C 1 ATOM 2149 O O . ASN A 1 279 ? -42.696 13.752 34.151 1.00 13.70 ? 358 ASN A O 1 ATOM 2150 C CB . ASN A 1 279 ? -43.881 13.357 31.400 1.00 13.95 ? 358 ASN A CB 1 ATOM 2151 C CG . ASN A 1 279 ? -44.044 13.989 30.038 1.00 17.30 ? 358 ASN A CG 1 ATOM 2152 O OD1 . ASN A 1 279 ? -43.224 14.810 29.624 1.00 18.96 ? 358 ASN A OD1 1 ATOM 2153 N ND2 . ASN A 1 279 ? -45.105 13.613 29.330 1.00 19.00 ? 358 ASN A ND2 1 ATOM 2154 N N . SER A 1 280 ? -41.892 11.717 33.631 1.00 11.72 ? 359 SER A N 1 ATOM 2155 C CA . SER A 1 280 ? -41.784 11.280 35.016 1.00 11.82 ? 359 SER A CA 1 ATOM 2156 C C . SER A 1 280 ? -40.390 11.558 35.560 1.00 11.47 ? 359 SER A C 1 ATOM 2157 O O . SER A 1 280 ? -39.542 12.113 34.862 1.00 12.04 ? 359 SER A O 1 ATOM 2158 C CB . SER A 1 280 ? -42.112 9.790 35.127 1.00 13.08 ? 359 SER A CB 1 ATOM 2159 O OG . SER A 1 280 ? -43.455 9.540 34.745 1.00 13.64 ? 359 SER A OG 1 ATOM 2160 N N . VAL A 1 281 ? -40.153 11.173 36.810 1.00 10.00 ? 360 VAL A N 1 ATOM 2161 C CA . VAL A 1 281 ? -38.856 11.411 37.437 1.00 9.59 ? 360 VAL A CA 1 ATOM 2162 C C . VAL A 1 281 ? -38.551 10.367 38.510 1.00 10.66 ? 360 VAL A C 1 ATOM 2163 O O . VAL A 1 281 ? -39.427 10.002 39.293 1.00 12.55 ? 360 VAL A O 1 ATOM 2164 C CB . VAL A 1 281 ? -38.793 12.825 38.071 1.00 10.87 ? 360 VAL A CB 1 ATOM 2165 C CG1 . VAL A 1 281 ? -39.869 12.983 39.140 1.00 11.93 ? 360 VAL A CG1 1 ATOM 2166 C CG2 . VAL A 1 281 ? -37.407 13.108 38.654 1.00 11.79 ? 360 VAL A CG2 1 ATOM 2167 N N . TRP A 1 282 ? -37.315 9.870 38.516 1.00 10.09 ? 361 TRP A N 1 ATOM 2168 C CA . TRP A 1 282 ? -36.790 9.131 39.658 1.00 11.09 ? 361 TRP A CA 1 ATOM 2169 C C . TRP A 1 282 ? -36.132 10.160 40.556 1.00 10.82 ? 361 TRP A C 1 ATOM 2170 O O . TRP A 1 282 ? -35.252 10.892 40.104 1.00 12.94 ? 361 TRP A O 1 ATOM 2171 C CB . TRP A 1 282 ? -35.707 8.142 39.223 1.00 11.84 ? 361 TRP A CB 1 ATOM 2172 C CG . TRP A 1 282 ? -36.187 6.807 38.713 1.00 11.90 ? 361 TRP A CG 1 ATOM 2173 C CD1 . TRP A 1 282 ? -36.206 6.388 37.414 1.00 12.58 ? 361 TRP A CD1 1 ATOM 2174 C CD2 . TRP A 1 282 ? -36.665 5.708 39.497 1.00 11.83 ? 361 TRP A CD2 1 ATOM 2175 N NE1 . TRP A 1 282 ? -36.679 5.101 37.339 1.00 13.42 ? 361 TRP A NE1 1 ATOM 2176 C CE2 . TRP A 1 282 ? -36.973 4.662 38.605 1.00 12.75 ? 361 TRP A CE2 1 ATOM 2177 C CE3 . TRP A 1 282 ? -36.874 5.510 40.866 1.00 11.81 ? 361 TRP A CE3 1 ATOM 2178 C CZ2 . TRP A 1 282 ? -37.474 3.435 39.037 1.00 13.30 ? 361 TRP A CZ2 1 ATOM 2179 C CZ3 . TRP A 1 282 ? -37.377 4.292 41.294 1.00 13.35 ? 361 TRP A CZ3 1 ATOM 2180 C CH2 . TRP A 1 282 ? -37.667 3.271 40.382 1.00 13.96 ? 361 TRP A CH2 1 ATOM 2181 N N . ALA A 1 283 ? -36.530 10.218 41.823 1.00 8.64 ? 362 ALA A N 1 ATOM 2182 C CA . ALA A 1 283 ? -35.910 11.167 42.739 1.00 9.52 ? 362 ALA A CA 1 ATOM 2183 C C . ALA A 1 283 ? -35.512 10.484 44.039 1.00 10.84 ? 362 ALA A C 1 ATOM 2184 O O . ALA A 1 283 ? -36.278 9.700 44.595 1.00 12.19 ? 362 ALA A O 1 ATOM 2185 C CB . ALA A 1 283 ? -36.851 12.333 43.014 1.00 11.65 ? 362 ALA A CB 1 ATOM 2186 N N . GLY A 1 284 ? -34.310 10.790 44.520 1.00 10.60 ? 363 GLY A N 1 ATOM 2187 C CA . GLY A 1 284 ? -33.841 10.246 45.779 1.00 8.68 ? 363 GLY A CA 1 ATOM 2188 C C . GLY A 1 284 ? -34.219 11.136 46.947 1.00 9.77 ? 363 GLY A C 1 ATOM 2189 O O . GLY A 1 284 ? -34.431 12.335 46.778 1.00 11.39 ? 363 GLY A O 1 ATOM 2190 N N . ARG A 1 285 ? -34.314 10.551 48.137 1.00 9.05 ? 364 ARG A N 1 ATOM 2191 C CA . ARG A 1 285 ? -34.450 11.344 49.353 1.00 8.25 ? 364 ARG A CA 1 ATOM 2192 C C . ARG A 1 285 ? -34.102 10.524 50.587 1.00 9.34 ? 364 ARG A C 1 ATOM 2193 O O . ARG A 1 285 ? -34.160 9.292 50.562 1.00 10.10 ? 364 ARG A O 1 ATOM 2194 C CB . ARG A 1 285 ? -35.854 11.949 49.477 1.00 9.60 ? 364 ARG A CB 1 ATOM 2195 C CG . ARG A 1 285 ? -36.981 10.947 49.699 1.00 9.70 ? 364 ARG A CG 1 ATOM 2196 C CD . ARG A 1 285 ? -38.321 11.675 49.730 1.00 10.47 ? 364 ARG A CD 1 ATOM 2197 N NE . ARG A 1 285 ? -39.438 10.794 50.053 1.00 10.17 ? 364 ARG A NE 1 ATOM 2198 C CZ . ARG A 1 285 ? -40.687 11.220 50.231 1.00 11.74 ? 364 ARG A CZ 1 ATOM 2199 N NH1 . ARG A 1 285 ? -40.968 12.515 50.118 1.00 12.17 ? 364 ARG A NH1 1 ATOM 2200 N NH2 . ARG A 1 285 ? -41.651 10.360 50.522 1.00 13.33 ? 364 ARG A NH2 1 ATOM 2201 N N . THR A 1 286 ? -33.714 11.208 51.659 1.00 8.55 ? 365 THR A N 1 ATOM 2202 C CA . THR A 1 286 ? -33.536 10.543 52.942 1.00 9.96 ? 365 THR A CA 1 ATOM 2203 C C . THR A 1 286 ? -34.899 10.024 53.385 1.00 10.36 ? 365 THR A C 1 ATOM 2204 O O . THR A 1 286 ? -35.930 10.574 52.998 1.00 11.14 ? 365 THR A O 1 ATOM 2205 C CB . THR A 1 286 ? -32.999 11.516 54.014 1.00 10.32 ? 365 THR A CB 1 ATOM 2206 O OG1 . THR A 1 286 ? -33.967 12.546 54.255 1.00 10.41 ? 365 THR A OG1 1 ATOM 2207 C CG2 . THR A 1 286 ? -31.689 12.156 53.562 1.00 11.42 ? 365 THR A CG2 1 ATOM 2208 N N . VAL A 1 287 ? -34.923 8.964 54.184 1.00 10.77 ? 366 VAL A N 1 ATOM 2209 C CA . VAL A 1 287 ? -36.198 8.463 54.692 1.00 10.81 ? 366 VAL A CA 1 ATOM 2210 C C . VAL A 1 287 ? -36.772 9.430 55.725 1.00 11.83 ? 366 VAL A C 1 ATOM 2211 O O . VAL A 1 287 ? -37.963 9.755 55.695 1.00 13.00 ? 366 VAL A O 1 ATOM 2212 C CB . VAL A 1 287 ? -36.061 7.047 55.283 1.00 9.80 ? 366 VAL A CB 1 ATOM 2213 C CG1 . VAL A 1 287 ? -37.348 6.644 56.009 1.00 10.71 ? 366 VAL A CG1 1 ATOM 2214 C CG2 . VAL A 1 287 ? -35.717 6.051 54.174 1.00 10.40 ? 366 VAL A CG2 1 ATOM 2215 N N . SER A 1 288 ? -35.918 9.896 56.631 1.00 12.57 ? 367 SER A N 1 ATOM 2216 C CA . SER A 1 288 ? -36.311 10.907 57.605 1.00 11.45 ? 367 SER A CA 1 ATOM 2217 C C . SER A 1 288 ? -36.593 12.245 56.930 1.00 11.95 ? 367 SER A C 1 ATOM 2218 O O . SER A 1 288 ? -35.892 12.641 55.998 1.00 12.41 ? 367 SER A O 1 ATOM 2219 C CB . SER A 1 288 ? -35.216 11.095 58.658 1.00 11.37 ? 367 SER A CB 1 ATOM 2220 O OG . SER A 1 288 ? -35.545 12.154 59.544 1.00 11.44 ? 367 SER A OG 1 ATOM 2221 N N . ILE A 1 289 ? -37.610 12.950 57.413 1.00 12.14 ? 368 ILE A N 1 ATOM 2222 C CA . ILE A 1 289 ? -37.918 14.271 56.878 1.00 12.57 ? 368 ILE A CA 1 ATOM 2223 C C . ILE A 1 289 ? -37.067 15.350 57.540 1.00 13.50 ? 368 ILE A C 1 ATOM 2224 O O . ILE A 1 289 ? -36.999 16.474 57.052 1.00 13.40 ? 368 ILE A O 1 ATOM 2225 C CB . ILE A 1 289 ? -39.414 14.643 57.038 1.00 12.98 ? 368 ILE A CB 1 ATOM 2226 C CG1 . ILE A 1 289 ? -39.790 14.761 58.519 1.00 13.77 ? 368 ILE A CG1 1 ATOM 2227 C CG2 . ILE A 1 289 ? -40.307 13.627 56.316 1.00 13.65 ? 368 ILE A CG2 1 ATOM 2228 C CD1 . ILE A 1 289 ? -41.196 15.305 58.757 1.00 15.64 ? 368 ILE A CD1 1 ATOM 2229 N N . SER A 1 290 ? -36.411 15.007 58.645 1.00 13.96 ? 369 SER A N 1 ATOM 2230 C CA . SER A 1 290 ? -35.705 16.011 59.433 1.00 15.36 ? 369 SER A CA 1 ATOM 2231 C C . SER A 1 290 ? -34.195 15.804 59.507 1.00 17.06 ? 369 SER A C 1 ATOM 2232 O O . SER A 1 290 ? -33.450 16.760 59.702 1.00 20.86 ? 369 SER A O 1 ATOM 2233 C CB . SER A 1 290 ? -36.292 16.086 60.846 1.00 17.30 ? 369 SER A CB 1 ATOM 2234 O OG . SER A 1 290 ? -36.290 14.813 61.465 1.00 20.26 ? 369 SER A OG 1 ATOM 2235 N N . SER A 1 291 ? -33.747 14.562 59.366 1.00 15.20 ? 370 SER A N 1 ATOM 2236 C CA . SER A 1 291 ? -32.328 14.256 59.522 1.00 13.62 ? 370 SER A CA 1 ATOM 2237 C C . SER A 1 291 ? -31.783 13.470 58.340 1.00 11.63 ? 370 SER A C 1 ATOM 2238 O O . SER A 1 291 ? -32.540 12.916 57.539 1.00 10.42 ? 370 SER A O 1 ATOM 2239 C CB . SER A 1 291 ? -32.093 13.459 60.803 1.00 17.76 ? 370 SER A CB 1 ATOM 2240 O OG . SER A 1 291 ? -32.676 12.177 60.694 1.00 21.67 ? 370 SER A OG 1 ATOM 2241 N N . ARG A 1 292 ? -30.460 13.410 58.246 1.00 10.59 ? 371 ARG A N 1 ATOM 2242 C CA . ARG A 1 292 ? -29.822 12.669 57.168 1.00 8.57 ? 371 ARG A CA 1 ATOM 2243 C C . ARG A 1 292 ? -29.712 11.196 57.547 1.00 9.70 ? 371 ARG A C 1 ATOM 2244 O O . ARG A 1 292 ? -28.623 10.688 57.834 1.00 10.04 ? 371 ARG A O 1 ATOM 2245 C CB . ARG A 1 292 ? -28.458 13.280 56.838 1.00 8.68 ? 371 ARG A CB 1 ATOM 2246 C CG . ARG A 1 292 ? -28.579 14.710 56.309 1.00 8.06 ? 371 ARG A CG 1 ATOM 2247 C CD . ARG A 1 292 ? -27.269 15.484 56.357 1.00 7.94 ? 371 ARG A CD 1 ATOM 2248 N NE . ARG A 1 292 ? -27.407 16.764 55.662 1.00 8.05 ? 371 ARG A NE 1 ATOM 2249 C CZ . ARG A 1 292 ? -26.390 17.551 55.326 1.00 7.87 ? 371 ARG A CZ 1 ATOM 2250 N NH1 . ARG A 1 292 ? -25.146 17.205 55.639 1.00 8.51 ? 371 ARG A NH1 1 ATOM 2251 N NH2 . ARG A 1 292 ? -26.621 18.690 54.678 1.00 7.58 ? 371 ARG A NH2 1 ATOM 2252 N N . SER A 1 293 ? -30.860 10.525 57.566 1.00 9.29 ? 372 SER A N 1 ATOM 2253 C CA . SER A 1 293 ? -30.915 9.095 57.851 1.00 10.56 ? 372 SER A CA 1 ATOM 2254 C C . SER A 1 293 ? -31.806 8.383 56.846 1.00 10.01 ? 372 SER A C 1 ATOM 2255 O O . SER A 1 293 ? -32.821 8.932 56.393 1.00 9.95 ? 372 SER A O 1 ATOM 2256 C CB . SER A 1 293 ? -31.409 8.837 59.281 1.00 15.23 ? 372 SER A CB 1 ATOM 2257 O OG . SER A 1 293 ? -32.666 9.438 59.500 1.00 19.97 ? 372 SER A OG 1 ATOM 2258 N N . GLY A 1 294 ? -31.421 7.158 56.499 1.00 9.71 ? 373 GLY A N 1 ATOM 2259 C CA . GLY A 1 294 ? -32.148 6.365 55.524 1.00 8.67 ? 373 GLY A CA 1 ATOM 2260 C C . GLY A 1 294 ? -31.978 6.896 54.114 1.00 9.05 ? 373 GLY A C 1 ATOM 2261 O O . GLY A 1 294 ? -31.541 8.030 53.908 1.00 8.70 ? 373 GLY A O 1 ATOM 2262 N N . PHE A 1 295 ? -32.312 6.074 53.129 1.00 9.04 ? 374 PHE A N 1 ATOM 2263 C CA . PHE A 1 295 ? -32.362 6.557 51.756 1.00 9.04 ? 374 PHE A CA 1 ATOM 2264 C C . PHE A 1 295 ? -33.285 5.715 50.888 1.00 10.39 ? 374 PHE A C 1 ATOM 2265 O O . PHE A 1 295 ? -33.252 4.488 50.929 1.00 9.99 ? 374 PHE A O 1 ATOM 2266 C CB . PHE A 1 295 ? -30.967 6.640 51.132 1.00 8.96 ? 374 PHE A CB 1 ATOM 2267 C CG . PHE A 1 295 ? -30.903 7.564 49.956 1.00 8.69 ? 374 PHE A CG 1 ATOM 2268 C CD1 . PHE A 1 295 ? -30.897 8.941 50.146 1.00 9.52 ? 374 PHE A CD1 1 ATOM 2269 C CD2 . PHE A 1 295 ? -30.882 7.067 48.664 1.00 9.18 ? 374 PHE A CD2 1 ATOM 2270 C CE1 . PHE A 1 295 ? -30.858 9.807 49.066 1.00 9.58 ? 374 PHE A CE1 1 ATOM 2271 C CE2 . PHE A 1 295 ? -30.834 7.925 47.580 1.00 9.47 ? 374 PHE A CE2 1 ATOM 2272 C CZ . PHE A 1 295 ? -30.823 9.298 47.779 1.00 9.28 ? 374 PHE A CZ 1 ATOM 2273 N N . GLU A 1 296 ? -34.107 6.396 50.099 1.00 10.25 ? 375 GLU A N 1 ATOM 2274 C CA . GLU A 1 296 ? -35.036 5.727 49.200 1.00 10.04 ? 375 GLU A CA 1 ATOM 2275 C C . GLU A 1 296 ? -35.062 6.467 47.872 1.00 10.37 ? 375 GLU A C 1 ATOM 2276 O O . GLU A 1 296 ? -34.692 7.640 47.796 1.00 10.91 ? 375 GLU A O 1 ATOM 2277 C CB . GLU A 1 296 ? -36.442 5.702 49.815 1.00 10.78 ? 375 GLU A CB 1 ATOM 2278 C CG . GLU A 1 296 ? -36.984 7.094 50.146 1.00 13.30 ? 375 GLU A CG 1 ATOM 2279 C CD . GLU A 1 296 ? -38.321 7.062 50.875 1.00 16.41 ? 375 GLU A CD 1 ATOM 2280 O OE1 . GLU A 1 296 ? -38.638 6.038 51.511 1.00 18.43 ? 375 GLU A OE1 1 ATOM 2281 O OE2 . GLU A 1 296 ? -39.053 8.072 50.825 1.00 18.54 ? 375 GLU A OE2 1 ATOM 2282 N N . ILE A 1 297 ? -35.492 5.782 46.819 1.00 9.36 ? 376 ILE A N 1 ATOM 2283 C CA . ILE A 1 297 ? -35.648 6.432 45.527 1.00 10.03 ? 376 ILE A CA 1 ATOM 2284 C C . ILE A 1 297 ? -37.066 6.189 45.034 1.00 11.58 ? 376 ILE A C 1 ATOM 2285 O O . ILE A 1 297 ? -37.603 5.088 45.174 1.00 13.18 ? 376 ILE A O 1 ATOM 2286 C CB . ILE A 1 297 ? -34.607 5.940 44.496 1.00 13.45 ? 376 ILE A CB 1 ATOM 2287 C CG1 . ILE A 1 297 ? -33.216 5.905 45.124 1.00 17.50 ? 376 ILE A CG1 1 ATOM 2288 C CG2 . ILE A 1 297 ? -34.592 6.848 43.273 1.00 15.40 ? 376 ILE A CG2 1 ATOM 2289 C CD1 . ILE A 1 297 ? -32.928 4.635 45.929 1.00 20.23 ? 376 ILE A CD1 1 ATOM 2290 N N . LEU A 1 298 ? -37.674 7.231 44.481 1.00 12.14 ? 377 LEU A N 1 ATOM 2291 C CA . LEU A 1 298 ? -39.083 7.199 44.115 1.00 11.76 ? 377 LEU A CA 1 ATOM 2292 C C . LEU A 1 298 ? -39.253 7.478 42.637 1.00 11.79 ? 377 LEU A C 1 ATOM 2293 O O . LEU A 1 298 ? -38.614 8.384 42.100 1.00 11.85 ? 377 LEU A O 1 ATOM 2294 C CB . LEU A 1 298 ? -39.865 8.252 44.909 1.00 13.60 ? 377 LEU A CB 1 ATOM 2295 C CG . LEU A 1 298 ? -40.145 8.040 46.399 1.00 17.51 ? 377 LEU A CG 1 ATOM 2296 C CD1 . LEU A 1 298 ? -38.873 7.989 47.207 1.00 21.09 ? 377 LEU A CD1 1 ATOM 2297 C CD2 . LEU A 1 298 ? -41.048 9.157 46.904 1.00 19.18 ? 377 LEU A CD2 1 ATOM 2298 N N . LEU A 1 299 ? -40.108 6.699 41.979 1.00 11.87 ? 378 LEU A N 1 ATOM 2299 C CA . LEU A 1 299 ? -40.516 7.019 40.617 1.00 11.23 ? 378 LEU A CA 1 ATOM 2300 C C . LEU A 1 299 ? -41.869 7.714 40.684 1.00 12.18 ? 378 LEU A C 1 ATOM 2301 O O . LEU A 1 299 ? -42.868 7.115 41.092 1.00 13.16 ? 378 LEU A O 1 ATOM 2302 C CB . LEU A 1 299 ? -40.595 5.760 39.753 1.00 10.97 ? 378 LEU A CB 1 ATOM 2303 C CG . LEU A 1 299 ? -40.975 5.999 38.285 1.00 12.22 ? 378 LEU A CG 1 ATOM 2304 C CD1 . LEU A 1 299 ? -40.023 6.986 37.618 1.00 12.34 ? 378 LEU A CD1 1 ATOM 2305 C CD2 . LEU A 1 299 ? -41.020 4.687 37.509 1.00 13.28 ? 378 LEU A CD2 1 ATOM 2306 N N . ILE A 1 300 ? -41.889 8.988 40.310 1.00 11.42 ? 379 ILE A N 1 ATOM 2307 C CA . ILE A 1 300 ? -43.097 9.798 40.409 1.00 11.58 ? 379 ILE A CA 1 ATOM 2308 C C . ILE A 1 300 ? -43.676 10.040 39.025 1.00 13.12 ? 379 ILE A C 1 ATOM 2309 O O . ILE A 1 300 ? -43.032 10.648 38.170 1.00 13.68 ? 379 ILE A O 1 ATOM 2310 C CB . ILE A 1 300 ? -42.809 11.145 41.103 1.00 12.25 ? 379 ILE A CB 1 ATOM 2311 C CG1 . ILE A 1 300 ? -42.060 10.909 42.419 1.00 13.81 ? 379 ILE A CG1 1 ATOM 2312 C CG2 . ILE A 1 300 ? -44.105 11.912 41.340 1.00 14.13 ? 379 ILE A CG2 1 ATOM 2313 C CD1 . ILE A 1 300 ? -41.401 12.152 42.993 1.00 14.37 ? 379 ILE A CD1 1 ATOM 2314 N N . GLU A 1 301 ? -44.895 9.553 38.813 1.00 14.17 ? 380 GLU A N 1 ATOM 2315 C CA . GLU A 1 301 ? -45.553 9.645 37.517 1.00 15.35 ? 380 GLU A CA 1 ATOM 2316 C C . GLU A 1 301 ? -45.782 11.100 37.138 1.00 15.54 ? 380 GLU A C 1 ATOM 2317 O O . GLU A 1 301 ? -46.434 11.839 37.871 1.00 16.99 ? 380 GLU A O 1 ATOM 2318 C CB . GLU A 1 301 ? -46.886 8.895 37.554 1.00 19.08 ? 380 GLU A CB 1 ATOM 2319 C CG . GLU A 1 301 ? -47.607 8.817 36.217 1.00 22.45 ? 380 GLU A CG 1 ATOM 2320 C CD . GLU A 1 301 ? -48.780 7.847 36.248 1.00 27.24 ? 380 GLU A CD 1 ATOM 2321 O OE1 . GLU A 1 301 ? -49.836 8.198 36.814 1.00 29.46 ? 380 GLU A OE1 1 ATOM 2322 O OE2 . GLU A 1 301 ? -48.642 6.729 35.709 1.00 29.75 ? 380 GLU A OE2 1 ATOM 2323 N N . ASP A 1 302 ? -45.242 11.500 35.992 1.00 16.01 ? 381 ASP A N 1 ATOM 2324 C CA . ASP A 1 302 ? -45.384 12.867 35.492 1.00 16.25 ? 381 ASP A CA 1 ATOM 2325 C C . ASP A 1 302 ? -44.772 13.913 36.426 1.00 14.76 ? 381 ASP A C 1 ATOM 2326 O O . ASP A 1 302 ? -45.082 15.101 36.327 1.00 15.22 ? 381 ASP A O 1 ATOM 2327 C CB . ASP A 1 302 ? -46.856 13.190 35.217 1.00 18.69 ? 381 ASP A CB 1 ATOM 2328 C CG . ASP A 1 302 ? -47.424 12.378 34.070 1.00 22.20 ? 381 ASP A CG 1 ATOM 2329 O OD1 . ASP A 1 302 ? -46.642 11.962 33.188 1.00 23.08 ? 381 ASP A OD1 1 ATOM 2330 O OD2 . ASP A 1 302 ? -48.652 12.155 34.044 1.00 24.86 ? 381 ASP A OD2 1 ATOM 2331 N N . GLY A 1 303 ? -43.881 13.476 37.312 1.00 12.65 ? 382 GLY A N 1 ATOM 2332 C CA . GLY A 1 303 ? -43.325 14.363 38.320 1.00 12.42 ? 382 GLY A CA 1 ATOM 2333 C C . GLY A 1 303 ? -42.368 15.427 37.808 1.00 11.79 ? 382 GLY A C 1 ATOM 2334 O O . GLY A 1 303 ? -42.013 16.348 38.540 1.00 12.65 ? 382 GLY A O 1 ATOM 2335 N N . TRP A 1 304 ? -41.935 15.306 36.558 1.00 12.11 ? 383 TRP A N 1 ATOM 2336 C CA . TRP A 1 304 ? -41.068 16.319 35.972 1.00 12.82 ? 383 TRP A CA 1 ATOM 2337 C C . TRP A 1 304 ? -41.889 17.489 35.422 1.00 15.03 ? 383 TRP A C 1 ATOM 2338 O O . TRP A 1 304 ? -41.387 18.604 35.322 1.00 17.63 ? 383 TRP A O 1 ATOM 2339 C CB . TRP A 1 304 ? -40.193 15.713 34.868 1.00 12.38 ? 383 TRP A CB 1 ATOM 2340 C CG . TRP A 1 304 ? -39.024 16.573 34.452 1.00 12.79 ? 383 TRP A CG 1 ATOM 2341 C CD1 . TRP A 1 304 ? -39.004 17.504 33.452 1.00 14.16 ? 383 TRP A CD1 1 ATOM 2342 C CD2 . TRP A 1 304 ? -37.704 16.559 35.012 1.00 13.03 ? 383 TRP A CD2 1 ATOM 2343 N NE1 . TRP A 1 304 ? -37.756 18.077 33.361 1.00 13.71 ? 383 TRP A NE1 1 ATOM 2344 C CE2 . TRP A 1 304 ? -36.940 17.514 34.309 1.00 13.65 ? 383 TRP A CE2 1 ATOM 2345 C CE3 . TRP A 1 304 ? -37.094 15.832 36.043 1.00 12.43 ? 383 TRP A CE3 1 ATOM 2346 C CZ2 . TRP A 1 304 ? -35.598 17.761 34.600 1.00 14.37 ? 383 TRP A CZ2 1 ATOM 2347 C CZ3 . TRP A 1 304 ? -35.758 16.082 36.335 1.00 13.36 ? 383 TRP A CZ3 1 ATOM 2348 C CH2 . TRP A 1 304 ? -35.026 17.035 35.614 1.00 14.07 ? 383 TRP A CH2 1 ATOM 2349 N N . ILE A 1 305 ? -43.155 17.244 35.088 1.00 14.37 ? 384 ILE A N 1 ATOM 2350 C CA . ILE A 1 305 ? -43.953 18.258 34.394 1.00 16.42 ? 384 ILE A CA 1 ATOM 2351 C C . ILE A 1 305 ? -45.174 18.770 35.150 1.00 17.57 ? 384 ILE A C 1 ATOM 2352 O O . ILE A 1 305 ? -45.781 19.770 34.751 1.00 18.84 ? 384 ILE A O 1 ATOM 2353 C CB . ILE A 1 305 ? -44.421 17.767 33.007 1.00 17.72 ? 384 ILE A CB 1 ATOM 2354 C CG1 . ILE A 1 305 ? -45.412 16.608 33.154 1.00 18.78 ? 384 ILE A CG1 1 ATOM 2355 C CG2 . ILE A 1 305 ? -43.226 17.385 32.154 1.00 17.53 ? 384 ILE A CG2 1 ATOM 2356 C CD1 . ILE A 1 305 ? -46.135 16.249 31.868 1.00 18.63 ? 384 ILE A CD1 1 ATOM 2357 N N . ARG A 1 306 ? -45.554 18.090 36.223 1.00 17.30 ? 385 ARG A N 1 ATOM 2358 C CA . ARG A 1 306 ? -46.677 18.568 37.026 1.00 18.63 ? 385 ARG A CA 1 ATOM 2359 C C . ARG A 1 306 ? -46.573 18.161 38.488 1.00 16.38 ? 385 ARG A C 1 ATOM 2360 O O . ARG A 1 306 ? -45.753 17.322 38.855 1.00 14.92 ? 385 ARG A O 1 ATOM 2361 C CB . ARG A 1 306 ? -48.012 18.119 36.438 1.00 22.35 ? 385 ARG A CB 1 ATOM 2362 C CG . ARG A 1 306 ? -48.253 16.638 36.507 1.00 23.98 ? 385 ARG A CG 1 ATOM 2363 C CD . ARG A 1 306 ? -49.636 16.296 35.984 1.00 26.41 ? 385 ARG A CD 1 ATOM 2364 N NE . ARG A 1 306 ? -49.773 14.858 35.798 1.00 27.41 ? 385 ARG A NE 1 ATOM 2365 C CZ . ARG A 1 306 ? -50.196 14.020 36.737 1.00 27.07 ? 385 ARG A CZ 1 ATOM 2366 N NH1 . ARG A 1 306 ? -50.541 14.481 37.935 1.00 25.34 ? 385 ARG A NH1 1 ATOM 2367 N NH2 . ARG A 1 306 ? -50.276 12.722 36.476 1.00 27.49 ? 385 ARG A NH2 1 ATOM 2368 N N . THR A 1 307 ? -47.420 18.768 39.311 1.00 15.57 ? 387 THR A N 1 ATOM 2369 C CA . THR A 1 307 ? -47.352 18.620 40.760 1.00 15.52 ? 387 THR A CA 1 ATOM 2370 C C . THR A 1 307 ? -47.904 17.282 41.247 1.00 15.69 ? 387 THR A C 1 ATOM 2371 O O . THR A 1 307 ? -48.636 17.220 42.234 1.00 16.16 ? 387 THR A O 1 ATOM 2372 C CB . THR A 1 307 ? -48.087 19.775 41.458 1.00 16.62 ? 387 THR A CB 1 ATOM 2373 O OG1 . THR A 1 307 ? -49.446 19.833 40.997 1.00 18.01 ? 387 THR A OG1 1 ATOM 2374 C CG2 . THR A 1 307 ? -47.403 21.090 41.140 1.00 18.28 ? 387 THR A CG2 1 ATOM 2375 N N . SER A 1 308 ? -47.514 16.217 40.555 1.00 15.70 ? 388 SER A N 1 ATOM 2376 C CA . SER A 1 308 ? -48.002 14.870 40.821 1.00 15.45 ? 388 SER A CA 1 ATOM 2377 C C . SER A 1 308 ? -47.600 14.328 42.191 1.00 16.12 ? 388 SER A C 1 ATOM 2378 O O . SER A 1 308 ? -46.497 14.578 42.680 1.00 17.35 ? 388 SER A O 1 ATOM 2379 C CB . SER A 1 308 ? -47.496 13.918 39.736 1.00 14.90 ? 388 SER A CB 1 ATOM 2380 O OG . SER A 1 308 ? -47.847 12.580 40.038 1.00 16.16 ? 388 SER A OG 1 ATOM 2381 N N . LYS A 1 309 ? -48.508 13.571 42.800 1.00 16.01 ? 389 LYS A N 1 ATOM 2382 C CA . LYS A 1 309 ? -48.223 12.895 44.059 1.00 15.85 ? 389 LYS A CA 1 ATOM 2383 C C . LYS A 1 309 ? -48.256 11.384 43.869 1.00 16.88 ? 389 LYS A C 1 ATOM 2384 O O . LYS A 1 309 ? -48.240 10.624 44.840 1.00 18.48 ? 389 LYS A O 1 ATOM 2385 C CB . LYS A 1 309 ? -49.229 13.315 45.129 1.00 16.97 ? 389 LYS A CB 1 ATOM 2386 C CG . LYS A 1 309 ? -48.970 14.696 45.712 1.00 18.58 ? 389 LYS A CG 1 ATOM 2387 C CD . LYS A 1 309 ? -50.056 15.084 46.708 1.00 20.27 ? 389 LYS A CD 1 ATOM 2388 C CE . LYS A 1 309 ? -49.690 16.346 47.473 1.00 20.33 ? 389 LYS A CE 1 ATOM 2389 N NZ . LYS A 1 309 ? -48.485 16.148 48.330 1.00 18.98 ? 389 LYS A NZ 1 ATOM 2390 N N . THR A 1 310 ? -48.289 10.956 42.610 1.00 14.61 ? 390 THR A N 1 ATOM 2391 C CA . THR A 1 310 ? -48.425 9.544 42.278 1.00 14.47 ? 390 THR A CA 1 ATOM 2392 C C . THR A 1 310 ? -47.076 8.842 42.237 1.00 15.37 ? 390 THR A C 1 ATOM 2393 O O . THR A 1 310 ? -46.299 9.026 41.302 1.00 15.15 ? 390 THR A O 1 ATOM 2394 C CB . THR A 1 310 ? -49.119 9.355 40.916 1.00 16.98 ? 390 THR A CB 1 ATOM 2395 O OG1 . THR A 1 310 ? -50.360 10.077 40.901 1.00 18.79 ? 390 THR A OG1 1 ATOM 2396 C CG2 . THR A 1 310 ? -49.385 7.877 40.650 1.00 17.90 ? 390 THR A CG2 1 ATOM 2397 N N . ILE A 1 311 ? -46.809 8.039 43.260 1.00 16.10 ? 391 ILE A N 1 ATOM 2398 C CA . ILE A 1 311 ? -45.576 7.267 43.339 1.00 16.82 ? 391 ILE A CA 1 ATOM 2399 C C . ILE A 1 311 ? -45.812 5.861 42.802 1.00 18.26 ? 391 ILE A C 1 ATOM 2400 O O . ILE A 1 311 ? -46.534 5.063 43.408 1.00 19.86 ? 391 ILE A O 1 ATOM 2401 C CB . ILE A 1 311 ? -45.065 7.196 44.787 1.00 16.98 ? 391 ILE A CB 1 ATOM 2402 C CG1 . ILE A 1 311 ? -44.845 8.611 45.334 1.00 18.82 ? 391 ILE A CG1 1 ATOM 2403 C CG2 . ILE A 1 311 ? -43.792 6.361 44.866 1.00 18.14 ? 391 ILE A CG2 1 ATOM 2404 C CD1 . ILE A 1 311 ? -44.601 8.665 46.831 1.00 20.65 ? 391 ILE A CD1 1 ATOM 2405 N N . VAL A 1 312 ? -45.216 5.564 41.652 1.00 18.07 ? 392 VAL A N 1 ATOM 2406 C CA . VAL A 1 312 ? -45.434 4.279 40.990 1.00 19.42 ? 392 VAL A CA 1 ATOM 2407 C C . VAL A 1 312 ? -44.463 3.209 41.466 1.00 17.57 ? 392 VAL A C 1 ATOM 2408 O O . VAL A 1 312 ? -44.799 2.023 41.483 1.00 18.26 ? 392 VAL A O 1 ATOM 2409 C CB . VAL A 1 312 ? -45.392 4.408 39.445 1.00 23.54 ? 392 VAL A CB 1 ATOM 2410 C CG1 . VAL A 1 312 ? -44.391 5.446 39.022 1.00 24.56 ? 392 VAL A CG1 1 ATOM 2411 C CG2 . VAL A 1 312 ? -45.082 3.071 38.792 1.00 26.06 ? 392 VAL A CG2 1 ATOM 2412 N N . LYS A 1 313 ? -43.262 3.632 41.852 1.00 15.95 ? 393 LYS A N 1 ATOM 2413 C CA . LYS A 1 313 ? -42.268 2.722 42.405 1.00 16.81 ? 393 LYS A CA 1 ATOM 2414 C C . LYS A 1 313 ? -41.523 3.392 43.543 1.00 14.80 ? 393 LYS A C 1 ATOM 2415 O O . LYS A 1 313 ? -41.295 4.598 43.521 1.00 14.28 ? 393 LYS A O 1 ATOM 2416 C CB . LYS A 1 313 ? -41.258 2.299 41.340 1.00 18.80 ? 393 LYS A CB 1 ATOM 2417 C CG . LYS A 1 313 ? -41.815 1.434 40.229 1.00 22.49 ? 393 LYS A CG 1 ATOM 2418 C CD . LYS A 1 313 ? -40.724 1.117 39.220 1.00 24.69 ? 393 LYS A CD 1 ATOM 2419 C CE . LYS A 1 313 ? -41.162 0.074 38.203 1.00 27.14 ? 393 LYS A CE 1 ATOM 2420 N NZ . LYS A 1 313 ? -42.211 0.576 37.282 1.00 29.52 ? 393 LYS A NZ 1 ATOM 2421 N N . LYS A 1 314 ? -41.145 2.604 44.538 1.00 15.33 ? 394 LYS A N 1 ATOM 2422 C CA . LYS A 1 314 ? -40.287 3.091 45.604 1.00 17.88 ? 394 LYS A CA 1 ATOM 2423 C C . LYS A 1 314 ? -39.337 1.989 46.034 1.00 17.57 ? 394 LYS A C 1 ATOM 2424 O O . LYS A 1 314 ? -39.756 0.858 46.283 1.00 21.05 ? 394 LYS A O 1 ATOM 2425 C CB . LYS A 1 314 ? -41.100 3.552 46.812 1.00 21.09 ? 394 LYS A CB 1 ATOM 2426 C CG . LYS A 1 314 ? -40.215 3.964 47.980 1.00 26.71 ? 394 LYS A CG 1 ATOM 2427 C CD . LYS A 1 314 ? -40.887 3.738 49.322 1.00 31.30 ? 394 LYS A CD 1 ATOM 2428 C CE . LYS A 1 314 ? -41.645 4.966 49.778 1.00 34.53 ? 394 LYS A CE 1 ATOM 2429 N NZ . LYS A 1 314 ? -42.084 4.836 51.198 1.00 36.81 ? 394 LYS A NZ 1 ATOM 2430 N N . VAL A 1 315 ? -38.055 2.318 46.119 1.00 14.94 ? 395 VAL A N 1 ATOM 2431 C CA . VAL A 1 315 ? -37.065 1.353 46.567 1.00 14.84 ? 395 VAL A CA 1 ATOM 2432 C C . VAL A 1 315 ? -36.209 1.965 47.669 1.00 13.28 ? 395 VAL A C 1 ATOM 2433 O O . VAL A 1 315 ? -35.718 3.084 47.534 1.00 13.53 ? 395 VAL A O 1 ATOM 2434 C CB . VAL A 1 315 ? -36.182 0.859 45.403 1.00 17.20 ? 395 VAL A CB 1 ATOM 2435 C CG1 . VAL A 1 315 ? -35.427 2.015 44.766 1.00 20.63 ? 395 VAL A CG1 1 ATOM 2436 C CG2 . VAL A 1 315 ? -35.223 -0.222 45.881 1.00 16.75 ? 395 VAL A CG2 1 ATOM 2437 N N . GLU A 1 316 ? -36.065 1.239 48.772 1.00 12.74 ? 396 GLU A N 1 ATOM 2438 C CA . GLU A 1 316 ? -35.234 1.699 49.873 1.00 10.93 ? 396 GLU A CA 1 ATOM 2439 C C . GLU A 1 316 ? -33.895 0.979 49.799 1.00 11.13 ? 396 GLU A C 1 ATOM 2440 O O . GLU A 1 316 ? -33.856 -0.248 49.670 1.00 13.21 ? 396 GLU A O 1 ATOM 2441 C CB . GLU A 1 316 ? -35.919 1.412 51.210 1.00 12.54 ? 396 GLU A CB 1 ATOM 2442 C CG . GLU A 1 316 ? -35.101 1.822 52.433 1.00 15.03 ? 396 GLU A CG 1 ATOM 2443 C CD . GLU A 1 316 ? -35.837 1.569 53.739 1.00 17.97 ? 396 GLU A CD 1 ATOM 2444 O OE1 . GLU A 1 316 ? -35.610 0.512 54.362 1.00 19.53 ? 396 GLU A OE1 1 ATOM 2445 O OE2 . GLU A 1 316 ? -36.645 2.429 54.146 1.00 20.35 ? 396 GLU A OE2 1 ATOM 2446 N N . VAL A 1 317 ? -32.801 1.738 49.862 1.00 9.53 ? 397 VAL A N 1 ATOM 2447 C CA . VAL A 1 317 ? -31.466 1.137 49.844 1.00 9.42 ? 397 VAL A CA 1 ATOM 2448 C C . VAL A 1 317 ? -30.717 1.348 51.161 1.00 8.50 ? 397 VAL A C 1 ATOM 2449 O O . VAL A 1 317 ? -29.593 0.866 51.339 1.00 9.66 ? 397 VAL A O 1 ATOM 2450 C CB . VAL A 1 317 ? -30.615 1.646 48.662 1.00 9.82 ? 397 VAL A CB 1 ATOM 2451 C CG1 . VAL A 1 317 ? -31.314 1.324 47.332 1.00 10.29 ? 397 VAL A CG1 1 ATOM 2452 C CG2 . VAL A 1 317 ? -30.335 3.145 48.801 1.00 11.27 ? 397 VAL A CG2 1 ATOM 2453 N N . LEU A 1 318 ? -31.352 2.062 52.085 1.00 8.46 ? 398 LEU A N 1 ATOM 2454 C CA . LEU A 1 318 ? -30.793 2.288 53.412 1.00 8.43 ? 398 LEU A CA 1 ATOM 2455 C C . LEU A 1 318 ? -31.944 2.567 54.364 1.00 9.56 ? 398 LEU A C 1 ATOM 2456 O O . LEU A 1 318 ? -32.726 3.496 54.143 1.00 9.71 ? 398 LEU A O 1 ATOM 2457 C CB . LEU A 1 318 ? -29.828 3.478 53.411 1.00 7.65 ? 398 LEU A CB 1 ATOM 2458 C CG . LEU A 1 318 ? -29.112 3.676 54.754 1.00 7.88 ? 398 LEU A CG 1 ATOM 2459 C CD1 . LEU A 1 318 ? -28.128 2.525 55.017 1.00 8.84 ? 398 LEU A CD1 1 ATOM 2460 C CD2 . LEU A 1 318 ? -28.403 5.030 54.830 1.00 10.04 ? 398 LEU A CD2 1 ATOM 2461 N N . ASN A 1 319 ? -32.074 1.764 55.414 1.00 10.87 ? 399 ASN A N 1 ATOM 2462 C CA . ASN A 1 319 ? -33.191 1.982 56.325 1.00 12.26 ? 399 ASN A CA 1 ATOM 2463 C C . ASN A 1 319 ? -32.970 3.182 57.254 1.00 10.85 ? 399 ASN A C 1 ATOM 2464 O O . ASN A 1 319 ? -31.852 3.694 57.376 1.00 9.70 ? 399 ASN A O 1 ATOM 2465 C CB . ASN A 1 319 ? -33.584 0.697 57.072 1.00 14.41 ? 399 ASN A CB 1 ATOM 2466 C CG . ASN A 1 319 ? -32.565 0.275 58.104 1.00 16.77 ? 399 ASN A CG 1 ATOM 2467 O OD1 . ASN A 1 319 ? -31.963 1.111 58.775 1.00 17.40 ? 399 ASN A OD1 1 ATOM 2468 N ND2 . ASN A 1 319 ? -32.389 -1.037 58.261 1.00 18.61 ? 399 ASN A ND2 1 ATOM 2469 N N . ASN A 1 320 ? -34.046 3.642 57.881 1.00 11.39 ? 400 ASN A N 1 ATOM 2470 C CA . ASN A 1 320 ? -34.019 4.878 58.655 1.00 12.69 ? 400 ASN A CA 1 ATOM 2471 C C . ASN A 1 320 ? -33.311 4.758 60.004 1.00 14.14 ? 400 ASN A C 1 ATOM 2472 O O . ASN A 1 320 ? -33.260 5.719 60.767 1.00 17.18 ? 400 ASN A O 1 ATOM 2473 C CB . ASN A 1 320 ? -35.442 5.405 58.856 1.00 13.84 ? 400 ASN A CB 1 ATOM 2474 C CG . ASN A 1 320 ? -35.475 6.885 59.190 1.00 16.04 ? 400 ASN A CG 1 ATOM 2475 O OD1 . ASN A 1 320 ? -34.579 7.641 58.808 1.00 17.05 ? 400 ASN A OD1 1 ATOM 2476 N ND2 . ASN A 1 320 ? -36.515 7.308 59.894 1.00 16.85 ? 400 ASN A ND2 1 ATOM 2477 N N . LYS A 1 321 ? -32.763 3.583 60.295 1.00 13.02 ? 401 LYS A N 1 ATOM 2478 C CA . LYS A 1 321 ? -31.982 3.398 61.513 1.00 14.24 ? 401 LYS A CA 1 ATOM 2479 C C . LYS A 1 321 ? -30.503 3.658 61.251 1.00 12.97 ? 401 LYS A C 1 ATOM 2480 O O . LYS A 1 321 ? -29.665 3.488 62.139 1.00 13.81 ? 401 LYS A O 1 ATOM 2481 C CB . LYS A 1 321 ? -32.190 1.990 62.076 1.00 18.23 ? 401 LYS A CB 1 ATOM 2482 C CG . LYS A 1 321 ? -33.655 1.650 62.296 1.00 24.83 ? 401 LYS A CG 1 ATOM 2483 C CD . LYS A 1 321 ? -33.946 1.240 63.726 1.00 31.86 ? 401 LYS A CD 1 ATOM 2484 C CE . LYS A 1 321 ? -33.854 -0.266 63.897 1.00 36.30 ? 401 LYS A CE 1 ATOM 2485 N NZ . LYS A 1 321 ? -34.391 -0.698 65.222 1.00 39.02 ? 401 LYS A NZ 1 ATOM 2486 N N . ASN A 1 322 ? -30.193 4.085 60.031 1.00 10.82 ? 402 ASN A N 1 ATOM 2487 C CA . ASN A 1 322 ? -28.808 4.281 59.613 1.00 9.38 ? 402 ASN A CA 1 ATOM 2488 C C . ASN A 1 322 ? -28.564 5.624 58.948 1.00 10.36 ? 402 ASN A C 1 ATOM 2489 O O . ASN A 1 322 ? -29.438 6.156 58.272 1.00 11.45 ? 402 ASN A O 1 ATOM 2490 C CB . ASN A 1 322 ? -28.372 3.155 58.681 1.00 10.58 ? 402 ASN A CB 1 ATOM 2491 C CG . ASN A 1 322 ? -28.199 1.844 59.413 1.00 12.66 ? 402 ASN A CG 1 ATOM 2492 O OD1 . ASN A 1 322 ? -27.192 1.630 60.092 1.00 14.01 ? 402 ASN A OD1 1 ATOM 2493 N ND2 . ASN A 1 322 ? -29.187 0.966 59.297 1.00 13.52 ? 402 ASN A ND2 1 ATOM 2494 N N . TRP A 1 323 ? -27.356 6.150 59.128 1.00 9.94 ? 403 TRP A N 1 ATOM 2495 C CA . TRP A 1 323 ? -27.027 7.489 58.654 1.00 8.96 ? 403 TRP A CA 1 ATOM 2496 C C . TRP A 1 323 ? -26.760 7.525 57.160 1.00 8.77 ? 403 TRP A C 1 ATOM 2497 O O . TRP A 1 323 ? -26.050 6.668 56.621 1.00 9.01 ? 403 TRP A O 1 ATOM 2498 C CB . TRP A 1 323 ? -25.821 8.048 59.419 1.00 10.50 ? 403 TRP A CB 1 ATOM 2499 C CG . TRP A 1 323 ? -26.059 8.091 60.892 1.00 11.44 ? 403 TRP A CG 1 ATOM 2500 C CD1 . TRP A 1 323 ? -25.416 7.365 61.851 1.00 11.54 ? 403 TRP A CD1 1 ATOM 2501 C CD2 . TRP A 1 323 ? -27.039 8.883 61.575 1.00 12.08 ? 403 TRP A CD2 1 ATOM 2502 N NE1 . TRP A 1 323 ? -25.926 7.668 63.095 1.00 12.71 ? 403 TRP A NE1 1 ATOM 2503 C CE2 . TRP A 1 323 ? -26.925 8.594 62.950 1.00 13.30 ? 403 TRP A CE2 1 ATOM 2504 C CE3 . TRP A 1 323 ? -27.997 9.813 61.157 1.00 14.02 ? 403 TRP A CE3 1 ATOM 2505 C CZ2 . TRP A 1 323 ? -27.731 9.205 63.910 1.00 14.87 ? 403 TRP A CZ2 1 ATOM 2506 C CZ3 . TRP A 1 323 ? -28.799 10.413 62.110 1.00 15.50 ? 403 TRP A CZ3 1 ATOM 2507 C CH2 . TRP A 1 323 ? -28.659 10.108 63.471 1.00 15.18 ? 403 TRP A CH2 1 ATOM 2508 N N . SER A 1 324 ? -27.354 8.515 56.496 1.00 7.67 ? 404 SER A N 1 ATOM 2509 C CA . SER A 1 324 ? -27.072 8.772 55.091 1.00 7.89 ? 404 SER A CA 1 ATOM 2510 C C . SER A 1 324 ? -26.306 10.086 54.953 1.00 8.58 ? 404 SER A C 1 ATOM 2511 O O . SER A 1 324 ? -25.368 10.339 55.705 1.00 9.71 ? 404 SER A O 1 ATOM 2512 C CB . SER A 1 324 ? -28.359 8.776 54.250 1.00 8.66 ? 404 SER A CB 1 ATOM 2513 O OG . SER A 1 324 ? -29.351 9.632 54.796 1.00 9.13 ? 404 SER A OG 1 ATOM 2514 N N . GLY A 1 325 ? -26.708 10.926 54.007 1.00 7.71 ? 405 GLY A N 1 ATOM 2515 C CA . GLY A 1 325 ? -25.922 12.101 53.664 1.00 7.69 ? 405 GLY A CA 1 ATOM 2516 C C . GLY A 1 325 ? -26.193 12.525 52.235 1.00 7.86 ? 405 GLY A C 1 ATOM 2517 O O . GLY A 1 325 ? -27.316 12.383 51.752 1.00 8.98 ? 405 GLY A O 1 ATOM 2518 N N . TYR A 1 326 ? -25.167 13.043 51.564 1.00 7.52 ? 406 TYR A N 1 ATOM 2519 C CA . TYR A 1 326 ? -25.284 13.483 50.173 1.00 7.28 ? 406 TYR A CA 1 ATOM 2520 C C . TYR A 1 326 ? -25.624 12.337 49.233 1.00 8.20 ? 406 TYR A C 1 ATOM 2521 O O . TYR A 1 326 ? -25.322 11.183 49.513 1.00 8.65 ? 406 TYR A O 1 ATOM 2522 C CB . TYR A 1 326 ? -23.970 14.117 49.716 1.00 7.54 ? 406 TYR A CB 1 ATOM 2523 C CG . TYR A 1 326 ? -23.795 15.547 50.164 1.00 8.18 ? 406 TYR A CG 1 ATOM 2524 C CD1 . TYR A 1 326 ? -24.626 16.097 51.130 1.00 9.29 ? 406 TYR A CD1 1 ATOM 2525 C CD2 . TYR A 1 326 ? -22.802 16.349 49.616 1.00 7.74 ? 406 TYR A CD2 1 ATOM 2526 C CE1 . TYR A 1 326 ? -24.484 17.406 51.534 1.00 10.47 ? 406 TYR A CE1 1 ATOM 2527 C CE2 . TYR A 1 326 ? -22.647 17.662 50.019 1.00 8.40 ? 406 TYR A CE2 1 ATOM 2528 C CZ . TYR A 1 326 ? -23.498 18.185 50.976 1.00 9.93 ? 406 TYR A CZ 1 ATOM 2529 O OH . TYR A 1 326 ? -23.364 19.489 51.389 1.00 10.77 ? 406 TYR A OH 1 ATOM 2530 N N . SER A 1 327 ? -26.249 12.665 48.108 1.00 6.96 ? 407 SER A N 1 ATOM 2531 C CA . SER A 1 327 ? -26.397 11.707 47.019 1.00 6.77 ? 407 SER A CA 1 ATOM 2532 C C . SER A 1 327 ? -26.230 12.457 45.707 1.00 7.34 ? 407 SER A C 1 ATOM 2533 O O . SER A 1 327 ? -26.433 13.668 45.655 1.00 8.08 ? 407 SER A O 1 ATOM 2534 C CB . SER A 1 327 ? -27.747 10.983 47.083 1.00 7.52 ? 407 SER A CB 1 ATOM 2535 O OG . SER A 1 327 ? -28.826 11.898 47.210 1.00 8.97 ? 407 SER A OG 1 ATOM 2536 N N . GLY A 1 328 ? -25.855 11.750 44.648 1.00 7.26 ? 408 GLY A N 1 ATOM 2537 C CA . GLY A 1 328 ? -25.562 12.421 43.396 1.00 7.62 ? 408 GLY A CA 1 ATOM 2538 C C . GLY A 1 328 ? -25.703 11.530 42.183 1.00 7.27 ? 408 GLY A C 1 ATOM 2539 O O . GLY A 1 328 ? -25.688 10.303 42.290 1.00 9.18 ? 408 GLY A O 1 ATOM 2540 N N . ALA A 1 329 ? -25.820 12.165 41.022 1.00 8.72 ? 409 ALA A N 1 ATOM 2541 C CA . ALA A 1 329 ? -26.080 11.474 39.767 1.00 8.25 ? 409 ALA A CA 1 ATOM 2542 C C . ALA A 1 329 ? -24.844 11.425 38.876 1.00 9.01 ? 409 ALA A C 1 ATOM 2543 O O . ALA A 1 329 ? -24.015 12.336 38.893 1.00 9.21 ? 409 ALA A O 1 ATOM 2544 C CB . ALA A 1 329 ? -27.202 12.176 39.031 1.00 11.82 ? 409 ALA A CB 1 ATOM 2545 N N . PHE A 1 330 ? -24.738 10.351 38.103 1.00 8.18 ? 410 PHE A N 1 ATOM 2546 C CA . PHE A 1 330 ? -23.771 10.255 37.015 1.00 8.59 ? 410 PHE A CA 1 ATOM 2547 C C . PHE A 1 330 ? -24.331 9.301 35.965 1.00 8.49 ? 410 PHE A C 1 ATOM 2548 O O . PHE A 1 330 ? -25.385 8.702 36.173 1.00 9.42 ? 410 PHE A O 1 ATOM 2549 C CB . PHE A 1 330 ? -22.380 9.818 37.508 1.00 7.90 ? 410 PHE A CB 1 ATOM 2550 C CG . PHE A 1 330 ? -22.321 8.414 38.064 1.00 8.40 ? 410 PHE A CG 1 ATOM 2551 C CD1 . PHE A 1 330 ? -22.780 8.137 39.343 1.00 7.95 ? 410 PHE A CD1 1 ATOM 2552 C CD2 . PHE A 1 330 ? -21.768 7.382 37.321 1.00 9.48 ? 410 PHE A CD2 1 ATOM 2553 C CE1 . PHE A 1 330 ? -22.708 6.855 39.863 1.00 8.51 ? 410 PHE A CE1 1 ATOM 2554 C CE2 . PHE A 1 330 ? -21.691 6.098 37.833 1.00 8.98 ? 410 PHE A CE2 1 ATOM 2555 C CZ . PHE A 1 330 ? -22.158 5.833 39.109 1.00 8.58 ? 410 PHE A CZ 1 ATOM 2556 N N . THR A 1 331 ? -23.653 9.189 34.827 1.00 8.35 ? 411 THR A N 1 ATOM 2557 C CA . THR A 1 331 ? -24.094 8.291 33.769 1.00 9.63 ? 411 THR A CA 1 ATOM 2558 C C . THR A 1 331 ? -22.953 7.408 33.298 1.00 10.24 ? 411 THR A C 1 ATOM 2559 O O . THR A 1 331 ? -21.779 7.750 33.468 1.00 12.68 ? 411 THR A O 1 ATOM 2560 C CB . THR A 1 331 ? -24.659 9.059 32.551 1.00 11.34 ? 411 THR A CB 1 ATOM 2561 O OG1 . THR A 1 331 ? -23.693 10.011 32.086 1.00 12.35 ? 411 THR A OG1 1 ATOM 2562 C CG2 . THR A 1 331 ? -25.940 9.788 32.925 1.00 11.67 ? 411 THR A CG2 1 ATOM 2563 N N . ILE A 1 332 ? -23.303 6.267 32.715 1.00 10.51 ? 412 ILE A N 1 ATOM 2564 C CA . ILE A 1 332 ? -22.312 5.400 32.088 1.00 12.47 ? 412 ILE A CA 1 ATOM 2565 C C . ILE A 1 332 ? -22.374 5.589 30.581 1.00 13.26 ? 412 ILE A C 1 ATOM 2566 O O . ILE A 1 332 ? -23.436 5.442 29.977 1.00 14.74 ? 412 ILE A O 1 ATOM 2567 C CB . ILE A 1 332 ? -22.566 3.922 32.394 1.00 15.28 ? 412 ILE A CB 1 ATOM 2568 C CG1 . ILE A 1 332 ? -22.762 3.712 33.897 1.00 17.45 ? 412 ILE A CG1 1 ATOM 2569 C CG2 . ILE A 1 332 ? -21.415 3.076 31.862 1.00 15.44 ? 412 ILE A CG2 1 ATOM 2570 C CD1 . ILE A 1 332 ? -23.087 2.280 34.271 1.00 19.39 ? 412 ILE A CD1 1 ATOM 2571 N N . PRO A 1 333 ? -21.232 5.915 29.966 1.00 13.55 ? 413 PRO A N 1 ATOM 2572 C CA . PRO A 1 333 ? -21.185 6.192 28.528 1.00 14.09 ? 413 PRO A CA 1 ATOM 2573 C C . PRO A 1 333 ? -21.374 4.943 27.672 1.00 15.08 ? 413 PRO A C 1 ATOM 2574 O O . PRO A 1 333 ? -21.185 3.817 28.140 1.00 15.36 ? 413 PRO A O 1 ATOM 2575 C CB . PRO A 1 333 ? -19.775 6.763 28.331 1.00 14.60 ? 413 PRO A CB 1 ATOM 2576 C CG . PRO A 1 333 ? -18.985 6.199 29.453 1.00 16.51 ? 413 PRO A CG 1 ATOM 2577 C CD . PRO A 1 333 ? -19.930 6.139 30.616 1.00 15.39 ? 413 PRO A CD 1 ATOM 2578 N N . ILE A 1 334 A -21.741 5.167 26.415 1.00 15.49 ? 413 ILE A N 1 ATOM 2579 C CA . ILE A 1 334 A -22.001 4.102 25.454 1.00 19.19 ? 413 ILE A CA 1 ATOM 2580 C C . ILE A 1 334 A -20.818 3.157 25.263 1.00 19.49 ? 413 ILE A C 1 ATOM 2581 O O . ILE A 1 334 A -20.993 1.999 24.874 1.00 19.69 ? 413 ILE A O 1 ATOM 2582 C CB . ILE A 1 334 A -22.372 4.700 24.079 1.00 24.00 ? 413 ILE A CB 1 ATOM 2583 C CG1 . ILE A 1 334 A -23.586 5.620 24.208 1.00 26.08 ? 413 ILE A CG1 1 ATOM 2584 C CG2 . ILE A 1 334 A -22.618 3.607 23.066 1.00 28.25 ? 413 ILE A CG2 1 ATOM 2585 C CD1 . ILE A 1 334 A -24.709 5.033 25.018 1.00 27.88 ? 413 ILE A CD1 1 ATOM 2586 N N . THR A 1 335 B -19.615 3.653 25.531 1.00 20.14 ? 413 THR A N 1 ATOM 2587 C CA . THR A 1 335 B -18.402 2.872 25.310 1.00 21.44 ? 413 THR A CA 1 ATOM 2588 C C . THR A 1 335 B -18.274 1.690 26.269 1.00 23.39 ? 413 THR A C 1 ATOM 2589 O O . THR A 1 335 B -17.540 0.740 25.991 1.00 25.63 ? 413 THR A O 1 ATOM 2590 C CB . THR A 1 335 B -17.138 3.746 25.426 1.00 22.72 ? 413 THR A CB 1 ATOM 2591 O OG1 . THR A 1 335 B -17.143 4.428 26.684 1.00 23.09 ? 413 THR A OG1 1 ATOM 2592 C CG2 . THR A 1 335 B -17.087 4.768 24.304 1.00 22.93 ? 413 THR A CG2 1 ATOM 2593 N N . MET A 1 336 C -18.975 1.747 27.398 1.00 22.87 ? 413 MET A N 1 ATOM 2594 C CA . MET A 1 336 C -18.918 0.657 28.366 1.00 25.42 ? 413 MET A CA 1 ATOM 2595 C C . MET A 1 336 C -20.149 -0.239 28.297 1.00 24.56 ? 413 MET A C 1 ATOM 2596 O O . MET A 1 336 C -20.146 -1.347 28.828 1.00 26.39 ? 413 MET A O 1 ATOM 2597 C CB . MET A 1 336 C -18.768 1.191 29.795 1.00 29.81 ? 413 MET A CB 1 ATOM 2598 C CG . MET A 1 336 C -18.077 2.536 29.921 1.00 34.41 ? 413 MET A CG 1 ATOM 2599 S SD . MET A 1 336 C -17.447 2.812 31.593 1.00 39.27 ? 413 MET A SD 1 ATOM 2600 C CE . MET A 1 336 C -16.166 1.568 31.622 1.00 39.56 ? 413 MET A CE 1 ATOM 2601 N N . THR A 1 337 D -21.205 0.237 27.646 1.00 22.69 ? 413 THR A N 1 ATOM 2602 C CA . THR A 1 337 D -22.477 -0.476 27.675 1.00 22.13 ? 413 THR A CA 1 ATOM 2603 C C . THR A 1 337 D -22.903 -1.008 26.312 1.00 24.60 ? 413 THR A C 1 ATOM 2604 O O . THR A 1 337 D -23.705 -1.939 26.229 1.00 25.19 ? 413 THR A O 1 ATOM 2605 C CB . THR A 1 337 D -23.608 0.423 28.214 1.00 20.46 ? 413 THR A CB 1 ATOM 2606 O OG1 . THR A 1 337 D -23.938 1.419 27.236 1.00 20.87 ? 413 THR A OG1 1 ATOM 2607 C CG2 . THR A 1 337 D -23.183 1.105 29.511 1.00 21.34 ? 413 THR A CG2 1 ATOM 2608 N N . SER A 1 338 ? -22.378 -0.405 25.250 1.00 24.96 ? 414 SER A N 1 ATOM 2609 C CA . SER A 1 338 ? -22.812 -0.718 23.890 1.00 26.56 ? 414 SER A CA 1 ATOM 2610 C C . SER A 1 338 ? -24.304 -0.448 23.671 1.00 25.99 ? 414 SER A C 1 ATOM 2611 O O . SER A 1 338 ? -24.890 -0.941 22.708 1.00 27.71 ? 414 SER A O 1 ATOM 2612 C CB . SER A 1 338 ? -22.492 -2.173 23.536 1.00 28.83 ? 414 SER A CB 1 ATOM 2613 O OG . SER A 1 338 ? -21.115 -2.458 23.711 1.00 30.46 ? 414 SER A OG 1 ATOM 2614 N N . LYS A 1 339 ? -24.919 0.328 24.561 1.00 24.27 ? 415 LYS A N 1 ATOM 2615 C CA . LYS A 1 339 ? -26.331 0.675 24.418 1.00 22.91 ? 415 LYS A CA 1 ATOM 2616 C C . LYS A 1 339 ? -26.488 1.910 23.539 1.00 22.24 ? 415 LYS A C 1 ATOM 2617 O O . LYS A 1 339 ? -25.502 2.504 23.111 1.00 23.82 ? 415 LYS A O 1 ATOM 2618 C CB . LYS A 1 339 ? -26.981 0.927 25.784 1.00 23.61 ? 415 LYS A CB 1 ATOM 2619 C CG . LYS A 1 339 ? -26.831 -0.218 26.773 1.00 26.57 ? 415 LYS A CG 1 ATOM 2620 C CD . LYS A 1 339 ? -27.700 -0.009 28.010 1.00 29.65 ? 415 LYS A CD 1 ATOM 2621 C CE . LYS A 1 339 ? -29.162 -0.288 27.696 1.00 33.02 ? 415 LYS A CE 1 ATOM 2622 N NZ . LYS A 1 339 ? -30.047 -0.124 28.883 1.00 35.29 ? 415 LYS A NZ 1 ATOM 2623 N N . GLN A 1 340 ? -27.733 2.296 23.281 1.00 21.18 ? 416 GLN A N 1 ATOM 2624 C CA . GLN A 1 340 ? -28.020 3.480 22.482 1.00 21.58 ? 416 GLN A CA 1 ATOM 2625 C C . GLN A 1 340 ? -28.476 4.610 23.389 1.00 18.31 ? 416 GLN A C 1 ATOM 2626 O O . GLN A 1 340 ? -28.902 5.664 22.921 1.00 19.52 ? 416 GLN A O 1 ATOM 2627 C CB . GLN A 1 340 ? -29.108 3.176 21.452 1.00 27.44 ? 416 GLN A CB 1 ATOM 2628 C CG . GLN A 1 340 ? -28.825 1.944 20.606 1.00 34.82 ? 416 GLN A CG 1 ATOM 2629 C CD . GLN A 1 340 ? -27.567 2.090 19.778 1.00 40.47 ? 416 GLN A CD 1 ATOM 2630 O OE1 . GLN A 1 340 ? -27.419 3.050 19.021 1.00 43.56 ? 416 GLN A OE1 1 ATOM 2631 N NE2 . GLN A 1 340 ? -26.652 1.135 19.914 1.00 42.31 ? 416 GLN A NE2 1 ATOM 2632 N N . CYS A 1 341 ? -28.385 4.380 24.694 1.00 15.86 ? 417 CYS A N 1 ATOM 2633 C CA . CYS A 1 341 ? -28.794 5.374 25.673 1.00 14.60 ? 417 CYS A CA 1 ATOM 2634 C C . CYS A 1 341 ? -27.814 5.406 26.841 1.00 13.48 ? 417 CYS A C 1 ATOM 2635 O O . CYS A 1 341 ? -27.043 4.467 27.045 1.00 15.36 ? 417 CYS A O 1 ATOM 2636 C CB . CYS A 1 341 ? -30.226 5.106 26.165 1.00 18.02 ? 417 CYS A CB 1 ATOM 2637 S SG . CYS A 1 341 ? -30.508 3.492 26.952 1.00 21.32 ? 417 CYS A SG 1 ATOM 2638 N N . LEU A 1 342 ? -27.844 6.495 27.599 1.00 11.61 ? 418 LEU A N 1 ATOM 2639 C CA . LEU A 1 342 ? -26.932 6.674 28.720 1.00 11.17 ? 418 LEU A CA 1 ATOM 2640 C C . LEU A 1 342 ? -27.549 6.111 29.994 1.00 11.69 ? 418 LEU A C 1 ATOM 2641 O O . LEU A 1 342 ? -28.674 6.459 30.348 1.00 13.67 ? 418 LEU A O 1 ATOM 2642 C CB . LEU A 1 342 ? -26.604 8.157 28.890 1.00 12.43 ? 418 LEU A CB 1 ATOM 2643 C CG . LEU A 1 342 ? -26.067 8.823 27.622 1.00 13.94 ? 418 LEU A CG 1 ATOM 2644 C CD1 . LEU A 1 342 ? -25.836 10.319 27.831 1.00 13.75 ? 418 LEU A CD1 1 ATOM 2645 C CD2 . LEU A 1 342 ? -24.795 8.134 27.147 1.00 16.03 ? 418 LEU A CD2 1 ATOM 2646 N N . VAL A 1 343 ? -26.815 5.245 30.686 1.00 10.97 ? 419 VAL A N 1 ATOM 2647 C CA . VAL A 1 343 ? -27.343 4.604 31.889 1.00 11.27 ? 419 VAL A CA 1 ATOM 2648 C C . VAL A 1 343 ? -27.261 5.530 33.098 1.00 9.70 ? 419 VAL A C 1 ATOM 2649 O O . VAL A 1 343 ? -26.183 5.997 33.449 1.00 10.19 ? 419 VAL A O 1 ATOM 2650 C CB . VAL A 1 343 ? -26.596 3.293 32.204 1.00 11.70 ? 419 VAL A CB 1 ATOM 2651 C CG1 . VAL A 1 343 ? -27.131 2.667 33.486 1.00 11.82 ? 419 VAL A CG1 1 ATOM 2652 C CG2 . VAL A 1 343 ? -26.728 2.321 31.041 1.00 13.73 ? 419 VAL A CG2 1 ATOM 2653 N N . PRO A 1 344 ? -28.408 5.806 33.735 1.00 9.40 ? 420 PRO A N 1 ATOM 2654 C CA . PRO A 1 344 ? -28.397 6.644 34.938 1.00 9.58 ? 420 PRO A CA 1 ATOM 2655 C C . PRO A 1 344 ? -27.961 5.860 36.173 1.00 9.33 ? 420 PRO A C 1 ATOM 2656 O O . PRO A 1 344 ? -28.458 4.755 36.408 1.00 11.36 ? 420 PRO A O 1 ATOM 2657 C CB . PRO A 1 344 ? -29.863 7.051 35.082 1.00 9.69 ? 420 PRO A CB 1 ATOM 2658 C CG . PRO A 1 344 ? -30.612 5.905 34.474 1.00 10.59 ? 420 PRO A CG 1 ATOM 2659 C CD . PRO A 1 344 ? -29.781 5.498 33.290 1.00 11.14 ? 420 PRO A CD 1 ATOM 2660 N N . CYS A 1 345 ? -27.040 6.432 36.943 1.00 8.21 ? 421 CYS A N 1 ATOM 2661 C CA . CYS A 1 345 ? -26.584 5.840 38.200 1.00 8.22 ? 421 CYS A CA 1 ATOM 2662 C C . CYS A 1 345 ? -26.573 6.900 39.287 1.00 8.26 ? 421 CYS A C 1 ATOM 2663 O O . CYS A 1 345 ? -26.517 8.095 39.003 1.00 9.83 ? 421 CYS A O 1 ATOM 2664 C CB . CYS A 1 345 ? -25.162 5.297 38.061 1.00 10.31 ? 421 CYS A CB 1 ATOM 2665 S SG . CYS A 1 345 ? -24.913 4.106 36.745 1.00 11.67 ? 421 CYS A SG 1 ATOM 2666 N N . PHE A 1 346 ? -26.605 6.464 40.541 1.00 7.72 ? 422 PHE A N 1 ATOM 2667 C CA . PHE A 1 346 ? -26.434 7.401 41.641 1.00 8.14 ? 422 PHE A CA 1 ATOM 2668 C C . PHE A 1 346 ? -25.521 6.815 42.701 1.00 8.34 ? 422 PHE A C 1 ATOM 2669 O O . PHE A 1 346 ? -25.324 5.603 42.766 1.00 9.64 ? 422 PHE A O 1 ATOM 2670 C CB . PHE A 1 346 ? -27.786 7.839 42.233 1.00 8.19 ? 422 PHE A CB 1 ATOM 2671 C CG . PHE A 1 346 ? -28.489 6.776 43.045 1.00 8.15 ? 422 PHE A CG 1 ATOM 2672 C CD1 . PHE A 1 346 ? -29.394 5.908 42.449 1.00 9.61 ? 422 PHE A CD1 1 ATOM 2673 C CD2 . PHE A 1 346 ? -28.272 6.675 44.414 1.00 7.82 ? 422 PHE A CD2 1 ATOM 2674 C CE1 . PHE A 1 346 ? -30.056 4.945 43.201 1.00 10.20 ? 422 PHE A CE1 1 ATOM 2675 C CE2 . PHE A 1 346 ? -28.924 5.716 45.170 1.00 8.92 ? 422 PHE A CE2 1 ATOM 2676 C CZ . PHE A 1 346 ? -29.815 4.846 44.562 1.00 9.96 ? 422 PHE A CZ 1 ATOM 2677 N N . TRP A 1 347 ? -24.932 7.689 43.504 1.00 8.26 ? 423 TRP A N 1 ATOM 2678 C CA . TRP A 1 347 ? -24.170 7.254 44.658 1.00 8.33 ? 423 TRP A CA 1 ATOM 2679 C C . TRP A 1 347 ? -24.823 7.838 45.904 1.00 7.71 ? 423 TRP A C 1 ATOM 2680 O O . TRP A 1 347 ? -25.571 8.824 45.841 1.00 7.90 ? 423 TRP A O 1 ATOM 2681 C CB . TRP A 1 347 ? -22.691 7.677 44.548 1.00 7.88 ? 423 TRP A CB 1 ATOM 2682 C CG . TRP A 1 347 ? -22.533 9.120 44.203 1.00 8.12 ? 423 TRP A CG 1 ATOM 2683 C CD1 . TRP A 1 347 ? -22.337 9.651 42.959 1.00 7.40 ? 423 TRP A CD1 1 ATOM 2684 C CD2 . TRP A 1 347 ? -22.612 10.225 45.105 1.00 6.69 ? 423 TRP A CD2 1 ATOM 2685 N NE1 . TRP A 1 347 ? -22.266 11.022 43.036 1.00 7.63 ? 423 TRP A NE1 1 ATOM 2686 C CE2 . TRP A 1 347 ? -22.439 11.400 44.343 1.00 7.32 ? 423 TRP A CE2 1 ATOM 2687 C CE3 . TRP A 1 347 ? -22.810 10.337 46.490 1.00 7.11 ? 423 TRP A CE3 1 ATOM 2688 C CZ2 . TRP A 1 347 ? -22.457 12.673 44.917 1.00 7.77 ? 423 TRP A CZ2 1 ATOM 2689 C CZ3 . TRP A 1 347 ? -22.831 11.604 47.059 1.00 8.26 ? 423 TRP A CZ3 1 ATOM 2690 C CH2 . TRP A 1 347 ? -22.654 12.755 46.271 1.00 8.68 ? 423 TRP A CH2 1 ATOM 2691 N N . LEU A 1 348 ? -24.542 7.208 47.031 1.00 7.46 ? 424 LEU A N 1 ATOM 2692 C CA . LEU A 1 348 ? -25.071 7.625 48.314 1.00 6.92 ? 424 LEU A CA 1 ATOM 2693 C C . LEU A 1 348 ? -23.928 7.744 49.311 1.00 7.71 ? 424 LEU A C 1 ATOM 2694 O O . LEU A 1 348 ? -23.143 6.808 49.470 1.00 8.67 ? 424 LEU A O 1 ATOM 2695 C CB . LEU A 1 348 ? -26.082 6.590 48.810 1.00 6.51 ? 424 LEU A CB 1 ATOM 2696 C CG . LEU A 1 348 ? -26.638 6.840 50.212 1.00 7.85 ? 424 LEU A CG 1 ATOM 2697 C CD1 . LEU A 1 348 ? -27.396 8.161 50.261 1.00 9.22 ? 424 LEU A CD1 1 ATOM 2698 C CD2 . LEU A 1 348 ? -27.517 5.672 50.649 1.00 8.83 ? 424 LEU A CD2 1 ATOM 2699 N N . GLU A 1 349 ? -23.838 8.901 49.964 1.00 7.45 ? 425 GLU A N 1 ATOM 2700 C CA . GLU A 1 349 ? -22.881 9.138 51.039 1.00 7.87 ? 425 GLU A CA 1 ATOM 2701 C C . GLU A 1 349 ? -23.494 8.788 52.389 1.00 8.64 ? 425 GLU A C 1 ATOM 2702 O O . GLU A 1 349 ? -24.604 9.212 52.702 1.00 9.22 ? 425 GLU A O 1 ATOM 2703 C CB . GLU A 1 349 ? -22.474 10.612 51.070 1.00 8.78 ? 425 GLU A CB 1 ATOM 2704 C CG . GLU A 1 349 ? -21.495 10.942 52.183 1.00 7.88 ? 425 GLU A CG 1 ATOM 2705 C CD . GLU A 1 349 ? -21.289 12.437 52.392 1.00 7.57 ? 425 GLU A CD 1 ATOM 2706 O OE1 . GLU A 1 349 ? -22.254 13.218 52.244 1.00 8.16 ? 425 GLU A OE1 1 ATOM 2707 O OE2 . GLU A 1 349 ? -20.153 12.827 52.725 1.00 7.95 ? 425 GLU A OE2 1 ATOM 2708 N N . MET A 1 350 ? -22.759 8.032 53.196 1.00 6.87 ? 426 MET A N 1 ATOM 2709 C CA . MET A 1 350 ? -23.223 7.687 54.535 1.00 6.41 ? 426 MET A CA 1 ATOM 2710 C C . MET A 1 350 ? -22.260 8.262 55.566 1.00 7.08 ? 426 MET A C 1 ATOM 2711 O O . MET A 1 350 ? -21.129 7.796 55.702 1.00 8.86 ? 426 MET A O 1 ATOM 2712 C CB . MET A 1 350 ? -23.385 6.172 54.669 1.00 8.69 ? 426 MET A CB 1 ATOM 2713 C CG . MET A 1 350 ? -24.485 5.644 53.751 1.00 9.11 ? 426 MET A CG 1 ATOM 2714 S SD . MET A 1 350 ? -24.653 3.857 53.674 1.00 10.84 ? 426 MET A SD 1 ATOM 2715 C CE . MET A 1 350 ? -23.118 3.385 52.874 1.00 10.15 ? 426 MET A CE 1 ATOM 2716 N N . ILE A 1 351 ? -22.717 9.300 56.265 1.00 6.92 ? 427 ILE A N 1 ATOM 2717 C CA . ILE A 1 351 ? -21.867 10.080 57.159 1.00 7.12 ? 427 ILE A CA 1 ATOM 2718 C C . ILE A 1 351 ? -21.829 9.491 58.562 1.00 7.26 ? 427 ILE A C 1 ATOM 2719 O O . ILE A 1 351 ? -22.870 9.183 59.139 1.00 8.89 ? 427 ILE A O 1 ATOM 2720 C CB . ILE A 1 351 ? -22.360 11.544 57.246 1.00 6.86 ? 427 ILE A CB 1 ATOM 2721 C CG1 . ILE A 1 351 ? -22.367 12.192 55.857 1.00 7.96 ? 427 ILE A CG1 1 ATOM 2722 C CG2 . ILE A 1 351 ? -21.511 12.353 58.223 1.00 8.50 ? 427 ILE A CG2 1 ATOM 2723 C CD1 . ILE A 1 351 ? -23.175 13.484 55.780 1.00 8.59 ? 427 ILE A CD1 1 ATOM 2724 N N . ARG A 1 352 ? -20.626 9.347 59.107 1.00 7.29 ? 428 ARG A N 1 ATOM 2725 C CA . ARG A 1 352 ? -20.453 8.881 60.479 1.00 7.95 ? 428 ARG A CA 1 ATOM 2726 C C . ARG A 1 352 ? -19.696 9.926 61.283 1.00 8.44 ? 428 ARG A C 1 ATOM 2727 O O . ARG A 1 352 ? -18.877 10.672 60.734 1.00 8.85 ? 428 ARG A O 1 ATOM 2728 C CB . ARG A 1 352 ? -19.687 7.557 60.510 1.00 8.08 ? 428 ARG A CB 1 ATOM 2729 C CG . ARG A 1 352 ? -20.330 6.432 59.698 1.00 7.36 ? 428 ARG A CG 1 ATOM 2730 C CD . ARG A 1 352 ? -21.751 6.116 60.155 1.00 9.13 ? 428 ARG A CD 1 ATOM 2731 N NE . ARG A 1 352 ? -21.825 5.798 61.579 1.00 9.60 ? 428 ARG A NE 1 ATOM 2732 C CZ . ARG A 1 352 ? -21.588 4.593 62.094 1.00 9.65 ? 428 ARG A CZ 1 ATOM 2733 N NH1 . ARG A 1 352 ? -21.252 3.575 61.303 1.00 9.72 ? 428 ARG A NH1 1 ATOM 2734 N NH2 . ARG A 1 352 ? -21.687 4.402 63.402 1.00 10.33 ? 428 ARG A NH2 1 ATOM 2735 N N . GLY A 1 353 ? -19.960 9.977 62.584 1.00 8.31 ? 429 GLY A N 1 ATOM 2736 C CA . GLY A 1 353 ? -19.311 10.950 63.443 1.00 8.67 ? 429 GLY A CA 1 ATOM 2737 C C . GLY A 1 353 ? -20.171 12.184 63.652 1.00 9.34 ? 429 GLY A C 1 ATOM 2738 O O . GLY A 1 353 ? -21.399 12.092 63.663 1.00 9.27 ? 429 GLY A O 1 ATOM 2739 N N . LYS A 1 354 ? -19.538 13.343 63.813 1.00 9.50 ? 430 LYS A N 1 ATOM 2740 C CA . LYS A 1 354 ? -20.290 14.564 64.076 1.00 10.73 ? 430 LYS A CA 1 ATOM 2741 C C . LYS A 1 354 ? -21.105 14.986 62.850 1.00 11.34 ? 430 LYS A C 1 ATOM 2742 O O . LYS A 1 354 ? -20.704 14.734 61.712 1.00 11.84 ? 430 LYS A O 1 ATOM 2743 C CB . LYS A 1 354 ? -19.356 15.693 64.522 1.00 12.28 ? 430 LYS A CB 1 ATOM 2744 C CG . LYS A 1 354 ? -18.620 15.410 65.820 1.00 14.40 ? 430 LYS A CG 1 ATOM 2745 C CD . LYS A 1 354 ? -18.059 16.688 66.416 1.00 16.51 ? 430 LYS A CD 1 ATOM 2746 C CE . LYS A 1 354 ? -17.132 16.399 67.596 1.00 17.99 ? 430 LYS A CE 1 ATOM 2747 N NZ . LYS A 1 354 ? -17.825 15.689 68.708 1.00 17.77 ? 430 LYS A NZ 1 ATOM 2748 N N . PRO A 1 355 ? -22.253 15.642 63.077 1.00 11.80 ? 431 PRO A N 1 ATOM 2749 C CA . PRO A 1 355 ? -22.766 16.044 64.389 1.00 12.89 ? 431 PRO A CA 1 ATOM 2750 C C . PRO A 1 355 ? -23.675 15.016 65.063 1.00 12.78 ? 431 PRO A C 1 ATOM 2751 O O . PRO A 1 355 ? -23.982 15.189 66.242 1.00 14.46 ? 431 PRO A O 1 ATOM 2752 C CB . PRO A 1 355 ? -23.580 17.294 64.057 1.00 12.96 ? 431 PRO A CB 1 ATOM 2753 C CG . PRO A 1 355 ? -24.117 17.015 62.690 1.00 14.46 ? 431 PRO A CG 1 ATOM 2754 C CD . PRO A 1 355 ? -23.041 16.229 61.976 1.00 13.22 ? 431 PRO A CD 1 ATOM 2755 N N . GLU A 1 356 ? -24.109 13.981 64.348 1.00 11.85 ? 432 GLU A N 1 ATOM 2756 C CA . GLU A 1 356 ? -25.109 13.069 64.912 1.00 13.50 ? 432 GLU A CA 1 ATOM 2757 C C . GLU A 1 356 ? -24.525 12.159 65.983 1.00 13.61 ? 432 GLU A C 1 ATOM 2758 O O . GLU A 1 356 ? -25.221 11.750 66.916 1.00 15.66 ? 432 GLU A O 1 ATOM 2759 C CB . GLU A 1 356 ? -25.773 12.224 63.819 1.00 14.82 ? 432 GLU A CB 1 ATOM 2760 C CG . GLU A 1 356 ? -26.588 13.022 62.817 1.00 16.36 ? 432 GLU A CG 1 ATOM 2761 C CD . GLU A 1 356 ? -27.910 13.526 63.376 1.00 19.16 ? 432 GLU A CD 1 ATOM 2762 O OE1 . GLU A 1 356 ? -28.177 13.338 64.583 1.00 19.66 ? 432 GLU A OE1 1 ATOM 2763 O OE2 . GLU A 1 356 ? -28.693 14.110 62.597 1.00 21.54 ? 432 GLU A OE2 1 ATOM 2764 N N . GLU A 1 357 ? -23.247 11.835 65.844 1.00 12.51 ? 433 GLU A N 1 ATOM 2765 C CA . GLU A 1 357 ? -22.604 10.925 66.775 1.00 11.27 ? 433 GLU A CA 1 ATOM 2766 C C . GLU A 1 357 ? -21.554 11.691 67.560 1.00 13.30 ? 433 GLU A C 1 ATOM 2767 O O . GLU A 1 357 ? -20.378 11.727 67.200 1.00 14.36 ? 433 GLU A O 1 ATOM 2768 C CB . GLU A 1 357 ? -22.030 9.724 66.021 1.00 11.93 ? 433 GLU A CB 1 ATOM 2769 C CG . GLU A 1 357 ? -23.126 8.940 65.302 1.00 13.16 ? 433 GLU A CG 1 ATOM 2770 C CD . GLU A 1 357 ? -22.594 7.851 64.401 1.00 13.82 ? 433 GLU A CD 1 ATOM 2771 O OE1 . GLU A 1 357 ? -22.150 8.176 63.280 1.00 12.68 ? 433 GLU A OE1 1 ATOM 2772 O OE2 . GLU A 1 357 ? -22.637 6.666 64.805 1.00 15.33 ? 433 GLU A OE2 1 ATOM 2773 N N . ARG A 1 358 ? -22.009 12.318 68.639 1.00 15.03 ? 434 ARG A N 1 ATOM 2774 C CA . ARG A 1 358 ? -21.206 13.308 69.350 1.00 18.75 ? 434 ARG A CA 1 ATOM 2775 C C . ARG A 1 358 ? -20.053 12.735 70.158 1.00 16.89 ? 434 ARG A C 1 ATOM 2776 O O . ARG A 1 358 ? -19.165 13.478 70.569 1.00 18.98 ? 434 ARG A O 1 ATOM 2777 C CB . ARG A 1 358 ? -22.095 14.175 70.242 1.00 25.57 ? 434 ARG A CB 1 ATOM 2778 C CG . ARG A 1 358 ? -22.704 15.362 69.519 1.00 32.58 ? 434 ARG A CG 1 ATOM 2779 C CD . ARG A 1 358 ? -23.931 15.856 70.248 1.00 38.17 ? 434 ARG A CD 1 ATOM 2780 N NE . ARG A 1 358 ? -24.968 14.832 70.255 1.00 42.95 ? 434 ARG A NE 1 ATOM 2781 C CZ . ARG A 1 358 ? -26.042 14.856 71.035 1.00 46.10 ? 434 ARG A CZ 1 ATOM 2782 N NH1 . ARG A 1 358 ? -26.224 15.855 71.888 1.00 47.51 ? 434 ARG A NH1 1 ATOM 2783 N NH2 . ARG A 1 358 ? -26.931 13.875 70.965 1.00 46.91 ? 434 ARG A NH2 1 ATOM 2784 N N . THR A 1 359 ? -20.057 11.425 70.389 1.00 14.24 ? 435 THR A N 1 ATOM 2785 C CA . THR A 1 359 ? -18.960 10.804 71.128 1.00 15.97 ? 435 THR A CA 1 ATOM 2786 C C . THR A 1 359 ? -17.736 10.545 70.245 1.00 15.83 ? 435 THR A C 1 ATOM 2787 O O . THR A 1 359 ? -16.718 10.035 70.717 1.00 17.90 ? 435 THR A O 1 ATOM 2788 C CB . THR A 1 359 ? -19.392 9.501 71.820 1.00 17.53 ? 435 THR A CB 1 ATOM 2789 O OG1 . THR A 1 359 ? -20.006 8.630 70.862 1.00 19.08 ? 435 THR A OG1 1 ATOM 2790 C CG2 . THR A 1 359 ? -20.388 9.797 72.942 1.00 18.49 ? 435 THR A CG2 1 ATOM 2791 N N . SER A 1 360 ? -17.832 10.899 68.967 1.00 13.41 ? 436 SER A N 1 ATOM 2792 C CA . SER A 1 360 ? -16.668 10.837 68.087 1.00 12.55 ? 436 SER A CA 1 ATOM 2793 C C . SER A 1 360 ? -16.113 12.233 67.830 1.00 11.42 ? 436 SER A C 1 ATOM 2794 O O . SER A 1 360 ? -16.865 13.207 67.755 1.00 13.79 ? 436 SER A O 1 ATOM 2795 C CB . SER A 1 360 ? -17.001 10.135 66.766 1.00 13.56 ? 436 SER A CB 1 ATOM 2796 O OG . SER A 1 360 ? -17.051 8.724 66.937 1.00 13.87 ? 436 SER A OG 1 ATOM 2797 N N . ILE A 1 361 ? -14.794 12.327 67.698 1.00 10.62 ? 437 ILE A N 1 ATOM 2798 C CA . ILE A 1 361 ? -14.146 13.619 67.508 1.00 10.42 ? 437 ILE A CA 1 ATOM 2799 C C . ILE A 1 361 ? -14.085 14.018 66.039 1.00 10.27 ? 437 ILE A C 1 ATOM 2800 O O . ILE A 1 361 ? -13.723 15.150 65.718 1.00 11.14 ? 437 ILE A O 1 ATOM 2801 C CB . ILE A 1 361 ? -12.714 13.637 68.101 1.00 12.36 ? 437 ILE A CB 1 ATOM 2802 C CG1 . ILE A 1 361 ? -11.785 12.695 67.327 1.00 12.61 ? 437 ILE A CG1 1 ATOM 2803 C CG2 . ILE A 1 361 ? -12.748 13.272 69.586 1.00 13.89 ? 437 ILE A CG2 1 ATOM 2804 C CD1 . ILE A 1 361 ? -10.312 12.794 67.744 1.00 13.48 ? 437 ILE A CD1 1 ATOM 2805 N N . TRP A 1 362 ? -14.466 13.090 65.164 1.00 8.73 ? 438 TRP A N 1 ATOM 2806 C CA . TRP A 1 362 ? -14.271 13.221 63.726 1.00 8.87 ? 438 TRP A CA 1 ATOM 2807 C C . TRP A 1 362 ? -15.569 13.077 62.942 1.00 8.64 ? 438 TRP A C 1 ATOM 2808 O O . TRP A 1 362 ? -16.608 12.710 63.492 1.00 9.15 ? 438 TRP A O 1 ATOM 2809 C CB . TRP A 1 362 ? -13.297 12.142 63.250 1.00 8.61 ? 438 TRP A CB 1 ATOM 2810 C CG . TRP A 1 362 ? -13.683 10.762 63.713 1.00 8.15 ? 438 TRP A CG 1 ATOM 2811 C CD1 . TRP A 1 362 ? -13.379 10.188 64.915 1.00 9.48 ? 438 TRP A CD1 1 ATOM 2812 C CD2 . TRP A 1 362 ? -14.453 9.793 62.990 1.00 7.95 ? 438 TRP A CD2 1 ATOM 2813 N NE1 . TRP A 1 362 ? -13.905 8.921 64.983 1.00 9.59 ? 438 TRP A NE1 1 ATOM 2814 C CE2 . TRP A 1 362 ? -14.571 8.653 63.815 1.00 9.13 ? 438 TRP A CE2 1 ATOM 2815 C CE3 . TRP A 1 362 ? -15.053 9.775 61.725 1.00 8.61 ? 438 TRP A CE3 1 ATOM 2816 C CZ2 . TRP A 1 362 ? -15.262 7.508 63.418 1.00 9.53 ? 438 TRP A CZ2 1 ATOM 2817 C CZ3 . TRP A 1 362 ? -15.742 8.633 61.330 1.00 9.23 ? 438 TRP A CZ3 1 ATOM 2818 C CH2 . TRP A 1 362 ? -15.836 7.516 62.173 1.00 9.21 ? 438 TRP A CH2 1 ATOM 2819 N N . THR A 1 363 ? -15.488 13.361 61.644 1.00 7.83 ? 439 THR A N 1 ATOM 2820 C CA . THR A 1 363 ? -16.584 13.138 60.711 1.00 7.96 ? 439 THR A CA 1 ATOM 2821 C C . THR A 1 363 ? -15.985 12.563 59.442 1.00 7.68 ? 439 THR A C 1 ATOM 2822 O O . THR A 1 363 ? -15.034 13.122 58.905 1.00 6.80 ? 439 THR A O 1 ATOM 2823 C CB . THR A 1 363 ? -17.308 14.460 60.340 1.00 8.43 ? 439 THR A CB 1 ATOM 2824 O OG1 . THR A 1 363 ? -17.905 15.039 61.510 1.00 9.18 ? 439 THR A OG1 1 ATOM 2825 C CG2 . THR A 1 363 ? -18.401 14.210 59.289 1.00 9.81 ? 439 THR A CG2 1 ATOM 2826 N N . SER A 1 364 ? -16.532 11.450 58.962 1.00 7.92 ? 440 SER A N 1 ATOM 2827 C CA . SER A 1 364 ? -16.151 10.933 57.651 1.00 7.20 ? 440 SER A CA 1 ATOM 2828 C C . SER A 1 364 ? -17.373 10.323 56.999 1.00 7.47 ? 440 SER A C 1 ATOM 2829 O O . SER A 1 364 ? -18.466 10.386 57.548 1.00 8.70 ? 440 SER A O 1 ATOM 2830 C CB . SER A 1 364 ? -15.030 9.899 57.756 1.00 8.30 ? 440 SER A CB 1 ATOM 2831 O OG . SER A 1 364 ? -14.430 9.693 56.481 1.00 7.47 ? 440 SER A OG 1 ATOM 2832 N N . SER A 1 365 ? -17.198 9.739 55.821 1.00 6.75 ? 441 SER A N 1 ATOM 2833 C CA . SER A 1 365 ? -18.307 9.053 55.179 1.00 7.69 ? 441 SER A CA 1 ATOM 2834 C C . SER A 1 365 ? -17.815 7.891 54.335 1.00 8.56 ? 441 SER A C 1 ATOM 2835 O O . SER A 1 365 ? -16.636 7.822 53.983 1.00 8.83 ? 441 SER A O 1 ATOM 2836 C CB . SER A 1 365 ? -19.146 10.023 54.338 1.00 7.76 ? 441 SER A CB 1 ATOM 2837 O OG . SER A 1 365 ? -18.395 10.612 53.285 1.00 7.91 ? 441 SER A OG 1 ATOM 2838 N N . SER A 1 366 ? -18.725 6.971 54.032 1.00 8.27 ? 442 SER A N 1 ATOM 2839 C CA . SER A 1 366 ? -18.450 5.910 53.070 1.00 7.76 ? 442 SER A CA 1 ATOM 2840 C C . SER A 1 366 ? -19.573 5.947 52.052 1.00 8.22 ? 442 SER A C 1 ATOM 2841 O O . SER A 1 366 ? -20.474 6.770 52.162 1.00 10.68 ? 442 SER A O 1 ATOM 2842 C CB . SER A 1 366 ? -18.360 4.533 53.743 1.00 8.92 ? 442 SER A CB 1 ATOM 2843 O OG . SER A 1 366 ? -19.643 4.015 54.058 1.00 10.53 ? 442 SER A OG 1 ATOM 2844 N N . SER A 1 367 ? -19.529 5.077 51.053 1.00 7.78 ? 443 SER A N 1 ATOM 2845 C CA . SER A 1 367 ? -20.502 5.191 49.977 1.00 9.55 ? 443 SER A CA 1 ATOM 2846 C C . SER A 1 367 ? -21.052 3.860 49.488 1.00 10.48 ? 443 SER A C 1 ATOM 2847 O O . SER A 1 367 ? -20.442 2.800 49.653 1.00 11.59 ? 443 SER A O 1 ATOM 2848 C CB . SER A 1 367 ? -19.909 5.955 48.784 1.00 10.81 ? 443 SER A CB 1 ATOM 2849 O OG . SER A 1 367 ? -18.915 5.176 48.125 1.00 13.85 ? 443 SER A OG 1 ATOM 2850 N N . THR A 1 368 ? -22.230 3.942 48.887 1.00 8.31 ? 444 THR A N 1 ATOM 2851 C CA . THR A 1 368 ? -22.754 2.876 48.049 1.00 8.04 ? 444 THR A CA 1 ATOM 2852 C C . THR A 1 368 ? -23.115 3.495 46.709 1.00 7.42 ? 444 THR A C 1 ATOM 2853 O O . THR A 1 368 ? -23.370 4.702 46.615 1.00 8.80 ? 444 THR A O 1 ATOM 2854 C CB . THR A 1 368 ? -23.985 2.192 48.663 1.00 8.36 ? 444 THR A CB 1 ATOM 2855 O OG1 . THR A 1 368 ? -24.881 3.186 49.175 1.00 9.60 ? 444 THR A OG1 1 ATOM 2856 C CG2 . THR A 1 368 ? -23.566 1.250 49.790 1.00 7.69 ? 444 THR A CG2 1 ATOM 2857 N N . VAL A 1 369 ? -23.114 2.671 45.669 1.00 7.06 ? 445 VAL A N 1 ATOM 2858 C CA . VAL A 1 369 ? -23.360 3.149 44.316 1.00 7.14 ? 445 VAL A CA 1 ATOM 2859 C C . VAL A 1 369 ? -24.348 2.206 43.639 1.00 7.70 ? 445 VAL A C 1 ATOM 2860 O O . VAL A 1 369 ? -24.267 0.992 43.823 1.00 8.40 ? 445 VAL A O 1 ATOM 2861 C CB . VAL A 1 369 ? -22.047 3.203 43.508 1.00 9.16 ? 445 VAL A CB 1 ATOM 2862 C CG1 . VAL A 1 369 ? -22.290 3.795 42.124 1.00 10.20 ? 445 VAL A CG1 1 ATOM 2863 C CG2 . VAL A 1 369 ? -20.990 4.003 44.268 1.00 10.38 ? 445 VAL A CG2 1 ATOM 2864 N N . PHE A 1 370 ? -25.285 2.769 42.875 1.00 6.84 ? 446 PHE A N 1 ATOM 2865 C CA . PHE A 1 370 ? -26.366 2.001 42.259 1.00 7.06 ? 446 PHE A CA 1 ATOM 2866 C C . PHE A 1 370 ? -26.559 2.435 40.815 1.00 8.97 ? 446 PHE A C 1 ATOM 2867 O O . PHE A 1 370 ? -26.434 3.617 40.501 1.00 9.60 ? 446 PHE A O 1 ATOM 2868 C CB . PHE A 1 370 ? -27.677 2.249 43.012 1.00 7.57 ? 446 PHE A CB 1 ATOM 2869 C CG . PHE A 1 370 ? -27.621 1.874 44.464 1.00 9.29 ? 446 PHE A CG 1 ATOM 2870 C CD1 . PHE A 1 370 ? -27.076 2.748 45.397 1.00 8.44 ? 446 PHE A CD1 1 ATOM 2871 C CD2 . PHE A 1 370 ? -28.115 0.652 44.899 1.00 11.19 ? 446 PHE A CD2 1 ATOM 2872 C CE1 . PHE A 1 370 ? -27.009 2.403 46.741 1.00 9.82 ? 446 PHE A CE1 1 ATOM 2873 C CE2 . PHE A 1 370 ? -28.060 0.299 46.248 1.00 10.87 ? 446 PHE A CE2 1 ATOM 2874 C CZ . PHE A 1 370 ? -27.503 1.178 47.167 1.00 10.40 ? 446 PHE A CZ 1 ATOM 2875 N N . CYS A 1 371 ? -26.883 1.493 39.934 1.00 8.75 ? 447 CYS A N 1 ATOM 2876 C CA . CYS A 1 371 ? -27.149 1.847 38.544 1.00 10.13 ? 447 CYS A CA 1 ATOM 2877 C C . CYS A 1 371 ? -28.507 1.354 38.060 1.00 10.56 ? 447 CYS A C 1 ATOM 2878 O O . CYS A 1 371 ? -28.982 0.287 38.461 1.00 11.20 ? 447 CYS A O 1 ATOM 2879 C CB . CYS A 1 371 ? -26.038 1.346 37.626 1.00 12.38 ? 447 CYS A CB 1 ATOM 2880 S SG . CYS A 1 371 ? -24.534 2.343 37.713 1.00 13.71 ? 447 CYS A SG 1 ATOM 2881 N N . GLY A 1 372 ? -29.129 2.143 37.190 1.00 10.76 ? 448 GLY A N 1 ATOM 2882 C CA . GLY A 1 372 ? -30.434 1.806 36.658 1.00 10.48 ? 448 GLY A CA 1 ATOM 2883 C C . GLY A 1 372 ? -30.396 0.616 35.723 1.00 11.77 ? 448 GLY A C 1 ATOM 2884 O O . GLY A 1 372 ? -29.476 0.478 34.918 1.00 14.17 ? 448 GLY A O 1 ATOM 2885 N N . VAL A 1 373 ? -31.411 -0.237 35.834 1.00 12.02 ? 449 VAL A N 1 ATOM 2886 C CA . VAL A 1 373 ? -31.555 -1.405 34.972 1.00 12.97 ? 449 VAL A CA 1 ATOM 2887 C C . VAL A 1 373 ? -32.994 -1.482 34.459 1.00 14.50 ? 449 VAL A C 1 ATOM 2888 O O . VAL A 1 373 ? -33.870 -0.783 34.960 1.00 13.76 ? 449 VAL A O 1 ATOM 2889 C CB . VAL A 1 373 ? -31.180 -2.703 35.709 1.00 14.89 ? 449 VAL A CB 1 ATOM 2890 C CG1 . VAL A 1 373 ? -29.683 -2.719 36.022 1.00 16.84 ? 449 VAL A CG1 1 ATOM 2891 C CG2 . VAL A 1 373 ? -32.005 -2.844 36.974 1.00 13.84 ? 449 VAL A CG2 1 ATOM 2892 N N A SER A 1 374 ? -33.237 -2.329 33.465 0.40 15.48 ? 450 SER A N 1 ATOM 2893 N N B SER A 1 374 ? -33.224 -2.352 33.478 0.60 15.56 ? 450 SER A N 1 ATOM 2894 C CA A SER A 1 374 ? -34.527 -2.334 32.780 0.40 17.68 ? 450 SER A CA 1 ATOM 2895 C CA B SER A 1 374 ? -34.493 -2.398 32.753 0.60 18.46 ? 450 SER A CA 1 ATOM 2896 C C A SER A 1 374 ? -35.641 -3.029 33.558 0.40 19.62 ? 450 SER A C 1 ATOM 2897 C C B SER A 1 374 ? -35.586 -3.187 33.467 0.60 20.48 ? 450 SER A C 1 ATOM 2898 O O A SER A 1 374 ? -36.806 -2.979 33.161 0.40 21.89 ? 450 SER A O 1 ATOM 2899 O O B SER A 1 374 ? -36.684 -3.362 32.934 0.60 23.56 ? 450 SER A O 1 ATOM 2900 C CB A SER A 1 374 ? -34.391 -2.958 31.390 0.40 18.99 ? 450 SER A CB 1 ATOM 2901 C CB B SER A 1 374 ? -34.279 -2.977 31.353 0.60 20.75 ? 450 SER A CB 1 ATOM 2902 O OG A SER A 1 374 ? -33.528 -2.184 30.577 0.40 19.83 ? 450 SER A OG 1 ATOM 2903 O OG B SER A 1 374 ? -33.741 -4.286 31.423 0.60 22.53 ? 450 SER A OG 1 ATOM 2904 N N . SER A 1 375 ? -35.285 -3.669 34.665 1.00 19.85 ? 451 SER A N 1 ATOM 2905 C CA . SER A 1 375 ? -36.255 -4.421 35.445 1.00 21.23 ? 451 SER A CA 1 ATOM 2906 C C . SER A 1 375 ? -36.298 -3.953 36.896 1.00 18.41 ? 451 SER A C 1 ATOM 2907 O O . SER A 1 375 ? -35.395 -3.264 37.365 1.00 17.81 ? 451 SER A O 1 ATOM 2908 C CB . SER A 1 375 ? -35.938 -5.916 35.377 1.00 25.26 ? 451 SER A CB 1 ATOM 2909 O OG . SER A 1 375 ? -34.574 -6.155 35.678 1.00 28.90 ? 451 SER A OG 1 ATOM 2910 N N . GLU A 1 376 ? -37.361 -4.320 37.600 1.00 16.89 ? 452 GLU A N 1 ATOM 2911 C CA . GLU A 1 376 ? -37.470 -3.986 39.013 1.00 17.53 ? 452 GLU A CA 1 ATOM 2912 C C . GLU A 1 376 ? -36.443 -4.759 39.825 1.00 17.00 ? 452 GLU A C 1 ATOM 2913 O O . GLU A 1 376 ? -36.167 -5.926 39.548 1.00 18.36 ? 452 GLU A O 1 ATOM 2914 C CB . GLU A 1 376 ? -38.882 -4.254 39.536 1.00 21.45 ? 452 GLU A CB 1 ATOM 2915 C CG . GLU A 1 376 ? -39.932 -3.332 38.928 1.00 26.38 ? 452 GLU A CG 1 ATOM 2916 C CD . GLU A 1 376 ? -41.230 -3.315 39.712 1.00 32.29 ? 452 GLU A CD 1 ATOM 2917 O OE1 . GLU A 1 376 ? -42.205 -2.700 39.230 1.00 35.72 ? 452 GLU A OE1 1 ATOM 2918 O OE2 . GLU A 1 376 ? -41.278 -3.911 40.809 1.00 34.43 ? 452 GLU A OE2 1 ATOM 2919 N N . VAL A 1 377 ? -35.880 -4.092 40.827 1.00 14.81 ? 453 VAL A N 1 ATOM 2920 C CA . VAL A 1 377 ? -34.846 -4.675 41.664 1.00 14.48 ? 453 VAL A CA 1 ATOM 2921 C C . VAL A 1 377 ? -35.218 -4.438 43.122 1.00 14.27 ? 453 VAL A C 1 ATOM 2922 O O . VAL A 1 377 ? -35.614 -3.335 43.486 1.00 15.04 ? 453 VAL A O 1 ATOM 2923 C CB . VAL A 1 377 ? -33.481 -4.014 41.381 1.00 16.16 ? 453 VAL A CB 1 ATOM 2924 C CG1 . VAL A 1 377 ? -32.391 -4.685 42.176 1.00 15.91 ? 453 VAL A CG1 1 ATOM 2925 C CG2 . VAL A 1 377 ? -33.163 -4.059 39.892 1.00 17.55 ? 453 VAL A CG2 1 ATOM 2926 N N . PRO A 1 378 ? -35.104 -5.477 43.962 1.00 13.01 ? 454 PRO A N 1 ATOM 2927 C CA . PRO A 1 378 ? -35.440 -5.329 45.381 1.00 12.88 ? 454 PRO A CA 1 ATOM 2928 C C . PRO A 1 378 ? -34.481 -4.367 46.071 1.00 11.88 ? 454 PRO A C 1 ATOM 2929 O O . PRO A 1 378 ? -33.348 -4.182 45.620 1.00 12.13 ? 454 PRO A O 1 ATOM 2930 C CB . PRO A 1 378 ? -35.222 -6.740 45.948 1.00 14.72 ? 454 PRO A CB 1 ATOM 2931 C CG . PRO A 1 378 ? -35.128 -7.642 44.775 1.00 16.80 ? 454 PRO A CG 1 ATOM 2932 C CD . PRO A 1 378 ? -34.609 -6.826 43.646 1.00 14.95 ? 454 PRO A CD 1 ATOM 2933 N N . GLY A 1 379 ? -34.934 -3.763 47.163 1.00 11.82 ? 455 GLY A N 1 ATOM 2934 C CA . GLY A 1 379 ? -34.063 -2.959 47.994 1.00 13.01 ? 455 GLY A CA 1 ATOM 2935 C C . GLY A 1 379 ? -33.462 -3.795 49.108 1.00 13.62 ? 455 GLY A C 1 ATOM 2936 O O . GLY A 1 379 ? -33.706 -5.002 49.204 1.00 14.15 ? 455 GLY A O 1 ATOM 2937 N N . TRP A 1 380 ? -32.659 -3.143 49.941 1.00 12.60 ? 456 TRP A N 1 ATOM 2938 C CA . TRP A 1 380 ? -32.133 -3.730 51.162 1.00 13.27 ? 456 TRP A CA 1 ATOM 2939 C C . TRP A 1 380 ? -31.610 -2.562 51.979 1.00 12.17 ? 456 TRP A C 1 ATOM 2940 O O . TRP A 1 380 ? -31.983 -1.416 51.736 1.00 13.62 ? 456 TRP A O 1 ATOM 2941 C CB . TRP A 1 380 ? -31.015 -4.736 50.862 1.00 11.27 ? 456 TRP A CB 1 ATOM 2942 C CG . TRP A 1 380 ? -30.770 -5.736 51.972 1.00 10.89 ? 456 TRP A CG 1 ATOM 2943 C CD1 . TRP A 1 380 ? -31.667 -6.146 52.921 1.00 10.74 ? 456 TRP A CD1 1 ATOM 2944 C CD2 . TRP A 1 380 ? -29.557 -6.461 52.231 1.00 9.87 ? 456 TRP A CD2 1 ATOM 2945 N NE1 . TRP A 1 380 ? -31.084 -7.067 53.759 1.00 10.56 ? 456 TRP A NE1 1 ATOM 2946 C CE2 . TRP A 1 380 ? -29.791 -7.280 53.355 1.00 10.54 ? 456 TRP A CE2 1 ATOM 2947 C CE3 . TRP A 1 380 ? -28.298 -6.495 51.622 1.00 10.99 ? 456 TRP A CE3 1 ATOM 2948 C CZ2 . TRP A 1 380 ? -28.813 -8.128 53.878 1.00 11.53 ? 456 TRP A CZ2 1 ATOM 2949 C CZ3 . TRP A 1 380 ? -27.328 -7.333 52.144 1.00 10.63 ? 456 TRP A CZ3 1 ATOM 2950 C CH2 . TRP A 1 380 ? -27.591 -8.140 53.260 1.00 10.61 ? 456 TRP A CH2 1 ATOM 2951 N N . SER A 1 381 ? -30.759 -2.835 52.954 1.00 10.39 ? 457 SER A N 1 ATOM 2952 C CA . SER A 1 381 ? -30.123 -1.755 53.683 1.00 10.44 ? 457 SER A CA 1 ATOM 2953 C C . SER A 1 381 ? -28.629 -2.010 53.736 1.00 9.79 ? 457 SER A C 1 ATOM 2954 O O . SER A 1 381 ? -28.158 -2.824 54.528 1.00 11.13 ? 457 SER A O 1 ATOM 2955 C CB . SER A 1 381 ? -30.701 -1.634 55.091 1.00 10.28 ? 457 SER A CB 1 ATOM 2956 O OG . SER A 1 381 ? -30.170 -0.505 55.764 1.00 11.84 ? 457 SER A OG 1 ATOM 2957 N N . TRP A 1 382 ? -27.891 -1.331 52.867 1.00 9.19 ? 458 TRP A N 1 ATOM 2958 C CA . TRP A 1 382 ? -26.440 -1.450 52.846 1.00 7.92 ? 458 TRP A CA 1 ATOM 2959 C C . TRP A 1 382 ? -25.848 -0.266 53.598 1.00 9.03 ? 458 TRP A C 1 ATOM 2960 O O . TRP A 1 382 ? -25.459 0.735 52.992 1.00 9.20 ? 458 TRP A O 1 ATOM 2961 C CB . TRP A 1 382 ? -25.907 -1.465 51.410 1.00 7.79 ? 458 TRP A CB 1 ATOM 2962 C CG . TRP A 1 382 ? -26.256 -2.686 50.585 1.00 7.99 ? 458 TRP A CG 1 ATOM 2963 C CD1 . TRP A 1 382 ? -25.534 -3.844 50.486 1.00 9.11 ? 458 TRP A CD1 1 ATOM 2964 C CD2 . TRP A 1 382 ? -27.382 -2.841 49.709 1.00 9.28 ? 458 TRP A CD2 1 ATOM 2965 N NE1 . TRP A 1 382 ? -26.149 -4.715 49.614 1.00 8.94 ? 458 TRP A NE1 1 ATOM 2966 C CE2 . TRP A 1 382 ? -27.284 -4.122 49.123 1.00 9.60 ? 458 TRP A CE2 1 ATOM 2967 C CE3 . TRP A 1 382 ? -28.464 -2.022 49.363 1.00 9.80 ? 458 TRP A CE3 1 ATOM 2968 C CZ2 . TRP A 1 382 ? -28.228 -4.603 48.215 1.00 10.39 ? 458 TRP A CZ2 1 ATOM 2969 C CZ3 . TRP A 1 382 ? -29.397 -2.501 48.458 1.00 9.34 ? 458 TRP A CZ3 1 ATOM 2970 C CH2 . TRP A 1 382 ? -29.271 -3.778 47.894 1.00 10.90 ? 458 TRP A CH2 1 ATOM 2971 N N . ASP A 1 383 ? -25.791 -0.382 54.918 1.00 8.23 ? 459 ASP A N 1 ATOM 2972 C CA . ASP A 1 383 ? -25.336 0.718 55.759 1.00 7.54 ? 459 ASP A CA 1 ATOM 2973 C C . ASP A 1 383 ? -23.814 0.796 55.841 1.00 8.09 ? 459 ASP A C 1 ATOM 2974 O O . ASP A 1 383 ? -23.107 -0.148 55.483 1.00 8.77 ? 459 ASP A O 1 ATOM 2975 C CB . ASP A 1 383 ? -25.917 0.578 57.162 1.00 10.12 ? 459 ASP A CB 1 ATOM 2976 C CG . ASP A 1 383 ? -25.516 -0.727 57.825 1.00 12.83 ? 459 ASP A CG 1 ATOM 2977 O OD1 . ASP A 1 383 ? -24.799 -0.682 58.846 1.00 14.67 ? 459 ASP A OD1 1 ATOM 2978 O OD2 . ASP A 1 383 ? -25.910 -1.798 57.322 1.00 13.70 ? 459 ASP A OD2 1 ATOM 2979 N N . ASP A 1 384 ? -23.314 1.927 56.327 1.00 7.98 ? 460 ASP A N 1 ATOM 2980 C CA . ASP A 1 384 ? -21.872 2.119 56.459 1.00 7.83 ? 460 ASP A CA 1 ATOM 2981 C C . ASP A 1 384 ? -21.226 0.942 57.179 1.00 8.74 ? 460 ASP A C 1 ATOM 2982 O O . ASP A 1 384 ? -20.248 0.365 56.697 1.00 9.06 ? 460 ASP A O 1 ATOM 2983 C CB . ASP A 1 384 ? -21.569 3.406 57.213 1.00 8.97 ? 460 ASP A CB 1 ATOM 2984 C CG . ASP A 1 384 ? -20.119 3.511 57.590 1.00 9.65 ? 460 ASP A CG 1 ATOM 2985 O OD1 . ASP A 1 384 ? -19.292 3.793 56.694 1.00 11.19 ? 460 ASP A OD1 1 ATOM 2986 O OD2 . ASP A 1 384 ? -19.806 3.284 58.776 1.00 10.28 ? 460 ASP A OD2 1 ATOM 2987 N N . GLY A 1 385 ? -21.759 0.608 58.350 1.00 8.81 ? 461 GLY A N 1 ATOM 2988 C CA . GLY A 1 385 ? -21.364 -0.604 59.043 1.00 9.80 ? 461 GLY A CA 1 ATOM 2989 C C . GLY A 1 385 ? -20.250 -0.470 60.064 1.00 10.13 ? 461 GLY A C 1 ATOM 2990 O O . GLY A 1 385 ? -19.910 -1.449 60.731 1.00 11.19 ? 461 GLY A O 1 ATOM 2991 N N . ALA A 1 386 ? -19.674 0.724 60.195 1.00 8.99 ? 462 ALA A N 1 ATOM 2992 C CA . ALA A 1 386 ? -18.619 0.928 61.182 1.00 8.62 ? 462 ALA A CA 1 ATOM 2993 C C . ALA A 1 386 ? -19.176 0.938 62.606 1.00 9.03 ? 462 ALA A C 1 ATOM 2994 O O . ALA A 1 386 ? -20.299 1.384 62.848 1.00 9.69 ? 462 ALA A O 1 ATOM 2995 C CB . ALA A 1 386 ? -17.843 2.209 60.897 1.00 10.56 ? 462 ALA A CB 1 ATOM 2996 N N . ILE A 1 387 ? -18.378 0.432 63.541 1.00 8.21 ? 463 ILE A N 1 ATOM 2997 C CA . ILE A 1 387 ? -18.742 0.389 64.945 1.00 10.49 ? 463 ILE A CA 1 ATOM 2998 C C . ILE A 1 387 ? -18.044 1.526 65.680 1.00 10.21 ? 463 ILE A C 1 ATOM 2999 O O . ILE A 1 387 ? -16.828 1.503 65.873 1.00 10.63 ? 463 ILE A O 1 ATOM 3000 C CB . ILE A 1 387 ? -18.353 -0.961 65.573 1.00 12.62 ? 463 ILE A CB 1 ATOM 3001 C CG1 . ILE A 1 387 ? -19.047 -2.104 64.829 1.00 15.10 ? 463 ILE A CG1 1 ATOM 3002 C CG2 . ILE A 1 387 ? -18.699 -0.990 67.060 1.00 13.44 ? 463 ILE A CG2 1 ATOM 3003 C CD1 . ILE A 1 387 ? -18.506 -3.475 65.176 1.00 17.28 ? 463 ILE A CD1 1 ATOM 3004 N N . LEU A 1 388 ? -18.824 2.532 66.065 1.00 10.70 ? 464 LEU A N 1 ATOM 3005 C CA . LEU A 1 388 ? -18.303 3.692 66.777 1.00 10.66 ? 464 LEU A CA 1 ATOM 3006 C C . LEU A 1 388 ? -18.640 3.589 68.261 1.00 11.94 ? 464 LEU A C 1 ATOM 3007 O O . LEU A 1 388 ? -19.585 2.888 68.636 1.00 13.61 ? 464 LEU A O 1 ATOM 3008 C CB . LEU A 1 388 ? -18.876 4.986 66.188 1.00 10.26 ? 464 LEU A CB 1 ATOM 3009 C CG . LEU A 1 388 ? -18.160 5.601 64.980 1.00 9.22 ? 464 LEU A CG 1 ATOM 3010 C CD1 . LEU A 1 388 ? -18.001 4.607 63.826 1.00 8.87 ? 464 LEU A CD1 1 ATOM 3011 C CD2 . LEU A 1 388 ? -18.898 6.848 64.511 1.00 11.10 ? 464 LEU A CD2 1 ATOM 3012 N N . PRO A 1 389 ? -17.874 4.290 69.116 1.00 12.26 ? 465 PRO A N 1 ATOM 3013 C CA . PRO A 1 389 ? -16.729 5.148 68.782 1.00 12.03 ? 465 PRO A CA 1 ATOM 3014 C C . PRO A 1 389 ? -15.513 4.347 68.342 1.00 11.39 ? 465 PRO A C 1 ATOM 3015 O O . PRO A 1 389 ? -15.472 3.133 68.548 1.00 12.14 ? 465 PRO A O 1 ATOM 3016 C CB . PRO A 1 389 ? -16.408 5.845 70.114 1.00 13.67 ? 465 PRO A CB 1 ATOM 3017 C CG . PRO A 1 389 ? -17.602 5.622 70.983 1.00 15.95 ? 465 PRO A CG 1 ATOM 3018 C CD . PRO A 1 389 ? -18.171 4.316 70.558 1.00 13.32 ? 465 PRO A CD 1 ATOM 3019 N N . PHE A 1 390 ? -14.538 5.030 67.751 1.00 10.87 ? 466 PHE A N 1 ATOM 3020 C CA . PHE A 1 390 ? -13.278 4.409 67.344 1.00 10.35 ? 466 PHE A CA 1 ATOM 3021 C C . PHE A 1 390 ? -12.216 4.589 68.429 1.00 11.66 ? 466 PHE A C 1 ATOM 3022 O O . PHE A 1 390 ? -12.427 5.327 69.400 1.00 11.50 ? 466 PHE A O 1 ATOM 3023 C CB . PHE A 1 390 ? -12.775 5.037 66.039 1.00 10.98 ? 466 PHE A CB 1 ATOM 3024 C CG . PHE A 1 390 ? -13.220 4.315 64.791 1.00 10.85 ? 466 PHE A CG 1 ATOM 3025 C CD1 . PHE A 1 390 ? -14.275 3.418 64.822 1.00 11.22 ? 466 PHE A CD1 1 ATOM 3026 C CD2 . PHE A 1 390 ? -12.584 4.554 63.581 1.00 10.35 ? 466 PHE A CD2 1 ATOM 3027 C CE1 . PHE A 1 390 ? -14.677 2.757 63.670 1.00 10.82 ? 466 PHE A CE1 1 ATOM 3028 C CE2 . PHE A 1 390 ? -12.984 3.902 62.427 1.00 11.02 ? 466 PHE A CE2 1 ATOM 3029 C CZ . PHE A 1 390 ? -14.031 3.003 62.472 1.00 11.01 ? 466 PHE A CZ 1 ATOM 3030 N N . ASP A 1 391 ? -11.074 3.925 68.250 1.00 12.54 ? 467 ASP A N 1 ATOM 3031 C CA . ASP A 1 391 ? -9.964 4.009 69.201 1.00 13.37 ? 467 ASP A CA 1 ATOM 3032 C C . ASP A 1 391 ? -9.612 5.462 69.545 1.00 12.98 ? 467 ASP A C 1 ATOM 3033 O O . ASP A 1 391 ? -9.419 5.805 70.710 1.00 13.38 ? 467 ASP A O 1 ATOM 3034 C CB . ASP A 1 391 ? -8.711 3.315 68.643 1.00 16.16 ? 467 ASP A CB 1 ATOM 3035 C CG . ASP A 1 391 ? -8.911 1.825 68.394 1.00 19.74 ? 467 ASP A CG 1 ATOM 3036 O OD1 . ASP A 1 391 ? -9.883 1.241 68.913 1.00 21.75 ? 467 ASP A OD1 1 ATOM 3037 O OD2 . ASP A 1 391 ? -8.073 1.232 67.677 1.00 20.95 ? 467 ASP A OD2 1 ATOM 3038 N N . ILE A 1 392 ? -9.518 6.306 68.523 1.00 11.48 ? 468 ILE A N 1 ATOM 3039 C CA . ILE A 1 392 ? -9.061 7.684 68.691 1.00 10.10 ? 468 ILE A CA 1 ATOM 3040 C C . ILE A 1 392 ? -10.042 8.504 69.534 1.00 10.93 ? 468 ILE A C 1 ATOM 3041 O O . ILE A 1 392 ? -9.686 9.548 70.085 1.00 12.47 ? 468 ILE A O 1 ATOM 3042 C CB . ILE A 1 392 ? -8.850 8.366 67.310 1.00 10.61 ? 468 ILE A CB 1 ATOM 3043 C CG1 . ILE A 1 392 ? -7.970 9.615 67.425 1.00 11.38 ? 468 ILE A CG1 1 ATOM 3044 C CG2 . ILE A 1 392 ? -10.185 8.702 66.662 1.00 11.80 ? 468 ILE A CG2 1 ATOM 3045 C CD1 . ILE A 1 392 ? -6.576 9.345 67.921 1.00 11.48 ? 468 ILE A CD1 1 ATOM 3046 N N . ASP A 1 393 ? -11.276 8.018 69.642 1.00 11.14 ? 469 ASP A N 1 ATOM 3047 C CA . ASP A 1 393 ? -12.323 8.739 70.363 1.00 12.55 ? 469 ASP A CA 1 ATOM 3048 C C . ASP A 1 393 ? -12.227 8.509 71.864 1.00 15.83 ? 469 ASP A C 1 ATOM 3049 O O . ASP A 1 393 ? -12.908 9.172 72.647 1.00 16.89 ? 469 ASP A O 1 ATOM 3050 C CB . ASP A 1 393 ? -13.705 8.313 69.866 1.00 12.23 ? 469 ASP A CB 1 ATOM 3051 C CG . ASP A 1 393 ? -13.939 8.679 68.417 1.00 12.38 ? 469 ASP A CG 1 ATOM 3052 O OD1 . ASP A 1 393 ? -14.500 7.848 67.671 1.00 12.44 ? 469 ASP A OD1 1 ATOM 3053 O OD2 . ASP A 1 393 ? -13.559 9.800 68.025 1.00 12.09 ? 469 ASP A OD2 1 ATOM 3054 N N . LYS A 1 394 ? -11.387 7.560 72.259 1.00 19.95 ? 470 LYS A N 1 ATOM 3055 C CA . LYS A 1 394 ? -11.218 7.229 73.669 1.00 27.89 ? 470 LYS A CA 1 ATOM 3056 C C . LYS A 1 394 ? -9.807 7.545 74.148 1.00 32.57 ? 470 LYS A C 1 ATOM 3057 O O . LYS A 1 394 ? -9.389 8.703 74.142 1.00 36.24 ? 470 LYS A O 1 ATOM 3058 C CB . LYS A 1 394 ? -11.526 5.753 73.904 1.00 31.70 ? 470 LYS A CB 1 ATOM 3059 C CG . LYS A 1 394 ? -12.963 5.373 73.609 1.00 36.78 ? 470 LYS A CG 1 ATOM 3060 C CD . LYS A 1 394 ? -13.014 4.124 72.755 1.00 40.19 ? 470 LYS A CD 1 ATOM 3061 C CE . LYS A 1 394 ? -14.413 3.542 72.700 1.00 42.54 ? 470 LYS A CE 1 ATOM 3062 N NZ . LYS A 1 394 ? -14.410 2.242 71.974 1.00 43.47 ? 470 LYS A NZ 1 ATOM 3063 N N . PRO B 1 1 ? -46.442 49.685 -12.284 1.00 47.97 ? 82 PRO B N 1 ATOM 3064 C CA . PRO B 1 1 ? -45.575 49.003 -11.315 1.00 45.84 ? 82 PRO B CA 1 ATOM 3065 C C . PRO B 1 1 ? -44.568 48.081 -11.996 1.00 40.62 ? 82 PRO B C 1 ATOM 3066 O O . PRO B 1 1 ? -44.950 47.081 -12.604 1.00 41.36 ? 82 PRO B O 1 ATOM 3067 C CB . PRO B 1 1 ? -46.561 48.178 -10.482 1.00 48.17 ? 82 PRO B CB 1 ATOM 3068 C CG . PRO B 1 1 ? -47.859 48.903 -10.607 1.00 49.56 ? 82 PRO B CG 1 ATOM 3069 C CD . PRO B 1 1 ? -47.871 49.472 -11.997 1.00 49.29 ? 82 PRO B CD 1 ATOM 3070 N N . GLU B 1 2 ? -43.289 48.423 -11.891 1.00 33.96 ? 83 GLU B N 1 ATOM 3071 C CA . GLU B 1 2 ? -42.228 47.604 -12.458 1.00 30.20 ? 83 GLU B CA 1 ATOM 3072 C C . GLU B 1 2 ? -41.212 47.248 -11.385 1.00 22.79 ? 83 GLU B C 1 ATOM 3073 O O . GLU B 1 2 ? -41.143 47.910 -10.352 1.00 21.39 ? 83 GLU B O 1 ATOM 3074 C CB . GLU B 1 2 ? -41.546 48.340 -13.609 1.00 36.01 ? 83 GLU B CB 1 ATOM 3075 C CG . GLU B 1 2 ? -42.460 48.582 -14.796 1.00 41.55 ? 83 GLU B CG 1 ATOM 3076 C CD . GLU B 1 2 ? -41.715 49.084 -16.013 1.00 46.65 ? 83 GLU B CD 1 ATOM 3077 O OE1 . GLU B 1 2 ? -41.164 50.203 -15.954 1.00 48.71 ? 83 GLU B OE1 1 ATOM 3078 O OE2 . GLU B 1 2 ? -41.684 48.356 -17.030 1.00 48.31 ? 83 GLU B OE2 1 ATOM 3079 N N . PHE B 1 3 ? -40.429 46.201 -11.619 1.00 18.34 ? 84 PHE B N 1 ATOM 3080 C CA . PHE B 1 3 ? -39.396 45.828 -10.658 1.00 15.31 ? 84 PHE B CA 1 ATOM 3081 C C . PHE B 1 3 ? -38.301 46.884 -10.624 1.00 16.24 ? 84 PHE B C 1 ATOM 3082 O O . PHE B 1 3 ? -37.940 47.449 -11.661 1.00 17.70 ? 84 PHE B O 1 ATOM 3083 C CB . PHE B 1 3 ? -38.777 44.466 -10.994 1.00 14.88 ? 84 PHE B CB 1 ATOM 3084 C CG . PHE B 1 3 ? -39.729 43.307 -10.855 1.00 14.81 ? 84 PHE B CG 1 ATOM 3085 C CD1 . PHE B 1 3 ? -40.363 43.051 -9.649 1.00 15.52 ? 84 PHE B CD1 1 ATOM 3086 C CD2 . PHE B 1 3 ? -39.961 42.454 -11.923 1.00 16.22 ? 84 PHE B CD2 1 ATOM 3087 C CE1 . PHE B 1 3 ? -41.233 41.975 -9.516 1.00 15.24 ? 84 PHE B CE1 1 ATOM 3088 C CE2 . PHE B 1 3 ? -40.825 41.375 -11.797 1.00 16.39 ? 84 PHE B CE2 1 ATOM 3089 C CZ . PHE B 1 3 ? -41.463 41.137 -10.593 1.00 16.12 ? 84 PHE B CZ 1 ATOM 3090 N N . LEU B 1 4 ? -37.782 47.154 -9.431 1.00 15.01 ? 85 LEU B N 1 ATOM 3091 C CA . LEU B 1 4 ? -36.633 48.036 -9.285 1.00 15.20 ? 85 LEU B CA 1 ATOM 3092 C C . LEU B 1 4 ? -35.385 47.318 -9.774 1.00 14.64 ? 85 LEU B C 1 ATOM 3093 O O . LEU B 1 4 ? -35.108 46.199 -9.352 1.00 15.92 ? 85 LEU B O 1 ATOM 3094 C CB . LEU B 1 4 ? -36.442 48.430 -7.819 1.00 16.94 ? 85 LEU B CB 1 ATOM 3095 C CG . LEU B 1 4 ? -37.411 49.443 -7.212 1.00 18.63 ? 85 LEU B CG 1 ATOM 3096 C CD1 . LEU B 1 4 ? -37.204 49.534 -5.704 1.00 18.42 ? 85 LEU B CD1 1 ATOM 3097 C CD2 . LEU B 1 4 ? -37.230 50.806 -7.872 1.00 21.56 ? 85 LEU B CD2 1 ATOM 3098 N N . ASN B 1 5 ? -34.625 47.950 -10.660 1.00 14.95 ? 86 ASN B N 1 ATOM 3099 C CA . ASN B 1 5 ? -33.331 47.393 -11.032 1.00 15.51 ? 86 ASN B CA 1 ATOM 3100 C C . ASN B 1 5 ? -32.422 47.258 -9.817 1.00 14.60 ? 86 ASN B C 1 ATOM 3101 O O . ASN B 1 5 ? -31.940 46.169 -9.513 1.00 14.50 ? 86 ASN B O 1 ATOM 3102 C CB . ASN B 1 5 ? -32.632 48.254 -12.084 1.00 16.99 ? 86 ASN B CB 1 ATOM 3103 C CG . ASN B 1 5 ? -33.158 48.016 -13.484 1.00 21.61 ? 86 ASN B CG 1 ATOM 3104 O OD1 . ASN B 1 5 ? -33.872 47.048 -13.741 1.00 23.78 ? 86 ASN B OD1 1 ATOM 3105 N ND2 . ASN B 1 5 ? -32.796 48.901 -14.401 1.00 23.57 ? 86 ASN B ND2 1 ATOM 3106 N N . ASN B 1 6 ? -32.187 48.378 -9.135 1.00 13.56 ? 87 ASN B N 1 ATOM 3107 C CA . ASN B 1 6 ? -31.292 48.418 -7.978 1.00 13.49 ? 87 ASN B CA 1 ATOM 3108 C C . ASN B 1 6 ? -29.913 47.852 -8.287 1.00 13.54 ? 87 ASN B C 1 ATOM 3109 O O . ASN B 1 6 ? -29.284 47.237 -7.428 1.00 14.32 ? 87 ASN B O 1 ATOM 3110 C CB . ASN B 1 6 ? -31.891 47.661 -6.788 1.00 15.45 ? 87 ASN B CB 1 ATOM 3111 C CG . ASN B 1 6 ? -32.729 48.545 -5.894 1.00 16.24 ? 87 ASN B CG 1 ATOM 3112 O OD1 . ASN B 1 6 ? -32.559 49.765 -5.866 1.00 15.58 ? 87 ASN B OD1 1 ATOM 3113 N ND2 . ASN B 1 6 ? -33.637 47.931 -5.144 1.00 17.62 ? 87 ASN B ND2 1 ATOM 3114 N N . THR B 1 7 ? -29.448 48.061 -9.515 1.00 13.11 ? 88 THR B N 1 ATOM 3115 C CA . THR B 1 7 ? -28.144 47.556 -9.927 1.00 13.42 ? 88 THR B CA 1 ATOM 3116 C C . THR B 1 7 ? -27.110 48.676 -10.020 1.00 13.22 ? 88 THR B C 1 ATOM 3117 O O . THR B 1 7 ? -25.987 48.458 -10.473 1.00 14.53 ? 88 THR B O 1 ATOM 3118 C CB . THR B 1 7 ? -28.228 46.807 -11.272 1.00 15.95 ? 88 THR B CB 1 ATOM 3119 O OG1 . THR B 1 7 ? -28.841 47.649 -12.253 1.00 18.21 ? 88 THR B OG1 1 ATOM 3120 C CG2 . THR B 1 7 ? -29.055 45.539 -11.120 1.00 17.82 ? 88 THR B CG2 1 ATOM 3121 N N . GLU B 1 8 ? -27.495 49.869 -9.575 1.00 12.55 ? 89 GLU B N 1 ATOM 3122 C CA . GLU B 1 8 ? -26.617 51.034 -9.615 1.00 12.45 ? 89 GLU B CA 1 ATOM 3123 C C . GLU B 1 8 ? -25.508 50.930 -8.573 1.00 12.56 ? 89 GLU B C 1 ATOM 3124 O O . GLU B 1 8 ? -25.613 50.162 -7.620 1.00 13.36 ? 89 GLU B O 1 ATOM 3125 C CB . GLU B 1 8 ? -27.428 52.317 -9.375 1.00 13.80 ? 89 GLU B CB 1 ATOM 3126 C CG . GLU B 1 8 ? -28.444 52.642 -10.462 1.00 15.96 ? 89 GLU B CG 1 ATOM 3127 C CD . GLU B 1 8 ? -29.750 51.872 -10.328 1.00 20.25 ? 89 GLU B CD 1 ATOM 3128 O OE1 . GLU B 1 8 ? -29.935 51.161 -9.319 1.00 22.03 ? 89 GLU B OE1 1 ATOM 3129 O OE2 . GLU B 1 8 ? -30.604 51.995 -11.233 1.00 23.34 ? 89 GLU B OE2 1 ATOM 3130 N N . PRO B 1 9 ? -24.432 51.706 -8.751 1.00 12.78 ? 90 PRO B N 1 ATOM 3131 C CA . PRO B 1 9 ? -23.402 51.781 -7.709 1.00 12.37 ? 90 PRO B CA 1 ATOM 3132 C C . PRO B 1 9 ? -23.949 52.459 -6.455 1.00 12.23 ? 90 PRO B C 1 ATOM 3133 O O . PRO B 1 9 ? -24.839 53.298 -6.560 1.00 13.15 ? 90 PRO B O 1 ATOM 3134 C CB . PRO B 1 9 ? -22.326 52.669 -8.340 1.00 13.85 ? 90 PRO B CB 1 ATOM 3135 C CG . PRO B 1 9 ? -23.024 53.424 -9.416 1.00 14.44 ? 90 PRO B CG 1 ATOM 3136 C CD . PRO B 1 9 ? -24.107 52.530 -9.926 1.00 13.60 ? 90 PRO B CD 1 ATOM 3137 N N . LEU B 1 10 ? -23.432 52.095 -5.286 1.00 11.33 ? 91 LEU B N 1 ATOM 3138 C CA . LEU B 1 10 ? -23.750 52.821 -4.066 1.00 11.25 ? 91 LEU B CA 1 ATOM 3139 C C . LEU B 1 10 ? -23.078 54.194 -4.145 1.00 12.32 ? 91 LEU B C 1 ATOM 3140 O O . LEU B 1 10 ? -21.937 54.303 -4.597 1.00 13.73 ? 91 LEU B O 1 ATOM 3141 C CB . LEU B 1 10 ? -23.242 52.058 -2.841 1.00 11.74 ? 91 LEU B CB 1 ATOM 3142 C CG . LEU B 1 10 ? -23.686 52.581 -1.472 1.00 10.73 ? 91 LEU B CG 1 ATOM 3143 C CD1 . LEU B 1 10 ? -25.107 52.120 -1.159 1.00 10.72 ? 91 LEU B CD1 1 ATOM 3144 C CD2 . LEU B 1 10 ? -22.715 52.118 -0.389 1.00 11.10 ? 91 LEU B CD2 1 ATOM 3145 N N . CYS B 1 11 ? -23.784 55.238 -3.722 1.00 11.47 ? 92 CYS B N 1 ATOM 3146 C CA . CYS B 1 11 ? -23.208 56.577 -3.701 1.00 12.94 ? 92 CYS B CA 1 ATOM 3147 C C . CYS B 1 11 ? -22.033 56.650 -2.738 1.00 12.66 ? 92 CYS B C 1 ATOM 3148 O O . CYS B 1 11 ? -22.038 56.008 -1.692 1.00 12.76 ? 92 CYS B O 1 ATOM 3149 C CB . CYS B 1 11 ? -24.245 57.612 -3.256 1.00 16.36 ? 92 CYS B CB 1 ATOM 3150 S SG . CYS B 1 11 ? -25.709 57.768 -4.296 1.00 19.90 ? 92 CYS B SG 1 ATOM 3151 N N . ASN B 1 12 ? -21.023 57.436 -3.095 1.00 12.91 ? 93 ASN B N 1 ATOM 3152 C CA . ASN B 1 12 ? -20.018 57.854 -2.127 1.00 14.17 ? 93 ASN B CA 1 ATOM 3153 C C . ASN B 1 12 ? -20.567 59.052 -1.367 1.00 13.87 ? 93 ASN B C 1 ATOM 3154 O O . ASN B 1 12 ? -21.064 59.998 -1.978 1.00 15.71 ? 93 ASN B O 1 ATOM 3155 C CB . ASN B 1 12 ? -18.718 58.239 -2.832 1.00 15.35 ? 93 ASN B CB 1 ATOM 3156 C CG . ASN B 1 12 ? -18.062 57.064 -3.510 1.00 18.35 ? 93 ASN B CG 1 ATOM 3157 O OD1 . ASN B 1 12 ? -17.947 55.985 -2.925 1.00 18.65 ? 93 ASN B OD1 1 ATOM 3158 N ND2 . ASN B 1 12 ? -17.627 57.266 -4.754 1.00 19.69 ? 93 ASN B ND2 1 ATOM 3159 N N . VAL B 1 13 ? -20.492 59.004 -0.040 1.00 11.65 ? 94 VAL B N 1 ATOM 3160 C CA . VAL B 1 13 ? -21.023 60.068 0.806 1.00 12.15 ? 94 VAL B CA 1 ATOM 3161 C C . VAL B 1 13 ? -19.967 60.569 1.788 1.00 12.71 ? 94 VAL B C 1 ATOM 3162 O O . VAL B 1 13 ? -19.079 59.820 2.184 1.00 13.88 ? 94 VAL B O 1 ATOM 3163 C CB . VAL B 1 13 ? -22.276 59.597 1.585 1.00 10.05 ? 94 VAL B CB 1 ATOM 3164 C CG1 . VAL B 1 13 ? -23.393 59.244 0.616 1.00 11.54 ? 94 VAL B CG1 1 ATOM 3165 C CG2 . VAL B 1 13 ? -21.943 58.408 2.496 1.00 10.92 ? 94 VAL B CG2 1 ATOM 3166 N N . SER B 1 14 ? -20.066 61.840 2.176 1.00 13.30 ? 95 SER B N 1 ATOM 3167 C CA . SER B 1 14 ? -19.086 62.450 3.074 1.00 14.24 ? 95 SER B CA 1 ATOM 3168 C C . SER B 1 14 ? -19.647 62.739 4.459 1.00 13.68 ? 95 SER B C 1 ATOM 3169 O O . SER B 1 14 ? -18.928 63.211 5.346 1.00 14.14 ? 95 SER B O 1 ATOM 3170 C CB . SER B 1 14 ? -18.525 63.739 2.466 1.00 16.46 ? 95 SER B CB 1 ATOM 3171 O OG . SER B 1 14 ? -17.712 63.457 1.341 1.00 19.98 ? 95 SER B OG 1 ATOM 3172 N N . GLY B 1 15 ? -20.929 62.453 4.650 1.00 13.32 ? 96 GLY B N 1 ATOM 3173 C CA . GLY B 1 15 ? -21.555 62.693 5.934 1.00 11.96 ? 96 GLY B CA 1 ATOM 3174 C C . GLY B 1 15 ? -22.939 62.088 6.000 1.00 12.19 ? 96 GLY B C 1 ATOM 3175 O O . GLY B 1 15 ? -23.464 61.618 4.991 1.00 11.85 ? 96 GLY B O 1 ATOM 3176 N N . PHE B 1 16 ? -23.528 62.097 7.192 1.00 11.43 ? 97 PHE B N 1 ATOM 3177 C CA . PHE B 1 16 ? -24.850 61.512 7.393 1.00 11.13 ? 97 PHE B CA 1 ATOM 3178 C C . PHE B 1 16 ? -25.772 62.498 8.095 1.00 11.63 ? 97 PHE B C 1 ATOM 3179 O O . PHE B 1 16 ? -25.436 63.022 9.155 1.00 12.33 ? 97 PHE B O 1 ATOM 3180 C CB . PHE B 1 16 ? -24.747 60.200 8.183 1.00 12.26 ? 97 PHE B CB 1 ATOM 3181 C CG . PHE B 1 16 ? -24.169 59.063 7.384 1.00 14.26 ? 97 PHE B CG 1 ATOM 3182 C CD1 . PHE B 1 16 ? -24.998 58.204 6.683 1.00 14.25 ? 97 PHE B CD1 1 ATOM 3183 C CD2 . PHE B 1 16 ? -22.799 58.871 7.314 1.00 16.24 ? 97 PHE B CD2 1 ATOM 3184 C CE1 . PHE B 1 16 ? -24.474 57.164 5.931 1.00 14.35 ? 97 PHE B CE1 1 ATOM 3185 C CE2 . PHE B 1 16 ? -22.267 57.833 6.564 1.00 17.54 ? 97 PHE B CE2 1 ATOM 3186 C CZ . PHE B 1 16 ? -23.108 56.979 5.871 1.00 16.41 ? 97 PHE B CZ 1 ATOM 3187 N N . ALA B 1 17 ? -26.930 62.743 7.488 1.00 11.40 ? 98 ALA B N 1 ATOM 3188 C CA . ALA B 1 17 ? -27.893 63.713 7.994 1.00 9.41 ? 98 ALA B CA 1 ATOM 3189 C C . ALA B 1 17 ? -29.067 62.982 8.626 1.00 8.46 ? 98 ALA B C 1 ATOM 3190 O O . ALA B 1 17 ? -29.530 61.978 8.091 1.00 10.61 ? 98 ALA B O 1 ATOM 3191 C CB . ALA B 1 17 ? -28.386 64.592 6.856 1.00 10.26 ? 98 ALA B CB 1 ATOM 3192 N N . ILE B 1 18 ? -29.569 63.493 9.746 1.00 8.25 ? 99 ILE B N 1 ATOM 3193 C CA . ILE B 1 18 ? -30.695 62.839 10.403 1.00 7.92 ? 99 ILE B CA 1 ATOM 3194 C C . ILE B 1 18 ? -31.970 62.991 9.580 1.00 8.18 ? 99 ILE B C 1 ATOM 3195 O O . ILE B 1 18 ? -32.295 64.086 9.103 1.00 8.90 ? 99 ILE B O 1 ATOM 3196 C CB . ILE B 1 18 ? -30.910 63.319 11.862 1.00 7.61 ? 99 ILE B CB 1 ATOM 3197 C CG1 . ILE B 1 18 ? -31.846 62.352 12.600 1.00 7.36 ? 99 ILE B CG1 1 ATOM 3198 C CG2 . ILE B 1 18 ? -31.436 64.764 11.903 1.00 8.56 ? 99 ILE B CG2 1 ATOM 3199 C CD1 . ILE B 1 18 ? -31.851 62.533 14.105 1.00 8.49 ? 99 ILE B CD1 1 ATOM 3200 N N . VAL B 1 19 ? -32.674 61.877 9.409 1.00 8.43 ? 100 VAL B N 1 ATOM 3201 C CA . VAL B 1 19 ? -33.887 61.828 8.602 1.00 9.86 ? 100 VAL B CA 1 ATOM 3202 C C . VAL B 1 19 ? -35.125 61.730 9.482 1.00 9.33 ? 100 VAL B C 1 ATOM 3203 O O . VAL B 1 19 ? -36.145 62.361 9.211 1.00 10.66 ? 100 VAL B O 1 ATOM 3204 C CB . VAL B 1 19 ? -33.864 60.619 7.651 1.00 12.32 ? 100 VAL B CB 1 ATOM 3205 C CG1 . VAL B 1 19 ? -35.189 60.491 6.913 1.00 14.91 ? 100 VAL B CG1 1 ATOM 3206 C CG2 . VAL B 1 19 ? -32.699 60.737 6.680 1.00 15.17 ? 100 VAL B CG2 1 ATOM 3207 N N . SER B 1 20 ? -35.042 60.936 10.540 1.00 7.22 ? 101 SER B N 1 ATOM 3208 C CA . SER B 1 20 ? -36.204 60.755 11.399 1.00 8.29 ? 101 SER B CA 1 ATOM 3209 C C . SER B 1 20 ? -35.829 60.322 12.805 1.00 7.60 ? 101 SER B C 1 ATOM 3210 O O . SER B 1 20 ? -34.718 59.848 13.052 1.00 8.85 ? 101 SER B O 1 ATOM 3211 C CB . SER B 1 20 ? -37.176 59.748 10.779 1.00 11.08 ? 101 SER B CB 1 ATOM 3212 O OG . SER B 1 20 ? -36.649 58.438 10.841 1.00 15.21 ? 101 SER B OG 1 ATOM 3213 N N . LYS B 1 21 ? -36.770 60.511 13.722 1.00 7.22 ? 102 LYS B N 1 ATOM 3214 C CA . LYS B 1 21 ? -36.641 60.045 15.094 1.00 7.98 ? 102 LYS B CA 1 ATOM 3215 C C . LYS B 1 21 ? -38.063 59.808 15.573 1.00 9.33 ? 102 LYS B C 1 ATOM 3216 O O . LYS B 1 21 ? -38.900 60.710 15.493 1.00 10.86 ? 102 LYS B O 1 ATOM 3217 C CB . LYS B 1 21 ? -35.963 61.100 15.968 1.00 8.46 ? 102 LYS B CB 1 ATOM 3218 C CG . LYS B 1 21 ? -35.757 60.652 17.408 1.00 8.17 ? 102 LYS B CG 1 ATOM 3219 C CD . LYS B 1 21 ? -35.083 61.735 18.239 1.00 8.64 ? 102 LYS B CD 1 ATOM 3220 C CE . LYS B 1 21 ? -34.509 61.177 19.536 1.00 8.67 ? 102 LYS B CE 1 ATOM 3221 N NZ . LYS B 1 21 ? -35.537 60.468 20.369 1.00 9.29 ? 102 LYS B NZ 1 ATOM 3222 N N . ASP B 1 22 ? -38.359 58.605 16.052 1.00 8.83 ? 103 ASP B N 1 ATOM 3223 C CA . ASP B 1 22 ? -39.755 58.282 16.333 1.00 10.78 ? 103 ASP B CA 1 ATOM 3224 C C . ASP B 1 22 ? -40.213 58.619 17.749 1.00 9.36 ? 103 ASP B C 1 ATOM 3225 O O . ASP B 1 22 ? -41.413 58.735 17.991 1.00 9.74 ? 103 ASP B O 1 ATOM 3226 C CB . ASP B 1 22 ? -40.085 56.828 15.974 1.00 13.27 ? 103 ASP B CB 1 ATOM 3227 C CG . ASP B 1 22 ? -39.173 55.836 16.659 1.00 18.88 ? 103 ASP B CG 1 ATOM 3228 O OD1 . ASP B 1 22 ? -38.821 56.061 17.828 1.00 21.42 ? 103 ASP B OD1 1 ATOM 3229 O OD2 . ASP B 1 22 ? -38.820 54.817 16.033 1.00 23.46 ? 103 ASP B OD2 1 ATOM 3230 N N . ASN B 1 23 ? -39.268 58.782 18.676 1.00 8.46 ? 104 ASN B N 1 ATOM 3231 C CA . ASN B 1 23 ? -39.609 59.122 20.058 1.00 7.51 ? 104 ASN B CA 1 ATOM 3232 C C . ASN B 1 23 ? -40.661 58.184 20.655 1.00 8.40 ? 104 ASN B C 1 ATOM 3233 O O . ASN B 1 23 ? -41.473 58.593 21.484 1.00 7.93 ? 104 ASN B O 1 ATOM 3234 C CB . ASN B 1 23 ? -40.099 60.568 20.146 1.00 8.47 ? 104 ASN B CB 1 ATOM 3235 C CG . ASN B 1 23 ? -39.002 61.577 19.853 1.00 10.57 ? 104 ASN B CG 1 ATOM 3236 O OD1 . ASN B 1 23 ? -38.027 61.689 20.601 1.00 11.44 ? 104 ASN B OD1 1 ATOM 3237 N ND2 . ASN B 1 23 ? -39.160 62.326 18.766 1.00 12.14 ? 104 ASN B ND2 1 ATOM 3238 N N . GLY B 1 24 ? -40.631 56.921 20.245 1.00 9.24 ? 105 GLY B N 1 ATOM 3239 C CA . GLY B 1 24 ? -41.699 55.995 20.573 1.00 8.10 ? 105 GLY B CA 1 ATOM 3240 C C . GLY B 1 24 ? -41.901 55.748 22.055 1.00 8.33 ? 105 GLY B C 1 ATOM 3241 O O . GLY B 1 24 ? -43.035 55.623 22.520 1.00 9.51 ? 105 GLY B O 1 ATOM 3242 N N . ILE B 1 25 ? -40.808 55.660 22.803 1.00 7.60 ? 106 ILE B N 1 ATOM 3243 C CA . ILE B 1 25 ? -40.915 55.338 24.221 1.00 7.12 ? 106 ILE B CA 1 ATOM 3244 C C . ILE B 1 25 ? -41.417 56.547 25.021 1.00 7.57 ? 106 ILE B C 1 ATOM 3245 O O . ILE B 1 25 ? -42.266 56.406 25.903 1.00 9.05 ? 106 ILE B O 1 ATOM 3246 C CB . ILE B 1 25 ? -39.594 54.760 24.779 1.00 7.29 ? 106 ILE B CB 1 ATOM 3247 C CG1 . ILE B 1 25 ? -39.205 53.507 23.984 1.00 8.48 ? 106 ILE B CG1 1 ATOM 3248 C CG2 . ILE B 1 25 ? -39.732 54.417 26.258 1.00 7.32 ? 106 ILE B CG2 1 ATOM 3249 C CD1 . ILE B 1 25 ? -37.898 52.874 24.410 1.00 9.34 ? 106 ILE B CD1 1 ATOM 3250 N N . ARG B 1 26 ? -40.917 57.735 24.691 1.00 6.90 ? 107 ARG B N 1 ATOM 3251 C CA . ARG B 1 26 ? -41.438 58.960 25.294 1.00 7.59 ? 107 ARG B CA 1 ATOM 3252 C C . ARG B 1 26 ? -42.941 59.056 25.075 1.00 7.09 ? 107 ARG B C 1 ATOM 3253 O O . ARG B 1 26 ? -43.702 59.343 25.999 1.00 7.84 ? 107 ARG B O 1 ATOM 3254 C CB . ARG B 1 26 ? -40.764 60.191 24.687 1.00 7.16 ? 107 ARG B CB 1 ATOM 3255 C CG . ARG B 1 26 ? -39.341 60.445 25.190 1.00 7.75 ? 107 ARG B CG 1 ATOM 3256 C CD . ARG B 1 26 ? -38.647 61.565 24.407 1.00 7.31 ? 107 ARG B CD 1 ATOM 3257 N NE . ARG B 1 26 ? -39.344 62.850 24.500 1.00 7.16 ? 107 ARG B NE 1 ATOM 3258 C CZ . ARG B 1 26 ? -39.154 63.754 25.460 1.00 8.52 ? 107 ARG B CZ 1 ATOM 3259 N NH1 . ARG B 1 26 ? -38.285 63.525 26.440 1.00 9.93 ? 107 ARG B NH1 1 ATOM 3260 N NH2 . ARG B 1 26 ? -39.837 64.898 25.440 1.00 9.13 ? 107 ARG B NH2 1 ATOM 3261 N N . ILE B 1 27 ? -43.366 58.828 23.838 1.00 8.07 ? 108 ILE B N 1 ATOM 3262 C CA . ILE B 1 27 ? -44.779 58.903 23.500 1.00 8.02 ? 108 ILE B CA 1 ATOM 3263 C C . ILE B 1 27 ? -45.559 57.830 24.258 1.00 9.16 ? 108 ILE B C 1 ATOM 3264 O O . ILE B 1 27 ? -46.646 58.090 24.775 1.00 9.06 ? 108 ILE B O 1 ATOM 3265 C CB . ILE B 1 27 ? -44.985 58.777 21.967 1.00 6.93 ? 108 ILE B CB 1 ATOM 3266 C CG1 . ILE B 1 27 ? -44.393 60.002 21.258 1.00 6.82 ? 108 ILE B CG1 1 ATOM 3267 C CG2 . ILE B 1 27 ? -46.469 58.608 21.617 1.00 9.18 ? 108 ILE B CG2 1 ATOM 3268 C CD1 . ILE B 1 27 ? -44.264 59.838 19.752 1.00 7.56 ? 108 ILE B CD1 1 ATOM 3269 N N . GLY B 1 28 ? -44.977 56.636 24.350 1.00 9.15 ? 109 GLY B N 1 ATOM 3270 C CA . GLY B 1 28 ? -45.632 55.493 24.962 1.00 8.42 ? 109 GLY B CA 1 ATOM 3271 C C . GLY B 1 28 ? -45.752 55.563 26.472 1.00 8.49 ? 109 GLY B C 1 ATOM 3272 O O . GLY B 1 28 ? -46.327 54.676 27.102 1.00 9.78 ? 109 GLY B O 1 ATOM 3273 N N . SER B 1 29 ? -45.206 56.617 27.062 1.00 8.49 ? 110 SER B N 1 ATOM 3274 C CA . SER B 1 29 ? -45.413 56.862 28.482 1.00 9.24 ? 110 SER B CA 1 ATOM 3275 C C . SER B 1 29 ? -46.907 57.085 28.737 1.00 9.68 ? 110 SER B C 1 ATOM 3276 O O . SER B 1 29 ? -47.426 56.752 29.807 1.00 10.18 ? 110 SER B O 1 ATOM 3277 C CB . SER B 1 29 ? -44.593 58.074 28.924 1.00 9.14 ? 110 SER B CB 1 ATOM 3278 O OG . SER B 1 29 ? -44.743 58.338 30.305 1.00 10.42 ? 110 SER B OG 1 ATOM 3279 N N . ARG B 1 30 ? -47.595 57.634 27.736 1.00 8.73 ? 111 ARG B N 1 ATOM 3280 C CA . ARG B 1 30 ? -49.029 57.901 27.835 1.00 8.48 ? 111 ARG B CA 1 ATOM 3281 C C . ARG B 1 30 ? -49.825 57.336 26.658 1.00 8.34 ? 111 ARG B C 1 ATOM 3282 O O . ARG B 1 30 ? -50.933 56.830 26.832 1.00 8.98 ? 111 ARG B O 1 ATOM 3283 C CB . ARG B 1 30 ? -49.289 59.409 27.960 1.00 7.98 ? 111 ARG B CB 1 ATOM 3284 C CG . ARG B 1 30 ? -50.763 59.778 28.141 1.00 8.64 ? 111 ARG B CG 1 ATOM 3285 C CD . ARG B 1 30 ? -50.887 61.208 28.659 1.00 7.89 ? 111 ARG B CD 1 ATOM 3286 N NE . ARG B 1 30 ? -52.265 61.587 28.962 1.00 9.49 ? 111 ARG B NE 1 ATOM 3287 C CZ . ARG B 1 30 ? -52.907 61.274 30.085 1.00 10.66 ? 111 ARG B CZ 1 ATOM 3288 N NH1 . ARG B 1 30 ? -52.306 60.550 31.026 1.00 11.99 ? 111 ARG B NH1 1 ATOM 3289 N NH2 . ARG B 1 30 ? -54.157 61.681 30.264 1.00 12.87 ? 111 ARG B NH2 1 ATOM 3290 N N . GLY B 1 31 ? -49.262 57.429 25.460 1.00 7.88 ? 112 GLY B N 1 ATOM 3291 C CA . GLY B 1 31 ? -49.937 56.924 24.278 1.00 7.50 ? 112 GLY B CA 1 ATOM 3292 C C . GLY B 1 31 ? -49.914 55.408 24.213 1.00 8.15 ? 112 GLY B C 1 ATOM 3293 O O . GLY B 1 31 ? -49.320 54.738 25.062 1.00 9.83 ? 112 GLY B O 1 ATOM 3294 N N . HIS B 1 32 ? -50.552 54.860 23.188 1.00 7.06 ? 113 HIS B N 1 ATOM 3295 C CA . HIS B 1 32 ? -50.633 53.412 23.044 1.00 6.70 ? 113 HIS B CA 1 ATOM 3296 C C . HIS B 1 32 ? -49.631 52.937 22.008 1.00 7.11 ? 113 HIS B C 1 ATOM 3297 O O . HIS B 1 32 ? -49.890 52.964 20.802 1.00 8.86 ? 113 HIS B O 1 ATOM 3298 C CB . HIS B 1 32 ? -52.065 53.001 22.707 1.00 7.60 ? 113 HIS B CB 1 ATOM 3299 C CG . HIS B 1 32 ? -53.031 53.308 23.807 1.00 7.14 ? 113 HIS B CG 1 ATOM 3300 N ND1 . HIS B 1 32 ? -54.390 53.400 23.614 1.00 7.86 ? 113 HIS B ND1 1 ATOM 3301 C CD2 . HIS B 1 32 ? -52.818 53.570 25.121 1.00 8.03 ? 113 HIS B CD2 1 ATOM 3302 C CE1 . HIS B 1 32 ? -54.978 53.687 24.764 1.00 8.18 ? 113 HIS B CE1 1 ATOM 3303 N NE2 . HIS B 1 32 ? -54.046 53.797 25.692 1.00 8.26 ? 113 HIS B NE2 1 ATOM 3304 N N . VAL B 1 33 ? -48.470 52.521 22.505 1.00 6.66 ? 114 VAL B N 1 ATOM 3305 C CA . VAL B 1 33 ? -47.315 52.221 21.669 1.00 7.24 ? 114 VAL B CA 1 ATOM 3306 C C . VAL B 1 33 ? -46.806 50.828 21.998 1.00 6.54 ? 114 VAL B C 1 ATOM 3307 O O . VAL B 1 33 ? -46.667 50.472 23.169 1.00 8.20 ? 114 VAL B O 1 ATOM 3308 C CB . VAL B 1 33 ? -46.193 53.252 21.912 1.00 6.57 ? 114 VAL B CB 1 ATOM 3309 C CG1 . VAL B 1 33 ? -44.954 52.916 21.095 1.00 8.58 ? 114 VAL B CG1 1 ATOM 3310 C CG2 . VAL B 1 33 ? -46.688 54.667 21.602 1.00 7.62 ? 114 VAL B CG2 1 ATOM 3311 N N . PHE B 1 34 ? -46.548 50.023 20.974 1.00 5.68 ? 115 PHE B N 1 ATOM 3312 C CA . PHE B 1 34 ? -46.039 48.678 21.214 1.00 7.16 ? 115 PHE B CA 1 ATOM 3313 C C . PHE B 1 34 ? -44.705 48.687 21.935 1.00 7.78 ? 115 PHE B C 1 ATOM 3314 O O . PHE B 1 34 ? -43.852 49.544 21.680 1.00 9.00 ? 115 PHE B O 1 ATOM 3315 C CB . PHE B 1 34 ? -45.873 47.908 19.904 1.00 7.30 ? 115 PHE B CB 1 ATOM 3316 C CG . PHE B 1 34 ? -47.153 47.355 19.360 1.00 7.49 ? 115 PHE B CG 1 ATOM 3317 C CD1 . PHE B 1 34 ? -47.734 46.235 19.934 1.00 8.29 ? 115 PHE B CD1 1 ATOM 3318 C CD2 . PHE B 1 34 ? -47.773 47.949 18.271 1.00 6.92 ? 115 PHE B CD2 1 ATOM 3319 C CE1 . PHE B 1 34 ? -48.910 45.718 19.436 1.00 7.98 ? 115 PHE B CE1 1 ATOM 3320 C CE2 . PHE B 1 34 ? -48.949 47.432 17.766 1.00 7.66 ? 115 PHE B CE2 1 ATOM 3321 C CZ . PHE B 1 34 ? -49.520 46.316 18.350 1.00 7.77 ? 115 PHE B CZ 1 ATOM 3322 N N . VAL B 1 35 ? -44.537 47.727 22.838 1.00 6.99 ? 116 VAL B N 1 ATOM 3323 C CA . VAL B 1 35 ? -43.212 47.323 23.274 1.00 6.42 ? 116 VAL B CA 1 ATOM 3324 C C . VAL B 1 35 ? -42.604 46.631 22.063 1.00 8.08 ? 116 VAL B C 1 ATOM 3325 O O . VAL B 1 35 ? -43.226 45.737 21.488 1.00 9.23 ? 116 VAL B O 1 ATOM 3326 C CB . VAL B 1 35 ? -43.283 46.311 24.424 1.00 6.28 ? 116 VAL B CB 1 ATOM 3327 C CG1 . VAL B 1 35 ? -41.878 45.879 24.843 1.00 7.12 ? 116 VAL B CG1 1 ATOM 3328 C CG2 . VAL B 1 35 ? -44.044 46.904 25.602 1.00 8.13 ? 116 VAL B CG2 1 ATOM 3329 N N . ILE B 1 36 ? -41.413 47.056 21.656 1.00 7.29 ? 117 ILE B N 1 ATOM 3330 C CA . ILE B 1 36 ? -40.757 46.463 20.496 1.00 7.34 ? 117 ILE B CA 1 ATOM 3331 C C . ILE B 1 36 ? -39.288 46.173 20.775 1.00 7.98 ? 117 ILE B C 1 ATOM 3332 O O . ILE B 1 36 ? -38.768 46.478 21.848 1.00 9.31 ? 117 ILE B O 1 ATOM 3333 C CB . ILE B 1 36 ? -40.840 47.397 19.249 1.00 6.41 ? 117 ILE B CB 1 ATOM 3334 C CG1 . ILE B 1 36 ? -39.943 48.631 19.421 1.00 7.52 ? 117 ILE B CG1 1 ATOM 3335 C CG2 . ILE B 1 36 ? -42.277 47.831 18.987 1.00 6.27 ? 117 ILE B CG2 1 ATOM 3336 C CD1 . ILE B 1 36 ? -39.618 49.333 18.104 1.00 9.31 ? 117 ILE B CD1 1 ATOM 3337 N N . ARG B 1 37 ? -38.636 45.551 19.804 1.00 6.65 ? 118 ARG B N 1 ATOM 3338 C CA . ARG B 1 37 ? -37.191 45.664 19.646 1.00 6.63 ? 118 ARG B CA 1 ATOM 3339 C C . ARG B 1 37 ? -36.883 45.283 18.209 1.00 6.97 ? 118 ARG B C 1 ATOM 3340 O O . ARG B 1 37 ? -37.801 44.992 17.438 1.00 8.49 ? 118 ARG B O 1 ATOM 3341 C CB . ARG B 1 37 ? -36.403 44.814 20.655 1.00 6.61 ? 118 ARG B CB 1 ATOM 3342 C CG . ARG B 1 37 ? -35.807 45.625 21.817 1.00 7.82 ? 118 ARG B CG 1 ATOM 3343 C CD . ARG B 1 37 ? -34.492 45.025 22.306 1.00 7.55 ? 118 ARG B CD 1 ATOM 3344 N NE . ARG B 1 37 ? -33.475 45.122 21.264 1.00 7.49 ? 118 ARG B NE 1 ATOM 3345 C CZ . ARG B 1 37 ? -32.455 44.281 21.118 1.00 7.63 ? 118 ARG B CZ 1 ATOM 3346 N NH1 . ARG B 1 37 ? -32.289 43.259 21.956 1.00 8.53 ? 118 ARG B NH1 1 ATOM 3347 N NH2 . ARG B 1 37 ? -31.599 44.464 20.124 1.00 7.77 ? 118 ARG B NH2 1 ATOM 3348 N N . GLU B 1 38 ? -35.611 45.316 17.840 1.00 6.76 ? 119 GLU B N 1 ATOM 3349 C CA . GLU B 1 38 ? -35.200 44.989 16.473 1.00 6.53 ? 119 GLU B CA 1 ATOM 3350 C C . GLU B 1 38 ? -35.955 45.784 15.391 1.00 8.29 ? 119 GLU B C 1 ATOM 3351 O O . GLU B 1 38 ? -36.514 45.200 14.455 1.00 9.13 ? 119 GLU B O 1 ATOM 3352 C CB . GLU B 1 38 ? -35.325 43.480 16.228 1.00 8.33 ? 119 GLU B CB 1 ATOM 3353 C CG . GLU B 1 38 ? -34.477 42.614 17.175 1.00 9.51 ? 119 GLU B CG 1 ATOM 3354 C CD . GLU B 1 38 ? -35.145 42.322 18.523 1.00 10.23 ? 119 GLU B CD 1 ATOM 3355 O OE1 . GLU B 1 38 ? -36.392 42.290 18.597 1.00 8.92 ? 119 GLU B OE1 1 ATOM 3356 O OE2 . GLU B 1 38 ? -34.416 42.103 19.518 1.00 8.70 ? 119 GLU B OE2 1 ATOM 3357 N N . PRO B 1 39 ? -35.957 47.121 15.503 1.00 8.09 ? 120 PRO B N 1 ATOM 3358 C CA . PRO B 1 39 ? -36.560 47.927 14.437 1.00 8.35 ? 120 PRO B CA 1 ATOM 3359 C C . PRO B 1 39 ? -35.637 47.948 13.229 1.00 8.90 ? 120 PRO B C 1 ATOM 3360 O O . PRO B 1 39 ? -34.443 47.697 13.381 1.00 9.91 ? 120 PRO B O 1 ATOM 3361 C CB . PRO B 1 39 ? -36.606 49.323 15.056 1.00 8.91 ? 120 PRO B CB 1 ATOM 3362 C CG . PRO B 1 39 ? -35.381 49.360 15.939 1.00 9.62 ? 120 PRO B CG 1 ATOM 3363 C CD . PRO B 1 39 ? -35.274 47.958 16.512 1.00 9.28 ? 120 PRO B CD 1 ATOM 3364 N N . PHE B 1 40 ? -36.178 48.228 12.048 1.00 7.29 ? 121 PHE B N 1 ATOM 3365 C CA . PHE B 1 40 ? -35.345 48.484 10.877 1.00 6.21 ? 121 PHE B CA 1 ATOM 3366 C C . PHE B 1 40 ? -36.121 49.275 9.841 1.00 8.85 ? 121 PHE B C 1 ATOM 3367 O O . PHE B 1 40 ? -37.328 49.431 9.956 1.00 11.19 ? 121 PHE B O 1 ATOM 3368 C CB . PHE B 1 40 ? -34.738 47.196 10.283 1.00 7.48 ? 121 PHE B CB 1 ATOM 3369 C CG . PHE B 1 40 ? -35.747 46.212 9.720 1.00 8.08 ? 121 PHE B CG 1 ATOM 3370 C CD1 . PHE B 1 40 ? -36.144 46.275 8.386 1.00 7.88 ? 121 PHE B CD1 1 ATOM 3371 C CD2 . PHE B 1 40 ? -36.239 45.182 10.507 1.00 8.56 ? 121 PHE B CD2 1 ATOM 3372 C CE1 . PHE B 1 40 ? -37.042 45.345 7.861 1.00 7.50 ? 121 PHE B CE1 1 ATOM 3373 C CE2 . PHE B 1 40 ? -37.135 44.252 9.995 1.00 8.69 ? 121 PHE B CE2 1 ATOM 3374 C CZ . PHE B 1 40 ? -37.541 44.335 8.669 1.00 7.27 ? 121 PHE B CZ 1 ATOM 3375 N N . VAL B 1 41 ? -35.422 49.797 8.844 1.00 7.18 ? 122 VAL B N 1 ATOM 3376 C CA . VAL B 1 41 ? -36.074 50.567 7.802 1.00 8.41 ? 122 VAL B CA 1 ATOM 3377 C C . VAL B 1 41 ? -35.859 49.895 6.454 1.00 8.31 ? 122 VAL B C 1 ATOM 3378 O O . VAL B 1 41 ? -34.792 49.354 6.183 1.00 9.02 ? 122 VAL B O 1 ATOM 3379 C CB . VAL B 1 41 ? -35.537 52.008 7.760 1.00 10.11 ? 122 VAL B CB 1 ATOM 3380 C CG1 . VAL B 1 41 ? -36.174 52.797 6.612 1.00 10.93 ? 122 VAL B CG1 1 ATOM 3381 C CG2 . VAL B 1 41 ? -35.792 52.699 9.090 1.00 9.71 ? 122 VAL B CG2 1 ATOM 3382 N N . ALA B 1 42 ? -36.889 49.917 5.618 1.00 7.99 ? 123 ALA B N 1 ATOM 3383 C CA . ALA B 1 42 ? -36.767 49.455 4.243 1.00 9.85 ? 123 ALA B CA 1 ATOM 3384 C C . ALA B 1 42 ? -37.541 50.405 3.343 1.00 9.87 ? 123 ALA B C 1 ATOM 3385 O O . ALA B 1 42 ? -38.550 50.966 3.754 1.00 10.26 ? 123 ALA B O 1 ATOM 3386 C CB . ALA B 1 42 ? -37.292 48.036 4.105 1.00 10.63 ? 123 ALA B CB 1 ATOM 3387 N N . CYS B 1 43 ? -37.065 50.591 2.117 1.00 12.13 ? 124 CYS B N 1 ATOM 3388 C CA . CYS B 1 43 ? -37.698 51.530 1.198 1.00 13.90 ? 124 CYS B CA 1 ATOM 3389 C C . CYS B 1 43 ? -38.242 50.856 -0.040 1.00 16.06 ? 124 CYS B C 1 ATOM 3390 O O . CYS B 1 43 ? -37.587 49.997 -0.628 1.00 17.59 ? 124 CYS B O 1 ATOM 3391 C CB . CYS B 1 43 ? -36.708 52.608 0.762 1.00 15.76 ? 124 CYS B CB 1 ATOM 3392 S SG . CYS B 1 43 ? -36.102 53.613 2.112 1.00 19.51 ? 124 CYS B SG 1 ATOM 3393 N N . GLY B 1 44 ? -39.444 51.266 -0.430 1.00 17.34 ? 125 GLY B N 1 ATOM 3394 C CA . GLY B 1 44 ? -40.013 50.888 -1.707 1.00 16.98 ? 125 GLY B CA 1 ATOM 3395 C C . GLY B 1 44 ? -39.797 52.022 -2.690 1.00 17.90 ? 125 GLY B C 1 ATOM 3396 O O . GLY B 1 44 ? -39.055 52.964 -2.401 1.00 17.41 ? 125 GLY B O 1 ATOM 3397 N N . PRO B 1 45 ? -40.444 51.944 -3.858 1.00 19.15 ? 126 PRO B N 1 ATOM 3398 C CA . PRO B 1 45 ? -40.276 52.949 -4.912 1.00 22.19 ? 126 PRO B CA 1 ATOM 3399 C C . PRO B 1 45 ? -40.710 54.346 -4.481 1.00 24.80 ? 126 PRO B C 1 ATOM 3400 O O . PRO B 1 45 ? -40.178 55.330 -4.999 1.00 26.29 ? 126 PRO B O 1 ATOM 3401 C CB . PRO B 1 45 ? -41.205 52.451 -6.024 1.00 20.91 ? 126 PRO B CB 1 ATOM 3402 C CG . PRO B 1 45 ? -41.376 51.009 -5.773 1.00 21.80 ? 126 PRO B CG 1 ATOM 3403 C CD . PRO B 1 45 ? -41.298 50.824 -4.288 1.00 19.60 ? 126 PRO B CD 1 ATOM 3404 N N . THR B 1 46 ? -41.660 54.433 -3.553 1.00 23.64 ? 127 THR B N 1 ATOM 3405 C CA . THR B 1 46 ? -42.284 55.714 -3.234 1.00 26.08 ? 127 THR B CA 1 ATOM 3406 C C . THR B 1 46 ? -42.332 56.039 -1.743 1.00 24.90 ? 127 THR B C 1 ATOM 3407 O O . THR B 1 46 ? -42.674 57.157 -1.363 1.00 26.49 ? 127 THR B O 1 ATOM 3408 C CB . THR B 1 46 ? -43.724 55.770 -3.768 1.00 29.60 ? 127 THR B CB 1 ATOM 3409 O OG1 . THR B 1 46 ? -44.544 54.860 -3.023 1.00 31.93 ? 127 THR B OG1 1 ATOM 3410 C CG2 . THR B 1 46 ? -43.760 55.390 -5.241 1.00 31.21 ? 127 THR B CG2 1 ATOM 3411 N N . GLU B 1 47 ? -41.991 55.072 -0.899 1.00 22.36 ? 128 GLU B N 1 ATOM 3412 C CA . GLU B 1 47 ? -42.102 55.258 0.543 1.00 21.43 ? 128 GLU B CA 1 ATOM 3413 C C . GLU B 1 47 ? -41.076 54.414 1.280 1.00 17.94 ? 128 GLU B C 1 ATOM 3414 O O . GLU B 1 47 ? -40.764 53.306 0.855 1.00 18.78 ? 128 GLU B O 1 ATOM 3415 C CB . GLU B 1 47 ? -43.517 54.882 1.023 1.00 25.76 ? 128 GLU B CB 1 ATOM 3416 C CG . GLU B 1 47 ? -43.640 54.717 2.539 1.00 29.58 ? 128 GLU B CG 1 ATOM 3417 C CD . GLU B 1 47 ? -45.025 54.269 3.001 1.00 31.14 ? 128 GLU B CD 1 ATOM 3418 O OE1 . GLU B 1 47 ? -45.617 54.965 3.855 1.00 34.04 ? 128 GLU B OE1 1 ATOM 3419 O OE2 . GLU B 1 47 ? -45.519 53.223 2.529 1.00 28.89 ? 128 GLU B OE2 1 ATOM 3420 N N . CYS B 1 48 ? -40.546 54.949 2.377 1.00 15.25 ? 129 CYS B N 1 ATOM 3421 C CA . CYS B 1 48 ? -39.778 54.150 3.324 1.00 13.27 ? 129 CYS B CA 1 ATOM 3422 C C . CYS B 1 48 ? -40.637 53.889 4.553 1.00 11.29 ? 129 CYS B C 1 ATOM 3423 O O . CYS B 1 48 ? -41.416 54.749 4.975 1.00 12.58 ? 129 CYS B O 1 ATOM 3424 C CB . CYS B 1 48 ? -38.485 54.862 3.734 1.00 15.23 ? 129 CYS B CB 1 ATOM 3425 S SG . CYS B 1 48 ? -37.343 55.201 2.368 1.00 18.62 ? 129 CYS B SG 1 ATOM 3426 N N . ARG B 1 49 ? -40.497 52.699 5.127 1.00 9.30 ? 130 ARG B N 1 ATOM 3427 C CA . ARG B 1 49 ? -41.264 52.325 6.305 1.00 8.48 ? 130 ARG B CA 1 ATOM 3428 C C . ARG B 1 49 ? -40.353 51.785 7.391 1.00 9.30 ? 130 ARG B C 1 ATOM 3429 O O . ARG B 1 49 ? -39.323 51.171 7.103 1.00 10.33 ? 130 ARG B O 1 ATOM 3430 C CB . ARG B 1 49 ? -42.320 51.266 5.955 1.00 9.29 ? 130 ARG B CB 1 ATOM 3431 C CG . ARG B 1 49 ? -43.334 51.714 4.921 1.00 11.40 ? 130 ARG B CG 1 ATOM 3432 C CD . ARG B 1 49 ? -44.395 50.653 4.652 1.00 11.27 ? 130 ARG B CD 1 ATOM 3433 N NE . ARG B 1 49 ? -45.225 50.351 5.822 1.00 11.30 ? 130 ARG B NE 1 ATOM 3434 C CZ . ARG B 1 49 ? -46.245 51.101 6.235 1.00 10.57 ? 130 ARG B CZ 1 ATOM 3435 N NH1 . ARG B 1 49 ? -46.564 52.220 5.589 1.00 10.44 ? 130 ARG B NH1 1 ATOM 3436 N NH2 . ARG B 1 49 ? -46.940 50.739 7.305 1.00 10.28 ? 130 ARG B NH2 1 ATOM 3437 N N . THR B 1 50 ? -40.739 52.017 8.641 1.00 9.04 ? 131 THR B N 1 ATOM 3438 C CA . THR B 1 50 ? -40.064 51.397 9.774 1.00 9.50 ? 131 THR B CA 1 ATOM 3439 C C . THR B 1 50 ? -40.760 50.097 10.145 1.00 8.94 ? 131 THR B C 1 ATOM 3440 O O . THR B 1 50 ? -41.967 50.080 10.415 1.00 10.22 ? 131 THR B O 1 ATOM 3441 C CB . THR B 1 50 ? -40.062 52.315 11.005 1.00 11.60 ? 131 THR B CB 1 ATOM 3442 O OG1 . THR B 1 50 ? -39.398 53.539 10.685 1.00 14.83 ? 131 THR B OG1 1 ATOM 3443 C CG2 . THR B 1 50 ? -39.338 51.653 12.169 1.00 12.59 ? 131 THR B CG2 1 ATOM 3444 N N . PHE B 1 51 ? -39.989 49.013 10.146 1.00 8.42 ? 132 PHE B N 1 ATOM 3445 C CA . PHE B 1 51 ? -40.463 47.710 10.580 1.00 7.57 ? 132 PHE B CA 1 ATOM 3446 C C . PHE B 1 51 ? -39.980 47.468 12.001 1.00 6.78 ? 132 PHE B C 1 ATOM 3447 O O . PHE B 1 51 ? -39.008 48.077 12.444 1.00 8.81 ? 132 PHE B O 1 ATOM 3448 C CB . PHE B 1 51 ? -39.924 46.619 9.646 1.00 7.64 ? 132 PHE B CB 1 ATOM 3449 C CG . PHE B 1 51 ? -40.550 46.636 8.278 1.00 7.66 ? 132 PHE B CG 1 ATOM 3450 C CD1 . PHE B 1 51 ? -40.151 47.565 7.324 1.00 8.04 ? 132 PHE B CD1 1 ATOM 3451 C CD2 . PHE B 1 51 ? -41.550 45.733 7.952 1.00 8.92 ? 132 PHE B CD2 1 ATOM 3452 C CE1 . PHE B 1 51 ? -40.742 47.589 6.066 1.00 8.76 ? 132 PHE B CE1 1 ATOM 3453 C CE2 . PHE B 1 51 ? -42.146 45.753 6.701 1.00 8.69 ? 132 PHE B CE2 1 ATOM 3454 C CZ . PHE B 1 51 ? -41.739 46.681 5.756 1.00 10.33 ? 132 PHE B CZ 1 ATOM 3455 N N . PHE B 1 52 ? -40.668 46.594 12.726 1.00 6.11 ? 133 PHE B N 1 ATOM 3456 C CA . PHE B 1 52 ? -40.284 46.310 14.103 1.00 6.40 ? 133 PHE B CA 1 ATOM 3457 C C . PHE B 1 52 ? -40.905 45.008 14.570 1.00 7.90 ? 133 PHE B C 1 ATOM 3458 O O . PHE B 1 52 ? -41.929 44.579 14.045 1.00 7.14 ? 133 PHE B O 1 ATOM 3459 C CB . PHE B 1 52 ? -40.695 47.458 15.039 1.00 8.01 ? 133 PHE B CB 1 ATOM 3460 C CG . PHE B 1 52 ? -42.103 47.934 14.834 1.00 6.29 ? 133 PHE B CG 1 ATOM 3461 C CD1 . PHE B 1 52 ? -42.382 48.923 13.899 1.00 7.40 ? 133 PHE B CD1 1 ATOM 3462 C CD2 . PHE B 1 52 ? -43.153 47.395 15.566 1.00 8.14 ? 133 PHE B CD2 1 ATOM 3463 C CE1 . PHE B 1 52 ? -43.682 49.369 13.696 1.00 8.49 ? 133 PHE B CE1 1 ATOM 3464 C CE2 . PHE B 1 52 ? -44.459 47.841 15.373 1.00 9.24 ? 133 PHE B CE2 1 ATOM 3465 C CZ . PHE B 1 52 ? -44.721 48.828 14.431 1.00 8.71 ? 133 PHE B CZ 1 ATOM 3466 N N . LEU B 1 53 ? -40.264 44.369 15.541 1.00 7.54 ? 134 LEU B N 1 ATOM 3467 C CA . LEU B 1 53 ? -40.828 43.185 16.174 1.00 6.94 ? 134 LEU B CA 1 ATOM 3468 C C . LEU B 1 53 ? -41.517 43.589 17.468 1.00 6.98 ? 134 LEU B C 1 ATOM 3469 O O . LEU B 1 53 ? -40.857 43.965 18.439 1.00 7.24 ? 134 LEU B O 1 ATOM 3470 C CB . LEU B 1 53 ? -39.731 42.166 16.477 1.00 7.60 ? 134 LEU B CB 1 ATOM 3471 C CG . LEU B 1 53 ? -38.992 41.585 15.276 1.00 9.04 ? 134 LEU B CG 1 ATOM 3472 C CD1 . LEU B 1 53 ? -37.889 40.641 15.736 1.00 9.69 ? 134 LEU B CD1 1 ATOM 3473 C CD2 . LEU B 1 53 ? -39.978 40.879 14.354 1.00 10.37 ? 134 LEU B CD2 1 ATOM 3474 N N . THR B 1 54 ? -42.844 43.529 17.491 1.00 7.07 ? 135 THR B N 1 ATOM 3475 C CA . THR B 1 54 ? -43.557 43.837 18.722 1.00 6.22 ? 135 THR B CA 1 ATOM 3476 C C . THR B 1 54 ? -43.363 42.704 19.713 1.00 7.40 ? 135 THR B C 1 ATOM 3477 O O . THR B 1 54 ? -42.894 41.625 19.352 1.00 7.38 ? 135 THR B O 1 ATOM 3478 C CB . THR B 1 54 ? -45.068 43.956 18.501 1.00 7.65 ? 135 THR B CB 1 ATOM 3479 O OG1 . THR B 1 54 ? -45.615 42.649 18.269 1.00 9.53 ? 135 THR B OG1 1 ATOM 3480 C CG2 . THR B 1 54 ? -45.385 44.884 17.329 1.00 8.23 ? 135 THR B CG2 1 ATOM 3481 N N . GLN B 1 55 ? -43.743 42.959 20.961 1.00 8.30 ? 136 GLN B N 1 ATOM 3482 C CA . GLN B 1 55 ? -43.879 41.907 21.959 1.00 7.27 ? 136 GLN B CA 1 ATOM 3483 C C . GLN B 1 55 ? -45.361 41.594 22.197 1.00 8.52 ? 136 GLN B C 1 ATOM 3484 O O . GLN B 1 55 ? -45.713 40.970 23.195 1.00 9.89 ? 136 GLN B O 1 ATOM 3485 C CB . GLN B 1 55 ? -43.211 42.323 23.272 1.00 9.15 ? 136 GLN B CB 1 ATOM 3486 C CG . GLN B 1 55 ? -41.701 42.501 23.171 1.00 9.59 ? 136 GLN B CG 1 ATOM 3487 C CD . GLN B 1 55 ? -40.920 41.203 23.349 1.00 9.90 ? 136 GLN B CD 1 ATOM 3488 O OE1 . GLN B 1 55 ? -39.696 41.220 23.509 1.00 12.03 ? 136 GLN B OE1 1 ATOM 3489 N NE2 . GLN B 1 55 ? -41.619 40.077 23.325 1.00 8.87 ? 136 GLN B NE2 1 ATOM 3490 N N . GLY B 1 56 ? -46.227 42.026 21.281 1.00 7.58 ? 137 GLY B N 1 ATOM 3491 C CA . GLY B 1 56 ? -47.654 41.765 21.415 1.00 8.97 ? 137 GLY B CA 1 ATOM 3492 C C . GLY B 1 56 ? -48.225 42.396 22.675 1.00 9.27 ? 137 GLY B C 1 ATOM 3493 O O . GLY B 1 56 ? -49.175 41.882 23.280 1.00 8.90 ? 137 GLY B O 1 ATOM 3494 N N . ALA B 1 57 ? -47.644 43.525 23.067 1.00 9.53 ? 138 ALA B N 1 ATOM 3495 C CA . ALA B 1 57 ? -48.033 44.210 24.290 1.00 9.07 ? 138 ALA B CA 1 ATOM 3496 C C . ALA B 1 57 ? -47.671 45.678 24.166 1.00 8.91 ? 138 ALA B C 1 ATOM 3497 O O . ALA B 1 57 ? -46.804 46.040 23.370 1.00 9.27 ? 138 ALA B O 1 ATOM 3498 C CB . ALA B 1 57 ? -47.314 43.592 25.488 1.00 10.82 ? 138 ALA B CB 1 ATOM 3499 N N . LEU B 1 58 ? -48.322 46.517 24.963 1.00 8.17 ? 139 LEU B N 1 ATOM 3500 C CA . LEU B 1 58 ? -48.081 47.953 24.926 1.00 8.22 ? 139 LEU B CA 1 ATOM 3501 C C . LEU B 1 58 ? -47.239 48.432 26.104 1.00 7.99 ? 139 LEU B C 1 ATOM 3502 O O . LEU B 1 58 ? -47.252 47.832 27.190 1.00 8.61 ? 139 LEU B O 1 ATOM 3503 C CB . LEU B 1 58 ? -49.407 48.714 24.913 1.00 7.48 ? 139 LEU B CB 1 ATOM 3504 C CG . LEU B 1 58 ? -50.374 48.368 23.782 1.00 7.67 ? 139 LEU B CG 1 ATOM 3505 C CD1 . LEU B 1 58 ? -51.538 49.344 23.821 1.00 9.77 ? 139 LEU B CD1 1 ATOM 3506 C CD2 . LEU B 1 58 ? -49.673 48.416 22.428 1.00 8.97 ? 139 LEU B CD2 1 ATOM 3507 N N . LEU B 1 59 ? -46.507 49.518 25.877 1.00 7.66 ? 140 LEU B N 1 ATOM 3508 C CA . LEU B 1 59 ? -45.742 50.170 26.932 1.00 7.82 ? 140 LEU B CA 1 ATOM 3509 C C . LEU B 1 59 ? -46.632 50.608 28.090 1.00 8.74 ? 140 LEU B C 1 ATOM 3510 O O . LEU B 1 59 ? -47.770 51.040 27.887 1.00 9.15 ? 140 LEU B O 1 ATOM 3511 C CB . LEU B 1 59 ? -45.006 51.381 26.367 1.00 7.92 ? 140 LEU B CB 1 ATOM 3512 C CG . LEU B 1 59 ? -43.739 51.078 25.563 1.00 8.41 ? 140 LEU B CG 1 ATOM 3513 C CD1 . LEU B 1 59 ? -43.265 52.334 24.831 1.00 9.43 ? 140 LEU B CD1 1 ATOM 3514 C CD2 . LEU B 1 59 ? -42.646 50.527 26.478 1.00 8.83 ? 140 LEU B CD2 1 ATOM 3515 N N . ASN B 1 60 ? -46.096 50.498 29.305 1.00 7.82 ? 141 ASN B N 1 ATOM 3516 C CA . ASN B 1 60 ? -46.808 50.887 30.523 1.00 8.24 ? 141 ASN B CA 1 ATOM 3517 C C . ASN B 1 60 ? -47.996 49.990 30.850 1.00 8.56 ? 141 ASN B C 1 ATOM 3518 O O . ASN B 1 60 ? -48.869 50.363 31.631 1.00 11.74 ? 141 ASN B O 1 ATOM 3519 C CB . ASN B 1 60 ? -47.227 52.364 30.488 1.00 9.33 ? 141 ASN B CB 1 ATOM 3520 C CG . ASN B 1 60 ? -46.487 53.196 31.516 1.00 11.08 ? 141 ASN B CG 1 ATOM 3521 O OD1 . ASN B 1 60 ? -45.844 52.654 32.418 1.00 12.38 ? 141 ASN B OD1 1 ATOM 3522 N ND2 . ASN B 1 60 ? -46.571 54.518 31.389 1.00 12.94 ? 141 ASN B ND2 1 ATOM 3523 N N . ASP B 1 61 ? -48.015 48.801 30.257 1.00 8.68 ? 142 ASP B N 1 ATOM 3524 C CA . ASP B 1 61 ? -49.025 47.798 30.581 1.00 8.77 ? 142 ASP B CA 1 ATOM 3525 C C . ASP B 1 61 ? -48.359 46.574 31.198 1.00 9.30 ? 142 ASP B C 1 ATOM 3526 O O . ASP B 1 61 ? -47.184 46.312 30.955 1.00 9.26 ? 142 ASP B O 1 ATOM 3527 C CB . ASP B 1 61 ? -49.802 47.377 29.334 1.00 9.83 ? 142 ASP B CB 1 ATOM 3528 C CG . ASP B 1 61 ? -50.855 46.330 29.639 1.00 10.82 ? 142 ASP B CG 1 ATOM 3529 O OD1 . ASP B 1 61 ? -51.863 46.677 30.295 1.00 11.66 ? 142 ASP B OD1 1 ATOM 3530 O OD2 . ASP B 1 61 ? -50.671 45.163 29.231 1.00 10.92 ? 142 ASP B OD2 1 ATOM 3531 N N . LYS B 1 62 ? -49.117 45.816 31.984 1.00 9.50 ? 143 LYS B N 1 ATOM 3532 C CA . LYS B 1 62 ? -48.556 44.664 32.681 1.00 9.48 ? 143 LYS B CA 1 ATOM 3533 C C . LYS B 1 62 ? -48.024 43.598 31.726 1.00 9.49 ? 143 LYS B C 1 ATOM 3534 O O . LYS B 1 62 ? -47.162 42.806 32.099 1.00 11.15 ? 143 LYS B O 1 ATOM 3535 C CB . LYS B 1 62 ? -49.583 44.052 33.631 1.00 10.26 ? 143 LYS B CB 1 ATOM 3536 C CG . LYS B 1 62 ? -50.782 43.424 32.940 1.00 10.89 ? 143 LYS B CG 1 ATOM 3537 C CD . LYS B 1 62 ? -51.743 42.874 33.977 1.00 11.90 ? 143 LYS B CD 1 ATOM 3538 C CE . LYS B 1 62 ? -52.829 42.017 33.358 1.00 13.22 ? 143 LYS B CE 1 ATOM 3539 N NZ . LYS B 1 62 ? -53.672 41.409 34.430 1.00 14.57 ? 143 LYS B NZ 1 ATOM 3540 N N . HIS B 1 63 ? -48.537 43.569 30.501 1.00 9.34 ? 144 HIS B N 1 ATOM 3541 C CA . HIS B 1 63 ? -48.072 42.578 29.536 1.00 8.81 ? 144 HIS B CA 1 ATOM 3542 C C . HIS B 1 63 ? -46.672 42.901 29.023 1.00 9.66 ? 144 HIS B C 1 ATOM 3543 O O . HIS B 1 63 ? -46.053 42.095 28.323 1.00 10.45 ? 144 HIS B O 1 ATOM 3544 C CB . HIS B 1 63 ? -49.069 42.414 28.390 1.00 9.39 ? 144 HIS B CB 1 ATOM 3545 C CG . HIS B 1 63 ? -50.356 41.773 28.809 1.00 9.73 ? 144 HIS B CG 1 ATOM 3546 N ND1 . HIS B 1 63 ? -51.425 42.498 29.290 1.00 10.29 ? 144 HIS B ND1 1 ATOM 3547 C CD2 . HIS B 1 63 ? -50.735 40.473 28.844 1.00 10.35 ? 144 HIS B CD2 1 ATOM 3548 C CE1 . HIS B 1 63 ? -52.412 41.671 29.594 1.00 11.07 ? 144 HIS B CE1 1 ATOM 3549 N NE2 . HIS B 1 63 ? -52.018 40.438 29.330 1.00 11.55 ? 144 HIS B NE2 1 ATOM 3550 N N . SER B 1 64 ? -46.163 44.074 29.388 1.00 8.60 ? 145 SER B N 1 ATOM 3551 C CA . SER B 1 64 ? -44.789 44.429 29.039 1.00 8.91 ? 145 SER B CA 1 ATOM 3552 C C . SER B 1 64 ? -43.791 43.763 29.990 1.00 8.25 ? 145 SER B C 1 ATOM 3553 O O . SER B 1 64 ? -42.581 43.837 29.789 1.00 8.82 ? 145 SER B O 1 ATOM 3554 C CB . SER B 1 64 ? -44.590 45.947 29.037 1.00 8.77 ? 145 SER B CB 1 ATOM 3555 O OG . SER B 1 64 ? -44.583 46.479 30.352 1.00 9.07 ? 145 SER B OG 1 ATOM 3556 N N . ASN B 1 65 ? -44.304 43.114 31.030 1.00 8.82 ? 146 ASN B N 1 ATOM 3557 C CA . ASN B 1 65 ? -43.446 42.412 31.982 1.00 9.48 ? 146 ASN B CA 1 ATOM 3558 C C . ASN B 1 65 ? -42.632 41.334 31.265 1.00 11.39 ? 146 ASN B C 1 ATOM 3559 O O . ASN B 1 65 ? -43.155 40.625 30.410 1.00 11.65 ? 146 ASN B O 1 ATOM 3560 C CB . ASN B 1 65 ? -44.305 41.787 33.087 1.00 10.97 ? 146 ASN B CB 1 ATOM 3561 C CG . ASN B 1 65 ? -43.587 41.696 34.426 1.00 13.64 ? 146 ASN B CG 1 ATOM 3562 O OD1 . ASN B 1 65 ? -42.360 41.811 34.506 1.00 12.18 ? 146 ASN B OD1 1 ATOM 3563 N ND2 . ASN B 1 65 ? -44.369 41.484 35.490 1.00 15.83 ? 146 ASN B ND2 1 ATOM 3564 N N . ASN B 1 66 ? -41.349 41.236 31.599 1.00 10.26 ? 147 ASN B N 1 ATOM 3565 C CA . ASN B 1 66 ? -40.467 40.198 31.052 1.00 11.33 ? 147 ASN B CA 1 ATOM 3566 C C . ASN B 1 66 ? -40.202 40.300 29.550 1.00 10.61 ? 147 ASN B C 1 ATOM 3567 O O . ASN B 1 66 ? -39.849 39.305 28.913 1.00 12.32 ? 147 ASN B O 1 ATOM 3568 C CB . ASN B 1 66 ? -40.995 38.797 31.386 1.00 13.88 ? 147 ASN B CB 1 ATOM 3569 C CG . ASN B 1 66 ? -39.918 37.725 31.279 1.00 18.16 ? 147 ASN B CG 1 ATOM 3570 O OD1 . ASN B 1 66 ? -40.200 36.572 30.938 1.00 22.72 ? 147 ASN B OD1 1 ATOM 3571 N ND2 . ASN B 1 66 ? -38.677 38.101 31.570 1.00 18.49 ? 147 ASN B ND2 1 ATOM 3572 N N . THR B 1 67 ? -40.355 41.494 28.984 1.00 9.54 ? 148 THR B N 1 ATOM 3573 C CA . THR B 1 67 ? -40.121 41.664 27.552 1.00 8.99 ? 148 THR B CA 1 ATOM 3574 C C . THR B 1 67 ? -38.637 41.741 27.163 1.00 10.11 ? 148 THR B C 1 ATOM 3575 O O . THR B 1 67 ? -38.314 41.954 25.997 1.00 9.74 ? 148 THR B O 1 ATOM 3576 C CB . THR B 1 67 ? -40.905 42.858 26.955 1.00 9.47 ? 148 THR B CB 1 ATOM 3577 O OG1 . THR B 1 67 ? -40.797 43.995 27.821 1.00 9.57 ? 148 THR B OG1 1 ATOM 3578 C CG2 . THR B 1 67 ? -42.376 42.485 26.784 1.00 8.95 ? 148 THR B CG2 1 ATOM 3579 N N . VAL B 1 68 ? -37.736 41.551 28.123 1.00 9.57 ? 149 VAL B N 1 ATOM 3580 C CA . VAL B 1 68 ? -36.334 41.358 27.763 1.00 9.98 ? 149 VAL B CA 1 ATOM 3581 C C . VAL B 1 68 ? -36.207 40.053 26.964 1.00 9.91 ? 149 VAL B C 1 ATOM 3582 O O . VAL B 1 68 ? -35.266 39.877 26.188 1.00 11.75 ? 149 VAL B O 1 ATOM 3583 C CB . VAL B 1 68 ? -35.416 41.326 29.008 1.00 11.44 ? 149 VAL B CB 1 ATOM 3584 C CG1 . VAL B 1 68 ? -35.599 40.028 29.776 1.00 12.01 ? 149 VAL B CG1 1 ATOM 3585 C CG2 . VAL B 1 68 ? -33.944 41.542 28.617 1.00 11.88 ? 149 VAL B CG2 1 ATOM 3586 N N . LYS B 1 69 ? -37.177 39.155 27.139 1.00 9.26 ? 150 LYS B N 1 ATOM 3587 C CA . LYS B 1 69 ? -37.153 37.847 26.484 1.00 9.14 ? 150 LYS B CA 1 ATOM 3588 C C . LYS B 1 69 ? -37.245 37.973 24.962 1.00 8.79 ? 150 LYS B C 1 ATOM 3589 O O . LYS B 1 69 ? -38.039 38.761 24.444 1.00 10.18 ? 150 LYS B O 1 ATOM 3590 C CB . LYS B 1 69 ? -38.281 36.957 27.011 1.00 13.38 ? 150 LYS B CB 1 ATOM 3591 C CG . LYS B 1 69 ? -38.281 35.553 26.416 1.00 18.63 ? 150 LYS B CG 1 ATOM 3592 C CD . LYS B 1 69 ? -39.295 34.637 27.101 1.00 23.82 ? 150 LYS B CD 1 ATOM 3593 C CE . LYS B 1 69 ? -39.111 33.183 26.647 1.00 27.65 ? 150 LYS B CE 1 ATOM 3594 N NZ . LYS B 1 69 ? -39.968 32.228 27.406 1.00 31.34 ? 150 LYS B NZ 1 ATOM 3595 N N . ASP B 1 70 ? -36.437 37.186 24.253 1.00 8.83 ? 151 ASP B N 1 ATOM 3596 C CA . ASP B 1 70 ? -36.287 37.355 22.808 1.00 8.12 ? 151 ASP B CA 1 ATOM 3597 C C . ASP B 1 70 ? -37.398 36.758 21.961 1.00 8.57 ? 151 ASP B C 1 ATOM 3598 O O . ASP B 1 70 ? -37.739 37.309 20.917 1.00 9.53 ? 151 ASP B O 1 ATOM 3599 C CB . ASP B 1 70 ? -34.954 36.782 22.333 1.00 9.27 ? 151 ASP B CB 1 ATOM 3600 C CG . ASP B 1 70 ? -33.787 37.677 22.673 1.00 11.06 ? 151 ASP B CG 1 ATOM 3601 O OD1 . ASP B 1 70 ? -33.838 38.878 22.322 1.00 11.09 ? 151 ASP B OD1 1 ATOM 3602 O OD2 . ASP B 1 70 ? -32.819 37.181 23.286 1.00 13.74 ? 151 ASP B OD2 1 ATOM 3603 N N . ARG B 1 71 ? -37.941 35.622 22.385 1.00 8.57 ? 152 ARG B N 1 ATOM 3604 C CA . ARG B 1 71 ? -38.865 34.886 21.526 1.00 8.24 ? 152 ARG B CA 1 ATOM 3605 C C . ARG B 1 71 ? -40.129 34.456 22.260 1.00 8.27 ? 152 ARG B C 1 ATOM 3606 O O . ARG B 1 71 ? -40.067 33.985 23.394 1.00 11.32 ? 152 ARG B O 1 ATOM 3607 C CB . ARG B 1 71 ? -38.150 33.678 20.898 1.00 8.89 ? 152 ARG B CB 1 ATOM 3608 C CG . ARG B 1 71 ? -36.887 34.062 20.120 1.00 8.76 ? 152 ARG B CG 1 ATOM 3609 C CD . ARG B 1 71 ? -36.127 32.846 19.587 1.00 8.48 ? 152 ARG B CD 1 ATOM 3610 N NE . ARG B 1 71 ? -35.678 31.971 20.669 1.00 9.25 ? 152 ARG B NE 1 ATOM 3611 C CZ . ARG B 1 71 ? -34.642 32.230 21.463 1.00 10.75 ? 152 ARG B CZ 1 ATOM 3612 N NH1 . ARG B 1 71 ? -33.933 33.341 21.296 1.00 10.43 ? 152 ARG B NH1 1 ATOM 3613 N NH2 . ARG B 1 71 ? -34.312 31.376 22.427 1.00 11.04 ? 152 ARG B NH2 1 ATOM 3614 N N . SER B 1 72 ? -41.275 34.639 21.609 1.00 8.96 ? 153 SER B N 1 ATOM 3615 C CA . SER B 1 72 ? -42.554 34.194 22.146 1.00 7.80 ? 153 SER B CA 1 ATOM 3616 C C . SER B 1 72 ? -43.550 34.078 21.004 1.00 7.77 ? 153 SER B C 1 ATOM 3617 O O . SER B 1 72 ? -43.282 34.546 19.898 1.00 9.01 ? 153 SER B O 1 ATOM 3618 C CB . SER B 1 72 ? -43.092 35.194 23.168 1.00 8.80 ? 153 SER B CB 1 ATOM 3619 O OG . SER B 1 72 ? -43.752 36.263 22.516 1.00 10.37 ? 153 SER B OG 1 ATOM 3620 N N . PRO B 1 73 ? -44.711 33.461 21.270 1.00 8.80 ? 154 PRO B N 1 ATOM 3621 C CA . PRO B 1 73 ? -45.736 33.359 20.228 1.00 8.84 ? 154 PRO B CA 1 ATOM 3622 C C . PRO B 1 73 ? -46.438 34.689 19.978 1.00 8.87 ? 154 PRO B C 1 ATOM 3623 O O . PRO B 1 73 ? -47.242 34.768 19.052 1.00 9.39 ? 154 PRO B O 1 ATOM 3624 C CB . PRO B 1 73 ? -46.745 32.354 20.810 1.00 9.34 ? 154 PRO B CB 1 ATOM 3625 C CG . PRO B 1 73 ? -46.041 31.686 21.966 1.00 10.91 ? 154 PRO B CG 1 ATOM 3626 C CD . PRO B 1 73 ? -45.061 32.696 22.479 1.00 10.53 ? 154 PRO B CD 1 ATOM 3627 N N . TYR B 1 74 ? -46.139 35.709 20.782 1.00 7.06 ? 155 TYR B N 1 ATOM 3628 C CA . TYR B 1 74 ? -46.883 36.968 20.727 1.00 7.91 ? 155 TYR B CA 1 ATOM 3629 C C . TYR B 1 74 ? -46.172 38.045 19.930 1.00 8.45 ? 155 TYR B C 1 ATOM 3630 O O . TYR B 1 74 ? -46.728 39.117 19.701 1.00 10.35 ? 155 TYR B O 1 ATOM 3631 C CB . TYR B 1 74 ? -47.173 37.485 22.141 1.00 8.33 ? 155 TYR B CB 1 ATOM 3632 C CG . TYR B 1 74 ? -47.500 36.376 23.098 1.00 7.65 ? 155 TYR B CG 1 ATOM 3633 C CD1 . TYR B 1 74 ? -48.607 35.564 22.888 1.00 9.00 ? 155 TYR B CD1 1 ATOM 3634 C CD2 . TYR B 1 74 ? -46.695 36.120 24.198 1.00 9.51 ? 155 TYR B CD2 1 ATOM 3635 C CE1 . TYR B 1 74 ? -48.905 34.529 23.752 1.00 9.64 ? 155 TYR B CE1 1 ATOM 3636 C CE2 . TYR B 1 74 ? -46.984 35.087 25.066 1.00 10.59 ? 155 TYR B CE2 1 ATOM 3637 C CZ . TYR B 1 74 ? -48.092 34.299 24.841 1.00 11.43 ? 155 TYR B CZ 1 ATOM 3638 O OH . TYR B 1 74 ? -48.384 33.268 25.703 1.00 15.44 ? 155 TYR B OH 1 ATOM 3639 N N . ARG B 1 75 ? -44.937 37.772 19.527 1.00 8.10 ? 156 ARG B N 1 ATOM 3640 C CA . ARG B 1 75 ? -44.178 38.742 18.748 1.00 7.81 ? 156 ARG B CA 1 ATOM 3641 C C . ARG B 1 75 ? -44.631 38.739 17.291 1.00 7.74 ? 156 ARG B C 1 ATOM 3642 O O . ARG B 1 75 ? -44.892 37.682 16.708 1.00 8.76 ? 156 ARG B O 1 ATOM 3643 C CB . ARG B 1 75 ? -42.677 38.473 18.852 1.00 6.08 ? 156 ARG B CB 1 ATOM 3644 C CG . ARG B 1 75 ? -42.174 38.445 20.292 1.00 5.82 ? 156 ARG B CG 1 ATOM 3645 C CD . ARG B 1 75 ? -40.693 38.796 20.364 1.00 6.53 ? 156 ARG B CD 1 ATOM 3646 N NE . ARG B 1 75 ? -40.463 40.207 20.062 1.00 7.15 ? 156 ARG B NE 1 ATOM 3647 C CZ . ARG B 1 75 ? -39.274 40.797 20.132 1.00 8.09 ? 156 ARG B CZ 1 ATOM 3648 N NH1 . ARG B 1 75 ? -38.209 40.088 20.482 1.00 9.21 ? 156 ARG B NH1 1 ATOM 3649 N NH2 . ARG B 1 75 ? -39.146 42.093 19.855 1.00 8.83 ? 156 ARG B NH2 1 ATOM 3650 N N . ALA B 1 76 ? -44.742 39.930 16.716 1.00 6.48 ? 157 ALA B N 1 ATOM 3651 C CA . ALA B 1 76 ? -45.152 40.075 15.328 1.00 7.91 ? 157 ALA B CA 1 ATOM 3652 C C . ALA B 1 76 ? -44.303 41.127 14.639 1.00 6.86 ? 157 ALA B C 1 ATOM 3653 O O . ALA B 1 76 ? -43.884 42.113 15.256 1.00 8.57 ? 157 ALA B O 1 ATOM 3654 C CB . ALA B 1 76 ? -46.627 40.461 15.237 1.00 8.91 ? 157 ALA B CB 1 ATOM 3655 N N . LEU B 1 77 ? -44.046 40.907 13.357 1.00 6.99 ? 158 LEU B N 1 ATOM 3656 C CA . LEU B 1 77 ? -43.452 41.937 12.523 1.00 7.52 ? 158 LEU B CA 1 ATOM 3657 C C . LEU B 1 77 ? -44.562 42.878 12.072 1.00 7.84 ? 158 LEU B C 1 ATOM 3658 O O . LEU B 1 77 ? -45.559 42.432 11.507 1.00 7.07 ? 158 LEU B O 1 ATOM 3659 C CB . LEU B 1 77 ? -42.780 41.314 11.298 1.00 7.29 ? 158 LEU B CB 1 ATOM 3660 C CG . LEU B 1 77 ? -42.142 42.313 10.329 1.00 7.62 ? 158 LEU B CG 1 ATOM 3661 C CD1 . LEU B 1 77 ? -40.924 42.974 10.962 1.00 7.85 ? 158 LEU B CD1 1 ATOM 3662 C CD2 . LEU B 1 77 ? -41.770 41.640 9.008 1.00 8.16 ? 158 LEU B CD2 1 ATOM 3663 N N . MET B 1 78 ? -44.392 44.172 12.328 1.00 7.75 ? 159 MET B N 1 ATOM 3664 C CA . MET B 1 78 ? -45.337 45.177 11.862 1.00 7.31 ? 159 MET B CA 1 ATOM 3665 C C . MET B 1 78 ? -44.566 46.359 11.296 1.00 7.37 ? 159 MET B C 1 ATOM 3666 O O . MET B 1 78 ? -43.345 46.428 11.435 1.00 8.77 ? 159 MET B O 1 ATOM 3667 C CB . MET B 1 78 ? -46.250 45.649 12.998 1.00 8.17 ? 159 MET B CB 1 ATOM 3668 C CG . MET B 1 78 ? -46.926 44.530 13.767 1.00 8.16 ? 159 MET B CG 1 ATOM 3669 S SD . MET B 1 78 ? -48.129 45.197 14.933 1.00 11.79 ? 159 MET B SD 1 ATOM 3670 C CE . MET B 1 78 ? -49.609 45.176 13.933 1.00 15.54 ? 159 MET B CE 1 ATOM 3671 N N . SER B 1 79 ? -45.268 47.288 10.656 1.00 7.43 ? 160 SER B N 1 ATOM 3672 C CA . SER B 1 79 ? -44.591 48.470 10.121 1.00 7.65 ? 160 SER B CA 1 ATOM 3673 C C . SER B 1 79 ? -45.425 49.739 10.249 1.00 7.99 ? 160 SER B C 1 ATOM 3674 O O . SER B 1 79 ? -46.652 49.681 10.365 1.00 8.76 ? 160 SER B O 1 ATOM 3675 C CB . SER B 1 79 ? -44.191 48.256 8.657 1.00 8.90 ? 160 SER B CB 1 ATOM 3676 O OG . SER B 1 79 ? -45.330 48.187 7.816 1.00 8.62 ? 160 SER B OG 1 ATOM 3677 N N . VAL B 1 80 ? -44.743 50.880 10.236 1.00 7.29 ? 161 VAL B N 1 ATOM 3678 C CA . VAL B 1 80 ? -45.395 52.187 10.194 1.00 6.56 ? 161 VAL B CA 1 ATOM 3679 C C . VAL B 1 80 ? -44.616 53.058 9.216 1.00 7.86 ? 161 VAL B C 1 ATOM 3680 O O . VAL B 1 80 ? -43.502 52.715 8.833 1.00 8.88 ? 161 VAL B O 1 ATOM 3681 C CB . VAL B 1 80 ? -45.409 52.891 11.578 1.00 6.70 ? 161 VAL B CB 1 ATOM 3682 C CG1 . VAL B 1 80 ? -46.274 52.129 12.576 1.00 7.58 ? 161 VAL B CG1 1 ATOM 3683 C CG2 . VAL B 1 80 ? -43.987 53.087 12.103 1.00 7.69 ? 161 VAL B CG2 1 ATOM 3684 N N . PRO B 1 81 ? -45.196 54.190 8.802 1.00 8.88 ? 162 PRO B N 1 ATOM 3685 C CA . PRO B 1 81 ? -44.426 55.102 7.953 1.00 10.87 ? 162 PRO B CA 1 ATOM 3686 C C . PRO B 1 81 ? -43.186 55.598 8.696 1.00 11.46 ? 162 PRO B C 1 ATOM 3687 O O . PRO B 1 81 ? -43.197 55.709 9.923 1.00 11.67 ? 162 PRO B O 1 ATOM 3688 C CB . PRO B 1 81 ? -45.395 56.259 7.712 1.00 12.29 ? 162 PRO B CB 1 ATOM 3689 C CG . PRO B 1 81 ? -46.760 55.680 7.965 1.00 12.42 ? 162 PRO B CG 1 ATOM 3690 C CD . PRO B 1 81 ? -46.567 54.672 9.049 1.00 10.36 ? 162 PRO B CD 1 ATOM 3691 N N . LEU B 1 82 ? -42.127 55.890 7.956 1.00 11.53 ? 163 LEU B N 1 ATOM 3692 C CA . LEU B 1 82 ? -40.874 56.324 8.564 1.00 10.89 ? 163 LEU B CA 1 ATOM 3693 C C . LEU B 1 82 ? -41.075 57.544 9.467 1.00 12.16 ? 163 LEU B C 1 ATOM 3694 O O . LEU B 1 82 ? -41.606 58.563 9.032 1.00 13.11 ? 163 LEU B O 1 ATOM 3695 C CB . LEU B 1 82 ? -39.856 56.644 7.471 1.00 13.18 ? 163 LEU B CB 1 ATOM 3696 C CG . LEU B 1 82 ? -38.459 57.056 7.927 1.00 15.26 ? 163 LEU B CG 1 ATOM 3697 C CD1 . LEU B 1 82 ? -37.880 55.996 8.843 1.00 17.41 ? 163 LEU B CD1 1 ATOM 3698 C CD2 . LEU B 1 82 ? -37.562 57.280 6.719 1.00 16.25 ? 163 LEU B CD2 1 ATOM 3699 N N . GLY B 1 83 ? -40.660 57.431 10.726 1.00 11.00 ? 164 GLY B N 1 ATOM 3700 C CA . GLY B 1 83 ? -40.766 58.538 11.665 1.00 10.96 ? 164 GLY B CA 1 ATOM 3701 C C . GLY B 1 83 ? -41.923 58.408 12.641 1.00 10.91 ? 164 GLY B C 1 ATOM 3702 O O . GLY B 1 83 ? -41.948 59.078 13.675 1.00 11.25 ? 164 GLY B O 1 ATOM 3703 N N . SER B 1 84 A -42.892 57.558 12.312 1.00 10.34 ? 164 SER B N 1 ATOM 3704 C CA . SER B 1 84 A -44.020 57.321 13.206 1.00 9.90 ? 164 SER B CA 1 ATOM 3705 C C . SER B 1 84 A -43.612 56.431 14.372 1.00 10.61 ? 164 SER B C 1 ATOM 3706 O O . SER B 1 84 A -42.709 55.598 14.241 1.00 11.33 ? 164 SER B O 1 ATOM 3707 C CB . SER B 1 84 A -45.189 56.684 12.448 1.00 10.99 ? 164 SER B CB 1 ATOM 3708 O OG . SER B 1 84 A -45.811 57.626 11.588 1.00 12.59 ? 164 SER B OG 1 ATOM 3709 N N . SER B 1 85 ? -44.271 56.612 15.514 1.00 9.85 ? 165 SER B N 1 ATOM 3710 C CA . SER B 1 85 ? -44.090 55.692 16.629 1.00 8.79 ? 165 SER B CA 1 ATOM 3711 C C . SER B 1 85 ? -44.692 54.349 16.227 1.00 9.14 ? 165 SER B C 1 ATOM 3712 O O . SER B 1 85 ? -45.598 54.301 15.392 1.00 8.71 ? 165 SER B O 1 ATOM 3713 C CB . SER B 1 85 ? -44.779 56.220 17.887 1.00 9.90 ? 165 SER B CB 1 ATOM 3714 O OG . SER B 1 85 ? -46.177 56.348 17.684 1.00 11.62 ? 165 SER B OG 1 ATOM 3715 N N . PRO B 1 86 ? -44.184 53.251 16.805 1.00 8.94 ? 166 PRO B N 1 ATOM 3716 C CA . PRO B 1 86 ? -44.756 51.932 16.510 1.00 8.63 ? 166 PRO B CA 1 ATOM 3717 C C . PRO B 1 86 ? -46.029 51.737 17.324 1.00 9.39 ? 166 PRO B C 1 ATOM 3718 O O . PRO B 1 86 ? -46.076 50.915 18.237 1.00 9.70 ? 166 PRO B O 1 ATOM 3719 C CB . PRO B 1 86 ? -43.663 50.973 16.983 1.00 8.85 ? 166 PRO B CB 1 ATOM 3720 C CG . PRO B 1 86 ? -42.975 51.713 18.098 1.00 9.09 ? 166 PRO B CG 1 ATOM 3721 C CD . PRO B 1 86 ? -43.054 53.176 17.751 1.00 8.77 ? 166 PRO B CD 1 ATOM 3722 N N . ASN B 1 87 ? -47.060 52.504 16.995 1.00 8.94 ? 167 ASN B N 1 ATOM 3723 C CA . ASN B 1 87 ? -48.237 52.571 17.854 1.00 8.84 ? 167 ASN B CA 1 ATOM 3724 C C . ASN B 1 87 ? -49.366 51.628 17.455 1.00 8.93 ? 167 ASN B C 1 ATOM 3725 O O . ASN B 1 87 ? -49.369 51.066 16.361 1.00 9.33 ? 167 ASN B O 1 ATOM 3726 C CB . ASN B 1 87 ? -48.734 54.018 17.972 1.00 9.73 ? 167 ASN B CB 1 ATOM 3727 C CG . ASN B 1 87 ? -49.284 54.557 16.667 1.00 9.52 ? 167 ASN B CG 1 ATOM 3728 O OD1 . ASN B 1 87 ? -50.363 54.158 16.226 1.00 10.20 ? 167 ASN B OD1 1 ATOM 3729 N ND2 . ASN B 1 87 ? -48.551 55.476 16.048 1.00 9.32 ? 167 ASN B ND2 1 ATOM 3730 N N . ALA B 1 88 ? -50.328 51.469 18.357 1.00 8.59 ? 168 ALA B N 1 ATOM 3731 C CA . ALA B 1 88 ? -51.363 50.447 18.218 1.00 8.68 ? 168 ALA B CA 1 ATOM 3732 C C . ALA B 1 88 ? -52.336 50.692 17.068 1.00 9.55 ? 168 ALA B C 1 ATOM 3733 O O . ALA B 1 88 ? -53.042 49.774 16.646 1.00 11.18 ? 168 ALA B O 1 ATOM 3734 C CB . ALA B 1 88 ? -52.135 50.313 19.524 1.00 9.70 ? 168 ALA B CB 1 ATOM 3735 N N . TYR B 1 89 ? -52.388 51.917 16.558 1.00 8.56 ? 169 TYR B N 1 ATOM 3736 C CA . TYR B 1 89 ? -53.460 52.265 15.625 1.00 7.97 ? 169 TYR B CA 1 ATOM 3737 C C . TYR B 1 89 ? -52.975 52.560 14.206 1.00 10.46 ? 169 TYR B C 1 ATOM 3738 O O . TYR B 1 89 ? -53.764 52.524 13.261 1.00 12.62 ? 169 TYR B O 1 ATOM 3739 C CB . TYR B 1 89 ? -54.312 53.409 16.197 1.00 8.29 ? 169 TYR B CB 1 ATOM 3740 C CG . TYR B 1 89 ? -54.706 53.134 17.635 1.00 7.52 ? 169 TYR B CG 1 ATOM 3741 C CD1 . TYR B 1 89 ? -55.410 51.982 17.965 1.00 7.45 ? 169 TYR B CD1 1 ATOM 3742 C CD2 . TYR B 1 89 ? -54.348 54.002 18.663 1.00 7.08 ? 169 TYR B CD2 1 ATOM 3743 C CE1 . TYR B 1 89 ? -55.759 51.703 19.271 1.00 7.24 ? 169 TYR B CE1 1 ATOM 3744 C CE2 . TYR B 1 89 ? -54.694 53.736 19.977 1.00 7.62 ? 169 TYR B CE2 1 ATOM 3745 C CZ . TYR B 1 89 ? -55.399 52.580 20.275 1.00 7.63 ? 169 TYR B CZ 1 ATOM 3746 O OH . TYR B 1 89 ? -55.751 52.286 21.572 1.00 8.95 ? 169 TYR B OH 1 ATOM 3747 N N . GLN B 1 90 ? -51.682 52.837 14.059 1.00 9.66 ? 170 GLN B N 1 ATOM 3748 C CA . GLN B 1 90 ? -51.076 53.015 12.739 1.00 10.02 ? 170 GLN B CA 1 ATOM 3749 C C . GLN B 1 90 ? -50.339 51.767 12.265 1.00 9.80 ? 170 GLN B C 1 ATOM 3750 O O . GLN B 1 90 ? -50.091 51.605 11.071 1.00 11.01 ? 170 GLN B O 1 ATOM 3751 C CB . GLN B 1 90 ? -50.087 54.179 12.743 1.00 11.10 ? 170 GLN B CB 1 ATOM 3752 C CG . GLN B 1 90 ? -50.704 55.560 12.789 1.00 13.53 ? 170 GLN B CG 1 ATOM 3753 C CD . GLN B 1 90 ? -49.649 56.639 12.674 1.00 17.11 ? 170 GLN B CD 1 ATOM 3754 O OE1 . GLN B 1 90 ? -49.001 56.993 13.655 1.00 16.02 ? 170 GLN B OE1 1 ATOM 3755 N NE2 . GLN B 1 90 ? -49.450 57.147 11.464 1.00 21.02 ? 170 GLN B NE2 1 ATOM 3756 N N . ALA B 1 91 ? -49.966 50.899 13.201 1.00 9.61 ? 171 ALA B N 1 ATOM 3757 C CA . ALA B 1 91 ? -49.178 49.718 12.855 1.00 9.31 ? 171 ALA B CA 1 ATOM 3758 C C . ALA B 1 91 ? -49.874 48.832 11.824 1.00 9.47 ? 171 ALA B C 1 ATOM 3759 O O . ALA B 1 91 ? -51.061 48.504 11.956 1.00 12.35 ? 171 ALA B O 1 ATOM 3760 C CB . ALA B 1 91 ? -48.834 48.915 14.098 1.00 9.64 ? 171 ALA B CB 1 ATOM 3761 N N . LYS B 1 92 ? -49.123 48.451 10.797 1.00 8.28 ? 172 LYS B N 1 ATOM 3762 C CA . LYS B 1 92 ? -49.602 47.509 9.799 1.00 8.39 ? 172 LYS B CA 1 ATOM 3763 C C . LYS B 1 92 ? -49.021 46.133 10.084 1.00 8.15 ? 172 LYS B C 1 ATOM 3764 O O . LYS B 1 92 ? -47.803 45.977 10.156 1.00 8.88 ? 172 LYS B O 1 ATOM 3765 C CB . LYS B 1 92 ? -49.183 47.962 8.402 1.00 9.22 ? 172 LYS B CB 1 ATOM 3766 C CG . LYS B 1 92 ? -49.577 46.998 7.297 1.00 12.39 ? 172 LYS B CG 1 ATOM 3767 C CD . LYS B 1 92 ? -49.011 47.456 5.966 1.00 17.36 ? 172 LYS B CD 1 ATOM 3768 C CE . LYS B 1 92 ? -49.249 46.422 4.880 1.00 21.82 ? 172 LYS B CE 1 ATOM 3769 N NZ . LYS B 1 92 ? -48.487 46.764 3.649 1.00 26.45 ? 172 LYS B NZ 1 ATOM 3770 N N . PHE B 1 93 ? -49.884 45.135 10.243 1.00 8.07 ? 173 PHE B N 1 ATOM 3771 C CA . PHE B 1 93 ? -49.415 43.778 10.491 1.00 8.18 ? 173 PHE B CA 1 ATOM 3772 C C . PHE B 1 93 ? -48.724 43.211 9.255 1.00 9.25 ? 173 PHE B C 1 ATOM 3773 O O . PHE B 1 93 ? -49.280 43.262 8.152 1.00 10.91 ? 173 PHE B O 1 ATOM 3774 C CB . PHE B 1 93 ? -50.571 42.856 10.887 1.00 9.65 ? 173 PHE B CB 1 ATOM 3775 C CG . PHE B 1 93 ? -50.120 41.486 11.289 1.00 9.19 ? 173 PHE B CG 1 ATOM 3776 C CD1 . PHE B 1 93 ? -49.833 41.201 12.616 1.00 9.75 ? 173 PHE B CD1 1 ATOM 3777 C CD2 . PHE B 1 93 ? -49.942 40.493 10.337 1.00 9.78 ? 173 PHE B CD2 1 ATOM 3778 C CE1 . PHE B 1 93 ? -49.391 39.944 12.992 1.00 10.35 ? 173 PHE B CE1 1 ATOM 3779 C CE2 . PHE B 1 93 ? -49.503 39.230 10.707 1.00 10.57 ? 173 PHE B CE2 1 ATOM 3780 C CZ . PHE B 1 93 ? -49.222 38.959 12.041 1.00 10.63 ? 173 PHE B CZ 1 ATOM 3781 N N . GLU B 1 94 ? -47.523 42.662 9.445 1.00 8.73 ? 174 GLU B N 1 ATOM 3782 C CA . GLU B 1 94 ? -46.747 42.083 8.343 1.00 8.65 ? 174 GLU B CA 1 ATOM 3783 C C . GLU B 1 94 ? -46.597 40.559 8.437 1.00 9.29 ? 174 GLU B C 1 ATOM 3784 O O . GLU B 1 94 ? -46.807 39.853 7.450 1.00 10.60 ? 174 GLU B O 1 ATOM 3785 C CB . GLU B 1 94 ? -45.359 42.739 8.244 1.00 9.74 ? 174 GLU B CB 1 ATOM 3786 C CG . GLU B 1 94 ? -45.376 44.267 8.128 1.00 10.53 ? 174 GLU B CG 1 ATOM 3787 C CD . GLU B 1 94 ? -45.712 44.766 6.731 1.00 12.95 ? 174 GLU B CD 1 ATOM 3788 O OE1 . GLU B 1 94 ? -45.932 43.932 5.824 1.00 15.84 ? 174 GLU B OE1 1 ATOM 3789 O OE2 . GLU B 1 94 ? -45.751 46.001 6.537 1.00 12.44 ? 174 GLU B OE2 1 ATOM 3790 N N . SER B 1 95 ? -46.231 40.053 9.614 1.00 8.34 ? 175 SER B N 1 ATOM 3791 C CA . SER B 1 95 ? -46.003 38.621 9.785 1.00 7.86 ? 175 SER B CA 1 ATOM 3792 C C . SER B 1 95 ? -45.946 38.263 11.263 1.00 7.48 ? 175 SER B C 1 ATOM 3793 O O . SER B 1 95 ? -45.594 39.103 12.080 1.00 8.28 ? 175 SER B O 1 ATOM 3794 C CB . SER B 1 95 ? -44.671 38.229 9.127 1.00 7.81 ? 175 SER B CB 1 ATOM 3795 O OG . SER B 1 95 ? -44.414 36.832 9.237 1.00 8.60 ? 175 SER B OG 1 ATOM 3796 N N . VAL B 1 96 ? -46.297 37.028 11.615 1.00 7.80 ? 176 VAL B N 1 ATOM 3797 C CA . VAL B 1 96 ? -45.943 36.525 12.938 1.00 8.48 ? 176 VAL B CA 1 ATOM 3798 C C . VAL B 1 96 ? -44.425 36.373 12.892 1.00 8.33 ? 176 VAL B C 1 ATOM 3799 O O . VAL B 1 96 ? -43.893 35.898 11.894 1.00 10.80 ? 176 VAL B O 1 ATOM 3800 C CB . VAL B 1 96 ? -46.626 35.174 13.239 1.00 8.49 ? 176 VAL B CB 1 ATOM 3801 C CG1 . VAL B 1 96 ? -46.326 34.730 14.669 1.00 8.24 ? 176 VAL B CG1 1 ATOM 3802 C CG2 . VAL B 1 96 ? -48.134 35.286 13.012 1.00 10.00 ? 176 VAL B CG2 1 ATOM 3803 N N . ALA B 1 97 ? -43.714 36.813 13.926 1.00 7.11 ? 177 ALA B N 1 ATOM 3804 C CA . ALA B 1 97 ? -42.252 36.829 13.844 1.00 7.52 ? 177 ALA B CA 1 ATOM 3805 C C . ALA B 1 97 ? -41.553 37.188 15.144 1.00 7.07 ? 177 ALA B C 1 ATOM 3806 O O . ALA B 1 97 ? -41.904 38.176 15.790 1.00 6.94 ? 177 ALA B O 1 ATOM 3807 C CB . ALA B 1 97 ? -41.796 37.803 12.745 1.00 7.61 ? 177 ALA B CB 1 ATOM 3808 N N . TRP B 1 98 ? -40.545 36.397 15.506 1.00 6.81 ? 178 TRP B N 1 ATOM 3809 C CA . TRP B 1 98 ? -39.558 36.839 16.487 1.00 7.49 ? 178 TRP B CA 1 ATOM 3810 C C . TRP B 1 98 ? -38.180 37.070 15.855 1.00 6.58 ? 178 TRP B C 1 ATOM 3811 O O . TRP B 1 98 ? -37.221 37.404 16.544 1.00 7.39 ? 178 TRP B O 1 ATOM 3812 C CB . TRP B 1 98 ? -39.484 35.933 17.732 1.00 6.57 ? 178 TRP B CB 1 ATOM 3813 C CG . TRP B 1 98 ? -39.517 34.433 17.508 1.00 7.49 ? 178 TRP B CG 1 ATOM 3814 C CD1 . TRP B 1 98 ? -40.532 33.586 17.846 1.00 7.26 ? 178 TRP B CD1 1 ATOM 3815 C CD2 . TRP B 1 98 ? -38.481 33.610 16.949 1.00 7.23 ? 178 TRP B CD2 1 ATOM 3816 N NE1 . TRP B 1 98 ? -40.205 32.291 17.516 1.00 7.31 ? 178 TRP B NE1 1 ATOM 3817 C CE2 . TRP B 1 98 ? -38.951 32.278 16.966 1.00 8.01 ? 178 TRP B CE2 1 ATOM 3818 C CE3 . TRP B 1 98 ? -37.209 33.869 16.426 1.00 7.48 ? 178 TRP B CE3 1 ATOM 3819 C CZ2 . TRP B 1 98 ? -38.196 31.207 16.482 1.00 7.43 ? 178 TRP B CZ2 1 ATOM 3820 C CZ3 . TRP B 1 98 ? -36.458 32.800 15.942 1.00 6.95 ? 178 TRP B CZ3 1 ATOM 3821 C CH2 . TRP B 1 98 ? -36.956 31.486 15.977 1.00 6.47 ? 178 TRP B CH2 1 ATOM 3822 N N . SER B 1 99 ? -38.103 36.907 14.537 1.00 6.19 ? 179 SER B N 1 ATOM 3823 C CA . SER B 1 99 ? -36.935 37.303 13.753 1.00 7.02 ? 179 SER B CA 1 ATOM 3824 C C . SER B 1 99 ? -37.454 37.584 12.349 1.00 7.84 ? 179 SER B C 1 ATOM 3825 O O . SER B 1 99 ? -38.369 36.898 11.885 1.00 9.84 ? 179 SER B O 1 ATOM 3826 C CB . SER B 1 99 ? -35.878 36.195 13.736 1.00 7.65 ? 179 SER B CB 1 ATOM 3827 O OG . SER B 1 99 ? -34.747 36.582 12.971 1.00 8.77 ? 179 SER B OG 1 ATOM 3828 N N . ALA B 1 100 ? -36.904 38.590 11.673 1.00 6.25 ? 180 ALA B N 1 ATOM 3829 C CA . ALA B 1 100 ? -37.501 39.026 10.410 1.00 6.80 ? 180 ALA B CA 1 ATOM 3830 C C . ALA B 1 100 ? -36.566 39.769 9.469 1.00 7.04 ? 180 ALA B C 1 ATOM 3831 O O . ALA B 1 100 ? -35.494 40.234 9.862 1.00 7.60 ? 180 ALA B O 1 ATOM 3832 C CB . ALA B 1 100 ? -38.728 39.895 10.689 1.00 8.16 ? 180 ALA B CB 1 ATOM 3833 N N . THR B 1 101 ? -36.998 39.863 8.214 1.00 6.72 ? 181 THR B N 1 ATOM 3834 C CA . THR B 1 101 ? -36.404 40.757 7.228 1.00 8.09 ? 181 THR B CA 1 ATOM 3835 C C . THR B 1 101 ? -37.537 41.185 6.290 1.00 8.64 ? 181 THR B C 1 ATOM 3836 O O . THR B 1 101 ? -38.550 40.493 6.183 1.00 10.03 ? 181 THR B O 1 ATOM 3837 C CB . THR B 1 101 ? -35.220 40.092 6.460 1.00 9.21 ? 181 THR B CB 1 ATOM 3838 O OG1 . THR B 1 101 ? -34.660 41.029 5.531 1.00 9.90 ? 181 THR B OG1 1 ATOM 3839 C CG2 . THR B 1 101 ? -35.664 38.824 5.712 1.00 9.33 ? 181 THR B CG2 1 ATOM 3840 N N . ALA B 1 102 ? -37.390 42.335 5.644 1.00 7.19 ? 182 ALA B N 1 ATOM 3841 C CA . ALA B 1 102 ? -38.394 42.803 4.691 1.00 6.95 ? 182 ALA B CA 1 ATOM 3842 C C . ALA B 1 102 ? -37.763 43.745 3.680 1.00 6.92 ? 182 ALA B C 1 ATOM 3843 O O . ALA B 1 102 ? -36.731 44.364 3.948 1.00 8.93 ? 182 ALA B O 1 ATOM 3844 C CB . ALA B 1 102 ? -39.556 43.492 5.408 1.00 7.80 ? 182 ALA B CB 1 ATOM 3845 N N . CYS B 1 103 ? -38.385 43.838 2.513 1.00 7.41 ? 183 CYS B N 1 ATOM 3846 C CA . CYS B 1 103 ? -37.889 44.690 1.441 1.00 8.38 ? 183 CYS B CA 1 ATOM 3847 C C . CYS B 1 103 ? -38.942 44.777 0.351 1.00 10.90 ? 183 CYS B C 1 ATOM 3848 O O . CYS B 1 103 ? -39.929 44.047 0.378 1.00 12.47 ? 183 CYS B O 1 ATOM 3849 C CB . CYS B 1 103 ? -36.551 44.176 0.881 1.00 10.58 ? 183 CYS B CB 1 ATOM 3850 S SG . CYS B 1 103 ? -36.468 42.406 0.481 1.00 12.95 ? 183 CYS B SG 1 ATOM 3851 N N . HIS B 1 104 ? -38.730 45.676 -0.602 1.00 9.07 ? 184 HIS B N 1 ATOM 3852 C CA . HIS B 1 104 ? -39.710 45.924 -1.649 1.00 9.93 ? 184 HIS B CA 1 ATOM 3853 C C . HIS B 1 104 ? -39.037 45.697 -2.993 1.00 10.57 ? 184 HIS B C 1 ATOM 3854 O O . HIS B 1 104 ? -37.923 46.179 -3.216 1.00 11.85 ? 184 HIS B O 1 ATOM 3855 C CB . HIS B 1 104 ? -40.225 47.363 -1.543 1.00 10.45 ? 184 HIS B CB 1 ATOM 3856 C CG . HIS B 1 104 ? -41.516 47.605 -2.264 1.00 10.77 ? 184 HIS B CG 1 ATOM 3857 N ND1 . HIS B 1 104 ? -41.630 47.546 -3.635 1.00 11.12 ? 184 HIS B ND1 1 ATOM 3858 C CD2 . HIS B 1 104 ? -42.748 47.925 -1.797 1.00 12.04 ? 184 HIS B CD2 1 ATOM 3859 C CE1 . HIS B 1 104 ? -42.879 47.806 -3.983 1.00 11.60 ? 184 HIS B CE1 1 ATOM 3860 N NE2 . HIS B 1 104 ? -43.576 48.042 -2.886 1.00 11.63 ? 184 HIS B NE2 1 ATOM 3861 N N . ASP B 1 105 ? -39.695 44.966 -3.891 1.00 9.48 ? 185 ASP B N 1 ATOM 3862 C CA . ASP B 1 105 ? -39.061 44.640 -5.169 1.00 9.92 ? 185 ASP B CA 1 ATOM 3863 C C . ASP B 1 105 ? -39.423 45.607 -6.291 1.00 10.93 ? 185 ASP B C 1 ATOM 3864 O O . ASP B 1 105 ? -38.991 45.430 -7.430 1.00 11.59 ? 185 ASP B O 1 ATOM 3865 C CB . ASP B 1 105 ? -39.328 43.183 -5.582 1.00 10.70 ? 185 ASP B CB 1 ATOM 3866 C CG . ASP B 1 105 ? -40.789 42.905 -5.900 1.00 11.45 ? 185 ASP B CG 1 ATOM 3867 O OD1 . ASP B 1 105 ? -41.607 43.850 -5.930 1.00 11.43 ? 185 ASP B OD1 1 ATOM 3868 O OD2 . ASP B 1 105 ? -41.113 41.717 -6.134 1.00 11.13 ? 185 ASP B OD2 1 ATOM 3869 N N . GLY B 1 106 ? -40.196 46.637 -5.956 1.00 11.55 ? 186 GLY B N 1 ATOM 3870 C CA . GLY B 1 106 ? -40.665 47.603 -6.934 1.00 11.30 ? 186 GLY B CA 1 ATOM 3871 C C . GLY B 1 106 ? -42.149 47.439 -7.207 1.00 12.13 ? 186 GLY B C 1 ATOM 3872 O O . GLY B 1 106 ? -42.842 48.398 -7.551 1.00 12.94 ? 186 GLY B O 1 ATOM 3873 N N . LYS B 1 107 ? -42.637 46.214 -7.051 1.00 12.57 ? 187 LYS B N 1 ATOM 3874 C CA . LYS B 1 107 ? -44.055 45.921 -7.237 1.00 11.53 ? 187 LYS B CA 1 ATOM 3875 C C . LYS B 1 107 ? -44.776 45.718 -5.906 1.00 12.57 ? 187 LYS B C 1 ATOM 3876 O O . LYS B 1 107 ? -45.842 46.289 -5.685 1.00 14.14 ? 187 LYS B O 1 ATOM 3877 C CB . LYS B 1 107 ? -44.244 44.693 -8.134 1.00 12.59 ? 187 LYS B CB 1 ATOM 3878 C CG . LYS B 1 107 ? -43.767 44.905 -9.568 1.00 13.39 ? 187 LYS B CG 1 ATOM 3879 C CD . LYS B 1 107 ? -44.151 43.738 -10.471 1.00 14.03 ? 187 LYS B CD 1 ATOM 3880 C CE . LYS B 1 107 ? -43.534 43.894 -11.853 1.00 16.55 ? 187 LYS B CE 1 ATOM 3881 N NZ . LYS B 1 107 ? -43.942 42.799 -12.775 1.00 18.66 ? 187 LYS B NZ 1 ATOM 3882 N N . LYS B 1 108 ? -44.199 44.897 -5.030 1.00 11.45 ? 188 LYS B N 1 ATOM 3883 C CA . LYS B 1 108 ? -44.837 44.565 -3.756 1.00 11.18 ? 188 LYS B CA 1 ATOM 3884 C C . LYS B 1 108 ? -43.851 44.460 -2.603 1.00 10.71 ? 188 LYS B C 1 ATOM 3885 O O . LYS B 1 108 ? -42.657 44.259 -2.812 1.00 10.77 ? 188 LYS B O 1 ATOM 3886 C CB . LYS B 1 108 ? -45.597 43.241 -3.879 1.00 14.06 ? 188 LYS B CB 1 ATOM 3887 C CG . LYS B 1 108 ? -46.568 43.222 -5.043 1.00 17.18 ? 188 LYS B CG 1 ATOM 3888 C CD . LYS B 1 108 ? -47.501 42.039 -4.980 1.00 21.39 ? 188 LYS B CD 1 ATOM 3889 C CE . LYS B 1 108 ? -48.471 42.047 -6.151 1.00 24.93 ? 188 LYS B CE 1 ATOM 3890 N NZ . LYS B 1 108 ? -49.448 40.936 -6.048 1.00 28.14 ? 188 LYS B NZ 1 ATOM 3891 N N . TRP B 1 109 ? -44.366 44.584 -1.383 1.00 9.76 ? 189 TRP B N 1 ATOM 3892 C CA . TRP B 1 109 ? -43.569 44.328 -0.187 1.00 9.47 ? 189 TRP B CA 1 ATOM 3893 C C . TRP B 1 109 ? -43.356 42.833 0.015 1.00 10.12 ? 189 TRP B C 1 ATOM 3894 O O . TRP B 1 109 ? -44.288 42.036 -0.128 1.00 11.60 ? 189 TRP B O 1 ATOM 3895 C CB . TRP B 1 109 ? -44.252 44.910 1.059 1.00 10.26 ? 189 TRP B CB 1 ATOM 3896 C CG . TRP B 1 109 ? -44.055 46.378 1.216 1.00 11.47 ? 189 TRP B CG 1 ATOM 3897 C CD1 . TRP B 1 109 ? -44.977 47.359 0.990 1.00 12.59 ? 189 TRP B CD1 1 ATOM 3898 C CD2 . TRP B 1 109 ? -42.856 47.037 1.630 1.00 12.15 ? 189 TRP B CD2 1 ATOM 3899 N NE1 . TRP B 1 109 ? -44.423 48.591 1.241 1.00 13.01 ? 189 TRP B NE1 1 ATOM 3900 C CE2 . TRP B 1 109 ? -43.121 48.422 1.632 1.00 13.37 ? 189 TRP B CE2 1 ATOM 3901 C CE3 . TRP B 1 109 ? -41.579 46.592 1.992 1.00 13.04 ? 189 TRP B CE3 1 ATOM 3902 C CZ2 . TRP B 1 109 ? -42.156 49.368 1.986 1.00 13.96 ? 189 TRP B CZ2 1 ATOM 3903 C CZ3 . TRP B 1 109 ? -40.622 47.534 2.347 1.00 14.58 ? 189 TRP B CZ3 1 ATOM 3904 C CH2 . TRP B 1 109 ? -40.917 48.904 2.341 1.00 15.15 ? 189 TRP B CH2 1 ATOM 3905 N N . LEU B 1 110 ? -42.124 42.469 0.352 1.00 9.67 ? 190 LEU B N 1 ATOM 3906 C CA . LEU B 1 110 ? -41.782 41.120 0.765 1.00 9.16 ? 190 LEU B CA 1 ATOM 3907 C C . LEU B 1 110 ? -41.454 41.155 2.253 1.00 9.54 ? 190 LEU B C 1 ATOM 3908 O O . LEU B 1 110 ? -40.644 41.969 2.698 1.00 11.03 ? 190 LEU B O 1 ATOM 3909 C CB . LEU B 1 110 ? -40.558 40.638 -0.007 1.00 10.53 ? 190 LEU B CB 1 ATOM 3910 C CG . LEU B 1 110 ? -40.064 39.227 0.309 1.00 11.56 ? 190 LEU B CG 1 ATOM 3911 C CD1 . LEU B 1 110 ? -41.019 38.206 -0.285 1.00 11.96 ? 190 LEU B CD1 1 ATOM 3912 C CD2 . LEU B 1 110 ? -38.656 39.033 -0.241 1.00 13.28 ? 190 LEU B CD2 1 ATOM 3913 N N . ALA B 1 111 ? -42.101 40.296 3.029 1.00 9.34 ? 191 ALA B N 1 ATOM 3914 C CA . ALA B 1 111 ? -41.796 40.194 4.452 1.00 9.86 ? 191 ALA B CA 1 ATOM 3915 C C . ALA B 1 111 ? -41.532 38.741 4.800 1.00 11.56 ? 191 ALA B C 1 ATOM 3916 O O . ALA B 1 111 ? -42.304 37.859 4.429 1.00 13.81 ? 191 ALA B O 1 ATOM 3917 C CB . ALA B 1 111 ? -42.941 40.749 5.296 1.00 10.42 ? 191 ALA B CB 1 ATOM 3918 N N . VAL B 1 112 ? -40.430 38.498 5.499 1.00 9.36 ? 192 VAL B N 1 ATOM 3919 C CA . VAL B 1 112 ? -40.061 37.157 5.928 1.00 8.88 ? 192 VAL B CA 1 ATOM 3920 C C . VAL B 1 112 ? -40.054 37.137 7.453 1.00 9.29 ? 192 VAL B C 1 ATOM 3921 O O . VAL B 1 112 ? -39.272 37.841 8.085 1.00 11.23 ? 192 VAL B O 1 ATOM 3922 C CB . VAL B 1 112 ? -38.670 36.763 5.391 1.00 9.24 ? 192 VAL B CB 1 ATOM 3923 C CG1 . VAL B 1 112 ? -38.296 35.354 5.840 1.00 11.50 ? 192 VAL B CG1 1 ATOM 3924 C CG2 . VAL B 1 112 ? -38.637 36.873 3.863 1.00 11.41 ? 192 VAL B CG2 1 ATOM 3925 N N . GLY B 1 113 ? -40.939 36.343 8.043 1.00 8.43 ? 193 GLY B N 1 ATOM 3926 C CA . GLY B 1 113 ? -41.087 36.318 9.487 1.00 8.05 ? 193 GLY B CA 1 ATOM 3927 C C . GLY B 1 113 ? -40.956 34.914 10.041 1.00 8.54 ? 193 GLY B C 1 ATOM 3928 O O . GLY B 1 113 ? -41.630 33.991 9.577 1.00 9.70 ? 193 GLY B O 1 ATOM 3929 N N . ILE B 1 114 ? -40.094 34.754 11.041 1.00 7.37 ? 194 ILE B N 1 ATOM 3930 C CA . ILE B 1 114 ? -39.834 33.442 11.630 1.00 6.85 ? 194 ILE B CA 1 ATOM 3931 C C . ILE B 1 114 ? -40.538 33.318 12.972 1.00 8.31 ? 194 ILE B C 1 ATOM 3932 O O . ILE B 1 114 ? -40.415 34.193 13.821 1.00 8.38 ? 194 ILE B O 1 ATOM 3933 C CB . ILE B 1 114 ? -38.325 33.225 11.853 1.00 6.86 ? 194 ILE B CB 1 ATOM 3934 C CG1 . ILE B 1 114 ? -37.565 33.275 10.524 1.00 8.31 ? 194 ILE B CG1 1 ATOM 3935 C CG2 . ILE B 1 114 ? -38.059 31.898 12.557 1.00 8.17 ? 194 ILE B CG2 1 ATOM 3936 C CD1 . ILE B 1 114 ? -36.075 33.496 10.712 1.00 7.94 ? 194 ILE B CD1 1 ATOM 3937 N N . SER B 1 115 ? -41.281 32.232 13.154 1.00 8.08 ? 195 SER B N 1 ATOM 3938 C CA . SER B 1 115 ? -41.891 31.932 14.443 1.00 8.65 ? 195 SER B CA 1 ATOM 3939 C C . SER B 1 115 ? -41.823 30.425 14.684 1.00 8.30 ? 195 SER B C 1 ATOM 3940 O O . SER B 1 115 ? -41.186 29.702 13.917 1.00 9.72 ? 195 SER B O 1 ATOM 3941 C CB . SER B 1 115 ? -43.332 32.454 14.497 1.00 8.21 ? 195 SER B CB 1 ATOM 3942 O OG . SER B 1 115 ? -43.858 32.371 15.813 1.00 9.16 ? 195 SER B OG 1 ATOM 3943 N N . GLY B 1 116 ? -42.467 29.949 15.744 1.00 7.70 ? 196 GLY B N 1 ATOM 3944 C CA . GLY B 1 116 ? -42.374 28.546 16.105 1.00 8.85 ? 196 GLY B CA 1 ATOM 3945 C C . GLY B 1 116 ? -41.404 28.294 17.246 1.00 8.59 ? 196 GLY B C 1 ATOM 3946 O O . GLY B 1 116 ? -40.792 29.230 17.773 1.00 9.88 ? 196 GLY B O 1 ATOM 3947 N N . ALA B 1 117 ? -41.260 27.022 17.615 1.00 9.29 ? 197 ALA B N 1 ATOM 3948 C CA . ALA B 1 117 ? -40.357 26.609 18.686 1.00 10.11 ? 197 ALA B CA 1 ATOM 3949 C C . ALA B 1 117 ? -38.894 26.763 18.281 1.00 10.08 ? 197 ALA B C 1 ATOM 3950 O O . ALA B 1 117 ? -38.558 26.699 17.100 1.00 10.53 ? 197 ALA B O 1 ATOM 3951 C CB . ALA B 1 117 ? -40.634 25.159 19.076 1.00 10.93 ? 197 ALA B CB 1 ATOM 3952 N N . ASP B 1 118 ? -38.026 26.954 19.270 1.00 9.99 ? 198 ASP B N 1 ATOM 3953 C CA . ASP B 1 118 ? -36.592 27.069 19.014 1.00 10.81 ? 198 ASP B CA 1 ATOM 3954 C C . ASP B 1 118 ? -36.056 25.887 18.207 1.00 11.20 ? 198 ASP B C 1 ATOM 3955 O O . ASP B 1 118 ? -35.179 26.053 17.364 1.00 11.74 ? 198 ASP B O 1 ATOM 3956 C CB . ASP B 1 118 ? -35.812 27.163 20.326 1.00 11.30 ? 198 ASP B CB 1 ATOM 3957 C CG . ASP B 1 118 ? -36.007 28.488 21.033 1.00 13.67 ? 198 ASP B CG 1 ATOM 3958 O OD1 . ASP B 1 118 ? -36.713 29.371 20.493 1.00 15.10 ? 198 ASP B OD1 1 ATOM 3959 O OD2 . ASP B 1 118 ? -35.439 28.648 22.134 1.00 14.07 ? 198 ASP B OD2 1 ATOM 3960 N N . ASP B 1 119 ? -36.575 24.692 18.472 1.00 11.43 ? 199 ASP B N 1 ATOM 3961 C CA . ASP B 1 119 ? -36.046 23.496 17.820 1.00 12.19 ? 199 ASP B CA 1 ATOM 3962 C C . ASP B 1 119 ? -36.790 23.084 16.548 1.00 12.08 ? 199 ASP B C 1 ATOM 3963 O O . ASP B 1 119 ? -36.524 22.019 15.994 1.00 13.55 ? 199 ASP B O 1 ATOM 3964 C CB . ASP B 1 119 ? -35.962 22.317 18.801 1.00 15.58 ? 199 ASP B CB 1 ATOM 3965 C CG . ASP B 1 119 ? -37.326 21.801 19.226 1.00 19.85 ? 199 ASP B CG 1 ATOM 3966 O OD1 . ASP B 1 119 ? -38.352 22.382 18.815 1.00 21.12 ? 199 ASP B OD1 1 ATOM 3967 O OD2 . ASP B 1 119 ? -37.370 20.802 19.978 1.00 22.58 ? 199 ASP B OD2 1 ATOM 3968 N N . ASP B 1 120 ? -37.713 23.922 16.086 1.00 11.87 ? 200 ASP B N 1 ATOM 3969 C CA . ASP B 1 120 ? -38.468 23.614 14.869 1.00 12.43 ? 200 ASP B CA 1 ATOM 3970 C C . ASP B 1 120 ? -39.176 24.851 14.336 1.00 12.03 ? 200 ASP B C 1 ATOM 3971 O O . ASP B 1 120 ? -40.362 24.815 13.997 1.00 13.53 ? 200 ASP B O 1 ATOM 3972 C CB . ASP B 1 120 ? -39.474 22.484 15.124 1.00 15.58 ? 200 ASP B CB 1 ATOM 3973 C CG . ASP B 1 120 ? -39.621 21.546 13.931 1.00 20.06 ? 200 ASP B CG 1 ATOM 3974 O OD1 . ASP B 1 120 ? -39.028 21.821 12.866 1.00 19.47 ? 200 ASP B OD1 1 ATOM 3975 O OD2 . ASP B 1 120 ? -40.332 20.528 14.056 1.00 24.54 ? 200 ASP B OD2 1 ATOM 3976 N N . ALA B 1 121 ? -38.435 25.948 14.263 1.00 10.44 ? 201 ALA B N 1 ATOM 3977 C CA . ALA B 1 121 ? -38.978 27.215 13.788 1.00 9.99 ? 201 ALA B CA 1 ATOM 3978 C C . ALA B 1 121 ? -39.131 27.187 12.275 1.00 9.01 ? 201 ALA B C 1 ATOM 3979 O O . ALA B 1 121 ? -38.530 26.352 11.596 1.00 9.76 ? 201 ALA B O 1 ATOM 3980 C CB . ALA B 1 121 ? -38.064 28.362 14.205 1.00 9.62 ? 201 ALA B CB 1 ATOM 3981 N N . TYR B 1 122 ? -39.942 28.095 11.742 1.00 7.89 ? 202 TYR B N 1 ATOM 3982 C CA . TYR B 1 122 ? -40.008 28.258 10.297 1.00 7.06 ? 202 TYR B CA 1 ATOM 3983 C C . TYR B 1 122 ? -40.329 29.683 9.908 1.00 8.41 ? 202 TYR B C 1 ATOM 3984 O O . TYR B 1 122 ? -41.025 30.397 10.633 1.00 9.31 ? 202 TYR B O 1 ATOM 3985 C CB . TYR B 1 122 ? -41.012 27.293 9.659 1.00 7.63 ? 202 TYR B CB 1 ATOM 3986 C CG . TYR B 1 122 ? -42.468 27.478 10.047 1.00 8.17 ? 202 TYR B CG 1 ATOM 3987 C CD1 . TYR B 1 122 ? -43.334 28.205 9.236 1.00 9.11 ? 202 TYR B CD1 1 ATOM 3988 C CD2 . TYR B 1 122 ? -42.984 26.899 11.203 1.00 8.53 ? 202 TYR B CD2 1 ATOM 3989 C CE1 . TYR B 1 122 ? -44.669 28.359 9.564 1.00 9.60 ? 202 TYR B CE1 1 ATOM 3990 C CE2 . TYR B 1 122 ? -44.330 27.047 11.542 1.00 7.94 ? 202 TYR B CE2 1 ATOM 3991 C CZ . TYR B 1 122 ? -45.163 27.782 10.719 1.00 9.28 ? 202 TYR B CZ 1 ATOM 3992 O OH . TYR B 1 122 ? -46.493 27.935 11.038 1.00 10.50 ? 202 TYR B OH 1 ATOM 3993 N N . ALA B 1 123 ? -39.803 30.092 8.760 1.00 8.41 ? 203 ALA B N 1 ATOM 3994 C CA . ALA B 1 123 ? -40.097 31.407 8.213 1.00 8.75 ? 203 ALA B CA 1 ATOM 3995 C C . ALA B 1 123 ? -41.305 31.304 7.301 1.00 8.85 ? 203 ALA B C 1 ATOM 3996 O O . ALA B 1 123 ? -41.443 30.345 6.542 1.00 9.57 ? 203 ALA B O 1 ATOM 3997 C CB . ALA B 1 123 ? -38.901 31.941 7.439 1.00 10.51 ? 203 ALA B CB 1 ATOM 3998 N N . VAL B 1 124 ? -42.188 32.288 7.392 1.00 8.80 ? 204 VAL B N 1 ATOM 3999 C CA . VAL B 1 124 ? -43.277 32.408 6.443 1.00 8.28 ? 204 VAL B CA 1 ATOM 4000 C C . VAL B 1 124 ? -42.977 33.619 5.584 1.00 8.94 ? 204 VAL B C 1 ATOM 4001 O O . VAL B 1 124 ? -42.660 34.696 6.098 1.00 8.89 ? 204 VAL B O 1 ATOM 4002 C CB . VAL B 1 124 ? -44.634 32.576 7.147 1.00 7.84 ? 204 VAL B CB 1 ATOM 4003 C CG1 . VAL B 1 124 ? -45.744 32.816 6.128 1.00 8.59 ? 204 VAL B CG1 1 ATOM 4004 C CG2 . VAL B 1 124 ? -44.934 31.350 7.999 1.00 9.19 ? 204 VAL B CG2 1 ATOM 4005 N N . ILE B 1 125 ? -43.053 33.433 4.274 1.00 7.74 ? 205 ILE B N 1 ATOM 4006 C CA . ILE B 1 125 ? -42.781 34.513 3.351 1.00 8.74 ? 205 ILE B CA 1 ATOM 4007 C C . ILE B 1 125 ? -44.106 35.111 2.922 1.00 9.11 ? 205 ILE B C 1 ATOM 4008 O O . ILE B 1 125 ? -44.991 34.407 2.431 1.00 11.03 ? 205 ILE B O 1 ATOM 4009 C CB . ILE B 1 125 ? -41.981 34.015 2.138 1.00 11.14 ? 205 ILE B CB 1 ATOM 4010 C CG1 . ILE B 1 125 ? -40.641 33.435 2.606 1.00 15.25 ? 205 ILE B CG1 1 ATOM 4011 C CG2 . ILE B 1 125 ? -41.763 35.140 1.134 1.00 11.09 ? 205 ILE B CG2 1 ATOM 4012 C CD1 . ILE B 1 125 ? -39.853 32.778 1.517 1.00 19.45 ? 205 ILE B CD1 1 ATOM 4013 N N . HIS B 1 126 ? -44.247 36.410 3.154 1.00 8.79 ? 206 HIS B N 1 ATOM 4014 C CA . HIS B 1 126 ? -45.447 37.147 2.796 1.00 9.19 ? 206 HIS B CA 1 ATOM 4015 C C . HIS B 1 126 ? -45.098 38.044 1.625 1.00 9.56 ? 206 HIS B C 1 ATOM 4016 O O . HIS B 1 126 ? -44.121 38.790 1.680 1.00 12.30 ? 206 HIS B O 1 ATOM 4017 C CB . HIS B 1 126 ? -45.877 38.031 3.966 1.00 9.78 ? 206 HIS B CB 1 ATOM 4018 C CG . HIS B 1 126 ? -46.305 37.275 5.186 1.00 10.61 ? 206 HIS B CG 1 ATOM 4019 N ND1 . HIS B 1 126 ? -45.411 36.694 6.061 1.00 13.10 ? 206 HIS B ND1 1 ATOM 4020 C CD2 . HIS B 1 126 ? -47.537 37.036 5.694 1.00 10.06 ? 206 HIS B CD2 1 ATOM 4021 C CE1 . HIS B 1 126 ? -46.075 36.117 7.048 1.00 11.09 ? 206 HIS B CE1 1 ATOM 4022 N NE2 . HIS B 1 126 ? -47.366 36.315 6.850 1.00 13.39 ? 206 HIS B NE2 1 ATOM 4023 N N . TYR B 1 127 ? -45.886 37.980 0.561 1.00 8.69 ? 207 TYR B N 1 ATOM 4024 C CA . TYR B 1 127 ? -45.608 38.814 -0.598 1.00 10.15 ? 207 TYR B CA 1 ATOM 4025 C C . TYR B 1 127 ? -46.875 39.532 -1.024 1.00 13.59 ? 207 TYR B C 1 ATOM 4026 O O . TYR B 1 127 ? -47.857 38.900 -1.411 1.00 14.90 ? 207 TYR B O 1 ATOM 4027 C CB . TYR B 1 127 ? -45.035 37.971 -1.736 1.00 10.75 ? 207 TYR B CB 1 ATOM 4028 C CG . TYR B 1 127 ? -44.644 38.763 -2.963 1.00 11.42 ? 207 TYR B CG 1 ATOM 4029 C CD1 . TYR B 1 127 ? -43.539 39.608 -2.951 1.00 11.03 ? 207 TYR B CD1 1 ATOM 4030 C CD2 . TYR B 1 127 ? -45.366 38.649 -4.137 1.00 12.03 ? 207 TYR B CD2 1 ATOM 4031 C CE1 . TYR B 1 127 ? -43.178 40.325 -4.073 1.00 11.60 ? 207 TYR B CE1 1 ATOM 4032 C CE2 . TYR B 1 127 ? -45.012 39.363 -5.268 1.00 12.25 ? 207 TYR B CE2 1 ATOM 4033 C CZ . TYR B 1 127 ? -43.924 40.199 -5.231 1.00 12.63 ? 207 TYR B CZ 1 ATOM 4034 O OH . TYR B 1 127 ? -43.577 40.897 -6.363 1.00 13.32 ? 207 TYR B OH 1 ATOM 4035 N N . GLY B 1 128 ? -46.853 40.857 -0.931 1.00 15.32 ? 208 GLY B N 1 ATOM 4036 C CA . GLY B 1 128 ? -48.051 41.639 -1.173 1.00 16.76 ? 208 GLY B CA 1 ATOM 4037 C C . GLY B 1 128 ? -49.130 41.271 -0.172 1.00 19.37 ? 208 GLY B C 1 ATOM 4038 O O . GLY B 1 128 ? -50.323 41.365 -0.463 1.00 21.35 ? 208 GLY B O 1 ATOM 4039 N N . GLY B 1 129 ? -48.703 40.838 1.011 1.00 20.48 ? 209 GLY B N 1 ATOM 4040 C CA . GLY B 1 129 ? -49.622 40.538 2.094 1.00 22.52 ? 209 GLY B CA 1 ATOM 4041 C C . GLY B 1 129 ? -50.175 39.125 2.081 1.00 25.35 ? 209 GLY B C 1 ATOM 4042 O O . GLY B 1 129 ? -50.954 38.752 2.956 1.00 28.08 ? 209 GLY B O 1 ATOM 4043 N N . MET B 1 130 ? -49.786 38.338 1.086 1.00 24.84 ? 210 MET B N 1 ATOM 4044 C CA . MET B 1 130 ? -50.235 36.954 1.006 1.00 25.80 ? 210 MET B CA 1 ATOM 4045 C C . MET B 1 130 ? -49.096 36.005 1.346 1.00 19.38 ? 210 MET B C 1 ATOM 4046 O O . MET B 1 130 ? -47.974 36.197 0.893 1.00 17.46 ? 210 MET B O 1 ATOM 4047 C CB . MET B 1 130 ? -50.770 36.646 -0.392 1.00 31.71 ? 210 MET B CB 1 ATOM 4048 C CG . MET B 1 130 ? -51.998 37.454 -0.770 1.00 37.82 ? 210 MET B CG 1 ATOM 4049 S SD . MET B 1 130 ? -53.333 37.305 0.436 1.00 43.19 ? 210 MET B SD 1 ATOM 4050 C CE . MET B 1 130 ? -53.265 38.907 1.231 1.00 43.82 ? 210 MET B CE 1 ATOM 4051 N N . PRO B 1 131 ? -49.380 34.975 2.154 1.00 17.51 ? 211 PRO B N 1 ATOM 4052 C CA . PRO B 1 131 ? -48.352 33.980 2.471 1.00 16.34 ? 211 PRO B CA 1 ATOM 4053 C C . PRO B 1 131 ? -48.051 33.145 1.231 1.00 14.99 ? 211 PRO B C 1 ATOM 4054 O O . PRO B 1 131 ? -48.933 32.446 0.739 1.00 19.37 ? 211 PRO B O 1 ATOM 4055 C CB . PRO B 1 131 ? -49.022 33.124 3.546 1.00 18.87 ? 211 PRO B CB 1 ATOM 4056 C CG . PRO B 1 131 ? -50.486 33.248 3.255 1.00 20.32 ? 211 PRO B CG 1 ATOM 4057 C CD . PRO B 1 131 ? -50.675 34.661 2.783 1.00 20.11 ? 211 PRO B CD 1 ATOM 4058 N N . THR B 1 132 ? -46.823 33.220 0.731 1.00 11.95 ? 212 THR B N 1 ATOM 4059 C CA . THR B 1 132 ? -46.474 32.569 -0.531 1.00 12.79 ? 212 THR B CA 1 ATOM 4060 C C . THR B 1 132 ? -45.604 31.315 -0.391 1.00 12.19 ? 212 THR B C 1 ATOM 4061 O O . THR B 1 132 ? -45.696 30.402 -1.213 1.00 13.44 ? 212 THR B O 1 ATOM 4062 C CB . THR B 1 132 ? -45.743 33.548 -1.462 1.00 13.83 ? 212 THR B CB 1 ATOM 4063 O OG1 . THR B 1 132 ? -44.734 34.231 -0.711 1.00 14.31 ? 212 THR B OG1 1 ATOM 4064 C CG2 . THR B 1 132 ? -46.710 34.567 -2.035 1.00 14.37 ? 212 THR B CG2 1 ATOM 4065 N N . ASP B 1 133 ? -44.761 31.267 0.637 1.00 10.75 ? 213 ASP B N 1 ATOM 4066 C CA . ASP B 1 133 ? -43.825 30.157 0.773 1.00 10.59 ? 213 ASP B CA 1 ATOM 4067 C C . ASP B 1 133 ? -43.367 30.040 2.220 1.00 11.22 ? 213 ASP B C 1 ATOM 4068 O O . ASP B 1 133 ? -43.656 30.910 3.047 1.00 11.95 ? 213 ASP B O 1 ATOM 4069 C CB . ASP B 1 133 ? -42.620 30.375 -0.153 1.00 11.27 ? 213 ASP B CB 1 ATOM 4070 C CG . ASP B 1 133 ? -41.965 29.072 -0.603 1.00 13.22 ? 213 ASP B CG 1 ATOM 4071 O OD1 . ASP B 1 133 ? -42.297 27.996 -0.064 1.00 13.79 ? 213 ASP B OD1 1 ATOM 4072 O OD2 . ASP B 1 133 ? -41.106 29.129 -1.510 1.00 14.36 ? 213 ASP B OD2 1 ATOM 4073 N N . VAL B 1 134 ? -42.660 28.956 2.520 1.00 10.66 ? 214 VAL B N 1 ATOM 4074 C CA . VAL B 1 134 ? -42.103 28.747 3.850 1.00 11.25 ? 214 VAL B CA 1 ATOM 4075 C C . VAL B 1 134 ? -40.660 28.266 3.754 1.00 11.16 ? 214 VAL B C 1 ATOM 4076 O O . VAL B 1 134 ? -40.271 27.621 2.775 1.00 12.93 ? 214 VAL B O 1 ATOM 4077 C CB . VAL B 1 134 ? -42.911 27.707 4.647 1.00 14.37 ? 214 VAL B CB 1 ATOM 4078 C CG1 . VAL B 1 134 ? -44.325 28.204 4.895 1.00 15.24 ? 214 VAL B CG1 1 ATOM 4079 C CG2 . VAL B 1 134 ? -42.934 26.390 3.913 1.00 17.49 ? 214 VAL B CG2 1 ATOM 4080 N N . VAL B 1 135 ? -39.866 28.592 4.767 1.00 10.44 ? 215 VAL B N 1 ATOM 4081 C CA . VAL B 1 135 ? -38.529 28.033 4.899 1.00 11.24 ? 215 VAL B CA 1 ATOM 4082 C C . VAL B 1 135 ? -38.424 27.379 6.265 1.00 10.19 ? 215 VAL B C 1 ATOM 4083 O O . VAL B 1 135 ? -38.588 28.038 7.291 1.00 10.85 ? 215 VAL B O 1 ATOM 4084 C CB . VAL B 1 135 ? -37.431 29.113 4.779 1.00 13.31 ? 215 VAL B CB 1 ATOM 4085 C CG1 . VAL B 1 135 ? -36.053 28.490 4.963 1.00 13.62 ? 215 VAL B CG1 1 ATOM 4086 C CG2 . VAL B 1 135 ? -37.522 29.813 3.439 1.00 15.14 ? 215 VAL B CG2 1 ATOM 4087 N N . ARG B 1 136 ? -38.156 26.081 6.286 1.00 10.81 ? 216 ARG B N 1 ATOM 4088 C CA . ARG B 1 136 ? -38.034 25.380 7.555 1.00 11.20 ? 216 ARG B CA 1 ATOM 4089 C C . ARG B 1 136 ? -36.622 25.465 8.115 1.00 11.23 ? 216 ARG B C 1 ATOM 4090 O O . ARG B 1 136 ? -35.654 25.613 7.375 1.00 12.48 ? 216 ARG B O 1 ATOM 4091 C CB . ARG B 1 136 ? -38.447 23.917 7.405 1.00 15.37 ? 216 ARG B CB 1 ATOM 4092 C CG . ARG B 1 136 ? -39.940 23.729 7.189 1.00 18.28 ? 216 ARG B CG 1 ATOM 4093 C CD . ARG B 1 136 ? -40.338 22.289 7.416 1.00 21.92 ? 216 ARG B CD 1 ATOM 4094 N NE . ARG B 1 136 ? -39.996 21.849 8.767 1.00 24.31 ? 216 ARG B NE 1 ATOM 4095 C CZ . ARG B 1 136 ? -40.357 20.681 9.283 1.00 27.23 ? 216 ARG B CZ 1 ATOM 4096 N NH1 . ARG B 1 136 ? -41.077 19.831 8.560 1.00 28.44 ? 216 ARG B NH1 1 ATOM 4097 N NH2 . ARG B 1 136 ? -40.005 20.364 10.521 1.00 27.60 ? 216 ARG B NH2 1 ATOM 4098 N N . SER B 1 137 ? -36.524 25.368 9.435 1.00 10.98 ? 217 SER B N 1 ATOM 4099 C CA . SER B 1 137 ? -35.245 25.267 10.111 1.00 10.66 ? 217 SER B CA 1 ATOM 4100 C C . SER B 1 137 ? -34.537 24.006 9.627 1.00 12.46 ? 217 SER B C 1 ATOM 4101 O O . SER B 1 137 ? -35.130 22.925 9.610 1.00 14.88 ? 217 SER B O 1 ATOM 4102 C CB . SER B 1 137 ? -35.483 25.189 11.619 1.00 10.49 ? 217 SER B CB 1 ATOM 4103 O OG . SER B 1 137 ? -34.279 24.999 12.327 1.00 11.18 ? 217 SER B OG 1 ATOM 4104 N N . TRP B 1 138 ? -33.277 24.142 9.221 1.00 10.30 ? 218 TRP B N 1 ATOM 4105 C CA . TRP B 1 138 ? -32.524 23.002 8.713 1.00 11.07 ? 218 TRP B CA 1 ATOM 4106 C C . TRP B 1 138 ? -31.530 22.443 9.731 1.00 12.27 ? 218 TRP B C 1 ATOM 4107 O O . TRP B 1 138 ? -30.996 21.350 9.541 1.00 14.34 ? 218 TRP B O 1 ATOM 4108 C CB . TRP B 1 138 ? -31.821 23.346 7.391 1.00 11.43 ? 218 TRP B CB 1 ATOM 4109 C CG . TRP B 1 138 ? -30.672 24.311 7.518 1.00 11.32 ? 218 TRP B CG 1 ATOM 4110 C CD1 . TRP B 1 138 ? -29.353 23.997 7.699 1.00 11.60 ? 218 TRP B CD1 1 ATOM 4111 C CD2 . TRP B 1 138 ? -30.739 25.743 7.461 1.00 11.69 ? 218 TRP B CD2 1 ATOM 4112 N NE1 . TRP B 1 138 ? -28.600 25.143 7.763 1.00 11.40 ? 218 TRP B NE1 1 ATOM 4113 C CE2 . TRP B 1 138 ? -29.427 26.228 7.621 1.00 11.93 ? 218 TRP B CE2 1 ATOM 4114 C CE3 . TRP B 1 138 ? -31.782 26.659 7.290 1.00 12.75 ? 218 TRP B CE3 1 ATOM 4115 C CZ2 . TRP B 1 138 ? -29.127 27.591 7.615 1.00 10.71 ? 218 TRP B CZ2 1 ATOM 4116 C CZ3 . TRP B 1 138 ? -31.482 28.015 7.285 1.00 13.17 ? 218 TRP B CZ3 1 ATOM 4117 C CH2 . TRP B 1 138 ? -30.167 28.467 7.452 1.00 11.70 ? 218 TRP B CH2 1 ATOM 4118 N N . ARG B 1 139 ? -31.286 23.186 10.807 1.00 11.31 ? 219 ARG B N 1 ATOM 4119 C CA . ARG B 1 139 ? -30.417 22.712 11.890 1.00 12.39 ? 219 ARG B CA 1 ATOM 4120 C C . ARG B 1 139 ? -31.179 22.550 13.208 1.00 10.80 ? 219 ARG B C 1 ATOM 4121 O O . ARG B 1 139 ? -30.627 22.075 14.207 1.00 11.32 ? 219 ARG B O 1 ATOM 4122 C CB . ARG B 1 139 ? -29.214 23.645 12.087 1.00 14.58 ? 219 ARG B CB 1 ATOM 4123 C CG . ARG B 1 139 ? -28.193 23.612 10.958 1.00 17.23 ? 219 ARG B CG 1 ATOM 4124 C CD . ARG B 1 139 ? -27.509 22.255 10.857 1.00 21.07 ? 219 ARG B CD 1 ATOM 4125 N NE . ARG B 1 139 ? -26.457 22.242 9.841 1.00 26.13 ? 219 ARG B NE 1 ATOM 4126 C CZ . ARG B 1 139 ? -25.179 22.524 10.083 1.00 28.40 ? 219 ARG B CZ 1 ATOM 4127 N NH1 . ARG B 1 139 ? -24.785 22.843 11.311 1.00 29.23 ? 219 ARG B NH1 1 ATOM 4128 N NH2 . ARG B 1 139 ? -24.291 22.485 9.097 1.00 27.85 ? 219 ARG B NH2 1 ATOM 4129 N N . LYS B 1 140 ? -32.448 22.943 13.202 1.00 10.81 ? 220 LYS B N 1 ATOM 4130 C CA . LYS B 1 140 ? -33.311 22.814 14.377 1.00 10.97 ? 220 LYS B CA 1 ATOM 4131 C C . LYS B 1 140 ? -32.763 23.563 15.593 1.00 9.65 ? 220 LYS B C 1 ATOM 4132 O O . LYS B 1 140 ? -32.874 23.097 16.731 1.00 10.61 ? 220 LYS B O 1 ATOM 4133 C CB . LYS B 1 140 ? -33.556 21.339 14.716 1.00 13.14 ? 220 LYS B CB 1 ATOM 4134 C CG . LYS B 1 140 ? -34.041 20.508 13.538 1.00 14.42 ? 220 LYS B CG 1 ATOM 4135 C CD . LYS B 1 140 ? -35.250 21.140 12.859 1.00 16.69 ? 220 LYS B CD 1 ATOM 4136 C CE . LYS B 1 140 ? -35.701 20.328 11.652 1.00 20.39 ? 220 LYS B CE 1 ATOM 4137 N NZ . LYS B 1 140 ? -36.758 21.034 10.865 1.00 22.41 ? 220 LYS B NZ 1 ATOM 4138 N N . GLN B 1 141 ? -32.189 24.737 15.353 1.00 9.75 ? 221 GLN B N 1 ATOM 4139 C CA . GLN B 1 141 ? -31.570 25.500 16.432 1.00 10.43 ? 221 GLN B CA 1 ATOM 4140 C C . GLN B 1 141 ? -31.700 27.015 16.238 1.00 9.79 ? 221 GLN B C 1 ATOM 4141 O O . GLN B 1 141 ? -30.745 27.696 15.851 1.00 10.05 ? 221 GLN B O 1 ATOM 4142 C CB . GLN B 1 141 ? -30.106 25.088 16.590 1.00 14.10 ? 221 GLN B CB 1 ATOM 4143 C CG . GLN B 1 141 ? -29.434 25.653 17.815 1.00 17.31 ? 221 GLN B CG 1 ATOM 4144 C CD . GLN B 1 141 ? -28.220 24.849 18.240 1.00 23.79 ? 221 GLN B CD 1 ATOM 4145 O OE1 . GLN B 1 141 ? -27.822 23.888 17.571 1.00 27.38 ? 221 GLN B OE1 1 ATOM 4146 N NE2 . GLN B 1 141 ? -27.626 25.233 19.368 1.00 25.02 ? 221 GLN B NE2 1 ATOM 4147 N N . ILE B 1 142 ? -32.897 27.522 16.520 1.00 8.62 ? 222 ILE B N 1 ATOM 4148 C CA . ILE B 1 142 ? -33.220 28.946 16.400 1.00 8.63 ? 222 ILE B CA 1 ATOM 4149 C C . ILE B 1 142 ? -32.911 29.529 15.016 1.00 8.90 ? 222 ILE B C 1 ATOM 4150 O O . ILE B 1 142 ? -32.053 30.403 14.866 1.00 9.55 ? 222 ILE B O 1 ATOM 4151 C CB . ILE B 1 142 ? -32.577 29.796 17.527 1.00 8.32 ? 222 ILE B CB 1 ATOM 4152 C CG1 . ILE B 1 142 ? -32.788 29.120 18.886 1.00 9.24 ? 222 ILE B CG1 1 ATOM 4153 C CG2 . ILE B 1 142 ? -33.175 31.202 17.543 1.00 8.76 ? 222 ILE B CG2 1 ATOM 4154 C CD1 . ILE B 1 142 ? -32.156 29.859 20.043 1.00 9.88 ? 222 ILE B CD1 1 ATOM 4155 N N . LEU B 1 143 ? -33.623 29.034 14.007 1.00 8.36 ? 223 LEU B N 1 ATOM 4156 C CA . LEU B 1 143 ? -33.593 29.653 12.686 1.00 7.99 ? 223 LEU B CA 1 ATOM 4157 C C . LEU B 1 143 ? -33.787 31.157 12.850 1.00 7.61 ? 223 LEU B C 1 ATOM 4158 O O . LEU B 1 143 ? -34.707 31.599 13.533 1.00 8.28 ? 223 LEU B O 1 ATOM 4159 C CB . LEU B 1 143 ? -34.702 29.070 11.808 1.00 8.32 ? 223 LEU B CB 1 ATOM 4160 C CG . LEU B 1 143 ? -34.862 29.661 10.404 1.00 7.89 ? 223 LEU B CG 1 ATOM 4161 C CD1 . LEU B 1 143 ? -33.650 29.338 9.544 1.00 7.96 ? 223 LEU B CD1 1 ATOM 4162 C CD2 . LEU B 1 143 ? -36.137 29.138 9.746 1.00 8.96 ? 223 LEU B CD2 1 ATOM 4163 N N . ARG B 1 144 ? -32.921 31.952 12.232 1.00 7.16 ? 224 ARG B N 1 ATOM 4164 C CA . ARG B 1 144 ? -32.966 33.391 12.459 1.00 6.66 ? 224 ARG B CA 1 ATOM 4165 C C . ARG B 1 144 ? -32.412 34.154 11.267 1.00 7.93 ? 224 ARG B C 1 ATOM 4166 O O . ARG B 1 144 ? -31.683 33.594 10.449 1.00 9.13 ? 224 ARG B O 1 ATOM 4167 C CB . ARG B 1 144 ? -32.211 33.749 13.745 1.00 7.50 ? 224 ARG B CB 1 ATOM 4168 C CG . ARG B 1 144 ? -30.765 33.250 13.800 1.00 8.41 ? 224 ARG B CG 1 ATOM 4169 C CD . ARG B 1 144 ? -30.302 33.136 15.254 1.00 7.66 ? 224 ARG B CD 1 ATOM 4170 N NE . ARG B 1 144 ? -28.890 32.778 15.416 1.00 8.22 ? 224 ARG B NE 1 ATOM 4171 C CZ . ARG B 1 144 ? -28.429 31.530 15.483 1.00 8.75 ? 224 ARG B CZ 1 ATOM 4172 N NH1 . ARG B 1 144 ? -29.257 30.500 15.359 1.00 9.04 ? 224 ARG B NH1 1 ATOM 4173 N NH2 . ARG B 1 144 ? -27.133 31.309 15.663 1.00 10.24 ? 224 ARG B NH2 1 ATOM 4174 N N . THR B 1 145 ? -32.767 35.430 11.157 1.00 7.39 ? 225 THR B N 1 ATOM 4175 C CA . THR B 1 145 ? -32.368 36.191 9.983 1.00 7.55 ? 225 THR B CA 1 ATOM 4176 C C . THR B 1 145 ? -31.890 37.612 10.327 1.00 7.75 ? 225 THR B C 1 ATOM 4177 O O . THR B 1 145 ? -31.416 37.863 11.444 1.00 9.42 ? 225 THR B O 1 ATOM 4178 C CB . THR B 1 145 ? -33.472 36.140 8.888 1.00 8.57 ? 225 THR B CB 1 ATOM 4179 O OG1 . THR B 1 145 ? -32.974 36.678 7.656 1.00 9.94 ? 225 THR B OG1 1 ATOM 4180 C CG2 . THR B 1 145 ? -34.727 36.880 9.325 1.00 9.56 ? 225 THR B CG2 1 ATOM 4181 N N . GLN B 1 146 ? -31.996 38.531 9.373 1.00 7.99 ? 226 GLN B N 1 ATOM 4182 C CA . GLN B 1 146 ? -31.223 39.771 9.422 1.00 7.62 ? 226 GLN B CA 1 ATOM 4183 C C . GLN B 1 146 ? -31.631 40.795 10.484 1.00 7.13 ? 226 GLN B C 1 ATOM 4184 O O . GLN B 1 146 ? -30.776 41.473 11.054 1.00 7.43 ? 226 GLN B O 1 ATOM 4185 C CB . GLN B 1 146 ? -31.213 40.431 8.043 1.00 8.10 ? 226 GLN B CB 1 ATOM 4186 C CG . GLN B 1 146 ? -30.523 39.591 6.993 1.00 7.00 ? 226 GLN B CG 1 ATOM 4187 C CD . GLN B 1 146 ? -30.539 40.223 5.613 1.00 8.97 ? 226 GLN B CD 1 ATOM 4188 O OE1 . GLN B 1 146 ? -30.353 39.538 4.616 1.00 11.20 ? 226 GLN B OE1 1 ATOM 4189 N NE2 . GLN B 1 146 ? -30.767 41.534 5.549 1.00 10.49 ? 226 GLN B NE2 1 ATOM 4190 N N . GLU B 1 147 ? -32.929 40.900 10.744 1.00 8.13 ? 227 GLU B N 1 ATOM 4191 C CA . GLU B 1 147 ? -33.483 42.025 11.506 1.00 7.51 ? 227 GLU B CA 1 ATOM 4192 C C . GLU B 1 147 ? -33.155 43.357 10.827 1.00 6.75 ? 227 GLU B C 1 ATOM 4193 O O . GLU B 1 147 ? -32.982 44.386 11.489 1.00 7.67 ? 227 GLU B O 1 ATOM 4194 C CB . GLU B 1 147 ? -32.996 42.047 12.961 1.00 8.58 ? 227 GLU B CB 1 ATOM 4195 C CG . GLU B 1 147 ? -32.742 40.683 13.596 1.00 12.18 ? 227 GLU B CG 1 ATOM 4196 C CD . GLU B 1 147 ? -33.974 39.801 13.691 1.00 13.21 ? 227 GLU B CD 1 ATOM 4197 O OE1 . GLU B 1 147 ? -35.071 40.241 13.293 1.00 13.05 ? 227 GLU B OE1 1 ATOM 4198 O OE2 . GLU B 1 147 ? -33.836 38.653 14.174 1.00 12.64 ? 227 GLU B OE2 1 ATOM 4199 N N . SER B 1 148 ? -33.064 43.330 9.501 1.00 7.57 ? 228 SER B N 1 ATOM 4200 C CA . SER B 1 148 ? -32.939 44.553 8.716 1.00 7.95 ? 228 SER B CA 1 ATOM 4201 C C . SER B 1 148 ? -33.397 44.276 7.291 1.00 8.08 ? 228 SER B C 1 ATOM 4202 O O . SER B 1 148 ? -33.779 43.156 6.966 1.00 9.77 ? 228 SER B O 1 ATOM 4203 C CB . SER B 1 148 ? -31.510 45.103 8.748 1.00 8.93 ? 228 SER B CB 1 ATOM 4204 O OG . SER B 1 148 ? -30.598 44.223 8.118 1.00 10.06 ? 228 SER B OG 1 ATOM 4205 N N A SER B 1 149 ? -33.361 45.301 6.449 0.63 6.70 ? 229 SER B N 1 ATOM 4206 N N B SER B 1 149 ? -33.359 45.301 6.447 0.37 7.73 ? 229 SER B N 1 ATOM 4207 C CA A SER B 1 149 ? -33.891 45.193 5.096 0.63 7.15 ? 229 SER B CA 1 ATOM 4208 C CA B SER B 1 149 ? -33.884 45.200 5.089 0.37 8.27 ? 229 SER B CA 1 ATOM 4209 C C A SER B 1 149 ? -33.170 44.142 4.255 0.63 8.63 ? 229 SER B C 1 ATOM 4210 C C B SER B 1 149 ? -33.167 44.147 4.248 0.37 8.91 ? 229 SER B C 1 ATOM 4211 O O A SER B 1 149 ? -31.943 44.034 4.293 0.63 9.86 ? 229 SER B O 1 ATOM 4212 O O B SER B 1 149 ? -31.940 44.041 4.278 0.37 9.76 ? 229 SER B O 1 ATOM 4213 C CB A SER B 1 149 ? -33.826 46.554 4.405 0.63 7.13 ? 229 SER B CB 1 ATOM 4214 C CB B SER B 1 149 ? -33.814 46.562 4.392 0.37 8.82 ? 229 SER B CB 1 ATOM 4215 O OG A SER B 1 149 ? -32.508 47.073 4.447 0.63 7.72 ? 229 SER B OG 1 ATOM 4216 O OG B SER B 1 149 ? -34.170 46.463 3.023 0.37 9.75 ? 229 SER B OG 1 ATOM 4217 N N . CYS B 1 150 ? -33.941 43.363 3.502 1.00 8.24 ? 230 CYS B N 1 ATOM 4218 C CA . CYS B 1 150 ? -33.360 42.467 2.515 1.00 9.11 ? 230 CYS B CA 1 ATOM 4219 C C . CYS B 1 150 ? -33.045 43.291 1.267 1.00 8.30 ? 230 CYS B C 1 ATOM 4220 O O . CYS B 1 150 ? -33.202 44.513 1.270 1.00 9.86 ? 230 CYS B O 1 ATOM 4221 C CB . CYS B 1 150 ? -34.250 41.244 2.215 1.00 10.19 ? 230 CYS B CB 1 ATOM 4222 S SG . CYS B 1 150 ? -36.058 41.481 2.247 1.00 12.99 ? 230 CYS B SG 1 ATOM 4223 N N . VAL B 1 151 ? -32.580 42.637 0.212 1.00 8.60 ? 231 VAL B N 1 ATOM 4224 C CA . VAL B 1 151 ? -32.150 43.349 -0.989 1.00 9.09 ? 231 VAL B CA 1 ATOM 4225 C C . VAL B 1 151 ? -32.838 42.769 -2.213 1.00 9.50 ? 231 VAL B C 1 ATOM 4226 O O . VAL B 1 151 ? -32.806 41.560 -2.429 1.00 11.29 ? 231 VAL B O 1 ATOM 4227 C CB . VAL B 1 151 ? -30.622 43.266 -1.168 1.00 9.49 ? 231 VAL B CB 1 ATOM 4228 C CG1 . VAL B 1 151 ? -30.197 43.842 -2.528 1.00 10.07 ? 231 VAL B CG1 1 ATOM 4229 C CG2 . VAL B 1 151 ? -29.917 43.989 -0.020 1.00 11.89 ? 231 VAL B CG2 1 ATOM 4230 N N . CYS B 1 152 ? -33.469 43.631 -3.006 1.00 9.96 ? 232 CYS B N 1 ATOM 4231 C CA . CYS B 1 152 ? -34.114 43.212 -4.247 1.00 10.73 ? 232 CYS B CA 1 ATOM 4232 C C . CYS B 1 152 ? -33.426 43.867 -5.433 1.00 11.92 ? 232 CYS B C 1 ATOM 4233 O O . CYS B 1 152 ? -33.195 45.074 -5.437 1.00 12.25 ? 232 CYS B O 1 ATOM 4234 C CB . CYS B 1 152 ? -35.596 43.596 -4.264 1.00 12.15 ? 232 CYS B CB 1 ATOM 4235 S SG . CYS B 1 152 ? -36.609 42.886 -2.933 1.00 13.43 ? 232 CYS B SG 1 ATOM 4236 N N . MET B 1 153 ? -33.094 43.059 -6.430 1.00 11.83 ? 233 MET B N 1 ATOM 4237 C CA . MET B 1 153 ? -32.546 43.555 -7.682 1.00 11.91 ? 233 MET B CA 1 ATOM 4238 C C . MET B 1 153 ? -33.213 42.812 -8.825 1.00 11.40 ? 233 MET B C 1 ATOM 4239 O O . MET B 1 153 ? -33.318 41.583 -8.796 1.00 12.58 ? 233 MET B O 1 ATOM 4240 C CB . MET B 1 153 ? -31.033 43.334 -7.742 1.00 13.68 ? 233 MET B CB 1 ATOM 4241 C CG . MET B 1 153 ? -30.264 44.001 -6.614 1.00 15.72 ? 233 MET B CG 1 ATOM 4242 S SD . MET B 1 153 ? -28.482 43.723 -6.708 1.00 18.29 ? 233 MET B SD 1 ATOM 4243 C CE . MET B 1 153 ? -28.405 41.956 -6.417 1.00 18.10 ? 233 MET B CE 1 ATOM 4244 N N . ASN B 1 154 ? -33.673 43.558 -9.824 1.00 12.88 ? 234 ASN B N 1 ATOM 4245 C CA . ASN B 1 154 ? -34.228 42.963 -11.038 1.00 14.95 ? 234 ASN B CA 1 ATOM 4246 C C . ASN B 1 154 ? -35.361 41.981 -10.759 1.00 15.01 ? 234 ASN B C 1 ATOM 4247 O O . ASN B 1 154 ? -35.555 41.025 -11.507 1.00 17.52 ? 234 ASN B O 1 ATOM 4248 C CB . ASN B 1 154 ? -33.130 42.267 -11.850 1.00 17.23 ? 234 ASN B CB 1 ATOM 4249 C CG . ASN B 1 154 ? -32.044 43.224 -12.313 1.00 19.68 ? 234 ASN B CG 1 ATOM 4250 O OD1 . ASN B 1 154 ? -32.324 44.352 -12.715 1.00 20.17 ? 234 ASN B OD1 1 ATOM 4251 N ND2 . ASN B 1 154 ? -30.795 42.770 -12.264 1.00 20.39 ? 234 ASN B ND2 1 ATOM 4252 N N . GLY B 1 155 ? -36.101 42.209 -9.678 1.00 13.23 ? 235 GLY B N 1 ATOM 4253 C CA . GLY B 1 155 ? -37.249 41.374 -9.362 1.00 11.96 ? 235 GLY B CA 1 ATOM 4254 C C . GLY B 1 155 ? -36.951 40.169 -8.485 1.00 12.40 ? 235 GLY B C 1 ATOM 4255 O O . GLY B 1 155 ? -37.857 39.407 -8.139 1.00 13.40 ? 235 GLY B O 1 ATOM 4256 N N . ASN B 1 156 ? -35.684 39.987 -8.129 1.00 11.29 ? 236 ASN B N 1 ATOM 4257 C CA . ASN B 1 156 ? -35.295 38.934 -7.194 1.00 11.30 ? 236 ASN B CA 1 ATOM 4258 C C . ASN B 1 156 ? -34.898 39.538 -5.864 1.00 10.83 ? 236 ASN B C 1 ATOM 4259 O O . ASN B 1 156 ? -34.220 40.564 -5.827 1.00 12.96 ? 236 ASN B O 1 ATOM 4260 C CB . ASN B 1 156 ? -34.118 38.133 -7.746 1.00 12.98 ? 236 ASN B CB 1 ATOM 4261 C CG . ASN B 1 156 ? -34.422 37.498 -9.085 1.00 15.49 ? 236 ASN B CG 1 ATOM 4262 O OD1 . ASN B 1 156 ? -33.650 37.626 -10.039 1.00 18.38 ? 236 ASN B OD1 1 ATOM 4263 N ND2 . ASN B 1 156 ? -35.548 36.811 -9.166 1.00 15.62 ? 236 ASN B ND2 1 ATOM 4264 N N . CYS B 1 157 ? -35.309 38.901 -4.772 1.00 10.12 ? 237 CYS B N 1 ATOM 4265 C CA . CYS B 1 157 ? -34.976 39.395 -3.442 1.00 10.00 ? 237 CYS B CA 1 ATOM 4266 C C . CYS B 1 157 ? -34.130 38.381 -2.676 1.00 11.07 ? 237 CYS B C 1 ATOM 4267 O O . CYS B 1 157 ? -34.357 37.172 -2.767 1.00 12.86 ? 237 CYS B O 1 ATOM 4268 C CB . CYS B 1 157 ? -36.247 39.750 -2.672 1.00 11.55 ? 237 CYS B CB 1 ATOM 4269 S SG . CYS B 1 157 ? -37.242 41.023 -3.497 1.00 14.52 ? 237 CYS B SG 1 ATOM 4270 N N . TYR B 1 158 ? -33.152 38.888 -1.933 1.00 9.61 ? 238 TYR B N 1 ATOM 4271 C CA . TYR B 1 158 ? -32.129 38.056 -1.313 1.00 8.97 ? 238 TYR B CA 1 ATOM 4272 C C . TYR B 1 158 ? -32.024 38.356 0.169 1.00 9.45 ? 238 TYR B C 1 ATOM 4273 O O . TYR B 1 158 ? -32.134 39.510 0.581 1.00 10.55 ? 238 TYR B O 1 ATOM 4274 C CB . TYR B 1 158 ? -30.765 38.345 -1.949 1.00 9.47 ? 238 TYR B CB 1 ATOM 4275 C CG . TYR B 1 158 ? -30.707 38.175 -3.449 1.00 9.92 ? 238 TYR B CG 1 ATOM 4276 C CD1 . TYR B 1 158 ? -30.265 36.987 -4.015 1.00 10.55 ? 238 TYR B CD1 1 ATOM 4277 C CD2 . TYR B 1 158 ? -31.077 39.207 -4.300 1.00 11.04 ? 238 TYR B CD2 1 ATOM 4278 C CE1 . TYR B 1 158 ? -30.199 36.827 -5.384 1.00 11.14 ? 238 TYR B CE1 1 ATOM 4279 C CE2 . TYR B 1 158 ? -31.018 39.057 -5.672 1.00 11.53 ? 238 TYR B CE2 1 ATOM 4280 C CZ . TYR B 1 158 ? -30.576 37.866 -6.210 1.00 12.22 ? 238 TYR B CZ 1 ATOM 4281 O OH . TYR B 1 158 ? -30.514 37.711 -7.578 1.00 14.02 ? 238 TYR B OH 1 ATOM 4282 N N . TRP B 1 159 ? -31.787 37.326 0.974 1.00 8.51 ? 239 TRP B N 1 ATOM 4283 C CA . TRP B 1 159 ? -31.524 37.541 2.393 1.00 8.19 ? 239 TRP B CA 1 ATOM 4284 C C . TRP B 1 159 ? -30.675 36.413 2.958 1.00 7.98 ? 239 TRP B C 1 ATOM 4285 O O . TRP B 1 159 ? -30.504 35.374 2.321 1.00 9.36 ? 239 TRP B O 1 ATOM 4286 C CB . TRP B 1 159 ? -32.831 37.694 3.187 1.00 8.19 ? 239 TRP B CB 1 ATOM 4287 C CG . TRP B 1 159 ? -33.660 36.449 3.279 1.00 8.23 ? 239 TRP B CG 1 ATOM 4288 C CD1 . TRP B 1 159 ? -33.622 35.510 4.269 1.00 10.00 ? 239 TRP B CD1 1 ATOM 4289 C CD2 . TRP B 1 159 ? -34.664 36.014 2.352 1.00 9.46 ? 239 TRP B CD2 1 ATOM 4290 N NE1 . TRP B 1 159 ? -34.541 34.520 4.017 1.00 10.98 ? 239 TRP B NE1 1 ATOM 4291 C CE2 . TRP B 1 159 ? -35.189 34.802 2.843 1.00 10.61 ? 239 TRP B CE2 1 ATOM 4292 C CE3 . TRP B 1 159 ? -35.167 36.532 1.155 1.00 11.08 ? 239 TRP B CE3 1 ATOM 4293 C CZ2 . TRP B 1 159 ? -36.193 34.094 2.177 1.00 12.00 ? 239 TRP B CZ2 1 ATOM 4294 C CZ3 . TRP B 1 159 ? -36.169 35.830 0.495 1.00 13.25 ? 239 TRP B CZ3 1 ATOM 4295 C CH2 . TRP B 1 159 ? -36.671 34.626 1.010 1.00 13.06 ? 239 TRP B CH2 1 ATOM 4296 N N . VAL B 1 160 ? -30.142 36.630 4.156 1.00 7.31 ? 240 VAL B N 1 ATOM 4297 C CA . VAL B 1 160 ? -29.248 35.672 4.788 1.00 8.51 ? 240 VAL B CA 1 ATOM 4298 C C . VAL B 1 160 ? -29.893 35.132 6.055 1.00 8.34 ? 240 VAL B C 1 ATOM 4299 O O . VAL B 1 160 ? -30.477 35.894 6.838 1.00 8.74 ? 240 VAL B O 1 ATOM 4300 C CB . VAL B 1 160 ? -27.894 36.328 5.139 1.00 9.69 ? 240 VAL B CB 1 ATOM 4301 C CG1 . VAL B 1 160 ? -26.973 35.330 5.846 1.00 9.94 ? 240 VAL B CG1 1 ATOM 4302 C CG2 . VAL B 1 160 ? -27.236 36.869 3.881 1.00 10.99 ? 240 VAL B CG2 1 ATOM 4303 N N . MET B 1 161 ? -29.791 33.820 6.254 1.00 8.42 ? 241 MET B N 1 ATOM 4304 C CA . MET B 1 161 ? -30.328 33.188 7.453 1.00 8.87 ? 241 MET B CA 1 ATOM 4305 C C . MET B 1 161 ? -29.259 32.336 8.134 1.00 8.42 ? 241 MET B C 1 ATOM 4306 O O . MET B 1 161 ? -28.333 31.854 7.485 1.00 9.88 ? 241 MET B O 1 ATOM 4307 C CB . MET B 1 161 ? -31.535 32.310 7.119 1.00 10.76 ? 241 MET B CB 1 ATOM 4308 C CG . MET B 1 161 ? -32.611 32.985 6.299 1.00 12.63 ? 241 MET B CG 1 ATOM 4309 S SD . MET B 1 161 ? -34.057 31.911 6.133 1.00 15.76 ? 241 MET B SD 1 ATOM 4310 C CE . MET B 1 161 ? -34.927 32.405 7.597 1.00 11.98 ? 241 MET B CE 1 ATOM 4311 N N . THR B 1 162 ? -29.413 32.144 9.439 1.00 6.38 ? 242 THR B N 1 ATOM 4312 C CA . THR B 1 162 ? -28.507 31.321 10.230 1.00 7.18 ? 242 THR B CA 1 ATOM 4313 C C . THR B 1 162 ? -29.314 30.312 11.036 1.00 8.88 ? 242 THR B C 1 ATOM 4314 O O . THR B 1 162 ? -30.435 30.594 11.454 1.00 8.42 ? 242 THR B O 1 ATOM 4315 C CB . THR B 1 162 ? -27.681 32.204 11.183 1.00 9.46 ? 242 THR B CB 1 ATOM 4316 O OG1 . THR B 1 162 ? -26.906 33.124 10.406 1.00 9.94 ? 242 THR B OG1 1 ATOM 4317 C CG2 . THR B 1 162 ? -26.744 31.369 12.058 1.00 10.81 ? 242 THR B CG2 1 ATOM 4318 N N . ASP B 1 163 ? -28.746 29.130 11.244 1.00 9.03 ? 243 ASP B N 1 ATOM 4319 C CA . ASP B 1 163 ? -29.389 28.098 12.050 1.00 9.34 ? 243 ASP B CA 1 ATOM 4320 C C . ASP B 1 163 ? -28.273 27.344 12.756 1.00 8.66 ? 243 ASP B C 1 ATOM 4321 O O . ASP B 1 163 ? -27.275 26.995 12.133 1.00 9.36 ? 243 ASP B O 1 ATOM 4322 C CB . ASP B 1 163 ? -30.204 27.163 11.150 1.00 9.61 ? 243 ASP B CB 1 ATOM 4323 C CG . ASP B 1 163 ? -31.303 26.414 11.897 1.00 10.83 ? 243 ASP B CG 1 ATOM 4324 O OD1 . ASP B 1 163 ? -31.263 26.321 13.142 1.00 11.89 ? 243 ASP B OD1 1 ATOM 4325 O OD2 . ASP B 1 163 ? -32.214 25.907 11.215 1.00 10.27 ? 243 ASP B OD2 1 ATOM 4326 N N . GLY B 1 164 ? -28.414 27.118 14.058 1.00 8.40 ? 244 GLY B N 1 ATOM 4327 C CA . GLY B 1 164 ? -27.342 26.512 14.827 1.00 8.56 ? 244 GLY B CA 1 ATOM 4328 C C . GLY B 1 164 ? -26.950 27.342 16.035 1.00 9.27 ? 244 GLY B C 1 ATOM 4329 O O . GLY B 1 164 ? -27.591 28.343 16.342 1.00 9.41 ? 244 GLY B O 1 ATOM 4330 N N . PRO B 1 165 ? -25.884 26.928 16.731 1.00 10.21 ? 245 PRO B N 1 ATOM 4331 C CA . PRO B 1 165 ? -25.470 27.565 17.988 1.00 9.87 ? 245 PRO B CA 1 ATOM 4332 C C . PRO B 1 165 ? -25.204 29.064 17.888 1.00 9.47 ? 245 PRO B C 1 ATOM 4333 O O . PRO B 1 165 ? -24.726 29.567 16.864 1.00 9.65 ? 245 PRO B O 1 ATOM 4334 C CB . PRO B 1 165 ? -24.178 26.823 18.341 1.00 11.80 ? 245 PRO B CB 1 ATOM 4335 C CG . PRO B 1 165 ? -24.345 25.481 17.713 1.00 10.75 ? 245 PRO B CG 1 ATOM 4336 C CD . PRO B 1 165 ? -25.069 25.740 16.422 1.00 10.09 ? 245 PRO B CD 1 ATOM 4337 N N . ALA B 1 166 ? -25.510 29.765 18.973 1.00 9.53 ? 246 ALA B N 1 ATOM 4338 C CA . ALA B 1 166 ? -25.259 31.197 19.068 1.00 9.80 ? 246 ALA B CA 1 ATOM 4339 C C . ALA B 1 166 ? -23.799 31.493 19.400 1.00 10.94 ? 246 ALA B C 1 ATOM 4340 O O . ALA B 1 166 ? -23.302 32.580 19.104 1.00 12.57 ? 246 ALA B O 1 ATOM 4341 C CB . ALA B 1 166 ? -26.154 31.813 20.121 1.00 11.44 ? 246 ALA B CB 1 ATOM 4342 N N . ASN B 1 167 ? -23.123 30.533 20.028 1.00 10.96 ? 247 ASN B N 1 ATOM 4343 C CA . ASN B 1 167 ? -21.778 30.762 20.563 1.00 12.47 ? 247 ASN B CA 1 ATOM 4344 C C . ASN B 1 167 ? -20.739 29.750 20.089 1.00 11.58 ? 247 ASN B C 1 ATOM 4345 O O . ASN B 1 167 ? -19.730 29.534 20.760 1.00 12.61 ? 247 ASN B O 1 ATOM 4346 C CB . ASN B 1 167 ? -21.790 30.730 22.095 1.00 14.09 ? 247 ASN B CB 1 ATOM 4347 C CG . ASN B 1 167 ? -22.568 31.865 22.708 1.00 17.22 ? 247 ASN B CG 1 ATOM 4348 O OD1 . ASN B 1 167 ? -23.090 31.735 23.817 1.00 18.78 ? 247 ASN B OD1 1 ATOM 4349 N ND2 . ASN B 1 167 ? -22.653 32.987 22.001 1.00 17.42 ? 247 ASN B ND2 1 ATOM 4350 N N . SER B 1 168 ? -20.990 29.116 18.950 1.00 10.42 ? 248 SER B N 1 ATOM 4351 C CA . SER B 1 168 ? -20.010 28.225 18.339 1.00 10.41 ? 248 SER B CA 1 ATOM 4352 C C . SER B 1 168 ? -20.404 28.014 16.882 1.00 9.62 ? 248 SER B C 1 ATOM 4353 O O . SER B 1 168 ? -21.350 28.635 16.406 1.00 10.15 ? 248 SER B O 1 ATOM 4354 C CB . SER B 1 168 ? -19.890 26.897 19.104 1.00 10.68 ? 248 SER B CB 1 ATOM 4355 O OG . SER B 1 168 ? -21.106 26.169 19.102 1.00 12.58 ? 248 SER B OG 1 ATOM 4356 N N . GLN B 1 169 ? -19.676 27.164 16.167 1.00 9.32 ? 249 GLN B N 1 ATOM 4357 C CA . GLN B 1 169 ? -19.920 26.998 14.737 1.00 9.91 ? 249 GLN B CA 1 ATOM 4358 C C . GLN B 1 169 ? -21.393 26.751 14.433 1.00 9.98 ? 249 GLN B C 1 ATOM 4359 O O . GLN B 1 169 ? -22.012 25.850 15.002 1.00 10.54 ? 249 GLN B O 1 ATOM 4360 C CB . GLN B 1 169 ? -19.089 25.843 14.179 1.00 9.61 ? 249 GLN B CB 1 ATOM 4361 C CG . GLN B 1 169 ? -19.186 25.698 12.671 1.00 10.79 ? 249 GLN B CG 1 ATOM 4362 C CD . GLN B 1 169 ? -18.342 26.719 11.939 1.00 12.00 ? 249 GLN B CD 1 ATOM 4363 O OE1 . GLN B 1 169 ? -17.121 26.755 12.099 1.00 13.97 ? 249 GLN B OE1 1 ATOM 4364 N NE2 . GLN B 1 169 ? -18.985 27.555 11.130 1.00 13.39 ? 249 GLN B NE2 1 ATOM 4365 N N . ALA B 1 170 ? -21.943 27.543 13.518 1.00 9.79 ? 250 ALA B N 1 ATOM 4366 C CA . ALA B 1 170 ? -23.311 27.339 13.073 1.00 9.33 ? 250 ALA B CA 1 ATOM 4367 C C . ALA B 1 170 ? -23.347 27.233 11.555 1.00 8.96 ? 250 ALA B C 1 ATOM 4368 O O . ALA B 1 170 ? -22.303 27.074 10.910 1.00 9.62 ? 250 ALA B O 1 ATOM 4369 C CB . ALA B 1 170 ? -24.207 28.457 13.569 1.00 9.55 ? 250 ALA B CB 1 ATOM 4370 N N . SER B 1 171 ? -24.547 27.304 10.987 1.00 8.92 ? 251 SER B N 1 ATOM 4371 C CA . SER B 1 171 ? -24.728 27.158 9.549 1.00 9.77 ? 251 SER B CA 1 ATOM 4372 C C . SER B 1 171 ? -25.343 28.432 8.972 1.00 8.72 ? 251 SER B C 1 ATOM 4373 O O . SER B 1 171 ? -26.300 28.968 9.535 1.00 9.88 ? 251 SER B O 1 ATOM 4374 C CB . SER B 1 171 ? -25.628 25.955 9.256 1.00 10.70 ? 251 SER B CB 1 ATOM 4375 O OG . SER B 1 171 ? -25.865 25.813 7.864 1.00 13.25 ? 251 SER B OG 1 ATOM 4376 N N . TYR B 1 172 ? -24.793 28.908 7.853 1.00 9.43 ? 252 TYR B N 1 ATOM 4377 C CA . TYR B 1 172 ? -25.189 30.193 7.269 1.00 9.32 ? 252 TYR B CA 1 ATOM 4378 C C . TYR B 1 172 ? -25.602 29.998 5.815 1.00 9.84 ? 252 TYR B C 1 ATOM 4379 O O . TYR B 1 172 ? -24.886 29.357 5.045 1.00 11.15 ? 252 TYR B O 1 ATOM 4380 C CB . TYR B 1 172 ? -24.028 31.196 7.387 1.00 9.10 ? 252 TYR B CB 1 ATOM 4381 C CG . TYR B 1 172 ? -23.186 30.909 8.608 1.00 8.83 ? 252 TYR B CG 1 ATOM 4382 C CD1 . TYR B 1 172 ? -23.692 31.126 9.883 1.00 9.09 ? 252 TYR B CD1 1 ATOM 4383 C CD2 . TYR B 1 172 ? -21.905 30.379 8.488 1.00 8.52 ? 252 TYR B CD2 1 ATOM 4384 C CE1 . TYR B 1 172 ? -22.946 30.835 11.007 1.00 9.68 ? 252 TYR B CE1 1 ATOM 4385 C CE2 . TYR B 1 172 ? -21.144 30.086 9.608 1.00 8.91 ? 252 TYR B CE2 1 ATOM 4386 C CZ . TYR B 1 172 ? -21.672 30.311 10.864 1.00 8.91 ? 252 TYR B CZ 1 ATOM 4387 O OH . TYR B 1 172 ? -20.930 30.020 11.981 1.00 9.75 ? 252 TYR B OH 1 ATOM 4388 N N . LYS B 1 173 ? -26.769 30.526 5.450 1.00 8.02 ? 253 LYS B N 1 ATOM 4389 C CA . LYS B 1 173 ? -27.305 30.341 4.103 1.00 8.69 ? 253 LYS B CA 1 ATOM 4390 C C . LYS B 1 173 ? -27.822 31.635 3.481 1.00 9.38 ? 253 LYS B C 1 ATOM 4391 O O . LYS B 1 173 ? -28.422 32.468 4.162 1.00 9.53 ? 253 LYS B O 1 ATOM 4392 C CB . LYS B 1 173 ? -28.445 29.320 4.111 1.00 10.18 ? 253 LYS B CB 1 ATOM 4393 C CG . LYS B 1 173 ? -28.008 27.867 4.252 1.00 10.94 ? 253 LYS B CG 1 ATOM 4394 C CD . LYS B 1 173 ? -29.199 26.934 4.097 1.00 12.58 ? 253 LYS B CD 1 ATOM 4395 C CE . LYS B 1 173 ? -28.792 25.483 4.316 1.00 14.87 ? 253 LYS B CE 1 ATOM 4396 N NZ . LYS B 1 173 ? -29.932 24.549 4.098 1.00 15.65 ? 253 LYS B NZ 1 ATOM 4397 N N . ILE B 1 174 ? -27.588 31.780 2.178 1.00 8.41 ? 254 ILE B N 1 ATOM 4398 C CA . ILE B 1 174 ? -28.152 32.867 1.388 1.00 9.57 ? 254 ILE B CA 1 ATOM 4399 C C . ILE B 1 174 ? -29.378 32.340 0.656 1.00 10.17 ? 254 ILE B C 1 ATOM 4400 O O . ILE B 1 174 ? -29.362 31.230 0.115 1.00 10.25 ? 254 ILE B O 1 ATOM 4401 C CB . ILE B 1 174 ? -27.157 33.377 0.325 1.00 10.92 ? 254 ILE B CB 1 ATOM 4402 C CG1 . ILE B 1 174 ? -25.822 33.752 0.963 1.00 11.31 ? 254 ILE B CG1 1 ATOM 4403 C CG2 . ILE B 1 174 ? -27.734 34.571 -0.430 1.00 13.48 ? 254 ILE B CG2 1 ATOM 4404 C CD1 . ILE B 1 174 ? -24.668 33.808 -0.044 1.00 13.38 ? 254 ILE B CD1 1 ATOM 4405 N N . PHE B 1 175 ? -30.438 33.137 0.645 1.00 9.21 ? 255 PHE B N 1 ATOM 4406 C CA . PHE B 1 175 ? -31.681 32.753 -0.013 1.00 9.40 ? 255 PHE B CA 1 ATOM 4407 C C . PHE B 1 175 ? -32.021 33.718 -1.134 1.00 10.12 ? 255 PHE B C 1 ATOM 4408 O O . PHE B 1 175 ? -31.774 34.915 -1.023 1.00 11.50 ? 255 PHE B O 1 ATOM 4409 C CB . PHE B 1 175 ? -32.826 32.693 1.005 1.00 10.30 ? 255 PHE B CB 1 ATOM 4410 C CG . PHE B 1 175 ? -32.734 31.519 1.929 1.00 11.52 ? 255 PHE B CG 1 ATOM 4411 C CD1 . PHE B 1 175 ? -33.405 30.343 1.643 1.00 12.85 ? 255 PHE B CD1 1 ATOM 4412 C CD2 . PHE B 1 175 ? -31.940 31.575 3.065 1.00 11.68 ? 255 PHE B CD2 1 ATOM 4413 C CE1 . PHE B 1 175 ? -33.306 29.248 2.483 1.00 13.15 ? 255 PHE B CE1 1 ATOM 4414 C CE2 . PHE B 1 175 ? -31.834 30.484 3.907 1.00 13.65 ? 255 PHE B CE2 1 ATOM 4415 C CZ . PHE B 1 175 ? -32.515 29.321 3.616 1.00 12.51 ? 255 PHE B CZ 1 ATOM 4416 N N . LYS B 1 176 ? -32.584 33.178 -2.209 1.00 10.40 ? 256 LYS B N 1 ATOM 4417 C CA . LYS B 1 176 ? -33.048 33.971 -3.332 1.00 10.34 ? 256 LYS B CA 1 ATOM 4418 C C . LYS B 1 176 ? -34.533 33.705 -3.526 1.00 10.96 ? 256 LYS B C 1 ATOM 4419 O O . LYS B 1 176 ? -34.987 32.567 -3.391 1.00 11.57 ? 256 LYS B O 1 ATOM 4420 C CB . LYS B 1 176 ? -32.294 33.581 -4.601 1.00 11.25 ? 256 LYS B CB 1 ATOM 4421 C CG . LYS B 1 176 ? -32.735 34.350 -5.835 1.00 12.92 ? 256 LYS B CG 1 ATOM 4422 C CD . LYS B 1 176 ? -31.943 33.914 -7.056 1.00 14.30 ? 256 LYS B CD 1 ATOM 4423 C CE . LYS B 1 176 ? -32.185 34.859 -8.222 1.00 16.56 ? 256 LYS B CE 1 ATOM 4424 N NZ . LYS B 1 176 ? -31.237 34.635 -9.344 1.00 19.10 ? 256 LYS B NZ 1 ATOM 4425 N N . SER B 1 177 ? -35.285 34.752 -3.846 1.00 10.76 ? 257 SER B N 1 ATOM 4426 C CA . SER B 1 177 ? -36.714 34.608 -4.088 1.00 10.89 ? 257 SER B CA 1 ATOM 4427 C C . SER B 1 177 ? -37.183 35.462 -5.258 1.00 11.34 ? 257 SER B C 1 ATOM 4428 O O . SER B 1 177 ? -36.536 36.441 -5.634 1.00 11.69 ? 257 SER B O 1 ATOM 4429 C CB . SER B 1 177 ? -37.505 34.992 -2.838 1.00 11.52 ? 257 SER B CB 1 ATOM 4430 O OG . SER B 1 177 ? -37.358 36.375 -2.574 1.00 13.18 ? 257 SER B OG 1 ATOM 4431 N N . HIS B 1 178 ? -38.323 35.075 -5.821 1.00 10.51 ? 258 HIS B N 1 ATOM 4432 C CA . HIS B 1 178 ? -38.987 35.844 -6.862 1.00 11.43 ? 258 HIS B CA 1 ATOM 4433 C C . HIS B 1 178 ? -40.485 35.774 -6.605 1.00 12.96 ? 258 HIS B C 1 ATOM 4434 O O . HIS B 1 178 ? -41.059 34.686 -6.518 1.00 11.51 ? 258 HIS B O 1 ATOM 4435 C CB . HIS B 1 178 ? -38.644 35.295 -8.252 1.00 13.03 ? 258 HIS B CB 1 ATOM 4436 C CG . HIS B 1 178 ? -39.318 36.022 -9.376 1.00 14.89 ? 258 HIS B CG 1 ATOM 4437 N ND1 . HIS B 1 178 ? -39.069 37.348 -9.662 1.00 17.06 ? 258 HIS B ND1 1 ATOM 4438 C CD2 . HIS B 1 178 ? -40.224 35.604 -10.291 1.00 15.70 ? 258 HIS B CD2 1 ATOM 4439 C CE1 . HIS B 1 178 ? -39.796 37.717 -10.702 1.00 17.88 ? 258 HIS B CE1 1 ATOM 4440 N NE2 . HIS B 1 178 ? -40.506 36.678 -11.103 1.00 17.83 ? 258 HIS B NE2 1 ATOM 4441 N N . GLU B 1 179 ? -41.102 36.942 -6.461 1.00 12.29 ? 259 GLU B N 1 ATOM 4442 C CA . GLU B 1 179 ? -42.525 37.047 -6.148 1.00 14.97 ? 259 GLU B CA 1 ATOM 4443 C C . GLU B 1 179 ? -42.923 36.166 -4.964 1.00 14.38 ? 259 GLU B C 1 ATOM 4444 O O . GLU B 1 179 ? -43.963 35.503 -4.968 1.00 14.60 ? 259 GLU B O 1 ATOM 4445 C CB . GLU B 1 179 ? -43.365 36.773 -7.394 1.00 18.43 ? 259 GLU B CB 1 ATOM 4446 C CG . GLU B 1 179 ? -43.048 37.767 -8.502 1.00 22.16 ? 259 GLU B CG 1 ATOM 4447 C CD . GLU B 1 179 ? -43.945 37.642 -9.712 1.00 27.32 ? 259 GLU B CD 1 ATOM 4448 O OE1 . GLU B 1 179 ? -44.093 36.522 -10.242 1.00 28.24 ? 259 GLU B OE1 1 ATOM 4449 O OE2 . GLU B 1 179 ? -44.487 38.682 -10.145 1.00 29.60 ? 259 GLU B OE2 1 ATOM 4450 N N . GLY B 1 180 ? -42.074 36.173 -3.943 1.00 12.29 ? 260 GLY B N 1 ATOM 4451 C CA . GLY B 1 180 ? -42.387 35.519 -2.688 1.00 11.08 ? 260 GLY B CA 1 ATOM 4452 C C . GLY B 1 180 ? -42.102 34.031 -2.658 1.00 11.51 ? 260 GLY B C 1 ATOM 4453 O O . GLY B 1 180 ? -42.341 33.382 -1.644 1.00 12.06 ? 260 GLY B O 1 ATOM 4454 N N . MET B 1 181 ? -41.596 33.487 -3.762 1.00 11.16 ? 261 MET B N 1 ATOM 4455 C CA . MET B 1 181 ? -41.233 32.075 -3.803 1.00 12.45 ? 261 MET B CA 1 ATOM 4456 C C . MET B 1 181 ? -39.726 31.928 -3.680 1.00 12.01 ? 261 MET B C 1 ATOM 4457 O O . MET B 1 181 ? -38.979 32.609 -4.376 1.00 12.55 ? 261 MET B O 1 ATOM 4458 C CB . MET B 1 181 ? -41.681 31.432 -5.117 1.00 14.46 ? 261 MET B CB 1 ATOM 4459 C CG . MET B 1 181 ? -43.121 31.699 -5.482 1.00 17.19 ? 261 MET B CG 1 ATOM 4460 S SD . MET B 1 181 ? -44.269 31.136 -4.214 1.00 19.29 ? 261 MET B SD 1 ATOM 4461 C CE . MET B 1 181 ? -43.901 29.384 -4.153 1.00 20.30 ? 261 MET B CE 1 ATOM 4462 N N . VAL B 1 182 ? -39.275 31.038 -2.802 1.00 11.93 ? 262 VAL B N 1 ATOM 4463 C CA . VAL B 1 182 ? -37.848 30.741 -2.717 1.00 12.12 ? 262 VAL B CA 1 ATOM 4464 C C . VAL B 1 182 ? -37.416 29.965 -3.954 1.00 13.29 ? 262 VAL B C 1 ATOM 4465 O O . VAL B 1 182 ? -37.962 28.901 -4.254 1.00 15.47 ? 262 VAL B O 1 ATOM 4466 C CB . VAL B 1 182 ? -37.503 29.928 -1.460 1.00 13.47 ? 262 VAL B CB 1 ATOM 4467 C CG1 . VAL B 1 182 ? -36.012 29.584 -1.439 1.00 13.85 ? 262 VAL B CG1 1 ATOM 4468 C CG2 . VAL B 1 182 ? -37.896 30.702 -0.221 1.00 14.56 ? 262 VAL B CG2 1 ATOM 4469 N N . THR B 1 183 ? -36.433 30.497 -4.670 1.00 11.66 ? 263 THR B N 1 ATOM 4470 C CA . THR B 1 183 ? -36.014 29.894 -5.929 1.00 12.92 ? 263 THR B CA 1 ATOM 4471 C C . THR B 1 183 ? -34.590 29.351 -5.894 1.00 13.05 ? 263 THR B C 1 ATOM 4472 O O . THR B 1 183 ? -34.168 28.661 -6.821 1.00 14.31 ? 263 THR B O 1 ATOM 4473 C CB . THR B 1 183 ? -36.147 30.884 -7.093 1.00 14.62 ? 263 THR B CB 1 ATOM 4474 O OG1 . THR B 1 183 ? -35.355 32.045 -6.822 1.00 15.63 ? 263 THR B OG1 1 ATOM 4475 C CG2 . THR B 1 183 ? -37.611 31.297 -7.279 1.00 15.92 ? 263 THR B CG2 1 ATOM 4476 N N . ASN B 1 184 ? -33.849 29.667 -4.837 1.00 13.05 ? 264 ASN B N 1 ATOM 4477 C CA . ASN B 1 184 ? -32.501 29.140 -4.685 1.00 13.01 ? 264 ASN B CA 1 ATOM 4478 C C . ASN B 1 184 ? -31.968 29.389 -3.283 1.00 11.82 ? 264 ASN B C 1 ATOM 4479 O O . ASN B 1 184 ? -32.422 30.299 -2.586 1.00 11.25 ? 264 ASN B O 1 ATOM 4480 C CB . ASN B 1 184 ? -31.562 29.760 -5.723 1.00 13.38 ? 264 ASN B CB 1 ATOM 4481 C CG . ASN B 1 184 ? -30.351 28.888 -6.017 1.00 14.56 ? 264 ASN B CG 1 ATOM 4482 O OD1 . ASN B 1 184 ? -30.256 27.744 -5.559 1.00 14.48 ? 264 ASN B OD1 1 ATOM 4483 N ND2 . ASN B 1 184 ? -29.419 29.425 -6.797 1.00 15.73 ? 264 ASN B ND2 1 ATOM 4484 N N . GLU B 1 185 ? -31.013 28.563 -2.871 1.00 11.53 ? 265 GLU B N 1 ATOM 4485 C CA . GLU B 1 185 ? -30.304 28.778 -1.616 1.00 12.43 ? 265 GLU B CA 1 ATOM 4486 C C . GLU B 1 185 ? -28.859 28.328 -1.780 1.00 12.21 ? 265 GLU B C 1 ATOM 4487 O O . GLU B 1 185 ? -28.551 27.504 -2.646 1.00 13.77 ? 265 GLU B O 1 ATOM 4488 C CB . GLU B 1 185 ? -30.965 28.018 -0.467 1.00 14.18 ? 265 GLU B CB 1 ATOM 4489 C CG . GLU B 1 185 ? -30.806 26.511 -0.554 1.00 17.45 ? 265 GLU B CG 1 ATOM 4490 C CD . GLU B 1 185 ? -31.132 25.808 0.754 1.00 20.78 ? 265 GLU B CD 1 ATOM 4491 O OE1 . GLU B 1 185 ? -32.253 25.998 1.274 1.00 21.60 ? 265 GLU B OE1 1 ATOM 4492 O OE2 . GLU B 1 185 ? -30.266 25.058 1.258 1.00 22.75 ? 265 GLU B OE2 1 ATOM 4493 N N . ARG B 1 186 ? -27.972 28.880 -0.961 1.00 10.23 ? 266 ARG B N 1 ATOM 4494 C CA . ARG B 1 186 ? -26.566 28.500 -0.996 1.00 11.99 ? 266 ARG B CA 1 ATOM 4495 C C . ARG B 1 186 ? -26.011 28.536 0.415 1.00 11.89 ? 266 ARG B C 1 ATOM 4496 O O . ARG B 1 186 ? -26.106 29.558 1.097 1.00 12.34 ? 266 ARG B O 1 ATOM 4497 C CB . ARG B 1 186 ? -25.773 29.460 -1.889 1.00 13.58 ? 266 ARG B CB 1 ATOM 4498 C CG . ARG B 1 186 ? -24.264 29.211 -1.894 1.00 16.59 ? 266 ARG B CG 1 ATOM 4499 C CD . ARG B 1 186 ? -23.893 28.094 -2.850 1.00 18.85 ? 266 ARG B CD 1 ATOM 4500 N NE . ARG B 1 186 ? -24.221 28.448 -4.227 1.00 21.06 ? 266 ARG B NE 1 ATOM 4501 C CZ . ARG B 1 186 ? -23.349 28.927 -5.110 1.00 23.68 ? 266 ARG B CZ 1 ATOM 4502 N NH1 . ARG B 1 186 ? -22.075 29.099 -4.771 1.00 25.43 ? 266 ARG B NH1 1 ATOM 4503 N NH2 . ARG B 1 186 ? -23.753 29.228 -6.337 1.00 23.59 ? 266 ARG B NH2 1 ATOM 4504 N N . GLU B 1 187 ? -25.452 27.419 0.868 1.00 12.13 ? 267 GLU B N 1 ATOM 4505 C CA . GLU B 1 187 ? -24.779 27.419 2.156 1.00 11.91 ? 267 GLU B CA 1 ATOM 4506 C C . GLU B 1 187 ? -23.390 28.033 2.024 1.00 11.55 ? 267 GLU B C 1 ATOM 4507 O O . GLU B 1 187 ? -22.614 27.676 1.131 1.00 13.36 ? 267 GLU B O 1 ATOM 4508 C CB . GLU B 1 187 ? -24.683 26.017 2.763 1.00 14.24 ? 267 GLU B CB 1 ATOM 4509 C CG . GLU B 1 187 ? -23.978 26.044 4.115 1.00 16.36 ? 267 GLU B CG 1 ATOM 4510 C CD . GLU B 1 187 ? -24.341 24.885 5.015 1.00 18.52 ? 267 GLU B CD 1 ATOM 4511 O OE1 . GLU B 1 187 ? -25.049 23.963 4.558 1.00 21.96 ? 267 GLU B OE1 1 ATOM 4512 O OE2 . GLU B 1 187 ? -23.912 24.899 6.190 1.00 18.63 ? 267 GLU B OE2 1 ATOM 4513 N N . VAL B 1 188 ? -23.089 28.956 2.928 1.00 11.35 ? 268 VAL B N 1 ATOM 4514 C CA . VAL B 1 188 ? -21.817 29.659 2.935 1.00 11.99 ? 268 VAL B CA 1 ATOM 4515 C C . VAL B 1 188 ? -20.830 28.914 3.816 1.00 12.42 ? 268 VAL B C 1 ATOM 4516 O O . VAL B 1 188 ? -21.054 28.760 5.013 1.00 14.86 ? 268 VAL B O 1 ATOM 4517 C CB . VAL B 1 188 ? -21.994 31.097 3.466 1.00 13.25 ? 268 VAL B CB 1 ATOM 4518 C CG1 . VAL B 1 188 ? -20.644 31.778 3.655 1.00 13.84 ? 268 VAL B CG1 1 ATOM 4519 C CG2 . VAL B 1 188 ? -22.876 31.894 2.525 1.00 14.40 ? 268 VAL B CG2 1 ATOM 4520 N N . SER B 1 189 ? -19.743 28.440 3.220 1.00 12.90 ? 269 SER B N 1 ATOM 4521 C CA . SER B 1 189 ? -18.707 27.745 3.973 1.00 13.85 ? 269 SER B CA 1 ATOM 4522 C C . SER B 1 189 ? -17.834 28.763 4.703 1.00 14.04 ? 269 SER B C 1 ATOM 4523 O O . SER B 1 189 ? -17.205 29.616 4.075 1.00 14.97 ? 269 SER B O 1 ATOM 4524 C CB . SER B 1 189 ? -17.858 26.879 3.041 1.00 16.07 ? 269 SER B CB 1 ATOM 4525 O OG . SER B 1 189 ? -16.821 26.230 3.757 1.00 19.39 ? 269 SER B OG 1 ATOM 4526 N N . PHE B 1 190 ? -17.797 28.668 6.029 1.00 13.54 ? 270 PHE B N 1 ATOM 4527 C CA . PHE B 1 190 ? -17.146 29.681 6.853 1.00 11.82 ? 270 PHE B CA 1 ATOM 4528 C C . PHE B 1 190 ? -16.667 29.025 8.147 1.00 12.17 ? 270 PHE B C 1 ATOM 4529 O O . PHE B 1 190 ? -17.106 29.373 9.240 1.00 12.20 ? 270 PHE B O 1 ATOM 4530 C CB . PHE B 1 190 ? -18.141 30.814 7.134 1.00 12.69 ? 270 PHE B CB 1 ATOM 4531 C CG . PHE B 1 190 ? -17.511 32.117 7.564 1.00 12.55 ? 270 PHE B CG 1 ATOM 4532 C CD1 . PHE B 1 190 ? -16.254 32.494 7.120 1.00 15.28 ? 270 PHE B CD1 1 ATOM 4533 C CD2 . PHE B 1 190 ? -18.210 32.988 8.389 1.00 12.08 ? 270 PHE B CD2 1 ATOM 4534 C CE1 . PHE B 1 190 ? -15.694 33.709 7.510 1.00 14.98 ? 270 PHE B CE1 1 ATOM 4535 C CE2 . PHE B 1 190 ? -17.661 34.201 8.780 1.00 12.97 ? 270 PHE B CE2 1 ATOM 4536 C CZ . PHE B 1 190 ? -16.399 34.561 8.341 1.00 13.29 ? 270 PHE B CZ 1 ATOM 4537 N N . GLN B 1 191 ? -15.768 28.058 8.015 1.00 13.71 ? 271 GLN B N 1 ATOM 4538 C CA . GLN B 1 191 ? -15.248 27.346 9.178 1.00 14.84 ? 271 GLN B CA 1 ATOM 4539 C C . GLN B 1 191 ? -14.477 28.283 10.103 1.00 12.98 ? 271 GLN B C 1 ATOM 4540 O O . GLN B 1 191 ? -13.557 28.985 9.674 1.00 13.60 ? 271 GLN B O 1 ATOM 4541 C CB . GLN B 1 191 ? -14.367 26.170 8.741 1.00 19.38 ? 271 GLN B CB 1 ATOM 4542 C CG . GLN B 1 191 ? -15.137 25.043 8.073 1.00 25.13 ? 271 GLN B CG 1 ATOM 4543 C CD . GLN B 1 191 ? -16.147 24.393 9.007 1.00 30.75 ? 271 GLN B CD 1 ATOM 4544 O OE1 . GLN B 1 191 ? -17.348 24.661 8.930 1.00 32.60 ? 271 GLN B OE1 1 ATOM 4545 N NE2 . GLN B 1 191 ? -15.661 23.531 9.894 1.00 33.55 ? 271 GLN B NE2 1 ATOM 4546 N N . GLY B 1 192 ? -14.861 28.287 11.376 1.00 12.01 ? 272 GLY B N 1 ATOM 4547 C CA . GLY B 1 192 ? -14.234 29.142 12.367 1.00 12.13 ? 272 GLY B CA 1 ATOM 4548 C C . GLY B 1 192 ? -14.862 30.522 12.428 1.00 11.42 ? 272 GLY B C 1 ATOM 4549 O O . GLY B 1 192 ? -14.543 31.320 13.313 1.00 11.83 ? 272 GLY B O 1 ATOM 4550 N N . GLY B 1 193 ? -15.761 30.800 11.487 1.00 10.17 ? 273 GLY B N 1 ATOM 4551 C CA . GLY B 1 193 ? -16.460 32.072 11.451 1.00 10.00 ? 273 GLY B CA 1 ATOM 4552 C C . GLY B 1 193 ? -17.904 31.935 11.894 1.00 10.45 ? 273 GLY B C 1 ATOM 4553 O O . GLY B 1 193 ? -18.444 30.826 11.972 1.00 11.11 ? 273 GLY B O 1 ATOM 4554 N N . HIS B 1 194 ? -18.530 33.070 12.189 1.00 9.77 ? 274 HIS B N 1 ATOM 4555 C CA . HIS B 1 194 ? -19.904 33.091 12.666 1.00 9.48 ? 274 HIS B CA 1 ATOM 4556 C C . HIS B 1 194 ? -20.614 34.280 12.035 1.00 8.73 ? 274 HIS B C 1 ATOM 4557 O O . HIS B 1 194 ? -20.102 35.400 12.059 1.00 10.23 ? 274 HIS B O 1 ATOM 4558 C CB . HIS B 1 194 ? -19.911 33.215 14.192 1.00 9.13 ? 274 HIS B CB 1 ATOM 4559 C CG . HIS B 1 194 ? -21.188 32.780 14.839 1.00 10.91 ? 274 HIS B CG 1 ATOM 4560 N ND1 . HIS B 1 194 ? -22.078 33.672 15.399 1.00 11.45 ? 274 HIS B ND1 1 ATOM 4561 C CD2 . HIS B 1 194 ? -21.713 31.547 15.040 1.00 11.72 ? 274 HIS B CD2 1 ATOM 4562 C CE1 . HIS B 1 194 ? -23.100 33.007 15.910 1.00 12.88 ? 274 HIS B CE1 1 ATOM 4563 N NE2 . HIS B 1 194 ? -22.904 31.717 15.703 1.00 12.17 ? 274 HIS B NE2 1 ATOM 4564 N N . ILE B 1 195 ? -21.788 34.028 11.464 1.00 8.25 ? 275 ILE B N 1 ATOM 4565 C CA . ILE B 1 195 ? -22.560 35.062 10.785 1.00 8.44 ? 275 ILE B CA 1 ATOM 4566 C C . ILE B 1 195 ? -23.973 35.130 11.335 1.00 8.56 ? 275 ILE B C 1 ATOM 4567 O O . ILE B 1 195 ? -24.691 34.121 11.358 1.00 9.68 ? 275 ILE B O 1 ATOM 4568 C CB . ILE B 1 195 ? -22.638 34.803 9.275 1.00 10.82 ? 275 ILE B CB 1 ATOM 4569 C CG1 . ILE B 1 195 ? -21.263 34.998 8.638 1.00 13.17 ? 275 ILE B CG1 1 ATOM 4570 C CG2 . ILE B 1 195 ? -23.659 35.729 8.622 1.00 10.65 ? 275 ILE B CG2 1 ATOM 4571 C CD1 . ILE B 1 195 ? -21.183 34.508 7.207 1.00 13.87 ? 275 ILE B CD1 1 ATOM 4572 N N . GLU B 1 196 ? -24.358 36.323 11.785 1.00 7.77 ? 276 GLU B N 1 ATOM 4573 C CA . GLU B 1 196 ? -25.719 36.594 12.235 1.00 7.60 ? 276 GLU B CA 1 ATOM 4574 C C . GLU B 1 196 ? -26.120 38.009 11.867 1.00 7.51 ? 276 GLU B C 1 ATOM 4575 O O . GLU B 1 196 ? -25.266 38.894 11.737 1.00 8.66 ? 276 GLU B O 1 ATOM 4576 C CB . GLU B 1 196 ? -25.831 36.471 13.755 1.00 9.75 ? 276 GLU B CB 1 ATOM 4577 C CG . GLU B 1 196 ? -25.485 35.124 14.320 1.00 12.25 ? 276 GLU B CG 1 ATOM 4578 C CD . GLU B 1 196 ? -25.825 35.037 15.792 1.00 13.98 ? 276 GLU B CD 1 ATOM 4579 O OE1 . GLU B 1 196 ? -25.587 36.031 16.512 1.00 16.12 ? 276 GLU B OE1 1 ATOM 4580 O OE2 . GLU B 1 196 ? -26.315 33.976 16.227 1.00 13.86 ? 276 GLU B OE2 1 ATOM 4581 N N . GLU B 1 197 ? -27.424 38.220 11.718 1.00 7.13 ? 277 GLU B N 1 ATOM 4582 C CA . GLU B 1 197 ? -27.986 39.566 11.649 1.00 6.94 ? 277 GLU B CA 1 ATOM 4583 C C . GLU B 1 197 ? -27.283 40.451 10.626 1.00 7.61 ? 277 GLU B C 1 ATOM 4584 O O . GLU B 1 197 ? -26.884 41.574 10.929 1.00 8.79 ? 277 GLU B O 1 ATOM 4585 C CB . GLU B 1 197 ? -27.962 40.204 13.043 1.00 8.51 ? 277 GLU B CB 1 ATOM 4586 C CG . GLU B 1 197 ? -28.904 39.499 14.005 1.00 9.16 ? 277 GLU B CG 1 ATOM 4587 C CD . GLU B 1 197 ? -28.796 39.980 15.439 1.00 8.71 ? 277 GLU B CD 1 ATOM 4588 O OE1 . GLU B 1 197 ? -27.785 40.624 15.794 1.00 10.42 ? 277 GLU B OE1 1 ATOM 4589 O OE2 . GLU B 1 197 ? -29.733 39.702 16.219 1.00 10.02 ? 277 GLU B OE2 1 ATOM 4590 N N . CYS B 1 198 ? -27.152 39.949 9.403 1.00 7.86 ? 278 CYS B N 1 ATOM 4591 C CA . CYS B 1 198 ? -26.462 40.704 8.371 1.00 8.37 ? 278 CYS B CA 1 ATOM 4592 C C . CYS B 1 198 ? -27.182 41.990 8.000 1.00 8.88 ? 278 CYS B C 1 ATOM 4593 O O . CYS B 1 198 ? -28.405 42.018 7.859 1.00 9.61 ? 278 CYS B O 1 ATOM 4594 C CB . CYS B 1 198 ? -26.257 39.859 7.117 1.00 10.58 ? 278 CYS B CB 1 ATOM 4595 S SG . CYS B 1 198 ? -25.048 38.535 7.342 1.00 14.71 ? 278 CYS B SG 1 ATOM 4596 N N . SER B 1 199 ? -26.400 43.054 7.854 1.00 7.58 ? 279 SER B N 1 ATOM 4597 C CA . SER B 1 199 ? -26.888 44.300 7.287 1.00 7.79 ? 279 SER B CA 1 ATOM 4598 C C . SER B 1 199 ? -26.403 44.352 5.845 1.00 8.54 ? 279 SER B C 1 ATOM 4599 O O . SER B 1 199 ? -25.205 44.467 5.592 1.00 9.72 ? 279 SER B O 1 ATOM 4600 C CB . SER B 1 199 ? -26.354 45.497 8.073 1.00 9.25 ? 279 SER B CB 1 ATOM 4601 O OG . SER B 1 199 ? -26.915 45.535 9.378 1.00 12.31 ? 279 SER B OG 1 ATOM 4602 N N . CYS B 1 200 ? -27.336 44.244 4.905 1.00 9.02 ? 280 CYS B N 1 ATOM 4603 C CA . CYS B 1 200 ? -26.993 44.077 3.499 1.00 8.52 ? 280 CYS B CA 1 ATOM 4604 C C . CYS B 1 200 ? -27.534 45.226 2.659 1.00 9.36 ? 280 CYS B C 1 ATOM 4605 O O . CYS B 1 200 ? -28.556 45.824 2.994 1.00 10.19 ? 280 CYS B O 1 ATOM 4606 C CB . CYS B 1 200 ? -27.558 42.756 2.967 1.00 10.12 ? 280 CYS B CB 1 ATOM 4607 S SG . CYS B 1 200 ? -27.040 41.256 3.862 1.00 12.19 ? 280 CYS B SG 1 ATOM 4608 N N . TYR B 1 201 ? -26.852 45.520 1.558 1.00 8.91 ? 281 TYR B N 1 ATOM 4609 C CA . TYR B 1 201 ? -27.298 46.561 0.637 1.00 9.77 ? 281 TYR B CA 1 ATOM 4610 C C . TYR B 1 201 ? -26.821 46.204 -0.768 1.00 11.07 ? 281 TYR B C 1 ATOM 4611 O O . TYR B 1 201 ? -25.861 45.445 -0.936 1.00 11.14 ? 281 TYR B O 1 ATOM 4612 C CB . TYR B 1 201 ? -26.743 47.936 1.054 1.00 9.11 ? 281 TYR B CB 1 ATOM 4613 C CG . TYR B 1 201 ? -25.234 47.940 1.128 1.00 9.15 ? 281 TYR B CG 1 ATOM 4614 C CD1 . TYR B 1 201 ? -24.574 47.546 2.286 1.00 9.32 ? 281 TYR B CD1 1 ATOM 4615 C CD2 . TYR B 1 201 ? -24.469 48.288 0.023 1.00 9.19 ? 281 TYR B CD2 1 ATOM 4616 C CE1 . TYR B 1 201 ? -23.187 47.519 2.345 1.00 10.02 ? 281 TYR B CE1 1 ATOM 4617 C CE2 . TYR B 1 201 ? -23.089 48.262 0.072 1.00 11.41 ? 281 TYR B CE2 1 ATOM 4618 C CZ . TYR B 1 201 ? -22.451 47.876 1.234 1.00 11.18 ? 281 TYR B CZ 1 ATOM 4619 O OH . TYR B 1 201 ? -21.077 47.839 1.279 1.00 12.36 ? 281 TYR B OH 1 ATOM 4620 N N . PRO B 1 202 ? -27.496 46.740 -1.790 1.00 10.76 ? 282 PRO B N 1 ATOM 4621 C CA . PRO B 1 202 ? -27.032 46.529 -3.163 1.00 10.70 ? 282 PRO B CA 1 ATOM 4622 C C . PRO B 1 202 ? -25.900 47.490 -3.520 1.00 10.49 ? 282 PRO B C 1 ATOM 4623 O O . PRO B 1 202 ? -25.901 48.649 -3.090 1.00 11.22 ? 282 PRO B O 1 ATOM 4624 C CB . PRO B 1 202 ? -28.269 46.835 -4.016 1.00 11.25 ? 282 PRO B CB 1 ATOM 4625 C CG . PRO B 1 202 ? -29.235 47.567 -3.115 1.00 12.41 ? 282 PRO B CG 1 ATOM 4626 C CD . PRO B 1 202 ? -28.690 47.599 -1.714 1.00 12.33 ? 282 PRO B CD 1 ATOM 4627 N N . ASN B 1 203 ? -24.941 47.000 -4.297 1.00 11.21 ? 283 ASN B N 1 ATOM 4628 C CA . ASN B 1 203 ? -23.846 47.824 -4.782 1.00 10.80 ? 283 ASN B CA 1 ATOM 4629 C C . ASN B 1 203 ? -23.362 47.268 -6.116 1.00 11.93 ? 283 ASN B C 1 ATOM 4630 O O . ASN B 1 203 ? -22.774 46.190 -6.169 1.00 12.77 ? 283 ASN B O 1 ATOM 4631 C CB . ASN B 1 203 ? -22.713 47.861 -3.751 1.00 12.54 ? 283 ASN B CB 1 ATOM 4632 C CG . ASN B 1 203 ? -21.669 48.924 -4.054 1.00 11.21 ? 283 ASN B CG 1 ATOM 4633 O OD1 . ASN B 1 203 ? -21.778 49.666 -5.031 1.00 11.08 ? 283 ASN B OD1 1 ATOM 4634 N ND2 . ASN B 1 203 ? -20.646 49.001 -3.207 1.00 11.85 ? 283 ASN B ND2 1 ATOM 4635 N N . LEU B 1 204 ? -23.637 48.000 -7.191 1.00 13.80 ? 284 LEU B N 1 ATOM 4636 C CA . LEU B 1 204 ? -23.254 47.594 -8.545 1.00 15.58 ? 284 LEU B CA 1 ATOM 4637 C C . LEU B 1 204 ? -23.722 46.182 -8.900 1.00 15.05 ? 284 LEU B C 1 ATOM 4638 O O . LEU B 1 204 ? -23.027 45.437 -9.594 1.00 15.91 ? 284 LEU B O 1 ATOM 4639 C CB . LEU B 1 204 ? -21.743 47.743 -8.771 1.00 17.99 ? 284 LEU B CB 1 ATOM 4640 C CG . LEU B 1 204 ? -21.351 48.014 -10.228 1.00 23.59 ? 284 LEU B CG 1 ATOM 4641 C CD1 . LEU B 1 204 ? -22.084 49.237 -10.755 1.00 25.35 ? 284 LEU B CD1 1 ATOM 4642 C CD2 . LEU B 1 204 ? -19.845 48.186 -10.379 1.00 24.66 ? 284 LEU B CD2 1 ATOM 4643 N N . GLY B 1 205 ? -24.908 45.818 -8.425 1.00 14.12 ? 285 GLY B N 1 ATOM 4644 C CA . GLY B 1 205 ? -25.525 44.565 -8.820 1.00 13.84 ? 285 GLY B CA 1 ATOM 4645 C C . GLY B 1 205 ? -25.117 43.379 -7.973 1.00 13.86 ? 285 GLY B C 1 ATOM 4646 O O . GLY B 1 205 ? -25.529 42.249 -8.234 1.00 15.55 ? 285 GLY B O 1 ATOM 4647 N N . LYS B 1 206 ? -24.289 43.633 -6.968 1.00 12.10 ? 286 LYS B N 1 ATOM 4648 C CA . LYS B 1 206 ? -23.964 42.617 -5.979 1.00 12.50 ? 286 LYS B CA 1 ATOM 4649 C C . LYS B 1 206 ? -24.606 42.974 -4.652 1.00 11.86 ? 286 LYS B C 1 ATOM 4650 O O . LYS B 1 206 ? -24.977 44.124 -4.427 1.00 13.75 ? 286 LYS B O 1 ATOM 4651 C CB . LYS B 1 206 ? -22.450 42.476 -5.821 1.00 15.45 ? 286 LYS B CB 1 ATOM 4652 C CG . LYS B 1 206 ? -21.768 41.983 -7.088 1.00 18.72 ? 286 LYS B CG 1 ATOM 4653 C CD . LYS B 1 206 ? -20.344 41.518 -6.838 1.00 22.42 ? 286 LYS B CD 1 ATOM 4654 C CE . LYS B 1 206 ? -19.770 40.868 -8.092 1.00 24.62 ? 286 LYS B CE 1 ATOM 4655 N NZ . LYS B 1 206 ? -18.358 40.435 -7.914 1.00 26.89 ? 286 LYS B NZ 1 ATOM 4656 N N . VAL B 1 207 ? -24.764 41.982 -3.785 1.00 10.46 ? 287 VAL B N 1 ATOM 4657 C CA . VAL B 1 207 ? -25.235 42.243 -2.433 1.00 10.17 ? 287 VAL B CA 1 ATOM 4658 C C . VAL B 1 207 ? -24.029 42.219 -1.512 1.00 10.11 ? 287 VAL B C 1 ATOM 4659 O O . VAL B 1 207 ? -23.267 41.248 -1.495 1.00 11.07 ? 287 VAL B O 1 ATOM 4660 C CB . VAL B 1 207 ? -26.271 41.204 -1.954 1.00 10.72 ? 287 VAL B CB 1 ATOM 4661 C CG1 . VAL B 1 207 ? -26.743 41.538 -0.536 1.00 11.52 ? 287 VAL B CG1 1 ATOM 4662 C CG2 . VAL B 1 207 ? -27.453 41.143 -2.910 1.00 11.82 ? 287 VAL B CG2 1 ATOM 4663 N N . GLU B 1 208 ? -23.838 43.302 -0.769 1.00 9.40 ? 288 GLU B N 1 ATOM 4664 C CA . GLU B 1 208 ? -22.747 43.379 0.190 1.00 9.42 ? 288 GLU B CA 1 ATOM 4665 C C . GLU B 1 208 ? -23.323 43.408 1.601 1.00 9.22 ? 288 GLU B C 1 ATOM 4666 O O . GLU B 1 208 ? -24.208 44.215 1.896 1.00 9.51 ? 288 GLU B O 1 ATOM 4667 C CB . GLU B 1 208 ? -21.874 44.613 -0.086 1.00 10.86 ? 288 GLU B CB 1 ATOM 4668 C CG . GLU B 1 208 ? -21.147 44.526 -1.430 1.00 11.56 ? 288 GLU B CG 1 ATOM 4669 C CD . GLU B 1 208 ? -20.361 45.776 -1.806 1.00 12.99 ? 288 GLU B CD 1 ATOM 4670 O OE1 . GLU B 1 208 ? -20.520 46.829 -1.150 1.00 12.36 ? 288 GLU B OE1 1 ATOM 4671 O OE2 . GLU B 1 208 ? -19.586 45.699 -2.784 1.00 14.17 ? 288 GLU B OE2 1 ATOM 4672 N N . CYS B 1 209 ? -22.826 42.519 2.460 1.00 9.37 ? 289 CYS B N 1 ATOM 4673 C CA . CYS B 1 209 ? -23.340 42.376 3.820 1.00 9.60 ? 289 CYS B CA 1 ATOM 4674 C C . CYS B 1 209 ? -22.254 42.542 4.866 1.00 9.91 ? 289 CYS B C 1 ATOM 4675 O O . CYS B 1 209 ? -21.148 42.022 4.713 1.00 10.95 ? 289 CYS B O 1 ATOM 4676 C CB . CYS B 1 209 ? -23.969 40.996 4.022 1.00 11.24 ? 289 CYS B CB 1 ATOM 4677 S SG . CYS B 1 209 ? -25.339 40.608 2.913 1.00 12.00 ? 289 CYS B SG 1 ATOM 4678 N N . VAL B 1 210 ? -22.591 43.255 5.937 1.00 9.44 ? 290 VAL B N 1 ATOM 4679 C CA . VAL B 1 210 ? -21.733 43.380 7.109 1.00 9.52 ? 290 VAL B CA 1 ATOM 4680 C C . VAL B 1 210 ? -22.518 42.804 8.283 1.00 8.35 ? 290 VAL B C 1 ATOM 4681 O O . VAL B 1 210 ? -23.645 43.230 8.557 1.00 9.06 ? 290 VAL B O 1 ATOM 4682 C CB . VAL B 1 210 ? -21.377 44.853 7.386 1.00 10.03 ? 290 VAL B CB 1 ATOM 4683 C CG1 . VAL B 1 210 ? -20.486 44.972 8.620 1.00 11.33 ? 290 VAL B CG1 1 ATOM 4684 C CG2 . VAL B 1 210 ? -20.701 45.471 6.168 1.00 11.29 ? 290 VAL B CG2 1 ATOM 4685 N N . CYS B 1 211 ? -21.941 41.819 8.964 1.00 8.24 ? 291 CYS B N 1 ATOM 4686 C CA . CYS B 1 211 ? -22.720 41.015 9.893 1.00 8.84 ? 291 CYS B CA 1 ATOM 4687 C C . CYS B 1 211 ? -22.172 41.004 11.319 1.00 9.10 ? 291 CYS B C 1 ATOM 4688 O O . CYS B 1 211 ? -21.281 41.787 11.670 1.00 9.04 ? 291 CYS B O 1 ATOM 4689 C CB . CYS B 1 211 ? -22.839 39.580 9.359 1.00 11.52 ? 291 CYS B CB 1 ATOM 4690 S SG . CYS B 1 211 ? -23.223 39.487 7.575 1.00 13.72 ? 291 CYS B SG 1 ATOM 4691 N N . ARG B 1 212 ? -22.730 40.112 12.133 1.00 8.18 ? 292 ARG B N 1 ATOM 4692 C CA . ARG B 1 212 ? -22.349 39.964 13.533 1.00 7.99 ? 292 ARG B CA 1 ATOM 4693 C C . ARG B 1 212 ? -21.777 38.576 13.750 1.00 9.02 ? 292 ARG B C 1 ATOM 4694 O O . ARG B 1 212 ? -22.388 37.579 13.371 1.00 9.73 ? 292 ARG B O 1 ATOM 4695 C CB . ARG B 1 212 ? -23.571 40.175 14.437 1.00 8.46 ? 292 ARG B CB 1 ATOM 4696 C CG . ARG B 1 212 ? -23.433 39.698 15.890 1.00 8.30 ? 292 ARG B CG 1 ATOM 4697 C CD . ARG B 1 212 ? -24.766 39.889 16.621 1.00 8.25 ? 292 ARG B CD 1 ATOM 4698 N NE . ARG B 1 212 ? -24.787 39.375 17.994 1.00 7.68 ? 292 ARG B NE 1 ATOM 4699 C CZ . ARG B 1 212 ? -25.800 39.569 18.838 1.00 6.88 ? 292 ARG B CZ 1 ATOM 4700 N NH1 . ARG B 1 212 ? -26.858 40.280 18.458 1.00 8.21 ? 292 ARG B NH1 1 ATOM 4701 N NH2 . ARG B 1 212 ? -25.759 39.068 20.067 1.00 8.41 ? 292 ARG B NH2 1 ATOM 4702 N N . ASP B 1 213 ? -20.585 38.519 14.332 1.00 8.52 ? 293 ASP B N 1 ATOM 4703 C CA . ASP B 1 213 ? -19.987 37.254 14.735 1.00 8.44 ? 293 ASP B CA 1 ATOM 4704 C C . ASP B 1 213 ? -20.213 37.136 16.234 1.00 9.00 ? 293 ASP B C 1 ATOM 4705 O O . ASP B 1 213 ? -19.727 37.959 16.997 1.00 9.84 ? 293 ASP B O 1 ATOM 4706 C CB . ASP B 1 213 ? -18.495 37.252 14.379 1.00 9.49 ? 293 ASP B CB 1 ATOM 4707 C CG . ASP B 1 213 ? -17.772 36.012 14.859 1.00 10.36 ? 293 ASP B CG 1 ATOM 4708 O OD1 . ASP B 1 213 ? -18.023 35.571 15.998 1.00 9.57 ? 293 ASP B OD1 1 ATOM 4709 O OD2 . ASP B 1 213 ? -16.924 35.491 14.103 1.00 12.96 ? 293 ASP B OD2 1 ATOM 4710 N N . ASN B 1 214 ? -20.978 36.135 16.658 1.00 8.81 ? 294 ASN B N 1 ATOM 4711 C CA . ASN B 1 214 ? -21.340 36.003 18.066 1.00 8.29 ? 294 ASN B CA 1 ATOM 4712 C C . ASN B 1 214 ? -20.512 34.924 18.756 1.00 9.33 ? 294 ASN B C 1 ATOM 4713 O O . ASN B 1 214 ? -20.865 34.448 19.836 1.00 10.04 ? 294 ASN B O 1 ATOM 4714 C CB . ASN B 1 214 ? -22.829 35.678 18.187 1.00 8.91 ? 294 ASN B CB 1 ATOM 4715 C CG . ASN B 1 214 ? -23.426 36.171 19.484 1.00 9.22 ? 294 ASN B CG 1 ATOM 4716 O OD1 . ASN B 1 214 ? -23.416 37.370 19.766 1.00 10.25 ? 294 ASN B OD1 1 ATOM 4717 N ND2 . ASN B 1 214 ? -23.963 35.250 20.279 1.00 10.82 ? 294 ASN B ND2 1 ATOM 4718 N N . TRP B 1 215 ? -19.405 34.555 18.120 1.00 9.42 ? 295 TRP B N 1 ATOM 4719 C CA . TRP B 1 215 ? -18.569 33.450 18.567 1.00 8.96 ? 295 TRP B CA 1 ATOM 4720 C C . TRP B 1 215 ? -17.191 33.998 18.944 1.00 9.37 ? 295 TRP B C 1 ATOM 4721 O O . TRP B 1 215 ? -17.020 34.521 20.045 1.00 11.52 ? 295 TRP B O 1 ATOM 4722 C CB . TRP B 1 215 ? -18.498 32.390 17.457 1.00 8.99 ? 295 TRP B CB 1 ATOM 4723 C CG . TRP B 1 215 ? -17.735 31.123 17.771 1.00 9.34 ? 295 TRP B CG 1 ATOM 4724 C CD1 . TRP B 1 215 ? -17.321 30.676 18.998 1.00 9.76 ? 295 TRP B CD1 1 ATOM 4725 C CD2 . TRP B 1 215 ? -17.306 30.141 16.821 1.00 10.33 ? 295 TRP B CD2 1 ATOM 4726 N NE1 . TRP B 1 215 ? -16.654 29.477 18.861 1.00 9.53 ? 295 TRP B NE1 1 ATOM 4727 C CE2 . TRP B 1 215 ? -16.633 29.129 17.536 1.00 10.44 ? 295 TRP B CE2 1 ATOM 4728 C CE3 . TRP B 1 215 ? -17.426 30.021 15.432 1.00 10.70 ? 295 TRP B CE3 1 ATOM 4729 C CZ2 . TRP B 1 215 ? -16.078 28.014 16.908 1.00 11.39 ? 295 TRP B CZ2 1 ATOM 4730 C CZ3 . TRP B 1 215 ? -16.878 28.916 14.810 1.00 11.20 ? 295 TRP B CZ3 1 ATOM 4731 C CH2 . TRP B 1 215 ? -16.212 27.926 15.546 1.00 11.76 ? 295 TRP B CH2 1 ATOM 4732 N N . ASN B 1 216 ? -16.226 33.926 18.029 1.00 10.63 ? 296 ASN B N 1 ATOM 4733 C CA . ASN B 1 216 ? -14.847 34.321 18.337 1.00 10.93 ? 296 ASN B CA 1 ATOM 4734 C C . ASN B 1 216 ? -14.368 35.641 17.730 1.00 10.41 ? 296 ASN B C 1 ATOM 4735 O O . ASN B 1 216 ? -13.170 35.939 17.776 1.00 11.28 ? 296 ASN B O 1 ATOM 4736 C CB . ASN B 1 216 ? -13.876 33.218 17.905 1.00 13.28 ? 296 ASN B CB 1 ATOM 4737 C CG . ASN B 1 216 ? -13.985 31.977 18.756 1.00 14.88 ? 296 ASN B CG 1 ATOM 4738 O OD1 . ASN B 1 216 ? -13.783 30.856 18.277 1.00 18.64 ? 296 ASN B OD1 1 ATOM 4739 N ND2 . ASN B 1 216 ? -14.298 32.163 20.026 1.00 12.53 ? 296 ASN B ND2 1 ATOM 4740 N N . GLY B 1 217 ? -15.278 36.425 17.160 1.00 9.67 ? 297 GLY B N 1 ATOM 4741 C CA . GLY B 1 217 ? -14.878 37.636 16.461 1.00 9.99 ? 297 GLY B CA 1 ATOM 4742 C C . GLY B 1 217 ? -15.418 38.941 17.016 1.00 10.33 ? 297 GLY B C 1 ATOM 4743 O O . GLY B 1 217 ? -16.626 39.092 17.194 1.00 10.77 ? 297 GLY B O 1 ATOM 4744 N N . MET B 1 218 ? -14.525 39.888 17.289 1.00 9.92 ? 298 MET B N 1 ATOM 4745 C CA . MET B 1 218 ? -14.939 41.246 17.636 1.00 9.81 ? 298 MET B CA 1 ATOM 4746 C C . MET B 1 218 ? -14.844 42.120 16.390 1.00 10.66 ? 298 MET B C 1 ATOM 4747 O O . MET B 1 218 ? -15.222 43.295 16.409 1.00 10.68 ? 298 MET B O 1 ATOM 4748 C CB . MET B 1 218 ? -14.069 41.828 18.748 1.00 10.08 ? 298 MET B CB 1 ATOM 4749 C CG . MET B 1 218 ? -12.703 42.280 18.268 1.00 12.35 ? 298 MET B CG 1 ATOM 4750 S SD . MET B 1 218 ? -11.681 42.917 19.602 1.00 13.28 ? 298 MET B SD 1 ATOM 4751 C CE . MET B 1 218 ? -11.072 41.406 20.351 1.00 12.85 ? 298 MET B CE 1 ATOM 4752 N N . ASN B 1 219 ? -14.310 41.545 15.313 1.00 10.96 ? 299 ASN B N 1 ATOM 4753 C CA . ASN B 1 219 ? -14.450 42.148 13.992 1.00 10.46 ? 299 ASN B CA 1 ATOM 4754 C C . ASN B 1 219 ? -15.690 41.580 13.290 1.00 10.88 ? 299 ASN B C 1 ATOM 4755 O O . ASN B 1 219 ? -16.180 40.511 13.659 1.00 11.40 ? 299 ASN B O 1 ATOM 4756 C CB . ASN B 1 219 ? -13.172 41.995 13.145 1.00 11.19 ? 299 ASN B CB 1 ATOM 4757 C CG . ASN B 1 219 ? -12.643 40.562 13.100 1.00 11.39 ? 299 ASN B CG 1 ATOM 4758 O OD1 . ASN B 1 219 ? -13.078 39.698 13.855 1.00 11.59 ? 299 ASN B OD1 1 ATOM 4759 N ND2 . ASN B 1 219 ? -11.683 40.315 12.210 1.00 10.82 ? 299 ASN B ND2 1 ATOM 4760 N N . ARG B 1 220 ? -16.204 42.302 12.296 1.00 9.75 ? 300 ARG B N 1 ATOM 4761 C CA . ARG B 1 220 ? -17.461 41.927 11.647 1.00 9.78 ? 300 ARG B CA 1 ATOM 4762 C C . ARG B 1 220 ? -17.252 41.118 10.379 1.00 9.94 ? 300 ARG B C 1 ATOM 4763 O O . ARG B 1 220 ? -16.441 41.493 9.532 1.00 10.90 ? 300 ARG B O 1 ATOM 4764 C CB . ARG B 1 220 ? -18.287 43.174 11.308 1.00 8.26 ? 300 ARG B CB 1 ATOM 4765 C CG . ARG B 1 220 ? -18.822 43.908 12.531 1.00 8.24 ? 300 ARG B CG 1 ATOM 4766 C CD . ARG B 1 220 ? -19.926 44.900 12.184 1.00 9.08 ? 300 ARG B CD 1 ATOM 4767 N NE . ARG B 1 220 ? -20.463 45.524 13.391 1.00 8.83 ? 300 ARG B NE 1 ATOM 4768 C CZ . ARG B 1 220 ? -21.306 44.924 14.228 1.00 8.51 ? 300 ARG B CZ 1 ATOM 4769 N NH1 . ARG B 1 220 ? -21.717 43.680 13.989 1.00 8.16 ? 300 ARG B NH1 1 ATOM 4770 N NH2 . ARG B 1 220 ? -21.732 45.563 15.308 1.00 8.89 ? 300 ARG B NH2 1 ATOM 4771 N N . PRO B 1 221 ? -17.990 40.004 10.236 1.00 8.92 ? 301 PRO B N 1 ATOM 4772 C CA . PRO B 1 221 ? -17.919 39.273 8.969 1.00 10.05 ? 301 PRO B CA 1 ATOM 4773 C C . PRO B 1 221 ? -18.418 40.138 7.818 1.00 10.98 ? 301 PRO B C 1 ATOM 4774 O O . PRO B 1 221 ? -19.302 40.985 7.993 1.00 10.62 ? 301 PRO B O 1 ATOM 4775 C CB . PRO B 1 221 ? -18.878 38.092 9.183 1.00 10.53 ? 301 PRO B CB 1 ATOM 4776 C CG . PRO B 1 221 ? -18.989 37.942 10.657 1.00 10.19 ? 301 PRO B CG 1 ATOM 4777 C CD . PRO B 1 221 ? -18.859 39.331 11.219 1.00 9.26 ? 301 PRO B CD 1 ATOM 4778 N N . ILE B 1 222 ? -17.827 39.931 6.647 1.00 9.87 ? 302 ILE B N 1 ATOM 4779 C CA . ILE B 1 222 ? -18.308 40.530 5.414 1.00 12.07 ? 302 ILE B CA 1 ATOM 4780 C C . ILE B 1 222 ? -18.679 39.413 4.456 1.00 12.92 ? 302 ILE B C 1 ATOM 4781 O O . ILE B 1 222 ? -17.905 38.478 4.251 1.00 14.72 ? 302 ILE B O 1 ATOM 4782 C CB . ILE B 1 222 ? -17.233 41.408 4.765 1.00 14.06 ? 302 ILE B CB 1 ATOM 4783 C CG1 . ILE B 1 222 ? -16.898 42.581 5.682 1.00 16.47 ? 302 ILE B CG1 1 ATOM 4784 C CG2 . ILE B 1 222 ? -17.700 41.913 3.407 1.00 14.80 ? 302 ILE B CG2 1 ATOM 4785 C CD1 . ILE B 1 222 ? -18.023 43.550 5.843 1.00 19.23 ? 302 ILE B CD1 1 ATOM 4786 N N . LEU B 1 223 ? -19.873 39.505 3.887 1.00 11.46 ? 303 LEU B N 1 ATOM 4787 C CA . LEU B 1 223 ? -20.353 38.518 2.934 1.00 11.39 ? 303 LEU B CA 1 ATOM 4788 C C . LEU B 1 223 ? -20.820 39.239 1.684 1.00 12.27 ? 303 LEU B C 1 ATOM 4789 O O . LEU B 1 223 ? -21.650 40.142 1.753 1.00 12.98 ? 303 LEU B O 1 ATOM 4790 C CB . LEU B 1 223 ? -21.506 37.712 3.535 1.00 11.29 ? 303 LEU B CB 1 ATOM 4791 C CG . LEU B 1 223 ? -22.207 36.695 2.629 1.00 11.62 ? 303 LEU B CG 1 ATOM 4792 C CD1 . LEU B 1 223 ? -21.272 35.551 2.254 1.00 12.08 ? 303 LEU B CD1 1 ATOM 4793 C CD2 . LEU B 1 223 ? -23.443 36.157 3.329 1.00 12.40 ? 303 LEU B CD2 1 ATOM 4794 N N . ILE B 1 224 ? -20.278 38.842 0.541 1.00 11.30 ? 304 ILE B N 1 ATOM 4795 C CA . ILE B 1 224 ? -20.630 39.467 -0.724 1.00 11.26 ? 304 ILE B CA 1 ATOM 4796 C C . ILE B 1 224 ? -21.075 38.384 -1.697 1.00 11.69 ? 304 ILE B C 1 ATOM 4797 O O . ILE B 1 224 ? -20.399 37.369 -1.851 1.00 13.22 ? 304 ILE B O 1 ATOM 4798 C CB . ILE B 1 224 ? -19.426 40.222 -1.316 1.00 11.92 ? 304 ILE B CB 1 ATOM 4799 C CG1 . ILE B 1 224 ? -18.884 41.231 -0.298 1.00 14.42 ? 304 ILE B CG1 1 ATOM 4800 C CG2 . ILE B 1 224 ? -19.814 40.910 -2.610 1.00 12.50 ? 304 ILE B CG2 1 ATOM 4801 C CD1 . ILE B 1 224 ? -17.498 41.756 -0.632 1.00 18.35 ? 304 ILE B CD1 1 ATOM 4802 N N . PHE B 1 225 ? -22.213 38.586 -2.354 1.00 9.99 ? 305 PHE B N 1 ATOM 4803 C CA . PHE B 1 225 ? -22.700 37.573 -3.278 1.00 9.91 ? 305 PHE B CA 1 ATOM 4804 C C . PHE B 1 225 ? -23.405 38.155 -4.491 1.00 11.48 ? 305 PHE B C 1 ATOM 4805 O O . PHE B 1 225 ? -23.799 39.324 -4.492 1.00 11.91 ? 305 PHE B O 1 ATOM 4806 C CB . PHE B 1 225 ? -23.574 36.534 -2.558 1.00 10.25 ? 305 PHE B CB 1 ATOM 4807 C CG . PHE B 1 225 ? -24.829 37.091 -1.931 1.00 9.94 ? 305 PHE B CG 1 ATOM 4808 C CD1 . PHE B 1 225 ? -26.000 37.200 -2.670 1.00 9.92 ? 305 PHE B CD1 1 ATOM 4809 C CD2 . PHE B 1 225 ? -24.852 37.466 -0.594 1.00 10.42 ? 305 PHE B CD2 1 ATOM 4810 C CE1 . PHE B 1 225 ? -27.162 37.690 -2.092 1.00 11.35 ? 305 PHE B CE1 1 ATOM 4811 C CE2 . PHE B 1 225 ? -26.015 37.961 -0.010 1.00 10.77 ? 305 PHE B CE2 1 ATOM 4812 C CZ . PHE B 1 225 ? -27.168 38.071 -0.758 1.00 11.37 ? 305 PHE B CZ 1 ATOM 4813 N N . ASP B 1 226 ? -23.533 37.338 -5.533 1.00 11.71 ? 306 ASP B N 1 ATOM 4814 C CA . ASP B 1 226 ? -24.171 37.773 -6.769 1.00 12.07 ? 306 ASP B CA 1 ATOM 4815 C C . ASP B 1 226 ? -25.471 37.010 -7.036 1.00 11.62 ? 306 ASP B C 1 ATOM 4816 O O . ASP B 1 226 ? -25.914 36.211 -6.207 1.00 10.91 ? 306 ASP B O 1 ATOM 4817 C CB . ASP B 1 226 ? -23.199 37.680 -7.957 1.00 15.30 ? 306 ASP B CB 1 ATOM 4818 C CG . ASP B 1 226 ? -22.762 36.256 -8.261 1.00 17.27 ? 306 ASP B CG 1 ATOM 4819 O OD1 . ASP B 1 226 ? -23.486 35.305 -7.898 1.00 15.74 ? 306 ASP B OD1 1 ATOM 4820 O OD2 . ASP B 1 226 ? -21.688 36.091 -8.885 1.00 20.37 ? 306 ASP B OD2 1 ATOM 4821 N N . GLU B 1 227 ? -26.084 37.268 -8.187 1.00 11.97 ? 308 GLU B N 1 ATOM 4822 C CA . GLU B 1 227 ? -27.398 36.708 -8.496 1.00 12.36 ? 308 GLU B CA 1 ATOM 4823 C C . GLU B 1 227 ? -27.381 35.183 -8.629 1.00 12.14 ? 308 GLU B C 1 ATOM 4824 O O . GLU B 1 227 ? -28.418 34.537 -8.488 1.00 13.02 ? 308 GLU B O 1 ATOM 4825 C CB . GLU B 1 227 ? -27.943 37.329 -9.781 1.00 14.39 ? 308 GLU B CB 1 ATOM 4826 C CG . GLU B 1 227 ? -27.058 37.036 -10.984 1.00 19.34 ? 308 GLU B CG 1 ATOM 4827 C CD . GLU B 1 227 ? -27.589 37.618 -12.274 1.00 24.52 ? 308 GLU B CD 1 ATOM 4828 O OE1 . GLU B 1 227 ? -26.857 37.559 -13.289 1.00 24.86 ? 308 GLU B OE1 1 ATOM 4829 O OE2 . GLU B 1 227 ? -28.729 38.132 -12.274 1.00 26.38 ? 308 GLU B OE2 1 ATOM 4830 N N . ASP B 1 228 ? -26.212 34.610 -8.912 1.00 11.15 ? 309 ASP B N 1 ATOM 4831 C CA . ASP B 1 228 ? -26.069 33.151 -8.991 1.00 10.77 ? 309 ASP B CA 1 ATOM 4832 C C . ASP B 1 228 ? -25.763 32.552 -7.615 1.00 11.50 ? 309 ASP B C 1 ATOM 4833 O O . ASP B 1 228 ? -25.554 31.344 -7.481 1.00 12.44 ? 309 ASP B O 1 ATOM 4834 C CB . ASP B 1 228 ? -24.954 32.771 -9.971 1.00 12.00 ? 309 ASP B CB 1 ATOM 4835 C CG . ASP B 1 228 ? -25.360 32.933 -11.427 1.00 14.03 ? 309 ASP B CG 1 ATOM 4836 O OD1 . ASP B 1 228 ? -26.575 32.982 -11.716 1.00 13.73 ? 309 ASP B OD1 1 ATOM 4837 O OD2 . ASP B 1 228 ? -24.453 32.990 -12.290 1.00 14.93 ? 309 ASP B OD2 1 ATOM 4838 N N . LEU B 1 229 ? -25.745 33.416 -6.605 1.00 11.55 ? 310 LEU B N 1 ATOM 4839 C CA . LEU B 1 229 ? -25.398 33.065 -5.225 1.00 11.76 ? 310 LEU B CA 1 ATOM 4840 C C . LEU B 1 229 ? -23.957 32.593 -5.053 1.00 13.04 ? 310 LEU B C 1 ATOM 4841 O O . LEU B 1 229 ? -23.621 31.922 -4.073 1.00 14.07 ? 310 LEU B O 1 ATOM 4842 C CB . LEU B 1 229 ? -26.382 32.063 -4.616 1.00 11.05 ? 310 LEU B CB 1 ATOM 4843 C CG . LEU B 1 229 ? -27.854 32.492 -4.625 1.00 10.64 ? 310 LEU B CG 1 ATOM 4844 C CD1 . LEU B 1 229 ? -28.671 31.566 -3.731 1.00 10.56 ? 310 LEU B CD1 1 ATOM 4845 C CD2 . LEU B 1 229 ? -28.015 33.945 -4.175 1.00 12.37 ? 310 LEU B CD2 1 ATOM 4846 N N . ASP B 1 230 ? -23.102 32.950 -6.002 1.00 13.07 ? 311 ASP B N 1 ATOM 4847 C CA . ASP B 1 230 ? -21.674 32.797 -5.785 1.00 14.77 ? 311 ASP B CA 1 ATOM 4848 C C . ASP B 1 230 ? -21.264 33.877 -4.795 1.00 14.31 ? 311 ASP B C 1 ATOM 4849 O O . ASP B 1 230 ? -21.791 34.994 -4.835 1.00 15.13 ? 311 ASP B O 1 ATOM 4850 C CB . ASP B 1 230 ? -20.915 32.927 -7.101 1.00 18.41 ? 311 ASP B CB 1 ATOM 4851 C CG . ASP B 1 230 ? -21.126 31.727 -8.003 1.00 24.02 ? 311 ASP B CG 1 ATOM 4852 O OD1 . ASP B 1 230 ? -21.448 30.640 -7.474 1.00 24.74 ? 311 ASP B OD1 1 ATOM 4853 O OD2 . ASP B 1 230 ? -20.974 31.865 -9.235 1.00 26.96 ? 311 ASP B OD2 1 ATOM 4854 N N . TYR B 1 231 ? -20.346 33.552 -3.893 1.00 12.57 ? 312 TYR B N 1 ATOM 4855 C CA . TYR B 1 231 ? -20.049 34.464 -2.793 1.00 12.08 ? 312 TYR B CA 1 ATOM 4856 C C . TYR B 1 231 ? -18.566 34.545 -2.436 1.00 12.43 ? 312 TYR B C 1 ATOM 4857 O O . TYR B 1 231 ? -17.757 33.688 -2.815 1.00 13.04 ? 312 TYR B O 1 ATOM 4858 C CB . TYR B 1 231 ? -20.852 34.064 -1.549 1.00 11.98 ? 312 TYR B CB 1 ATOM 4859 C CG . TYR B 1 231 ? -20.419 32.734 -0.981 1.00 11.84 ? 312 TYR B CG 1 ATOM 4860 C CD1 . TYR B 1 231 ? -19.393 32.661 -0.050 1.00 13.25 ? 312 TYR B CD1 1 ATOM 4861 C CD2 . TYR B 1 231 ? -21.023 31.550 -1.389 1.00 12.85 ? 312 TYR B CD2 1 ATOM 4862 C CE1 . TYR B 1 231 ? -18.978 31.446 0.463 1.00 13.29 ? 312 TYR B CE1 1 ATOM 4863 C CE2 . TYR B 1 231 ? -20.615 30.326 -0.880 1.00 13.28 ? 312 TYR B CE2 1 ATOM 4864 C CZ . TYR B 1 231 ? -19.591 30.283 0.045 1.00 13.87 ? 312 TYR B CZ 1 ATOM 4865 O OH . TYR B 1 231 ? -19.176 29.075 0.552 1.00 14.23 ? 312 TYR B OH 1 ATOM 4866 N N . GLU B 1 232 ? -18.230 35.603 -1.707 1.00 12.59 ? 313 GLU B N 1 ATOM 4867 C CA . GLU B 1 232 ? -16.958 35.722 -1.014 1.00 13.43 ? 313 GLU B CA 1 ATOM 4868 C C . GLU B 1 232 ? -17.302 35.995 0.437 1.00 12.93 ? 313 GLU B C 1 ATOM 4869 O O . GLU B 1 232 ? -18.234 36.747 0.728 1.00 13.63 ? 313 GLU B O 1 ATOM 4870 C CB . GLU B 1 232 ? -16.150 36.903 -1.542 1.00 18.19 ? 313 GLU B CB 1 ATOM 4871 C CG . GLU B 1 232 ? -15.947 36.935 -3.036 1.00 25.51 ? 313 GLU B CG 1 ATOM 4872 C CD . GLU B 1 232 ? -15.368 38.262 -3.485 1.00 32.63 ? 313 GLU B CD 1 ATOM 4873 O OE1 . GLU B 1 232 ? -14.160 38.488 -3.262 1.00 36.14 ? 313 GLU B OE1 1 ATOM 4874 O OE2 . GLU B 1 232 ? -16.125 39.087 -4.042 1.00 34.07 ? 313 GLU B OE2 1 ATOM 4875 N N . VAL B 1 233 ? -16.551 35.397 1.350 1.00 11.96 ? 314 VAL B N 1 ATOM 4876 C CA . VAL B 1 233 ? -16.812 35.598 2.765 1.00 11.41 ? 314 VAL B CA 1 ATOM 4877 C C . VAL B 1 233 ? -15.501 35.809 3.520 1.00 12.02 ? 314 VAL B C 1 ATOM 4878 O O . VAL B 1 233 ? -14.478 35.201 3.202 1.00 13.81 ? 314 VAL B O 1 ATOM 4879 C CB . VAL B 1 233 ? -17.636 34.429 3.364 1.00 11.71 ? 314 VAL B CB 1 ATOM 4880 C CG1 . VAL B 1 233 ? -16.829 33.135 3.354 1.00 13.17 ? 314 VAL B CG1 1 ATOM 4881 C CG2 . VAL B 1 233 ? -18.117 34.769 4.771 1.00 12.64 ? 314 VAL B CG2 1 ATOM 4882 N N . GLY B 1 234 ? -15.532 36.701 4.500 1.00 11.58 ? 315 GLY B N 1 ATOM 4883 C CA . GLY B 1 234 ? -14.355 37.012 5.288 1.00 10.53 ? 315 GLY B CA 1 ATOM 4884 C C . GLY B 1 234 ? -14.722 37.969 6.401 1.00 9.71 ? 315 GLY B C 1 ATOM 4885 O O . GLY B 1 234 ? -15.845 37.931 6.898 1.00 10.18 ? 315 GLY B O 1 ATOM 4886 N N . TYR B 1 235 ? -13.771 38.811 6.799 1.00 10.11 ? 316 TYR B N 1 ATOM 4887 C CA . TYR B 1 235 ? -14.011 39.831 7.815 1.00 10.40 ? 316 TYR B CA 1 ATOM 4888 C C . TYR B 1 235 ? -13.691 41.224 7.289 1.00 11.04 ? 316 TYR B C 1 ATOM 4889 O O . TYR B 1 235 ? -12.891 41.383 6.367 1.00 11.82 ? 316 TYR B O 1 ATOM 4890 C CB . TYR B 1 235 ? -13.208 39.532 9.091 1.00 9.49 ? 316 TYR B CB 1 ATOM 4891 C CG . TYR B 1 235 ? -13.821 38.401 9.872 1.00 11.10 ? 316 TYR B CG 1 ATOM 4892 C CD1 . TYR B 1 235 ? -13.527 37.082 9.567 1.00 13.27 ? 316 TYR B CD1 1 ATOM 4893 C CD2 . TYR B 1 235 ? -14.746 38.653 10.876 1.00 11.26 ? 316 TYR B CD2 1 ATOM 4894 C CE1 . TYR B 1 235 ? -14.116 36.045 10.256 1.00 13.48 ? 316 TYR B CE1 1 ATOM 4895 C CE2 . TYR B 1 235 ? -15.340 37.623 11.573 1.00 11.51 ? 316 TYR B CE2 1 ATOM 4896 C CZ . TYR B 1 235 ? -15.022 36.322 11.258 1.00 12.48 ? 316 TYR B CZ 1 ATOM 4897 O OH . TYR B 1 235 ? -15.616 35.293 11.943 1.00 13.45 ? 316 TYR B OH 1 ATOM 4898 N N . LEU B 1 236 ? -14.325 42.235 7.871 1.00 11.06 ? 317 LEU B N 1 ATOM 4899 C CA . LEU B 1 236 ? -13.993 43.614 7.534 1.00 11.46 ? 317 LEU B CA 1 ATOM 4900 C C . LEU B 1 236 ? -12.509 43.827 7.810 1.00 12.55 ? 317 LEU B C 1 ATOM 4901 O O . LEU B 1 236 ? -12.059 43.661 8.939 1.00 13.61 ? 317 LEU B O 1 ATOM 4902 C CB . LEU B 1 236 ? -14.839 44.584 8.361 1.00 12.54 ? 317 LEU B CB 1 ATOM 4903 C CG . LEU B 1 236 ? -14.639 46.068 8.042 1.00 14.41 ? 317 LEU B CG 1 ATOM 4904 C CD1 . LEU B 1 236 ? -14.971 46.348 6.583 1.00 15.24 ? 317 LEU B CD1 1 ATOM 4905 C CD2 . LEU B 1 236 ? -15.487 46.937 8.964 1.00 15.72 ? 317 LEU B CD2 1 ATOM 4906 N N . CYS B 1 237 ? -11.752 44.185 6.776 1.00 12.63 ? 318 CYS B N 1 ATOM 4907 C CA . CYS B 1 237 ? -10.291 44.225 6.868 1.00 15.39 ? 318 CYS B CA 1 ATOM 4908 C C . CYS B 1 237 ? -9.755 45.203 7.909 1.00 15.49 ? 318 CYS B C 1 ATOM 4909 O O . CYS B 1 237 ? -8.713 44.960 8.520 1.00 15.68 ? 318 CYS B O 1 ATOM 4910 C CB . CYS B 1 237 ? -9.683 44.571 5.507 1.00 19.61 ? 318 CYS B CB 1 ATOM 4911 S SG . CYS B 1 237 ? -9.797 43.261 4.276 1.00 24.24 ? 318 CYS B SG 1 ATOM 4912 N N . ALA B 1 238 ? -10.464 46.312 8.092 1.00 14.68 ? 319 ALA B N 1 ATOM 4913 C CA . ALA B 1 238 ? -9.982 47.420 8.917 1.00 14.19 ? 319 ALA B CA 1 ATOM 4914 C C . ALA B 1 238 ? -9.361 46.988 10.245 1.00 15.17 ? 319 ALA B C 1 ATOM 4915 O O . ALA B 1 238 ? -9.854 46.070 10.908 1.00 16.05 ? 319 ALA B O 1 ATOM 4916 C CB . ALA B 1 238 ? -11.103 48.428 9.156 1.00 13.44 ? 319 ALA B CB 1 ATOM 4917 N N . GLY B 1 239 ? -8.281 47.669 10.626 1.00 15.24 ? 320 GLY B N 1 ATOM 4918 C CA . GLY B 1 239 ? -7.645 47.465 11.916 1.00 14.93 ? 320 GLY B CA 1 ATOM 4919 C C . GLY B 1 239 ? -8.368 48.225 13.014 1.00 14.62 ? 320 GLY B C 1 ATOM 4920 O O . GLY B 1 239 ? -7.781 48.592 14.036 1.00 15.25 ? 320 GLY B O 1 ATOM 4921 N N . ILE B 1 240 ? -9.655 48.464 12.787 1.00 13.77 ? 321 ILE B N 1 ATOM 4922 C CA . ILE B 1 240 ? -10.526 49.088 13.772 1.00 14.13 ? 321 ILE B CA 1 ATOM 4923 C C . ILE B 1 240 ? -11.679 48.121 14.018 1.00 13.48 ? 321 ILE B C 1 ATOM 4924 O O . ILE B 1 240 ? -12.441 47.830 13.099 1.00 14.82 ? 321 ILE B O 1 ATOM 4925 C CB . ILE B 1 240 ? -11.117 50.411 13.234 1.00 14.47 ? 321 ILE B CB 1 ATOM 4926 C CG1 . ILE B 1 240 ? -10.008 51.369 12.782 1.00 15.62 ? 321 ILE B CG1 1 ATOM 4927 C CG2 . ILE B 1 240 ? -12.019 51.067 14.273 1.00 16.08 ? 321 ILE B CG2 1 ATOM 4928 C CD1 . ILE B 1 240 ? -9.091 51.823 13.897 1.00 15.33 ? 321 ILE B CD1 1 ATOM 4929 N N . PRO B 1 241 ? -11.808 47.605 15.251 1.00 12.27 ? 322 PRO B N 1 ATOM 4930 C CA . PRO B 1 241 ? -12.893 46.650 15.506 1.00 11.58 ? 322 PRO B CA 1 ATOM 4931 C C . PRO B 1 241 ? -14.219 47.374 15.693 1.00 10.52 ? 322 PRO B C 1 ATOM 4932 O O . PRO B 1 241 ? -14.235 48.446 16.302 1.00 11.28 ? 322 PRO B O 1 ATOM 4933 C CB . PRO B 1 241 ? -12.468 45.970 16.809 1.00 12.13 ? 322 PRO B CB 1 ATOM 4934 C CG . PRO B 1 241 ? -11.592 46.962 17.498 1.00 12.17 ? 322 PRO B CG 1 ATOM 4935 C CD . PRO B 1 241 ? -10.999 47.878 16.452 1.00 11.59 ? 322 PRO B CD 1 ATOM 4936 N N . THR B 1 242 ? -15.313 46.815 15.180 1.00 9.43 ? 323 THR B N 1 ATOM 4937 C CA . THR B 1 242 ? -16.588 47.535 15.244 1.00 9.94 ? 323 THR B CA 1 ATOM 4938 C C . THR B 1 242 ? -17.752 46.752 15.850 1.00 10.12 ? 323 THR B C 1 ATOM 4939 O O . THR B 1 242 ? -18.886 47.226 15.831 1.00 11.61 ? 323 THR B O 1 ATOM 4940 C CB . THR B 1 242 ? -17.007 48.109 13.870 1.00 10.21 ? 323 THR B CB 1 ATOM 4941 O OG1 . THR B 1 242 ? -17.296 47.037 12.965 1.00 10.77 ? 323 THR B OG1 1 ATOM 4942 C CG2 . THR B 1 242 ? -15.900 48.983 13.295 1.00 10.97 ? 323 THR B CG2 1 ATOM 4943 N N . ASP B 1 243 ? -17.485 45.563 16.384 1.00 10.09 ? 324 ASP B N 1 ATOM 4944 C CA . ASP B 1 243 ? -18.502 44.839 17.146 1.00 9.61 ? 324 ASP B CA 1 ATOM 4945 C C . ASP B 1 243 ? -18.494 45.360 18.582 1.00 9.94 ? 324 ASP B C 1 ATOM 4946 O O . ASP B 1 243 ? -17.641 46.172 18.952 1.00 11.13 ? 324 ASP B O 1 ATOM 4947 C CB . ASP B 1 243 ? -18.204 43.333 17.128 1.00 9.42 ? 324 ASP B CB 1 ATOM 4948 C CG . ASP B 1 243 ? -19.420 42.467 17.456 1.00 10.72 ? 324 ASP B CG 1 ATOM 4949 O OD1 . ASP B 1 243 ? -20.547 42.984 17.608 1.00 9.19 ? 324 ASP B OD1 1 ATOM 4950 O OD2 . ASP B 1 243 ? -19.231 41.235 17.559 1.00 11.38 ? 324 ASP B OD2 1 ATOM 4951 N N . THR B 1 244 ? -19.455 44.904 19.376 1.00 8.82 ? 325 THR B N 1 ATOM 4952 C CA . THR B 1 244 ? -19.477 45.145 20.818 1.00 8.96 ? 325 THR B CA 1 ATOM 4953 C C . THR B 1 244 ? -19.942 43.857 21.483 1.00 9.39 ? 325 THR B C 1 ATOM 4954 O O . THR B 1 244 ? -21.000 43.336 21.140 1.00 9.96 ? 325 THR B O 1 ATOM 4955 C CB . THR B 1 244 ? -20.463 46.265 21.189 1.00 10.02 ? 325 THR B CB 1 ATOM 4956 O OG1 . THR B 1 244 ? -20.174 47.430 20.411 1.00 10.68 ? 325 THR B OG1 1 ATOM 4957 C CG2 . THR B 1 244 ? -20.363 46.611 22.676 1.00 10.28 ? 325 THR B CG2 1 ATOM 4958 N N . PRO B 1 245 ? -19.164 43.335 22.443 1.00 10.14 ? 326 PRO B N 1 ATOM 4959 C CA . PRO B 1 245 ? -17.939 43.911 23.010 1.00 10.05 ? 326 PRO B CA 1 ATOM 4960 C C . PRO B 1 245 ? -16.706 43.792 22.115 1.00 10.34 ? 326 PRO B C 1 ATOM 4961 O O . PRO B 1 245 ? -16.651 42.968 21.202 1.00 10.79 ? 326 PRO B O 1 ATOM 4962 C CB . PRO B 1 245 ? -17.740 43.089 24.286 1.00 11.46 ? 326 PRO B CB 1 ATOM 4963 C CG . PRO B 1 245 ? -18.316 41.758 23.945 1.00 12.06 ? 326 PRO B CG 1 ATOM 4964 C CD . PRO B 1 245 ? -19.524 42.063 23.100 1.00 10.89 ? 326 PRO B CD 1 ATOM 4965 N N . ARG B 1 246 ? -15.721 44.634 22.395 1.00 10.83 ? 327 ARG B N 1 ATOM 4966 C CA . ARG B 1 246 ? -14.456 44.627 21.679 1.00 10.50 ? 327 ARG B CA 1 ATOM 4967 C C . ARG B 1 246 ? -13.378 45.158 22.618 1.00 12.04 ? 327 ARG B C 1 ATOM 4968 O O . ARG B 1 246 ? -13.670 45.527 23.757 1.00 13.59 ? 327 ARG B O 1 ATOM 4969 C CB . ARG B 1 246 ? -14.554 45.505 20.430 1.00 9.77 ? 327 ARG B CB 1 ATOM 4970 C CG . ARG B 1 246 ? -14.883 46.971 20.720 1.00 9.90 ? 327 ARG B CG 1 ATOM 4971 C CD . ARG B 1 246 ? -14.979 47.805 19.441 1.00 10.51 ? 327 ARG B CD 1 ATOM 4972 N NE . ARG B 1 246 ? -15.129 49.222 19.771 1.00 10.58 ? 327 ARG B NE 1 ATOM 4973 C CZ . ARG B 1 246 ? -16.297 49.825 19.961 1.00 10.93 ? 327 ARG B CZ 1 ATOM 4974 N NH1 . ARG B 1 246 ? -17.434 49.148 19.820 1.00 11.12 ? 327 ARG B NH1 1 ATOM 4975 N NH2 . ARG B 1 246 ? -16.325 51.111 20.285 1.00 11.03 ? 327 ARG B NH2 1 ATOM 4976 N N . VAL B 1 247 ? -12.133 45.189 22.152 1.00 12.85 ? 328 VAL B N 1 ATOM 4977 C CA . VAL B 1 247 ? -11.069 45.860 22.896 1.00 14.40 ? 328 VAL B CA 1 ATOM 4978 C C . VAL B 1 247 ? -10.824 47.249 22.308 1.00 14.04 ? 328 VAL B C 1 ATOM 4979 O O . VAL B 1 247 ? -11.341 47.576 21.238 1.00 13.19 ? 328 VAL B O 1 ATOM 4980 C CB . VAL B 1 247 ? -9.747 45.052 22.896 1.00 14.96 ? 328 VAL B CB 1 ATOM 4981 C CG1 . VAL B 1 247 ? -9.938 43.710 23.588 1.00 15.64 ? 328 VAL B CG1 1 ATOM 4982 C CG2 . VAL B 1 247 ? -9.223 44.864 21.474 1.00 16.28 ? 328 VAL B CG2 1 ATOM 4983 N N . GLN B 1 248 ? -10.051 48.072 23.011 1.00 14.80 ? 329 GLN B N 1 ATOM 4984 C CA . GLN B 1 248 ? -9.693 49.387 22.492 1.00 16.85 ? 329 GLN B CA 1 ATOM 4985 C C . GLN B 1 248 ? -8.911 49.224 21.191 1.00 15.31 ? 329 GLN B C 1 ATOM 4986 O O . GLN B 1 248 ? -8.273 48.194 20.972 1.00 15.78 ? 329 GLN B O 1 ATOM 4987 C CB . GLN B 1 248 ? -8.879 50.184 23.514 1.00 20.89 ? 329 GLN B CB 1 ATOM 4988 C CG . GLN B 1 248 ? -7.476 49.652 23.755 1.00 26.48 ? 329 GLN B CG 1 ATOM 4989 C CD . GLN B 1 248 ? -6.681 50.529 24.705 1.00 32.65 ? 329 GLN B CD 1 ATOM 4990 O OE1 . GLN B 1 248 ? -6.743 51.759 24.637 1.00 35.76 ? 329 GLN B OE1 1 ATOM 4991 N NE2 . GLN B 1 248 ? -5.923 49.899 25.594 1.00 35.01 ? 329 GLN B NE2 1 ATOM 4992 N N . ASP B 1 249 ? -8.972 50.233 20.328 1.00 15.85 ? 330 ASP B N 1 ATOM 4993 C CA . ASP B 1 249 ? -8.374 50.143 18.999 1.00 15.74 ? 330 ASP B CA 1 ATOM 4994 C C . ASP B 1 249 ? -6.893 49.761 19.048 1.00 16.83 ? 330 ASP B C 1 ATOM 4995 O O . ASP B 1 249 ? -6.425 48.938 18.258 1.00 17.74 ? 330 ASP B O 1 ATOM 4996 C CB . ASP B 1 249 ? -8.554 51.462 18.238 1.00 15.73 ? 330 ASP B CB 1 ATOM 4997 C CG . ASP B 1 249 ? -10.005 51.737 17.876 1.00 15.92 ? 330 ASP B CG 1 ATOM 4998 O OD1 . ASP B 1 249 ? -10.834 50.814 18.000 1.00 15.72 ? 330 ASP B OD1 1 ATOM 4999 O OD2 . ASP B 1 249 ? -10.316 52.874 17.457 1.00 18.03 ? 330 ASP B OD2 1 ATOM 5000 N N . SER B 1 250 ? -6.158 50.356 19.979 1.00 17.37 ? 331 SER B N 1 ATOM 5001 C CA . SER B 1 250 ? -4.718 50.132 20.062 1.00 18.37 ? 331 SER B CA 1 ATOM 5002 C C . SER B 1 250 ? -4.348 48.706 20.481 1.00 19.47 ? 331 SER B C 1 ATOM 5003 O O . SER B 1 250 ? -3.180 48.319 20.410 1.00 22.03 ? 331 SER B O 1 ATOM 5004 C CB . SER B 1 250 ? -4.071 51.147 21.004 1.00 19.92 ? 331 SER B CB 1 ATOM 5005 O OG . SER B 1 250 ? -4.584 51.027 22.319 1.00 21.88 ? 331 SER B OG 1 ATOM 5006 N N . SER B 1 251 ? -5.333 47.927 20.917 1.00 18.77 ? 332 SER B N 1 ATOM 5007 C CA . SER B 1 251 ? -5.085 46.537 21.303 1.00 19.11 ? 332 SER B CA 1 ATOM 5008 C C . SER B 1 251 ? -5.547 45.562 20.226 1.00 18.20 ? 332 SER B C 1 ATOM 5009 O O . SER B 1 251 ? -5.564 44.349 20.443 1.00 19.54 ? 332 SER B O 1 ATOM 5010 C CB . SER B 1 251 ? -5.777 46.206 22.631 1.00 19.69 ? 332 SER B CB 1 ATOM 5011 O OG . SER B 1 251 ? -5.233 46.964 23.699 1.00 21.48 ? 332 SER B OG 1 ATOM 5012 N N . PHE B 1 252 ? -5.914 46.095 19.065 1.00 16.04 ? 333 PHE B N 1 ATOM 5013 C CA . PHE B 1 252 ? -6.516 45.294 18.005 1.00 15.90 ? 333 PHE B CA 1 ATOM 5014 C C . PHE B 1 252 ? -5.687 45.308 16.731 1.00 17.37 ? 333 PHE B C 1 ATOM 5015 O O . PHE B 1 252 ? -5.216 46.360 16.293 1.00 18.59 ? 333 PHE B O 1 ATOM 5016 C CB . PHE B 1 252 ? -7.938 45.797 17.714 1.00 16.12 ? 333 PHE B CB 1 ATOM 5017 C CG . PHE B 1 252 ? -8.650 45.041 16.619 1.00 15.92 ? 333 PHE B CG 1 ATOM 5018 C CD1 . PHE B 1 252 ? -9.306 43.849 16.894 1.00 15.85 ? 333 PHE B CD1 1 ATOM 5019 C CD2 . PHE B 1 252 ? -8.688 45.538 15.323 1.00 14.65 ? 333 PHE B CD2 1 ATOM 5020 C CE1 . PHE B 1 252 ? -9.975 43.158 15.893 1.00 14.43 ? 333 PHE B CE1 1 ATOM 5021 C CE2 . PHE B 1 252 ? -9.352 44.851 14.317 1.00 14.40 ? 333 PHE B CE2 1 ATOM 5022 C CZ . PHE B 1 252 ? -9.998 43.660 14.604 1.00 14.17 ? 333 PHE B CZ 1 ATOM 5023 N N . THR B 1 253 ? -5.500 44.128 16.151 1.00 17.45 ? 334 THR B N 1 ATOM 5024 C CA . THR B 1 253 ? -4.876 43.996 14.841 1.00 18.18 ? 334 THR B CA 1 ATOM 5025 C C . THR B 1 253 ? -5.891 43.379 13.890 1.00 18.04 ? 334 THR B C 1 ATOM 5026 O O . THR B 1 253 ? -6.447 42.316 14.167 1.00 19.55 ? 334 THR B O 1 ATOM 5027 C CB . THR B 1 253 ? -3.624 43.106 14.892 1.00 20.47 ? 334 THR B CB 1 ATOM 5028 O OG1 . THR B 1 253 ? -2.671 43.678 15.794 1.00 22.16 ? 334 THR B OG1 1 ATOM 5029 C CG2 . THR B 1 253 ? -2.991 42.989 13.508 1.00 20.63 ? 334 THR B CG2 1 ATOM 5030 N N . GLY B 1 254 ? -6.135 44.052 12.772 1.00 17.39 ? 335 GLY B N 1 ATOM 5031 C CA . GLY B 1 254 ? -7.147 43.606 11.834 1.00 16.16 ? 335 GLY B CA 1 ATOM 5032 C C . GLY B 1 254 ? -6.814 42.326 11.088 1.00 16.29 ? 335 GLY B C 1 ATOM 5033 O O . GLY B 1 254 ? -5.669 41.864 11.072 1.00 18.40 ? 335 GLY B O 1 ATOM 5034 N N . SER B 1 255 ? -7.837 41.753 10.464 1.00 15.52 ? 336 SER B N 1 ATOM 5035 C CA . SER B 1 255 ? -7.677 40.603 9.587 1.00 15.33 ? 336 SER B CA 1 ATOM 5036 C C . SER B 1 255 ? -8.812 40.582 8.576 1.00 15.87 ? 336 SER B C 1 ATOM 5037 O O . SER B 1 255 ? -9.967 40.802 8.936 1.00 16.06 ? 336 SER B O 1 ATOM 5038 C CB . SER B 1 255 ? -7.691 39.300 10.384 1.00 15.70 ? 336 SER B CB 1 ATOM 5039 O OG . SER B 1 255 ? -7.556 38.183 9.521 1.00 16.76 ? 336 SER B OG 1 ATOM 5040 N N . CYS B 1 256 ? -8.471 40.321 7.318 1.00 16.35 ? 337 CYS B N 1 ATOM 5041 C CA . CYS B 1 256 ? -9.453 40.183 6.253 1.00 18.03 ? 337 CYS B CA 1 ATOM 5042 C C . CYS B 1 256 ? -10.082 38.793 6.274 1.00 17.02 ? 337 CYS B C 1 ATOM 5043 O O . CYS B 1 256 ? -11.149 38.580 5.700 1.00 16.93 ? 337 CYS B O 1 ATOM 5044 C CB . CYS B 1 256 ? -8.792 40.407 4.882 1.00 23.15 ? 337 CYS B CB 1 ATOM 5045 S SG . CYS B 1 256 ? -8.150 42.079 4.564 1.00 28.47 ? 337 CYS B SG 1 ATOM 5046 N N . THR B 1 257 ? -9.421 37.845 6.934 1.00 17.13 ? 338 THR B N 1 ATOM 5047 C CA . THR B 1 257 ? -9.782 36.436 6.784 1.00 17.48 ? 338 THR B CA 1 ATOM 5048 C C . THR B 1 257 ? -10.192 35.733 8.075 1.00 17.17 ? 338 THR B C 1 ATOM 5049 O O . THR B 1 257 ? -10.957 34.769 8.045 1.00 18.29 ? 338 THR B O 1 ATOM 5050 C CB . THR B 1 257 ? -8.619 35.633 6.172 1.00 19.34 ? 338 THR B CB 1 ATOM 5051 O OG1 . THR B 1 257 ? -7.466 35.748 7.016 1.00 19.08 ? 338 THR B OG1 1 ATOM 5052 C CG2 . THR B 1 257 ? -8.284 36.149 4.780 1.00 19.98 ? 338 THR B CG2 1 ATOM 5053 N N . ASN B 1 258 ? -9.679 36.205 9.203 1.00 16.56 ? 339 ASN B N 1 ATOM 5054 C CA . ASN B 1 258 ? -9.856 35.501 10.466 1.00 15.89 ? 339 ASN B CA 1 ATOM 5055 C C . ASN B 1 258 ? -10.648 36.283 11.499 1.00 14.26 ? 339 ASN B C 1 ATOM 5056 O O . ASN B 1 258 ? -10.529 37.504 11.592 1.00 14.32 ? 339 ASN B O 1 ATOM 5057 C CB . ASN B 1 258 ? -8.493 35.146 11.064 1.00 20.25 ? 339 ASN B CB 1 ATOM 5058 C CG . ASN B 1 258 ? -7.725 34.155 10.216 1.00 27.43 ? 339 ASN B CG 1 ATOM 5059 O OD1 . ASN B 1 258 ? -8.029 32.965 10.205 1.00 31.66 ? 339 ASN B OD1 1 ATOM 5060 N ND2 . ASN B 1 258 ? -6.718 34.641 9.506 1.00 31.38 ? 339 ASN B ND2 1 ATOM 5061 N N . ALA B 1 259 ? -11.445 35.567 12.284 1.00 13.22 ? 340 ALA B N 1 ATOM 5062 C CA . ALA B 1 259 ? -12.091 36.166 13.441 1.00 12.84 ? 340 ALA B CA 1 ATOM 5063 C C . ALA B 1 259 ? -11.016 36.552 14.451 1.00 13.30 ? 340 ALA B C 1 ATOM 5064 O O . ALA B 1 259 ? -10.157 35.738 14.797 1.00 16.07 ? 340 ALA B O 1 ATOM 5065 C CB . ALA B 1 259 ? -13.076 35.195 14.058 1.00 12.99 ? 340 ALA B CB 1 ATOM 5066 N N . VAL B 1 260 ? -11.053 37.801 14.901 1.00 11.48 ? 341 VAL B N 1 ATOM 5067 C CA . VAL B 1 260 ? -10.141 38.273 15.935 1.00 11.49 ? 341 VAL B CA 1 ATOM 5068 C C . VAL B 1 260 ? -10.941 38.530 17.202 1.00 11.86 ? 341 VAL B C 1 ATOM 5069 O O . VAL B 1 260 ? -11.862 39.347 17.208 1.00 13.74 ? 341 VAL B O 1 ATOM 5070 C CB . VAL B 1 260 ? -9.420 39.559 15.509 1.00 12.08 ? 341 VAL B CB 1 ATOM 5071 C CG1 . VAL B 1 260 ? -8.526 40.068 16.633 1.00 13.10 ? 341 VAL B CG1 1 ATOM 5072 C CG2 . VAL B 1 260 ? -8.612 39.311 14.247 1.00 14.04 ? 341 VAL B CG2 1 ATOM 5073 N N . GLY B 1 261 ? -10.589 37.828 18.274 1.00 12.51 ? 342 GLY B N 1 ATOM 5074 C CA . GLY B 1 261 ? -11.387 37.863 19.485 1.00 12.64 ? 342 GLY B CA 1 ATOM 5075 C C . GLY B 1 261 ? -10.570 37.763 20.753 1.00 13.81 ? 342 GLY B C 1 ATOM 5076 O O . GLY B 1 261 ? -9.486 38.339 20.854 1.00 15.64 ? 342 GLY B O 1 ATOM 5077 N N . GLY B 1 262 ? -11.099 37.029 21.727 1.00 15.06 ? 343 GLY B N 1 ATOM 5078 C CA . GLY B 1 262 ? -10.460 36.899 23.024 1.00 14.62 ? 343 GLY B CA 1 ATOM 5079 C C . GLY B 1 262 ? -10.635 38.124 23.904 1.00 15.59 ? 343 GLY B C 1 ATOM 5080 O O . GLY B 1 262 ? -11.501 38.971 23.658 1.00 15.31 ? 343 GLY B O 1 ATOM 5081 N N . SER B 1 263 ? -9.807 38.215 24.940 1.00 16.66 ? 344 SER B N 1 ATOM 5082 C CA . SER B 1 263 ? -9.832 39.349 25.859 1.00 17.82 ? 344 SER B CA 1 ATOM 5083 C C . SER B 1 263 ? -11.230 39.656 26.397 1.00 17.80 ? 344 SER B C 1 ATOM 5084 O O . SER B 1 263 ? -11.576 40.817 26.608 1.00 20.05 ? 344 SER B O 1 ATOM 5085 C CB . SER B 1 263 ? -9.248 40.596 25.187 1.00 20.61 ? 344 SER B CB 1 ATOM 5086 O OG . SER B 1 263 ? -7.947 40.344 24.683 1.00 22.89 ? 344 SER B OG 1 ATOM 5087 N N . GLY B 1 264 ? -12.031 38.618 26.612 1.00 17.00 ? 345 GLY B N 1 ATOM 5088 C CA . GLY B 1 264 ? -13.343 38.783 27.212 1.00 16.98 ? 345 GLY B CA 1 ATOM 5089 C C . GLY B 1 264 ? -14.446 39.201 26.257 1.00 16.16 ? 345 GLY B C 1 ATOM 5090 O O . GLY B 1 264 ? -15.559 39.503 26.694 1.00 17.02 ? 345 GLY B O 1 ATOM 5091 N N . THR B 1 265 ? -14.147 39.209 24.958 1.00 13.78 ? 346 THR B N 1 ATOM 5092 C CA . THR B 1 265 ? -15.103 39.669 23.951 1.00 11.49 ? 346 THR B CA 1 ATOM 5093 C C . THR B 1 265 ? -15.875 38.550 23.257 1.00 11.19 ? 346 THR B C 1 ATOM 5094 O O . THR B 1 265 ? -16.786 38.823 22.474 1.00 11.81 ? 346 THR B O 1 ATOM 5095 C CB . THR B 1 265 ? -14.418 40.497 22.837 1.00 11.65 ? 346 THR B CB 1 ATOM 5096 O OG1 . THR B 1 265 ? -13.617 39.634 22.013 1.00 12.29 ? 346 THR B OG1 1 ATOM 5097 C CG2 . THR B 1 265 ? -13.557 41.605 23.430 1.00 11.71 ? 346 THR B CG2 1 ATOM 5098 N N . ASN B 1 266 A -15.506 37.298 23.523 1.00 12.04 ? 346 ASN B N 1 ATOM 5099 C CA . ASN B 1 266 A -16.135 36.167 22.848 1.00 11.23 ? 346 ASN B CA 1 ATOM 5100 C C . ASN B 1 266 A -17.587 35.953 23.264 1.00 11.32 ? 346 ASN B C 1 ATOM 5101 O O . ASN B 1 266 A -18.021 36.419 24.321 1.00 12.09 ? 346 ASN B O 1 ATOM 5102 C CB . ASN B 1 266 A -15.353 34.873 23.103 1.00 11.21 ? 346 ASN B CB 1 ATOM 5103 C CG . ASN B 1 266 A -13.961 34.883 22.485 1.00 12.29 ? 346 ASN B CG 1 ATOM 5104 O OD1 . ASN B 1 266 A -13.094 34.089 22.874 1.00 15.37 ? 346 ASN B OD1 1 ATOM 5105 N ND2 . ASN B 1 266 A -13.742 35.759 21.516 1.00 12.05 ? 346 ASN B ND2 1 ATOM 5106 N N . ASN B 1 267 B -18.328 35.242 22.419 1.00 10.27 ? 346 ASN B N 1 ATOM 5107 C CA . ASN B 1 267 B -19.684 34.797 22.741 1.00 9.89 ? 346 ASN B CA 1 ATOM 5108 C C . ASN B 1 267 B -20.740 35.890 22.844 1.00 9.55 ? 346 ASN B C 1 ATOM 5109 O O . ASN B 1 267 B -21.804 35.673 23.418 1.00 10.84 ? 346 ASN B O 1 ATOM 5110 C CB . ASN B 1 267 B -19.677 33.961 24.016 1.00 10.97 ? 346 ASN B CB 1 ATOM 5111 C CG . ASN B 1 267 B -18.672 32.838 23.952 1.00 11.80 ? 346 ASN B CG 1 ATOM 5112 O OD1 . ASN B 1 267 B -18.552 32.159 22.929 1.00 13.61 ? 346 ASN B OD1 1 ATOM 5113 N ND2 . ASN B 1 267 B -17.930 32.641 25.036 1.00 11.71 ? 346 ASN B ND2 1 ATOM 5114 N N . TYR B 1 268 ? -20.459 37.062 22.287 1.00 9.37 ? 347 TYR B N 1 ATOM 5115 C CA . TYR B 1 268 ? -21.494 38.080 22.198 1.00 9.52 ? 347 TYR B CA 1 ATOM 5116 C C . TYR B 1 268 ? -21.212 38.988 21.021 1.00 9.20 ? 347 TYR B C 1 ATOM 5117 O O . TYR B 1 268 ? -20.277 38.748 20.264 1.00 9.95 ? 347 TYR B O 1 ATOM 5118 C CB . TYR B 1 268 ? -21.624 38.871 23.501 1.00 9.03 ? 347 TYR B CB 1 ATOM 5119 C CG . TYR B 1 268 ? -23.004 39.464 23.712 1.00 9.41 ? 347 TYR B CG 1 ATOM 5120 C CD1 . TYR B 1 268 ? -24.142 38.675 23.603 1.00 11.22 ? 347 TYR B CD1 1 ATOM 5121 C CD2 . TYR B 1 268 ? -23.166 40.805 24.032 1.00 11.22 ? 347 TYR B CD2 1 ATOM 5122 C CE1 . TYR B 1 268 ? -25.407 39.204 23.801 1.00 11.29 ? 347 TYR B CE1 1 ATOM 5123 C CE2 . TYR B 1 268 ? -24.425 41.346 24.231 1.00 11.18 ? 347 TYR B CE2 1 ATOM 5124 C CZ . TYR B 1 268 ? -25.543 40.540 24.114 1.00 10.76 ? 347 TYR B CZ 1 ATOM 5125 O OH . TYR B 1 268 ? -26.797 41.073 24.316 1.00 12.39 ? 347 TYR B OH 1 ATOM 5126 N N . GLY B 1 269 ? -22.030 40.017 20.859 1.00 7.96 ? 348 GLY B N 1 ATOM 5127 C CA . GLY B 1 269 ? -21.917 40.900 19.722 1.00 7.90 ? 348 GLY B CA 1 ATOM 5128 C C . GLY B 1 269 ? -23.148 41.775 19.683 1.00 7.50 ? 348 GLY B C 1 ATOM 5129 O O . GLY B 1 269 ? -23.993 41.712 20.574 1.00 8.94 ? 348 GLY B O 1 ATOM 5130 N N . VAL B 1 270 ? -23.241 42.603 18.653 1.00 7.93 ? 349 VAL B N 1 ATOM 5131 C CA . VAL B 1 270 ? -24.423 43.410 18.434 1.00 8.31 ? 349 VAL B CA 1 ATOM 5132 C C . VAL B 1 270 ? -24.579 43.574 16.931 1.00 8.49 ? 349 VAL B C 1 ATOM 5133 O O . VAL B 1 270 ? -23.587 43.651 16.211 1.00 8.42 ? 349 VAL B O 1 ATOM 5134 C CB . VAL B 1 270 ? -24.313 44.793 19.122 1.00 8.44 ? 349 VAL B CB 1 ATOM 5135 C CG1 . VAL B 1 270 ? -23.200 45.631 18.494 1.00 9.27 ? 349 VAL B CG1 1 ATOM 5136 C CG2 . VAL B 1 270 ? -25.648 45.531 19.062 1.00 8.73 ? 349 VAL B CG2 1 ATOM 5137 N N . LYS B 1 271 ? -25.814 43.606 16.446 1.00 6.94 ? 350 LYS B N 1 ATOM 5138 C CA . LYS B 1 271 ? -26.031 43.865 15.029 1.00 7.38 ? 350 LYS B CA 1 ATOM 5139 C C . LYS B 1 271 ? -25.487 45.242 14.676 1.00 8.23 ? 350 LYS B C 1 ATOM 5140 O O . LYS B 1 271 ? -25.726 46.213 15.400 1.00 8.78 ? 350 LYS B O 1 ATOM 5141 C CB . LYS B 1 271 ? -27.517 43.790 14.675 1.00 7.44 ? 350 LYS B CB 1 ATOM 5142 C CG . LYS B 1 271 ? -27.808 44.122 13.212 1.00 7.34 ? 350 LYS B CG 1 ATOM 5143 C CD . LYS B 1 271 ? -29.305 44.110 12.924 1.00 7.32 ? 350 LYS B CD 1 ATOM 5144 C CE . LYS B 1 271 ? -29.605 44.547 11.491 1.00 7.26 ? 350 LYS B CE 1 ATOM 5145 N NZ . LYS B 1 271 ? -29.052 43.595 10.472 1.00 7.23 ? 350 LYS B NZ 1 ATOM 5146 N N . GLY B 1 272 ? -24.758 45.318 13.567 1.00 7.38 ? 351 GLY B N 1 ATOM 5147 C CA . GLY B 1 272 ? -24.195 46.573 13.097 1.00 7.02 ? 351 GLY B CA 1 ATOM 5148 C C . GLY B 1 272 ? -24.126 46.621 11.583 1.00 8.76 ? 351 GLY B C 1 ATOM 5149 O O . GLY B 1 272 ? -24.674 45.749 10.904 1.00 10.17 ? 351 GLY B O 1 ATOM 5150 N N . PHE B 1 273 ? -23.447 47.630 11.045 1.00 9.39 ? 352 PHE B N 1 ATOM 5151 C CA . PHE B 1 273 ? -23.409 47.811 9.598 1.00 8.95 ? 352 PHE B CA 1 ATOM 5152 C C . PHE B 1 273 ? -22.117 48.470 9.129 1.00 8.30 ? 352 PHE B C 1 ATOM 5153 O O . PHE B 1 273 ? -21.324 48.995 9.931 1.00 8.55 ? 352 PHE B O 1 ATOM 5154 C CB . PHE B 1 273 ? -24.589 48.681 9.147 1.00 10.53 ? 352 PHE B CB 1 ATOM 5155 C CG . PHE B 1 273 ? -24.410 50.136 9.477 1.00 10.00 ? 352 PHE B CG 1 ATOM 5156 C CD1 . PHE B 1 273 ? -24.789 50.630 10.714 1.00 11.43 ? 352 PHE B CD1 1 ATOM 5157 C CD2 . PHE B 1 273 ? -23.825 51.001 8.561 1.00 9.63 ? 352 PHE B CD2 1 ATOM 5158 C CE1 . PHE B 1 273 ? -24.604 51.964 11.031 1.00 11.77 ? 352 PHE B CE1 1 ATOM 5159 C CE2 . PHE B 1 273 ? -23.633 52.341 8.873 1.00 11.34 ? 352 PHE B CE2 1 ATOM 5160 C CZ . PHE B 1 273 ? -24.024 52.822 10.111 1.00 10.66 ? 352 PHE B CZ 1 ATOM 5161 N N . GLY B 1 274 ? -21.927 48.444 7.814 1.00 8.88 ? 353 GLY B N 1 ATOM 5162 C CA . GLY B 1 274 ? -20.858 49.172 7.160 1.00 10.49 ? 353 GLY B CA 1 ATOM 5163 C C . GLY B 1 274 ? -21.233 49.380 5.706 1.00 11.22 ? 353 GLY B C 1 ATOM 5164 O O . GLY B 1 274 ? -22.041 48.629 5.157 1.00 13.42 ? 353 GLY B O 1 ATOM 5165 N N . PHE B 1 275 ? -20.661 50.404 5.082 1.00 10.56 ? 354 PHE B N 1 ATOM 5166 C CA . PHE B 1 275 ? -20.870 50.649 3.660 1.00 10.36 ? 354 PHE B CA 1 ATOM 5167 C C . PHE B 1 275 ? -19.530 50.762 2.956 1.00 9.98 ? 354 PHE B C 1 ATOM 5168 O O . PHE B 1 275 ? -18.711 51.609 3.313 1.00 11.00 ? 354 PHE B O 1 ATOM 5169 C CB . PHE B 1 275 ? -21.623 51.961 3.437 1.00 11.52 ? 354 PHE B CB 1 ATOM 5170 C CG . PHE B 1 275 ? -23.079 51.897 3.774 1.00 11.59 ? 354 PHE B CG 1 ATOM 5171 C CD1 . PHE B 1 275 ? -23.957 51.182 2.974 1.00 11.27 ? 354 PHE B CD1 1 ATOM 5172 C CD2 . PHE B 1 275 ? -23.578 52.579 4.870 1.00 12.00 ? 354 PHE B CD2 1 ATOM 5173 C CE1 . PHE B 1 275 ? -25.307 51.131 3.274 1.00 11.85 ? 354 PHE B CE1 1 ATOM 5174 C CE2 . PHE B 1 275 ? -24.926 52.532 5.176 1.00 12.74 ? 354 PHE B CE2 1 ATOM 5175 C CZ . PHE B 1 275 ? -25.792 51.807 4.377 1.00 12.38 ? 354 PHE B CZ 1 ATOM 5176 N N . ARG B 1 276 ? -19.308 49.922 1.951 1.00 10.15 ? 355 ARG B N 1 ATOM 5177 C CA . ARG B 1 276 ? -18.122 50.057 1.117 1.00 10.44 ? 355 ARG B CA 1 ATOM 5178 C C . ARG B 1 276 ? -18.161 51.396 0.387 1.00 11.40 ? 355 ARG B C 1 ATOM 5179 O O . ARG B 1 276 ? -19.212 51.818 -0.083 1.00 11.35 ? 355 ARG B O 1 ATOM 5180 C CB . ARG B 1 276 ? -18.029 48.906 0.107 1.00 9.98 ? 355 ARG B CB 1 ATOM 5181 C CG . ARG B 1 276 ? -16.766 48.942 -0.757 1.00 9.72 ? 355 ARG B CG 1 ATOM 5182 C CD . ARG B 1 276 ? -16.598 47.678 -1.596 1.00 10.49 ? 355 ARG B CD 1 ATOM 5183 N NE . ARG B 1 276 ? -17.487 47.624 -2.754 1.00 11.94 ? 355 ARG B NE 1 ATOM 5184 C CZ . ARG B 1 276 ? -17.239 48.232 -3.911 1.00 14.37 ? 355 ARG B CZ 1 ATOM 5185 N NH1 . ARG B 1 276 ? -16.143 48.965 -4.053 1.00 14.54 ? 355 ARG B NH1 1 ATOM 5186 N NH2 . ARG B 1 276 ? -18.089 48.118 -4.923 1.00 15.37 ? 355 ARG B NH2 1 ATOM 5187 N N . GLN B 1 277 ? -17.008 52.054 0.304 1.00 10.55 ? 356 GLN B N 1 ATOM 5188 C CA . GLN B 1 277 ? -16.852 53.306 -0.428 1.00 11.75 ? 356 GLN B CA 1 ATOM 5189 C C . GLN B 1 277 ? -15.589 53.178 -1.266 1.00 12.85 ? 356 GLN B C 1 ATOM 5190 O O . GLN B 1 277 ? -14.518 53.646 -0.869 1.00 13.97 ? 356 GLN B O 1 ATOM 5191 C CB . GLN B 1 277 ? -16.704 54.479 0.544 1.00 12.71 ? 356 GLN B CB 1 ATOM 5192 C CG . GLN B 1 277 ? -17.892 54.688 1.481 1.00 13.13 ? 356 GLN B CG 1 ATOM 5193 C CD . GLN B 1 277 ? -19.030 55.445 0.825 1.00 13.86 ? 356 GLN B CD 1 ATOM 5194 O OE1 . GLN B 1 277 ? -19.102 56.671 0.906 1.00 13.57 ? 356 GLN B OE1 1 ATOM 5195 N NE2 . GLN B 1 277 ? -19.926 54.715 0.166 1.00 13.87 ? 356 GLN B NE2 1 ATOM 5196 N N . GLY B 1 278 ? -15.706 52.528 -2.417 1.00 12.68 ? 357 GLY B N 1 ATOM 5197 C CA . GLY B 1 278 ? -14.530 52.172 -3.190 1.00 13.55 ? 357 GLY B CA 1 ATOM 5198 C C . GLY B 1 278 ? -13.710 51.156 -2.413 1.00 14.03 ? 357 GLY B C 1 ATOM 5199 O O . GLY B 1 278 ? -14.159 50.032 -2.188 1.00 14.60 ? 357 GLY B O 1 ATOM 5200 N N . ASN B 1 279 ? -12.514 51.553 -1.987 1.00 12.75 ? 358 ASN B N 1 ATOM 5201 C CA . ASN B 1 279 ? -11.679 50.693 -1.154 1.00 12.62 ? 358 ASN B CA 1 ATOM 5202 C C . ASN B 1 279 ? -11.836 50.997 0.332 1.00 12.73 ? 358 ASN B C 1 ATOM 5203 O O . ASN B 1 279 ? -11.345 50.251 1.181 1.00 13.03 ? 358 ASN B O 1 ATOM 5204 C CB . ASN B 1 279 ? -10.208 50.830 -1.545 1.00 15.65 ? 358 ASN B CB 1 ATOM 5205 C CG . ASN B 1 279 ? -9.917 50.248 -2.908 1.00 17.75 ? 358 ASN B CG 1 ATOM 5206 O OD1 . ASN B 1 279 ? -10.570 49.300 -3.341 1.00 18.77 ? 358 ASN B OD1 1 ATOM 5207 N ND2 . ASN B 1 279 ? -8.931 50.810 -3.594 1.00 19.68 ? 358 ASN B ND2 1 ATOM 5208 N N . SER B 1 280 ? -12.511 52.102 0.637 1.00 12.32 ? 359 SER B N 1 ATOM 5209 C CA . SER B 1 280 ? -12.719 52.523 2.018 1.00 12.84 ? 359 SER B CA 1 ATOM 5210 C C . SER B 1 280 ? -14.059 52.009 2.553 1.00 12.73 ? 359 SER B C 1 ATOM 5211 O O . SER B 1 280 ? -14.785 51.301 1.856 1.00 11.99 ? 359 SER B O 1 ATOM 5212 C CB . SER B 1 280 ? -12.640 54.048 2.123 1.00 12.60 ? 359 SER B CB 1 ATOM 5213 O OG . SER B 1 280 ? -11.338 54.516 1.793 1.00 13.46 ? 359 SER B OG 1 ATOM 5214 N N . VAL B 1 281 ? -14.379 52.356 3.796 1.00 13.79 ? 360 VAL B N 1 ATOM 5215 C CA . VAL B 1 281 ? -15.612 51.884 4.416 1.00 12.34 ? 360 VAL B CA 1 ATOM 5216 C C . VAL B 1 281 ? -16.107 52.856 5.482 1.00 12.49 ? 360 VAL B C 1 ATOM 5217 O O . VAL B 1 281 ? -15.318 53.385 6.268 1.00 12.74 ? 360 VAL B O 1 ATOM 5218 C CB . VAL B 1 281 ? -15.424 50.470 5.040 1.00 11.28 ? 360 VAL B CB 1 ATOM 5219 C CG1 . VAL B 1 281 ? -14.377 50.489 6.155 1.00 12.80 ? 360 VAL B CG1 1 ATOM 5220 C CG2 . VAL B 1 281 ? -16.762 49.904 5.542 1.00 12.34 ? 360 VAL B CG2 1 ATOM 5221 N N . TRP B 1 282 ? -17.414 53.112 5.477 1.00 10.92 ? 361 TRP B N 1 ATOM 5222 C CA . TRP B 1 282 ? -18.081 53.764 6.598 1.00 10.05 ? 361 TRP B CA 1 ATOM 5223 C C . TRP B 1 282 ? -18.566 52.647 7.504 1.00 10.45 ? 361 TRP B C 1 ATOM 5224 O O . TRP B 1 282 ? -19.307 51.773 7.060 1.00 11.94 ? 361 TRP B O 1 ATOM 5225 C CB . TRP B 1 282 ? -19.310 54.539 6.124 1.00 11.10 ? 361 TRP B CB 1 ATOM 5226 C CG . TRP B 1 282 ? -19.086 55.938 5.618 1.00 11.26 ? 361 TRP B CG 1 ATOM 5227 C CD1 . TRP B 1 282 ? -19.166 56.359 4.324 1.00 11.24 ? 361 TRP B CD1 1 ATOM 5228 C CD2 . TRP B 1 282 ? -18.801 57.104 6.403 1.00 11.78 ? 361 TRP B CD2 1 ATOM 5229 N NE1 . TRP B 1 282 ? -18.930 57.710 4.250 1.00 12.96 ? 361 TRP B NE1 1 ATOM 5230 C CE2 . TRP B 1 282 ? -18.705 58.192 5.512 1.00 12.72 ? 361 TRP B CE2 1 ATOM 5231 C CE3 . TRP B 1 282 ? -18.613 57.333 7.769 1.00 12.50 ? 361 TRP B CE3 1 ATOM 5232 C CZ2 . TRP B 1 282 ? -18.432 59.489 5.942 1.00 13.09 ? 361 TRP B CZ2 1 ATOM 5233 C CZ3 . TRP B 1 282 ? -18.342 58.622 8.196 1.00 12.96 ? 361 TRP B CZ3 1 ATOM 5234 C CH2 . TRP B 1 282 ? -18.253 59.683 7.285 1.00 13.61 ? 361 TRP B CH2 1 ATOM 5235 N N . ALA B 1 283 ? -18.157 52.656 8.765 1.00 9.80 ? 362 ALA B N 1 ATOM 5236 C CA . ALA B 1 283 ? -18.583 51.605 9.683 1.00 10.33 ? 362 ALA B CA 1 ATOM 5237 C C . ALA B 1 283 ? -19.115 52.201 10.976 1.00 11.68 ? 362 ALA B C 1 ATOM 5238 O O . ALA B 1 283 ? -18.506 53.105 11.550 1.00 13.15 ? 362 ALA B O 1 ATOM 5239 C CB . ALA B 1 283 ? -17.439 50.644 9.967 1.00 11.26 ? 362 ALA B CB 1 ATOM 5240 N N . GLY B 1 284 ? -20.252 51.693 11.437 1.00 9.83 ? 363 GLY B N 1 ATOM 5241 C CA . GLY B 1 284 ? -20.827 52.179 12.675 1.00 9.33 ? 363 GLY B CA 1 ATOM 5242 C C . GLY B 1 284 ? -20.321 51.380 13.859 1.00 10.20 ? 363 GLY B C 1 ATOM 5243 O O . GLY B 1 284 ? -19.893 50.234 13.710 1.00 12.01 ? 363 GLY B O 1 ATOM 5244 N N . ARG B 1 285 ? -20.352 51.985 15.041 1.00 8.86 ? 364 ARG B N 1 ATOM 5245 C CA . ARG B 1 285 ? -20.096 51.227 16.259 1.00 8.59 ? 364 ARG B CA 1 ATOM 5246 C C . ARG B 1 285 ? -20.580 51.972 17.488 1.00 9.46 ? 364 ARG B C 1 ATOM 5247 O O . ARG B 1 285 ? -20.708 53.198 17.468 1.00 10.47 ? 364 ARG B O 1 ATOM 5248 C CB . ARG B 1 285 ? -18.612 50.880 16.395 1.00 9.46 ? 364 ARG B CB 1 ATOM 5249 C CG . ARG B 1 285 ? -17.692 52.069 16.625 1.00 9.88 ? 364 ARG B CG 1 ATOM 5250 C CD . ARG B 1 285 ? -16.265 51.575 16.822 1.00 10.29 ? 364 ARG B CD 1 ATOM 5251 N NE . ARG B 1 285 ? -15.309 52.644 17.095 1.00 11.25 ? 364 ARG B NE 1 ATOM 5252 C CZ . ARG B 1 285 ? -14.007 52.441 17.264 1.00 13.31 ? 364 ARG B CZ 1 ATOM 5253 N NH1 . ARG B 1 285 ? -13.518 51.211 17.184 1.00 12.78 ? 364 ARG B NH1 1 ATOM 5254 N NH2 . ARG B 1 285 ? -13.193 53.461 17.508 1.00 14.65 ? 364 ARG B NH2 1 ATOM 5255 N N . THR B 1 286 ? -20.867 51.230 18.552 1.00 9.67 ? 365 THR B N 1 ATOM 5256 C CA . THR B 1 286 ? -21.160 51.855 19.836 1.00 8.82 ? 365 THR B CA 1 ATOM 5257 C C . THR B 1 286 ? -19.913 52.604 20.275 1.00 10.16 ? 365 THR B C 1 ATOM 5258 O O . THR B 1 286 ? -18.801 52.259 19.869 1.00 11.17 ? 365 THR B O 1 ATOM 5259 C CB . THR B 1 286 ? -21.503 50.806 20.905 1.00 9.93 ? 365 THR B CB 1 ATOM 5260 O OG1 . THR B 1 286 ? -20.366 49.961 21.119 1.00 10.37 ? 365 THR B OG1 1 ATOM 5261 C CG2 . THR B 1 286 ? -22.690 49.955 20.464 1.00 10.05 ? 365 THR B CG2 1 ATOM 5262 N N . VAL B 1 287 ? -20.083 53.641 21.088 1.00 10.75 ? 366 VAL B N 1 ATOM 5263 C CA . VAL B 1 287 ? -18.921 54.348 21.616 1.00 11.42 ? 366 VAL B CA 1 ATOM 5264 C C . VAL B 1 287 ? -18.220 53.504 22.680 1.00 11.96 ? 366 VAL B C 1 ATOM 5265 O O . VAL B 1 287 ? -16.994 53.378 22.684 1.00 12.46 ? 366 VAL B O 1 ATOM 5266 C CB . VAL B 1 287 ? -19.302 55.730 22.176 1.00 12.09 ? 366 VAL B CB 1 ATOM 5267 C CG1 . VAL B 1 287 ? -18.106 56.374 22.862 1.00 11.61 ? 366 VAL B CG1 1 ATOM 5268 C CG2 . VAL B 1 287 ? -19.817 56.617 21.053 1.00 12.21 ? 366 VAL B CG2 1 ATOM 5269 N N . SER B 1 288 ? -19.005 52.920 23.577 1.00 11.77 ? 367 SER B N 1 ATOM 5270 C CA . SER B 1 288 ? -18.461 52.016 24.584 1.00 11.11 ? 367 SER B CA 1 ATOM 5271 C C . SER B 1 288 ? -17.918 50.757 23.921 1.00 11.13 ? 367 SER B C 1 ATOM 5272 O O . SER B 1 288 ? -18.492 50.270 22.949 1.00 12.40 ? 367 SER B O 1 ATOM 5273 C CB . SER B 1 288 ? -19.541 51.632 25.589 1.00 11.21 ? 367 SER B CB 1 ATOM 5274 O OG . SER B 1 288 ? -19.055 50.666 26.505 1.00 11.84 ? 367 SER B OG 1 ATOM 5275 N N . ILE B 1 289 ? -16.817 50.229 24.449 1.00 10.95 ? 368 ILE B N 1 ATOM 5276 C CA . ILE B 1 289 ? -16.269 48.974 23.936 1.00 10.80 ? 368 ILE B CA 1 ATOM 5277 C C . ILE B 1 289 ? -16.935 47.755 24.569 1.00 13.10 ? 368 ILE B C 1 ATOM 5278 O O . ILE B 1 289 ? -16.757 46.635 24.092 1.00 14.90 ? 368 ILE B O 1 ATOM 5279 C CB . ILE B 1 289 ? -14.728 48.867 24.126 1.00 12.22 ? 368 ILE B CB 1 ATOM 5280 C CG1 . ILE B 1 289 ? -14.354 48.802 25.613 1.00 13.54 ? 368 ILE B CG1 1 ATOM 5281 C CG2 . ILE B 1 289 ? -14.012 50.014 23.421 1.00 13.10 ? 368 ILE B CG2 1 ATOM 5282 C CD1 . ILE B 1 289 ? -12.873 48.525 25.851 1.00 14.86 ? 368 ILE B CD1 1 ATOM 5283 N N . SER B 1 290 ? -17.707 47.969 25.634 1.00 12.62 ? 369 SER B N 1 ATOM 5284 C CA . SER B 1 290 ? -18.242 46.849 26.406 1.00 15.20 ? 369 SER B CA 1 ATOM 5285 C C . SER B 1 290 ? -19.762 46.776 26.451 1.00 15.96 ? 369 SER B C 1 ATOM 5286 O O . SER B 1 290 ? -20.335 45.688 26.530 1.00 18.27 ? 369 SER B O 1 ATOM 5287 C CB . SER B 1 290 ? -17.679 46.866 27.831 1.00 17.44 ? 369 SER B CB 1 ATOM 5288 O OG . SER B 1 290 ? -17.898 48.124 28.450 1.00 20.42 ? 369 SER B OG 1 ATOM 5289 N N . SER B 1 291 ? -20.413 47.931 26.409 1.00 15.31 ? 370 SER B N 1 ATOM 5290 C CA . SER B 1 291 ? -21.862 47.983 26.510 1.00 14.67 ? 370 SER B CA 1 ATOM 5291 C C . SER B 1 291 ? -22.470 48.656 25.294 1.00 12.05 ? 370 SER B C 1 ATOM 5292 O O . SER B 1 291 ? -21.774 49.301 24.506 1.00 11.80 ? 370 SER B O 1 ATOM 5293 C CB . SER B 1 291 ? -22.292 48.733 27.771 1.00 19.67 ? 370 SER B CB 1 ATOM 5294 O OG . SER B 1 291 ? -21.973 50.108 27.673 1.00 23.77 ? 370 SER B OG 1 ATOM 5295 N N . ARG B 1 292 ? -23.781 48.507 25.156 1.00 9.44 ? 371 ARG B N 1 ATOM 5296 C CA . ARG B 1 292 ? -24.491 49.097 24.038 1.00 8.26 ? 371 ARG B CA 1 ATOM 5297 C C . ARG B 1 292 ? -24.832 50.543 24.380 1.00 9.41 ? 371 ARG B C 1 ATOM 5298 O O . ARG B 1 292 ? -25.985 50.887 24.654 1.00 9.17 ? 371 ARG B O 1 ATOM 5299 C CB . ARG B 1 292 ? -25.731 48.267 23.716 1.00 7.82 ? 371 ARG B CB 1 ATOM 5300 C CG . ARG B 1 292 ? -25.363 46.879 23.205 1.00 8.51 ? 371 ARG B CG 1 ATOM 5301 C CD . ARG B 1 292 ? -26.530 45.908 23.185 1.00 7.77 ? 371 ARG B CD 1 ATOM 5302 N NE . ARG B 1 292 ? -26.131 44.661 22.542 1.00 7.55 ? 371 ARG B NE 1 ATOM 5303 C CZ . ARG B 1 292 ? -26.968 43.679 22.229 1.00 7.51 ? 371 ARG B CZ 1 ATOM 5304 N NH1 . ARG B 1 292 ? -28.260 43.787 22.522 1.00 8.99 ? 371 ARG B NH1 1 ATOM 5305 N NH2 . ARG B 1 292 ? -26.513 42.590 21.615 1.00 8.15 ? 371 ARG B NH2 1 ATOM 5306 N N A SER B 1 293 ? -23.803 51.384 24.355 0.42 8.71 ? 372 SER B N 1 ATOM 5307 N N B SER B 1 293 ? -23.810 51.390 24.389 0.58 9.08 ? 372 SER B N 1 ATOM 5308 C CA A SER B 1 293 ? -23.929 52.789 24.721 0.42 8.80 ? 372 SER B CA 1 ATOM 5309 C CA B SER B 1 293 ? -24.010 52.800 24.689 0.58 9.65 ? 372 SER B CA 1 ATOM 5310 C C A SER B 1 293 ? -23.237 53.673 23.691 0.42 8.54 ? 372 SER B C 1 ATOM 5311 C C B SER B 1 293 ? -23.249 53.678 23.714 0.58 8.88 ? 372 SER B C 1 ATOM 5312 O O A SER B 1 293 ? -22.142 53.352 23.227 0.42 8.80 ? 372 SER B O 1 ATOM 5313 O O B SER B 1 293 ? -22.130 53.359 23.311 0.58 9.12 ? 372 SER B O 1 ATOM 5314 C CB A SER B 1 293 ? -23.316 53.020 26.102 0.42 9.47 ? 372 SER B CB 1 ATOM 5315 C CB B SER B 1 293 ? -23.612 53.117 26.132 0.58 11.53 ? 372 SER B CB 1 ATOM 5316 O OG A SER B 1 293 ? -23.402 54.382 26.477 0.42 9.88 ? 372 SER B OG 1 ATOM 5317 O OG B SER B 1 293 ? -22.237 52.875 26.354 0.58 12.47 ? 372 SER B OG 1 ATOM 5318 N N . GLY B 1 294 ? -23.878 54.783 23.331 1.00 8.15 ? 373 GLY B N 1 ATOM 5319 C CA . GLY B 1 294 ? -23.315 55.693 22.356 1.00 8.30 ? 373 GLY B CA 1 ATOM 5320 C C . GLY B 1 294 ? -23.365 55.134 20.948 1.00 7.97 ? 373 GLY B C 1 ATOM 5321 O O . GLY B 1 294 ? -23.575 53.933 20.745 1.00 9.43 ? 373 GLY B O 1 ATOM 5322 N N . PHE B 1 295 ? -23.183 56.005 19.966 1.00 8.20 ? 374 PHE B N 1 ATOM 5323 C CA . PHE B 1 295 ? -23.041 55.545 18.593 1.00 9.05 ? 374 PHE B CA 1 ATOM 5324 C C . PHE B 1 295 ? -22.280 56.539 17.719 1.00 10.64 ? 374 PHE B C 1 ATOM 5325 O O . PHE B 1 295 ? -22.549 57.745 17.737 1.00 10.26 ? 374 PHE B O 1 ATOM 5326 C CB . PHE B 1 295 ? -24.397 55.213 17.965 1.00 8.41 ? 374 PHE B CB 1 ATOM 5327 C CG . PHE B 1 295 ? -24.286 54.307 16.778 1.00 9.58 ? 374 PHE B CG 1 ATOM 5328 C CD1 . PHE B 1 295 ? -24.026 52.955 16.956 1.00 9.42 ? 374 PHE B CD1 1 ATOM 5329 C CD2 . PHE B 1 295 ? -24.398 54.802 15.489 1.00 10.08 ? 374 PHE B CD2 1 ATOM 5330 C CE1 . PHE B 1 295 ? -23.899 52.109 15.871 1.00 10.70 ? 374 PHE B CE1 1 ATOM 5331 C CE2 . PHE B 1 295 ? -24.273 53.956 14.392 1.00 10.92 ? 374 PHE B CE2 1 ATOM 5332 C CZ . PHE B 1 295 ? -24.023 52.610 14.585 1.00 10.46 ? 374 PHE B CZ 1 ATOM 5333 N N . GLU B 1 296 ? -21.322 56.015 16.961 1.00 10.02 ? 375 GLU B N 1 ATOM 5334 C CA . GLU B 1 296 ? -20.511 56.827 16.065 1.00 9.84 ? 375 GLU B CA 1 ATOM 5335 C C . GLU B 1 296 ? -20.347 56.086 14.747 1.00 11.35 ? 375 GLU B C 1 ATOM 5336 O O . GLU B 1 296 ? -20.482 54.861 14.696 1.00 12.20 ? 375 GLU B O 1 ATOM 5337 C CB . GLU B 1 296 ? -19.135 57.103 16.688 1.00 12.23 ? 375 GLU B CB 1 ATOM 5338 C CG . GLU B 1 296 ? -18.345 55.841 17.018 1.00 15.20 ? 375 GLU B CG 1 ATOM 5339 C CD . GLU B 1 296 ? -17.064 56.122 17.796 1.00 18.73 ? 375 GLU B CD 1 ATOM 5340 O OE1 . GLU B 1 296 ? -16.963 57.198 18.424 1.00 21.21 ? 375 GLU B OE1 1 ATOM 5341 O OE2 . GLU B 1 296 ? -16.157 55.260 17.784 1.00 19.78 ? 375 GLU B OE2 1 ATOM 5342 N N . ILE B 1 297 ? -20.062 56.826 13.680 1.00 11.27 ? 376 ILE B N 1 ATOM 5343 C CA . ILE B 1 297 ? -19.756 56.207 12.400 1.00 10.91 ? 376 ILE B CA 1 ATOM 5344 C C . ILE B 1 297 ? -18.412 56.735 11.918 1.00 11.82 ? 376 ILE B C 1 ATOM 5345 O O . ILE B 1 297 ? -18.139 57.935 11.993 1.00 14.35 ? 376 ILE B O 1 ATOM 5346 C CB . ILE B 1 297 ? -20.850 56.468 11.339 1.00 12.77 ? 376 ILE B CB 1 ATOM 5347 C CG1 . ILE B 1 297 ? -22.243 56.274 11.937 1.00 15.53 ? 376 ILE B CG1 1 ATOM 5348 C CG2 . ILE B 1 297 ? -20.662 55.544 10.139 1.00 15.24 ? 376 ILE B CG2 1 ATOM 5349 C CD1 . ILE B 1 297 ? -22.806 57.528 12.603 1.00 18.60 ? 376 ILE B CD1 1 ATOM 5350 N N . LEU B 1 298 ? -17.575 55.823 11.436 1.00 10.85 ? 377 LEU B N 1 ATOM 5351 C CA . LEU B 1 298 ? -16.199 56.132 11.073 1.00 10.64 ? 377 LEU B CA 1 ATOM 5352 C C . LEU B 1 298 ? -15.976 55.855 9.598 1.00 11.43 ? 377 LEU B C 1 ATOM 5353 O O . LEU B 1 298 ? -16.411 54.826 9.089 1.00 11.50 ? 377 LEU B O 1 ATOM 5354 C CB . LEU B 1 298 ? -15.237 55.245 11.863 1.00 12.97 ? 377 LEU B CB 1 ATOM 5355 C CG . LEU B 1 298 ? -15.425 55.086 13.369 1.00 16.80 ? 377 LEU B CG 1 ATOM 5356 C CD1 . LEU B 1 298 ? -14.335 54.180 13.924 1.00 17.63 ? 377 LEU B CD1 1 ATOM 5357 C CD2 . LEU B 1 298 ? -15.387 56.431 14.043 1.00 20.98 ? 377 LEU B CD2 1 ATOM 5358 N N . LEU B 1 299 ? -15.289 56.767 8.917 1.00 10.63 ? 378 LEU B N 1 ATOM 5359 C CA . LEU B 1 299 ? -14.829 56.510 7.561 1.00 12.31 ? 378 LEU B CA 1 ATOM 5360 C C . LEU B 1 299 ? -13.372 56.075 7.648 1.00 13.66 ? 378 LEU B C 1 ATOM 5361 O O . LEU B 1 299 ? -12.503 56.864 8.012 1.00 14.81 ? 378 LEU B O 1 ATOM 5362 C CB . LEU B 1 299 ? -14.970 57.759 6.688 1.00 12.80 ? 378 LEU B CB 1 ATOM 5363 C CG . LEU B 1 299 ? -14.520 57.620 5.232 1.00 12.63 ? 378 LEU B CG 1 ATOM 5364 C CD1 . LEU B 1 299 ? -15.263 56.480 4.537 1.00 15.01 ? 378 LEU B CD1 1 ATOM 5365 C CD2 . LEU B 1 299 ? -14.713 58.933 4.476 1.00 13.43 ? 378 LEU B CD2 1 ATOM 5366 N N . ILE B 1 300 ? -13.117 54.808 7.344 1.00 12.41 ? 379 ILE B N 1 ATOM 5367 C CA . ILE B 1 300 ? -11.783 54.240 7.489 1.00 13.63 ? 379 ILE B CA 1 ATOM 5368 C C . ILE B 1 300 ? -11.147 54.093 6.120 1.00 13.92 ? 379 ILE B C 1 ATOM 5369 O O . ILE B 1 300 ? -11.648 53.359 5.266 1.00 13.19 ? 379 ILE B O 1 ATOM 5370 C CB . ILE B 1 300 ? -11.834 52.871 8.194 1.00 12.87 ? 379 ILE B CB 1 ATOM 5371 C CG1 . ILE B 1 300 ? -12.583 52.997 9.521 1.00 14.66 ? 379 ILE B CG1 1 ATOM 5372 C CG2 . ILE B 1 300 ? -10.413 52.312 8.408 1.00 12.79 ? 379 ILE B CG2 1 ATOM 5373 C CD1 . ILE B 1 300 ? -13.001 51.669 10.119 1.00 14.57 ? 379 ILE B CD1 1 ATOM 5374 N N . GLU B 1 301 ? -10.050 54.813 5.913 1.00 14.18 ? 380 GLU B N 1 ATOM 5375 C CA . GLU B 1 301 ? -9.369 54.833 4.626 1.00 15.70 ? 380 GLU B CA 1 ATOM 5376 C C . GLU B 1 301 ? -8.844 53.448 4.253 1.00 14.57 ? 380 GLU B C 1 ATOM 5377 O O . GLU B 1 301 ? -8.067 52.844 5.000 1.00 14.62 ? 380 GLU B O 1 ATOM 5378 C CB . GLU B 1 301 ? -8.224 55.842 4.658 1.00 18.38 ? 380 GLU B CB 1 ATOM 5379 C CG . GLU B 1 301 ? -7.469 55.984 3.349 1.00 23.14 ? 380 GLU B CG 1 ATOM 5380 C CD . GLU B 1 301 ? -6.510 57.160 3.366 1.00 29.38 ? 380 GLU B CD 1 ATOM 5381 O OE1 . GLU B 1 301 ? -5.435 57.044 3.988 1.00 31.44 ? 380 GLU B OE1 1 ATOM 5382 O OE2 . GLU B 1 301 ? -6.834 58.203 2.760 1.00 32.86 ? 380 GLU B OE2 1 ATOM 5383 N N . ASP B 1 302 ? -9.276 52.956 3.095 1.00 15.10 ? 381 ASP B N 1 ATOM 5384 C CA . ASP B 1 302 ? -8.881 51.637 2.599 1.00 15.78 ? 381 ASP B CA 1 ATOM 5385 C C . ASP B 1 302 ? -9.311 50.496 3.520 1.00 15.76 ? 381 ASP B C 1 ATOM 5386 O O . ASP B 1 302 ? -8.778 49.390 3.442 1.00 16.32 ? 381 ASP B O 1 ATOM 5387 C CB . ASP B 1 302 ? -7.372 51.584 2.352 1.00 18.19 ? 381 ASP B CB 1 ATOM 5388 C CG . ASP B 1 302 ? -6.946 52.469 1.198 1.00 20.85 ? 381 ASP B CG 1 ATOM 5389 O OD1 . ASP B 1 302 ? -7.782 52.709 0.303 1.00 22.06 ? 381 ASP B OD1 1 ATOM 5390 O OD2 . ASP B 1 302 ? -5.784 52.927 1.183 1.00 23.18 ? 381 ASP B OD2 1 ATOM 5391 N N . GLY B 1 303 ? -10.290 50.764 4.377 1.00 14.91 ? 382 GLY B N 1 ATOM 5392 C CA . GLY B 1 303 ? -10.695 49.806 5.388 1.00 14.44 ? 382 GLY B CA 1 ATOM 5393 C C . GLY B 1 303 ? -11.429 48.585 4.872 1.00 14.52 ? 382 GLY B C 1 ATOM 5394 O O . GLY B 1 303 ? -11.619 47.621 5.612 1.00 14.78 ? 382 GLY B O 1 ATOM 5395 N N . TRP B 1 304 ? -11.853 48.617 3.613 1.00 14.42 ? 383 TRP B N 1 ATOM 5396 C CA . TRP B 1 304 ? -12.510 47.455 3.019 1.00 15.10 ? 383 TRP B CA 1 ATOM 5397 C C . TRP B 1 304 ? -11.490 46.442 2.500 1.00 16.12 ? 383 TRP B C 1 ATOM 5398 O O . TRP B 1 304 ? -11.798 45.257 2.380 1.00 18.56 ? 383 TRP B O 1 ATOM 5399 C CB . TRP B 1 304 ? -13.454 47.886 1.888 1.00 15.02 ? 383 TRP B CB 1 ATOM 5400 C CG . TRP B 1 304 ? -14.441 46.832 1.441 1.00 14.51 ? 383 TRP B CG 1 ATOM 5401 C CD1 . TRP B 1 304 ? -14.279 45.930 0.425 1.00 15.72 ? 383 TRP B CD1 1 ATOM 5402 C CD2 . TRP B 1 304 ? -15.747 46.593 1.983 1.00 14.93 ? 383 TRP B CD2 1 ATOM 5403 N NE1 . TRP B 1 304 ? -15.400 45.138 0.311 1.00 16.15 ? 383 TRP B NE1 1 ATOM 5404 C CE2 . TRP B 1 304 ? -16.316 45.527 1.252 1.00 15.83 ? 383 TRP B CE2 1 ATOM 5405 C CE3 . TRP B 1 304 ? -16.492 47.178 3.012 1.00 15.09 ? 383 TRP B CE3 1 ATOM 5406 C CZ2 . TRP B 1 304 ? -17.592 45.030 1.523 1.00 16.06 ? 383 TRP B CZ2 1 ATOM 5407 C CZ3 . TRP B 1 304 ? -17.761 46.681 3.281 1.00 15.92 ? 383 TRP B CZ3 1 ATOM 5408 C CH2 . TRP B 1 304 ? -18.297 45.620 2.537 1.00 16.51 ? 383 TRP B CH2 1 ATOM 5409 N N . ILE B 1 305 ? -10.274 46.901 2.206 1.00 15.99 ? 384 ILE B N 1 ATOM 5410 C CA . ILE B 1 305 ? -9.299 46.054 1.517 1.00 16.96 ? 384 ILE B CA 1 ATOM 5411 C C . ILE B 1 305 ? -8.013 45.783 2.294 1.00 17.88 ? 384 ILE B C 1 ATOM 5412 O O . ILE B 1 305 ? -7.230 44.910 1.913 1.00 19.21 ? 384 ILE B O 1 ATOM 5413 C CB . ILE B 1 305 ? -8.932 46.621 0.129 1.00 18.54 ? 384 ILE B CB 1 ATOM 5414 C CG1 . ILE B 1 305 ? -8.123 47.914 0.270 1.00 18.75 ? 384 ILE B CG1 1 ATOM 5415 C CG2 . ILE B 1 305 ? -10.187 46.839 -0.703 1.00 19.38 ? 384 ILE B CG2 1 ATOM 5416 C CD1 . ILE B 1 305 ? -7.520 48.403 -1.039 1.00 19.67 ? 384 ILE B CD1 1 ATOM 5417 N N . ARG B 1 306 ? -7.782 46.524 3.372 1.00 17.21 ? 385 ARG B N 1 ATOM 5418 C CA . ARG B 1 306 ? -6.587 46.293 4.182 1.00 18.61 ? 385 ARG B CA 1 ATOM 5419 C C . ARG B 1 306 ? -6.778 46.687 5.640 1.00 16.65 ? 385 ARG B C 1 ATOM 5420 O O . ARG B 1 306 ? -7.747 47.361 5.987 1.00 16.00 ? 385 ARG B O 1 ATOM 5421 C CB . ARG B 1 306 ? -5.366 46.995 3.586 1.00 22.04 ? 385 ARG B CB 1 ATOM 5422 C CG . ARG B 1 306 ? -5.436 48.502 3.599 1.00 24.70 ? 385 ARG B CG 1 ATOM 5423 C CD . ARG B 1 306 ? -4.121 49.109 3.118 1.00 27.74 ? 385 ARG B CD 1 ATOM 5424 N NE . ARG B 1 306 ? -4.214 50.562 3.031 1.00 30.05 ? 385 ARG B NE 1 ATOM 5425 C CZ . ARG B 1 306 ? -3.949 51.391 4.037 1.00 31.38 ? 385 ARG B CZ 1 ATOM 5426 N NH1 . ARG B 1 306 ? -3.562 50.913 5.212 1.00 31.48 ? 385 ARG B NH1 1 ATOM 5427 N NH2 . ARG B 1 306 ? -4.070 52.700 3.866 1.00 32.65 ? 385 ARG B NH2 1 ATOM 5428 N N . THR B 1 307 ? -5.838 46.262 6.480 1.00 16.38 ? 387 THR B N 1 ATOM 5429 C CA . THR B 1 307 ? -5.961 46.398 7.929 1.00 16.57 ? 387 THR B CA 1 ATOM 5430 C C . THR B 1 307 ? -5.661 47.815 8.409 1.00 16.02 ? 387 THR B C 1 ATOM 5431 O O . THR B 1 307 ? -4.949 48.020 9.394 1.00 16.10 ? 387 THR B O 1 ATOM 5432 C CB . THR B 1 307 ? -5.053 45.388 8.660 1.00 18.34 ? 387 THR B CB 1 ATOM 5433 O OG1 . THR B 1 307 ? -3.696 45.550 8.222 1.00 19.10 ? 387 THR B OG1 1 ATOM 5434 C CG2 . THR B 1 307 ? -5.501 43.961 8.368 1.00 19.24 ? 387 THR B CG2 1 ATOM 5435 N N . SER B 1 308 ? -6.231 48.787 7.707 1.00 16.35 ? 388 SER B N 1 ATOM 5436 C CA . SER B 1 308 ? -6.007 50.197 7.984 1.00 17.02 ? 388 SER B CA 1 ATOM 5437 C C . SER B 1 308 ? -6.548 50.631 9.341 1.00 17.27 ? 388 SER B C 1 ATOM 5438 O O . SER B 1 308 ? -7.589 50.146 9.800 1.00 17.24 ? 388 SER B O 1 ATOM 5439 C CB . SER B 1 308 ? -6.651 51.047 6.887 1.00 16.63 ? 388 SER B CB 1 ATOM 5440 O OG . SER B 1 308 ? -6.535 52.429 7.182 1.00 16.52 ? 388 SER B OG 1 ATOM 5441 N N . LYS B 1 309 ? -5.832 51.558 9.971 1.00 17.65 ? 389 LYS B N 1 ATOM 5442 C CA . LYS B 1 309 ? -6.276 52.170 11.216 1.00 17.23 ? 389 LYS B CA 1 ATOM 5443 C C . LYS B 1 309 ? -6.507 53.660 10.994 1.00 17.09 ? 389 LYS B C 1 ATOM 5444 O O . LYS B 1 309 ? -6.691 54.422 11.944 1.00 19.13 ? 389 LYS B O 1 ATOM 5445 C CB . LYS B 1 309 ? -5.238 51.955 12.320 1.00 18.63 ? 389 LYS B CB 1 ATOM 5446 C CG . LYS B 1 309 ? -5.160 50.521 12.824 1.00 19.30 ? 389 LYS B CG 1 ATOM 5447 C CD . LYS B 1 309 ? -4.084 50.367 13.891 1.00 19.48 ? 389 LYS B CD 1 ATOM 5448 C CE . LYS B 1 309 ? -4.254 49.067 14.664 1.00 19.58 ? 389 LYS B CE 1 ATOM 5449 N NZ . LYS B 1 309 ? -5.444 49.120 15.559 1.00 19.14 ? 389 LYS B NZ 1 ATOM 5450 N N . THR B 1 310 ? -6.504 54.068 9.728 1.00 16.52 ? 390 THR B N 1 ATOM 5451 C CA . THR B 1 310 ? -6.626 55.478 9.372 1.00 17.18 ? 390 THR B CA 1 ATOM 5452 C C . THR B 1 310 ? -8.077 55.928 9.316 1.00 16.99 ? 390 THR B C 1 ATOM 5453 O O . THR B 1 310 ? -8.810 55.582 8.389 1.00 17.45 ? 390 THR B O 1 ATOM 5454 C CB . THR B 1 310 ? -5.969 55.770 8.015 1.00 19.46 ? 390 THR B CB 1 ATOM 5455 O OG1 . THR B 1 310 ? -4.589 55.383 8.062 1.00 21.43 ? 390 THR B OG1 1 ATOM 5456 C CG2 . THR B 1 310 ? -6.069 57.254 7.683 1.00 20.62 ? 390 THR B CG2 1 ATOM 5457 N N . ILE B 1 311 ? -8.481 56.706 10.313 1.00 16.78 ? 391 ILE B N 1 ATOM 5458 C CA . ILE B 1 311 ? -9.841 57.217 10.385 1.00 17.21 ? 391 ILE B CA 1 ATOM 5459 C C . ILE B 1 311 ? -9.897 58.617 9.783 1.00 17.84 ? 391 ILE B C 1 ATOM 5460 O O . ILE B 1 311 ? -9.326 59.569 10.328 1.00 20.65 ? 391 ILE B O 1 ATOM 5461 C CB . ILE B 1 311 ? -10.360 57.206 11.836 1.00 19.98 ? 391 ILE B CB 1 ATOM 5462 C CG1 . ILE B 1 311 ? -10.356 55.771 12.378 1.00 20.68 ? 391 ILE B CG1 1 ATOM 5463 C CG2 . ILE B 1 311 ? -11.755 57.812 11.915 1.00 20.20 ? 391 ILE B CG2 1 ATOM 5464 C CD1 . ILE B 1 311 ? -10.652 55.671 13.859 1.00 22.28 ? 391 ILE B CD1 1 ATOM 5465 N N . VAL B 1 312 ? -10.572 58.721 8.641 1.00 16.80 ? 392 VAL B N 1 ATOM 5466 C CA . VAL B 1 312 ? -10.612 59.944 7.844 1.00 18.75 ? 392 VAL B CA 1 ATOM 5467 C C . VAL B 1 312 ? -11.686 60.899 8.351 1.00 18.69 ? 392 VAL B C 1 ATOM 5468 O O . VAL B 1 312 ? -11.477 62.113 8.419 1.00 19.91 ? 392 VAL B O 1 ATOM 5469 C CB . VAL B 1 312 ? -10.922 59.619 6.368 1.00 23.61 ? 392 VAL B CB 1 ATOM 5470 C CG1 . VAL B 1 312 ? -10.723 60.844 5.494 1.00 25.52 ? 392 VAL B CG1 1 ATOM 5471 C CG2 . VAL B 1 312 ? -10.070 58.462 5.884 1.00 27.03 ? 392 VAL B CG2 1 ATOM 5472 N N . LYS B 1 313 ? -12.844 60.339 8.684 1.00 17.88 ? 393 LYS B N 1 ATOM 5473 C CA . LYS B 1 313 ? -13.948 61.098 9.257 1.00 17.78 ? 393 LYS B CA 1 ATOM 5474 C C . LYS B 1 313 ? -14.554 60.322 10.413 1.00 16.84 ? 393 LYS B C 1 ATOM 5475 O O . LYS B 1 313 ? -14.523 59.088 10.435 1.00 15.16 ? 393 LYS B O 1 ATOM 5476 C CB . LYS B 1 313 ? -15.038 61.359 8.214 1.00 19.37 ? 393 LYS B CB 1 ATOM 5477 C CG . LYS B 1 313 ? -14.654 62.332 7.111 1.00 22.05 ? 393 LYS B CG 1 ATOM 5478 C CD . LYS B 1 313 ? -15.812 62.513 6.139 1.00 24.60 ? 393 LYS B CD 1 ATOM 5479 C CE . LYS B 1 313 ? -15.508 63.553 5.072 1.00 27.23 ? 393 LYS B CE 1 ATOM 5480 N NZ . LYS B 1 313 ? -14.397 63.142 4.181 1.00 30.23 ? 393 LYS B NZ 1 ATOM 5481 N N . LYS B 1 314 ? -15.104 61.051 11.375 1.00 17.41 ? 394 LYS B N 1 ATOM 5482 C CA . LYS B 1 314 ? -15.878 60.439 12.444 1.00 19.71 ? 394 LYS B CA 1 ATOM 5483 C C . LYS B 1 314 ? -17.058 61.330 12.802 1.00 18.97 ? 394 LYS B C 1 ATOM 5484 O O . LYS B 1 314 ? -16.918 62.547 12.934 1.00 20.49 ? 394 LYS B O 1 ATOM 5485 C CB . LYS B 1 314 ? -15.021 60.198 13.687 1.00 24.10 ? 394 LYS B CB 1 ATOM 5486 C CG . LYS B 1 314 ? -15.833 59.700 14.870 1.00 28.77 ? 394 LYS B CG 1 ATOM 5487 C CD . LYS B 1 314 ? -15.155 59.982 16.195 1.00 33.80 ? 394 LYS B CD 1 ATOM 5488 C CE . LYS B 1 314 ? -14.261 58.833 16.615 1.00 36.73 ? 394 LYS B CE 1 ATOM 5489 N NZ . LYS B 1 314 ? -13.696 59.055 17.976 1.00 38.73 ? 394 LYS B NZ 1 ATOM 5490 N N . VAL B 1 315 ? -18.227 60.723 12.952 1.00 16.78 ? 395 VAL B N 1 ATOM 5491 C CA . VAL B 1 315 ? -19.403 61.467 13.371 1.00 15.30 ? 395 VAL B CA 1 ATOM 5492 C C . VAL B 1 315 ? -20.099 60.711 14.483 1.00 14.20 ? 395 VAL B C 1 ATOM 5493 O O . VAL B 1 315 ? -20.361 59.514 14.360 1.00 16.11 ? 395 VAL B O 1 ATOM 5494 C CB . VAL B 1 315 ? -20.391 61.676 12.215 1.00 17.78 ? 395 VAL B CB 1 ATOM 5495 C CG1 . VAL B 1 315 ? -21.519 62.596 12.651 1.00 18.87 ? 395 VAL B CG1 1 ATOM 5496 C CG2 . VAL B 1 315 ? -19.674 62.254 11.009 1.00 20.38 ? 395 VAL B CG2 1 ATOM 5497 N N . GLU B 1 316 ? -20.384 61.410 15.576 1.00 11.56 ? 396 GLU B N 1 ATOM 5498 C CA . GLU B 1 316 ? -21.121 60.826 16.683 1.00 10.38 ? 396 GLU B CA 1 ATOM 5499 C C . GLU B 1 316 ? -22.566 61.299 16.620 1.00 11.58 ? 396 GLU B C 1 ATOM 5500 O O . GLU B 1 316 ? -22.825 62.505 16.516 1.00 12.35 ? 396 GLU B O 1 ATOM 5501 C CB . GLU B 1 316 ? -20.485 61.236 18.011 1.00 10.77 ? 396 GLU B CB 1 ATOM 5502 C CG . GLU B 1 316 ? -21.235 60.730 19.239 1.00 11.71 ? 396 GLU B CG 1 ATOM 5503 C CD . GLU B 1 316 ? -20.545 61.107 20.535 1.00 16.26 ? 396 GLU B CD 1 ATOM 5504 O OE1 . GLU B 1 316 ? -20.951 62.107 21.162 1.00 18.12 ? 396 GLU B OE1 1 ATOM 5505 O OE2 . GLU B 1 316 ? -19.588 60.409 20.923 1.00 19.09 ? 396 GLU B OE2 1 ATOM 5506 N N . VAL B 1 317 ? -23.504 60.354 16.681 1.00 10.09 ? 397 VAL B N 1 ATOM 5507 C CA . VAL B 1 317 ? -24.927 60.686 16.645 1.00 9.64 ? 397 VAL B CA 1 ATOM 5508 C C . VAL B 1 317 ? -25.635 60.364 17.967 1.00 9.02 ? 397 VAL B C 1 ATOM 5509 O O . VAL B 1 317 ? -26.826 60.633 18.130 1.00 10.19 ? 397 VAL B O 1 ATOM 5510 C CB . VAL B 1 317 ? -25.653 59.989 15.470 1.00 9.55 ? 397 VAL B CB 1 ATOM 5511 C CG1 . VAL B 1 317 ? -25.048 60.424 14.128 1.00 10.65 ? 397 VAL B CG1 1 ATOM 5512 C CG2 . VAL B 1 317 ? -25.608 58.468 15.625 1.00 10.88 ? 397 VAL B CG2 1 ATOM 5513 N N . LEU B 1 318 ? -24.893 59.788 18.907 1.00 9.17 ? 398 LEU B N 1 ATOM 5514 C CA . LEU B 1 318 ? -25.413 59.492 20.240 1.00 8.93 ? 398 LEU B CA 1 ATOM 5515 C C . LEU B 1 318 ? -24.230 59.425 21.190 1.00 9.43 ? 398 LEU B C 1 ATOM 5516 O O . LEU B 1 318 ? -23.292 58.670 20.954 1.00 10.39 ? 398 LEU B O 1 ATOM 5517 C CB . LEU B 1 318 ? -26.158 58.152 20.250 1.00 9.00 ? 398 LEU B CB 1 ATOM 5518 C CG . LEU B 1 318 ? -26.829 57.776 21.578 1.00 9.22 ? 398 LEU B CG 1 ATOM 5519 C CD1 . LEU B 1 318 ? -28.044 58.653 21.821 1.00 9.01 ? 398 LEU B CD1 1 ATOM 5520 C CD2 . LEU B 1 318 ? -27.231 56.309 21.583 1.00 12.15 ? 398 LEU B CD2 1 ATOM 5521 N N . ASN B 1 319 ? -24.252 60.209 22.262 1.00 9.50 ? 399 ASN B N 1 ATOM 5522 C CA . ASN B 1 319 ? -23.099 60.211 23.153 1.00 11.09 ? 399 ASN B CA 1 ATOM 5523 C C . ASN B 1 319 ? -23.089 58.996 24.083 1.00 11.77 ? 399 ASN B C 1 ATOM 5524 O O . ASN B 1 319 ? -24.070 58.252 24.157 1.00 11.85 ? 399 ASN B O 1 ATOM 5525 C CB . ASN B 1 319 ? -22.940 61.547 23.896 1.00 13.83 ? 399 ASN B CB 1 ATOM 5526 C CG . ASN B 1 319 ? -24.032 61.797 24.906 1.00 15.17 ? 399 ASN B CG 1 ATOM 5527 O OD1 . ASN B 1 319 ? -24.517 60.874 25.552 1.00 16.69 ? 399 ASN B OD1 1 ATOM 5528 N ND2 . ASN B 1 319 ? -24.406 63.062 25.071 1.00 17.70 ? 399 ASN B ND2 1 ATOM 5529 N N . ASN B 1 320 ? -21.967 58.782 24.761 1.00 12.13 ? 400 ASN B N 1 ATOM 5530 C CA . ASN B 1 320 ? -21.771 57.572 25.552 1.00 13.15 ? 400 ASN B CA 1 ATOM 5531 C C . ASN B 1 320 ? -22.511 57.589 26.890 1.00 13.99 ? 400 ASN B C 1 ATOM 5532 O O . ASN B 1 320 ? -22.386 56.662 27.688 1.00 17.31 ? 400 ASN B O 1 ATOM 5533 C CB . ASN B 1 320 ? -20.278 57.313 25.776 1.00 14.66 ? 400 ASN B CB 1 ATOM 5534 C CG . ASN B 1 320 ? -19.979 55.856 26.097 1.00 17.12 ? 400 ASN B CG 1 ATOM 5535 O OD1 . ASN B 1 320 ? -20.704 54.956 25.673 1.00 17.35 ? 400 ASN B OD1 1 ATOM 5536 N ND2 . ASN B 1 320 ? -18.899 55.617 26.836 1.00 18.50 ? 400 ASN B ND2 1 ATOM 5537 N N . LYS B 1 321 ? -23.286 58.640 27.131 1.00 13.29 ? 401 LYS B N 1 ATOM 5538 C CA . LYS B 1 321 ? -24.114 58.698 28.327 1.00 13.47 ? 401 LYS B CA 1 ATOM 5539 C C . LYS B 1 321 ? -25.508 58.156 28.042 1.00 11.77 ? 401 LYS B C 1 ATOM 5540 O O . LYS B 1 321 ? -26.378 58.199 28.905 1.00 14.01 ? 401 LYS B O 1 ATOM 5541 C CB . LYS B 1 321 ? -24.202 60.130 28.852 1.00 19.03 ? 401 LYS B CB 1 ATOM 5542 C CG . LYS B 1 321 ? -22.838 60.779 29.016 1.00 25.58 ? 401 LYS B CG 1 ATOM 5543 C CD . LYS B 1 321 ? -22.562 61.193 30.452 1.00 32.39 ? 401 LYS B CD 1 ATOM 5544 C CE . LYS B 1 321 ? -23.125 62.573 30.750 1.00 37.04 ? 401 LYS B CE 1 ATOM 5545 N NZ . LYS B 1 321 ? -22.554 63.144 32.010 1.00 39.75 ? 401 LYS B NZ 1 ATOM 5546 N N . ASN B 1 322 ? -25.713 57.645 26.832 1.00 9.76 ? 402 ASN B N 1 ATOM 5547 C CA . ASN B 1 322 ? -27.035 57.188 26.413 1.00 10.19 ? 402 ASN B CA 1 ATOM 5548 C C . ASN B 1 322 ? -27.019 55.814 25.761 1.00 10.22 ? 402 ASN B C 1 ATOM 5549 O O . ASN B 1 322 ? -26.058 55.450 25.098 1.00 10.39 ? 402 ASN B O 1 ATOM 5550 C CB . ASN B 1 322 ? -27.664 58.214 25.475 1.00 10.15 ? 402 ASN B CB 1 ATOM 5551 C CG . ASN B 1 322 ? -28.076 59.465 26.201 1.00 12.64 ? 402 ASN B CG 1 ATOM 5552 O OD1 . ASN B 1 322 ? -29.105 59.484 26.871 1.00 14.47 ? 402 ASN B OD1 1 ATOM 5553 N ND2 . ASN B 1 322 ? -27.271 60.515 26.089 1.00 14.48 ? 402 ASN B ND2 1 ATOM 5554 N N . TRP B 1 323 ? -28.100 55.064 25.950 1.00 10.01 ? 403 TRP B N 1 ATOM 5555 C CA . TRP B 1 323 ? -28.182 53.689 25.472 1.00 9.76 ? 403 TRP B CA 1 ATOM 5556 C C . TRP B 1 323 ? -28.431 53.599 23.975 1.00 10.08 ? 403 TRP B C 1 ATOM 5557 O O . TRP B 1 323 ? -29.289 54.301 23.435 1.00 10.06 ? 403 TRP B O 1 ATOM 5558 C CB . TRP B 1 323 ? -29.279 52.937 26.228 1.00 10.32 ? 403 TRP B CB 1 ATOM 5559 C CG . TRP B 1 323 ? -29.041 52.942 27.698 1.00 11.04 ? 403 TRP B CG 1 ATOM 5560 C CD1 . TRP B 1 323 ? -29.807 53.542 28.653 1.00 10.87 ? 403 TRP B CD1 1 ATOM 5561 C CD2 . TRP B 1 323 ? -27.936 52.342 28.385 1.00 12.96 ? 403 TRP B CD2 1 ATOM 5562 N NE1 . TRP B 1 323 ? -29.253 53.341 29.898 1.00 12.41 ? 403 TRP B NE1 1 ATOM 5563 C CE2 . TRP B 1 323 ? -28.104 52.605 29.758 1.00 12.95 ? 403 TRP B CE2 1 ATOM 5564 C CE3 . TRP B 1 323 ? -26.825 51.598 27.970 1.00 13.85 ? 403 TRP B CE3 1 ATOM 5565 C CZ2 . TRP B 1 323 ? -27.202 52.154 30.719 1.00 15.06 ? 403 TRP B CZ2 1 ATOM 5566 C CZ3 . TRP B 1 323 ? -25.929 51.152 28.925 1.00 13.96 ? 403 TRP B CZ3 1 ATOM 5567 C CH2 . TRP B 1 323 ? -26.124 51.430 30.285 1.00 14.52 ? 403 TRP B CH2 1 ATOM 5568 N N . SER B 1 324 ? -27.667 52.731 23.316 1.00 8.59 ? 404 SER B N 1 ATOM 5569 C CA . SER B 1 324 ? -27.885 52.420 21.910 1.00 8.65 ? 404 SER B CA 1 ATOM 5570 C C . SER B 1 324 ? -28.383 50.982 21.773 1.00 8.14 ? 404 SER B C 1 ATOM 5571 O O . SER B 1 324 ? -29.240 50.551 22.540 1.00 8.72 ? 404 SER B O 1 ATOM 5572 C CB . SER B 1 324 ? -26.619 52.680 21.075 1.00 8.42 ? 404 SER B CB 1 ATOM 5573 O OG . SER B 1 324 ? -25.478 52.013 21.601 1.00 8.12 ? 404 SER B OG 1 ATOM 5574 N N . GLY B 1 325 ? -27.855 50.246 20.800 1.00 7.75 ? 405 GLY B N 1 ATOM 5575 C CA . GLY B 1 325 ? -28.371 48.928 20.476 1.00 8.53 ? 405 GLY B CA 1 ATOM 5576 C C . GLY B 1 325 ? -28.016 48.570 19.047 1.00 7.74 ? 405 GLY B C 1 ATOM 5577 O O . GLY B 1 325 ? -26.940 48.926 18.566 1.00 9.12 ? 405 GLY B O 1 ATOM 5578 N N . TYR B 1 326 ? -28.923 47.871 18.371 1.00 7.02 ? 406 TYR B N 1 ATOM 5579 C CA . TYR B 1 326 ? -28.727 47.468 16.988 1.00 7.43 ? 406 TYR B CA 1 ATOM 5580 C C . TYR B 1 326 ? -28.587 48.665 16.052 1.00 7.81 ? 406 TYR B C 1 ATOM 5581 O O . TYR B 1 326 ? -29.030 49.768 16.359 1.00 9.24 ? 406 TYR B O 1 ATOM 5582 C CB . TYR B 1 326 ? -29.903 46.592 16.535 1.00 7.00 ? 406 TYR B CB 1 ATOM 5583 C CG . TYR B 1 326 ? -29.815 45.159 17.007 1.00 8.20 ? 406 TYR B CG 1 ATOM 5584 C CD1 . TYR B 1 326 ? -28.918 44.788 18.003 1.00 8.29 ? 406 TYR B CD1 1 ATOM 5585 C CD2 . TYR B 1 326 ? -30.622 44.173 16.450 1.00 9.13 ? 406 TYR B CD2 1 ATOM 5586 C CE1 . TYR B 1 326 ? -28.826 43.475 18.430 1.00 8.21 ? 406 TYR B CE1 1 ATOM 5587 C CE2 . TYR B 1 326 ? -30.535 42.858 16.868 1.00 9.53 ? 406 TYR B CE2 1 ATOM 5588 C CZ . TYR B 1 326 ? -29.632 42.517 17.857 1.00 10.20 ? 406 TYR B CZ 1 ATOM 5589 O OH . TYR B 1 326 ? -29.535 41.213 18.281 1.00 10.75 ? 406 TYR B OH 1 ATOM 5590 N N . SER B 1 327 ? -27.942 48.442 14.915 1.00 8.23 ? 407 SER B N 1 ATOM 5591 C CA . SER B 1 327 ? -27.940 49.418 13.828 1.00 7.43 ? 407 SER B CA 1 ATOM 5592 C C . SER B 1 327 ? -27.934 48.634 12.525 1.00 8.20 ? 407 SER B C 1 ATOM 5593 O O . SER B 1 327 ? -27.490 47.481 12.494 1.00 8.41 ? 407 SER B O 1 ATOM 5594 C CB . SER B 1 327 ? -26.736 50.368 13.922 1.00 8.85 ? 407 SER B CB 1 ATOM 5595 O OG . SER B 1 327 ? -25.508 49.659 13.994 1.00 7.93 ? 407 SER B OG 1 ATOM 5596 N N . GLY B 1 328 ? -28.439 49.233 11.452 1.00 6.57 ? 408 GLY B N 1 ATOM 5597 C CA . GLY B 1 328 ? -28.555 48.505 10.205 1.00 6.81 ? 408 GLY B CA 1 ATOM 5598 C C . GLY B 1 328 ? -28.549 49.379 8.974 1.00 8.38 ? 408 GLY B C 1 ATOM 5599 O O . GLY B 1 328 ? -28.825 50.576 9.051 1.00 9.57 ? 408 GLY B O 1 ATOM 5600 N N . ALA B 1 329 ? -28.251 48.757 7.835 1.00 8.23 ? 409 ALA B N 1 ATOM 5601 C CA . ALA B 1 329 ? -28.120 49.446 6.558 1.00 8.98 ? 409 ALA B CA 1 ATOM 5602 C C . ALA B 1 329 ? -29.365 49.307 5.685 1.00 9.86 ? 409 ALA B C 1 ATOM 5603 O O . ALA B 1 329 ? -30.027 48.268 5.687 1.00 10.61 ? 409 ALA B O 1 ATOM 5604 C CB . ALA B 1 329 ? -26.918 48.889 5.806 1.00 8.80 ? 409 ALA B CB 1 ATOM 5605 N N . PHE B 1 330 ? -29.665 50.361 4.932 1.00 9.99 ? 410 PHE B N 1 ATOM 5606 C CA . PHE B 1 330 ? -30.621 50.287 3.832 1.00 9.04 ? 410 PHE B CA 1 ATOM 5607 C C . PHE B 1 330 ? -30.245 51.316 2.776 1.00 9.81 ? 410 PHE B C 1 ATOM 5608 O O . PHE B 1 330 ? -29.342 52.128 2.991 1.00 9.96 ? 410 PHE B O 1 ATOM 5609 C CB . PHE B 1 330 ? -32.077 50.461 4.305 1.00 9.34 ? 410 PHE B CB 1 ATOM 5610 C CG . PHE B 1 330 ? -32.399 51.830 4.857 1.00 9.95 ? 410 PHE B CG 1 ATOM 5611 C CD1 . PHE B 1 330 ? -32.005 52.187 6.138 1.00 9.55 ? 410 PHE B CD1 1 ATOM 5612 C CD2 . PHE B 1 330 ? -33.122 52.747 4.104 1.00 10.07 ? 410 PHE B CD2 1 ATOM 5613 C CE1 . PHE B 1 330 ? -32.318 53.434 6.656 1.00 9.52 ? 410 PHE B CE1 1 ATOM 5614 C CE2 . PHE B 1 330 ? -33.438 53.998 4.613 1.00 9.13 ? 410 PHE B CE2 1 ATOM 5615 C CZ . PHE B 1 330 ? -33.036 54.345 5.889 1.00 9.25 ? 410 PHE B CZ 1 ATOM 5616 N N . THR B 1 331 ? -30.911 51.263 1.629 1.00 9.84 ? 411 THR B N 1 ATOM 5617 C CA . THR B 1 331 ? -30.652 52.224 0.562 1.00 9.55 ? 411 THR B CA 1 ATOM 5618 C C . THR B 1 331 ? -31.937 52.859 0.061 1.00 10.89 ? 411 THR B C 1 ATOM 5619 O O . THR B 1 331 ? -33.016 52.276 0.181 1.00 12.12 ? 411 THR B O 1 ATOM 5620 C CB . THR B 1 331 ? -29.945 51.572 -0.639 1.00 11.44 ? 411 THR B CB 1 ATOM 5621 O OG1 . THR B 1 331 ? -30.713 50.451 -1.093 1.00 12.84 ? 411 THR B OG1 1 ATOM 5622 C CG2 . THR B 1 331 ? -28.552 51.111 -0.250 1.00 11.37 ? 411 THR B CG2 1 ATOM 5623 N N . ILE B 1 332 ? -31.810 54.053 -0.511 1.00 10.40 ? 412 ILE B N 1 ATOM 5624 C CA . ILE B 1 332 ? -32.928 54.710 -1.171 1.00 10.92 ? 412 ILE B CA 1 ATOM 5625 C C . ILE B 1 332 ? -32.795 54.519 -2.675 1.00 11.92 ? 412 ILE B C 1 ATOM 5626 O O . ILE B 1 332 ? -31.763 54.848 -3.252 1.00 12.79 ? 412 ILE B O 1 ATOM 5627 C CB . ILE B 1 332 ? -32.956 56.216 -0.870 1.00 14.16 ? 412 ILE B CB 1 ATOM 5628 C CG1 . ILE B 1 332 ? -32.904 56.457 0.638 1.00 16.79 ? 412 ILE B CG1 1 ATOM 5629 C CG2 . ILE B 1 332 ? -34.203 56.847 -1.466 1.00 15.57 ? 412 ILE B CG2 1 ATOM 5630 C CD1 . ILE B 1 332 ? -32.869 57.918 1.014 1.00 19.29 ? 412 ILE B CD1 1 ATOM 5631 N N . PRO B 1 333 ? -33.839 53.979 -3.314 1.00 13.52 ? 413 PRO B N 1 ATOM 5632 C CA . PRO B 1 333 ? -33.782 53.694 -4.753 1.00 13.65 ? 413 PRO B CA 1 ATOM 5633 C C . PRO B 1 333 ? -33.832 54.952 -5.625 1.00 15.45 ? 413 PRO B C 1 ATOM 5634 O O . PRO B 1 333 ? -34.252 56.017 -5.168 1.00 15.71 ? 413 PRO B O 1 ATOM 5635 C CB . PRO B 1 333 ? -35.028 52.836 -4.985 1.00 14.89 ? 413 PRO B CB 1 ATOM 5636 C CG . PRO B 1 333 ? -35.964 53.235 -3.891 1.00 15.21 ? 413 PRO B CG 1 ATOM 5637 C CD . PRO B 1 333 ? -35.086 53.490 -2.701 1.00 15.52 ? 413 PRO B CD 1 ATOM 5638 N N . ILE B 1 334 A -33.412 54.807 -6.878 1.00 17.62 ? 413 ILE B N 1 ATOM 5639 C CA . ILE B 1 334 A -33.338 55.919 -7.822 1.00 20.42 ? 413 ILE B CA 1 ATOM 5640 C C . ILE B 1 334 A -34.680 56.605 -8.058 1.00 20.95 ? 413 ILE B C 1 ATOM 5641 O O . ILE B 1 334 A -34.727 57.778 -8.430 1.00 20.22 ? 413 ILE B O 1 ATOM 5642 C CB . ILE B 1 334 A -32.789 55.447 -9.183 1.00 24.29 ? 413 ILE B CB 1 ATOM 5643 C CG1 . ILE B 1 334 A -31.400 54.835 -9.014 1.00 26.75 ? 413 ILE B CG1 1 ATOM 5644 C CG2 . ILE B 1 334 A -32.764 56.596 -10.180 1.00 27.92 ? 413 ILE B CG2 1 ATOM 5645 C CD1 . ILE B 1 334 A -30.426 55.720 -8.280 1.00 28.05 ? 413 ILE B CD1 1 ATOM 5646 N N . THR B 1 335 B -35.767 55.873 -7.849 1.00 22.48 ? 413 THR B N 1 ATOM 5647 C CA . THR B 1 335 B -37.104 56.408 -8.092 1.00 23.68 ? 413 THR B CA 1 ATOM 5648 C C . THR B 1 335 B -37.462 57.537 -7.131 1.00 24.74 ? 413 THR B C 1 ATOM 5649 O O . THR B 1 335 B -38.321 58.366 -7.433 1.00 26.77 ? 413 THR B O 1 ATOM 5650 C CB . THR B 1 335 B -38.168 55.308 -7.986 1.00 25.21 ? 413 THR B CB 1 ATOM 5651 O OG1 . THR B 1 335 B -38.019 54.623 -6.737 1.00 26.42 ? 413 THR B OG1 1 ATOM 5652 C CG2 . THR B 1 335 B -38.006 54.311 -9.116 1.00 25.69 ? 413 THR B CG2 1 ATOM 5653 N N . MET B 1 336 C -36.806 57.571 -5.975 1.00 23.48 ? 413 MET B N 1 ATOM 5654 C CA . MET B 1 336 C -37.081 58.604 -4.985 1.00 25.30 ? 413 MET B CA 1 ATOM 5655 C C . MET B 1 336 C -36.085 59.756 -5.052 1.00 24.79 ? 413 MET B C 1 ATOM 5656 O O . MET B 1 336 C -36.370 60.855 -4.578 1.00 26.45 ? 413 MET B O 1 ATOM 5657 C CB . MET B 1 336 C -37.062 58.022 -3.568 1.00 28.75 ? 413 MET B CB 1 ATOM 5658 C CG . MET B 1 336 C -37.682 56.646 -3.427 1.00 34.08 ? 413 MET B CG 1 ATOM 5659 S SD . MET B 1 336 C -38.145 56.309 -1.716 1.00 38.49 ? 413 MET B SD 1 ATOM 5660 C CE . MET B 1 336 C -39.589 57.355 -1.600 1.00 38.94 ? 413 MET B CE 1 ATOM 5661 N N . THR B 1 337 D -34.914 59.505 -5.631 1.00 22.52 ? 413 THR B N 1 ATOM 5662 C CA . THR B 1 337 D -33.825 60.476 -5.578 1.00 20.96 ? 413 THR B CA 1 ATOM 5663 C C . THR B 1 337 D -33.504 61.109 -6.929 1.00 22.60 ? 413 THR B C 1 ATOM 5664 O O . THR B 1 337 D -32.946 62.207 -6.990 1.00 22.96 ? 413 THR B O 1 ATOM 5665 C CB . THR B 1 337 D -32.534 59.817 -5.063 1.00 18.13 ? 413 THR B CB 1 ATOM 5666 O OG1 . THR B 1 337 D -32.065 58.879 -6.038 1.00 16.39 ? 413 THR B OG1 1 ATOM 5667 C CG2 . THR B 1 337 D -32.785 59.093 -3.749 1.00 18.99 ? 413 THR B CG2 1 ATOM 5668 N N . SER B 1 338 ? -33.845 60.405 -8.005 1.00 22.95 ? 414 SER B N 1 ATOM 5669 C CA . SER B 1 338 ? -33.444 60.798 -9.355 1.00 25.28 ? 414 SER B CA 1 ATOM 5670 C C . SER B 1 338 ? -31.925 60.832 -9.533 1.00 25.76 ? 414 SER B C 1 ATOM 5671 O O . SER B 1 338 ? -31.413 61.493 -10.436 1.00 27.05 ? 414 SER B O 1 ATOM 5672 C CB . SER B 1 338 ? -34.053 62.147 -9.741 1.00 28.21 ? 414 SER B CB 1 ATOM 5673 O OG . SER B 1 338 ? -35.466 62.068 -9.766 1.00 30.55 ? 414 SER B OG 1 ATOM 5674 N N . LYS B 1 339 ? -31.203 60.119 -8.674 1.00 23.74 ? 415 LYS B N 1 ATOM 5675 C CA . LYS B 1 339 ? -29.752 60.039 -8.803 1.00 22.39 ? 415 LYS B CA 1 ATOM 5676 C C . LYS B 1 339 ? -29.375 58.863 -9.692 1.00 21.71 ? 415 LYS B C 1 ATOM 5677 O O . LYS B 1 339 ? -30.243 58.118 -10.140 1.00 21.83 ? 415 LYS B O 1 ATOM 5678 C CB . LYS B 1 339 ? -29.083 59.907 -7.434 1.00 22.74 ? 415 LYS B CB 1 ATOM 5679 C CG . LYS B 1 339 ? -29.477 60.992 -6.443 1.00 26.48 ? 415 LYS B CG 1 ATOM 5680 C CD . LYS B 1 339 ? -28.598 60.972 -5.199 1.00 30.09 ? 415 LYS B CD 1 ATOM 5681 C CE . LYS B 1 339 ? -27.281 61.691 -5.451 1.00 34.10 ? 415 LYS B CE 1 ATOM 5682 N NZ . LYS B 1 339 ? -26.363 61.615 -4.284 1.00 37.45 ? 415 LYS B NZ 1 ATOM 5683 N N . GLN B 1 340 ? -28.080 58.707 -9.950 1.00 21.45 ? 416 GLN B N 1 ATOM 5684 C CA . GLN B 1 340 ? -27.576 57.585 -10.732 1.00 22.38 ? 416 GLN B CA 1 ATOM 5685 C C . GLN B 1 340 ? -26.930 56.555 -9.810 1.00 19.35 ? 416 GLN B C 1 ATOM 5686 O O . GLN B 1 340 ? -26.334 55.582 -10.269 1.00 20.94 ? 416 GLN B O 1 ATOM 5687 C CB . GLN B 1 340 ? -26.553 58.069 -11.762 1.00 26.96 ? 416 GLN B CB 1 ATOM 5688 C CG . GLN B 1 340 ? -27.016 59.258 -12.580 1.00 33.03 ? 416 GLN B CG 1 ATOM 5689 C CD . GLN B 1 340 ? -28.183 58.921 -13.478 1.00 38.51 ? 416 GLN B CD 1 ATOM 5690 O OE1 . GLN B 1 340 ? -28.150 57.931 -14.211 1.00 41.73 ? 416 GLN B OE1 1 ATOM 5691 N NE2 . GLN B 1 340 ? -29.224 59.745 -13.433 1.00 39.61 ? 416 GLN B NE2 1 ATOM 5692 N N . CYS B 1 341 ? -27.047 56.783 -8.506 1.00 15.05 ? 417 CYS B N 1 ATOM 5693 C CA . CYS B 1 341 ? -26.462 55.884 -7.520 1.00 15.28 ? 417 CYS B CA 1 ATOM 5694 C C . CYS B 1 341 ? -27.423 55.689 -6.356 1.00 13.59 ? 417 CYS B C 1 ATOM 5695 O O . CYS B 1 341 ? -28.343 56.480 -6.162 1.00 14.72 ? 417 CYS B O 1 ATOM 5696 C CB . CYS B 1 341 ? -25.111 56.417 -7.023 1.00 17.77 ? 417 CYS B CB 1 ATOM 5697 S SG . CYS B 1 341 ? -25.155 58.057 -6.240 1.00 21.67 ? 417 CYS B SG 1 ATOM 5698 N N . LEU B 1 342 ? -27.206 54.626 -5.590 1.00 11.46 ? 418 LEU B N 1 ATOM 5699 C CA . LEU B 1 342 ? -28.076 54.288 -4.471 1.00 11.47 ? 418 LEU B CA 1 ATOM 5700 C C . LEU B 1 342 ? -27.582 54.962 -3.196 1.00 11.54 ? 418 LEU B C 1 ATOM 5701 O O . LEU B 1 342 ? -26.422 54.809 -2.814 1.00 13.01 ? 418 LEU B O 1 ATOM 5702 C CB . LEU B 1 342 ? -28.110 52.773 -4.288 1.00 12.47 ? 418 LEU B CB 1 ATOM 5703 C CG . LEU B 1 342 ? -28.446 51.995 -5.564 1.00 14.11 ? 418 LEU B CG 1 ATOM 5704 C CD1 . LEU B 1 342 ? -28.316 50.491 -5.353 1.00 14.20 ? 418 LEU B CD1 1 ATOM 5705 C CD2 . LEU B 1 342 ? -29.834 52.355 -6.083 1.00 17.10 ? 418 LEU B CD2 1 ATOM 5706 N N . VAL B 1 343 ? -28.462 55.709 -2.538 1.00 11.41 ? 419 VAL B N 1 ATOM 5707 C CA . VAL B 1 343 ? -28.076 56.434 -1.332 1.00 11.07 ? 419 VAL B CA 1 ATOM 5708 C C . VAL B 1 343 ? -28.027 55.512 -0.122 1.00 11.34 ? 419 VAL B C 1 ATOM 5709 O O . VAL B 1 343 ? -29.021 54.861 0.203 1.00 11.00 ? 419 VAL B O 1 ATOM 5710 C CB . VAL B 1 343 ? -29.047 57.588 -1.039 1.00 12.52 ? 419 VAL B CB 1 ATOM 5711 C CG1 . VAL B 1 343 ? -28.685 58.270 0.276 1.00 12.27 ? 419 VAL B CG1 1 ATOM 5712 C CG2 . VAL B 1 343 ? -29.029 58.590 -2.181 1.00 13.39 ? 419 VAL B CG2 1 ATOM 5713 N N . PRO B 1 344 ? -26.866 55.450 0.549 1.00 10.19 ? 420 PRO B N 1 ATOM 5714 C CA . PRO B 1 344 ? -26.734 54.630 1.759 1.00 10.63 ? 420 PRO B CA 1 ATOM 5715 C C . PRO B 1 344 ? -27.319 55.328 2.981 1.00 10.25 ? 420 PRO B C 1 ATOM 5716 O O . PRO B 1 344 ? -27.006 56.498 3.213 1.00 10.85 ? 420 PRO B O 1 ATOM 5717 C CB . PRO B 1 344 ? -25.217 54.499 1.921 1.00 10.38 ? 420 PRO B CB 1 ATOM 5718 C CG . PRO B 1 344 ? -24.675 55.773 1.322 1.00 10.83 ? 420 PRO B CG 1 ATOM 5719 C CD . PRO B 1 344 ? -25.594 56.097 0.168 1.00 10.48 ? 420 PRO B CD 1 ATOM 5720 N N . CYS B 1 345 ? -28.149 54.618 3.742 1.00 9.19 ? 421 CYS B N 1 ATOM 5721 C CA . CYS B 1 345 ? -28.715 55.139 4.982 1.00 8.87 ? 421 CYS B CA 1 ATOM 5722 C C . CYS B 1 345 ? -28.541 54.105 6.080 1.00 7.73 ? 421 CYS B C 1 ATOM 5723 O O . CYS B 1 345 ? -28.361 52.917 5.805 1.00 8.97 ? 421 CYS B O 1 ATOM 5724 C CB . CYS B 1 345 ? -30.211 55.429 4.825 1.00 10.13 ? 421 CYS B CB 1 ATOM 5725 S SG . CYS B 1 345 ? -30.655 56.552 3.492 1.00 12.20 ? 421 CYS B SG 1 ATOM 5726 N N . PHE B 1 346 ? -28.598 54.545 7.330 1.00 7.28 ? 422 PHE B N 1 ATOM 5727 C CA . PHE B 1 346 ? -28.618 53.595 8.438 1.00 7.85 ? 422 PHE B CA 1 ATOM 5728 C C . PHE B 1 346 ? -29.633 54.018 9.483 1.00 9.08 ? 422 PHE B C 1 ATOM 5729 O O . PHE B 1 346 ? -30.043 55.181 9.538 1.00 9.83 ? 422 PHE B O 1 ATOM 5730 C CB . PHE B 1 346 ? -27.223 53.410 9.059 1.00 9.27 ? 422 PHE B CB 1 ATOM 5731 C CG . PHE B 1 346 ? -26.743 54.585 9.869 1.00 9.43 ? 422 PHE B CG 1 ATOM 5732 C CD1 . PHE B 1 346 ? -26.033 55.618 9.271 1.00 9.46 ? 422 PHE B CD1 1 ATOM 5733 C CD2 . PHE B 1 346 ? -26.980 54.645 11.234 1.00 9.08 ? 422 PHE B CD2 1 ATOM 5734 C CE1 . PHE B 1 346 ? -25.576 56.698 10.023 1.00 9.60 ? 422 PHE B CE1 1 ATOM 5735 C CE2 . PHE B 1 346 ? -26.534 55.717 11.987 1.00 8.61 ? 422 PHE B CE2 1 ATOM 5736 C CZ . PHE B 1 346 ? -25.829 56.749 11.381 1.00 8.33 ? 422 PHE B CZ 1 ATOM 5737 N N . TRP B 1 347 ? -30.066 53.055 10.285 1.00 7.91 ? 423 TRP B N 1 ATOM 5738 C CA . TRP B 1 347 ? -30.898 53.349 11.436 1.00 7.42 ? 423 TRP B CA 1 ATOM 5739 C C . TRP B 1 347 ? -30.162 52.897 12.687 1.00 8.53 ? 423 TRP B C 1 ATOM 5740 O O . TRP B 1 347 ? -29.259 52.050 12.626 1.00 8.14 ? 423 TRP B O 1 ATOM 5741 C CB . TRP B 1 347 ? -32.265 52.661 11.321 1.00 7.92 ? 423 TRP B CB 1 ATOM 5742 C CG . TRP B 1 347 ? -32.148 51.212 10.972 1.00 8.33 ? 423 TRP B CG 1 ATOM 5743 C CD1 . TRP B 1 347 ? -32.231 50.658 9.725 1.00 7.85 ? 423 TRP B CD1 1 ATOM 5744 C CD2 . TRP B 1 347 ? -31.878 50.134 11.874 1.00 7.59 ? 423 TRP B CD2 1 ATOM 5745 N NE1 . TRP B 1 347 ? -32.044 49.297 9.799 1.00 8.69 ? 423 TRP B NE1 1 ATOM 5746 C CE2 . TRP B 1 347 ? -31.828 48.951 11.109 1.00 7.96 ? 423 TRP B CE2 1 ATOM 5747 C CE3 . TRP B 1 347 ? -31.688 50.050 13.260 1.00 7.21 ? 423 TRP B CE3 1 ATOM 5748 C CZ2 . TRP B 1 347 ? -31.590 47.706 11.678 1.00 7.36 ? 423 TRP B CZ2 1 ATOM 5749 C CZ3 . TRP B 1 347 ? -31.446 48.814 13.821 1.00 8.08 ? 423 TRP B CZ3 1 ATOM 5750 C CH2 . TRP B 1 347 ? -31.397 47.658 13.033 1.00 7.97 ? 423 TRP B CH2 1 ATOM 5751 N N . LEU B 1 348 ? -30.550 53.479 13.817 1.00 7.44 ? 424 LEU B N 1 ATOM 5752 C CA . LEU B 1 348 ? -29.965 53.155 15.103 1.00 7.24 ? 424 LEU B CA 1 ATOM 5753 C C . LEU B 1 348 ? -31.084 52.830 16.074 1.00 7.86 ? 424 LEU B C 1 ATOM 5754 O O . LEU B 1 348 ? -32.043 53.592 16.193 1.00 9.34 ? 424 LEU B O 1 ATOM 5755 C CB . LEU B 1 348 ? -29.162 54.345 15.631 1.00 7.64 ? 424 LEU B CB 1 ATOM 5756 C CG . LEU B 1 348 ? -28.619 54.218 17.056 1.00 7.66 ? 424 LEU B CG 1 ATOM 5757 C CD1 . LEU B 1 348 ? -27.611 53.077 17.137 1.00 9.59 ? 424 LEU B CD1 1 ATOM 5758 C CD2 . LEU B 1 348 ? -27.997 55.537 17.530 1.00 9.96 ? 424 LEU B CD2 1 ATOM 5759 N N . GLU B 1 349 ? -30.951 51.696 16.755 1.00 7.43 ? 425 GLU B N 1 ATOM 5760 C CA . GLU B 1 349 ? -31.876 51.293 17.801 1.00 7.80 ? 425 GLU B CA 1 ATOM 5761 C C . GLU B 1 349 ? -31.353 51.740 19.158 1.00 7.51 ? 425 GLU B C 1 ATOM 5762 O O . GLU B 1 349 ? -30.180 51.538 19.479 1.00 9.78 ? 425 GLU B O 1 ATOM 5763 C CB . GLU B 1 349 ? -32.040 49.773 17.806 1.00 8.28 ? 425 GLU B CB 1 ATOM 5764 C CG . GLU B 1 349 ? -32.941 49.273 18.923 1.00 7.35 ? 425 GLU B CG 1 ATOM 5765 C CD . GLU B 1 349 ? -32.859 47.771 19.134 1.00 8.69 ? 425 GLU B CD 1 ATOM 5766 O OE1 . GLU B 1 349 ? -31.747 47.200 19.028 1.00 9.09 ? 425 GLU B OE1 1 ATOM 5767 O OE2 . GLU B 1 349 ? -33.913 47.165 19.426 1.00 7.94 ? 425 GLU B OE2 1 ATOM 5768 N N . MET B 1 350 ? -32.226 52.345 19.957 1.00 6.52 ? 426 MET B N 1 ATOM 5769 C CA . MET B 1 350 ? -31.847 52.796 21.289 1.00 6.57 ? 426 MET B CA 1 ATOM 5770 C C . MET B 1 350 ? -32.688 52.052 22.319 1.00 7.66 ? 426 MET B C 1 ATOM 5771 O O . MET B 1 350 ? -33.886 52.305 22.467 1.00 8.11 ? 426 MET B O 1 ATOM 5772 C CB . MET B 1 350 ? -31.991 54.318 21.397 1.00 7.67 ? 426 MET B CB 1 ATOM 5773 C CG . MET B 1 350 ? -31.022 55.037 20.452 1.00 8.57 ? 426 MET B CG 1 ATOM 5774 S SD . MET B 1 350 ? -31.136 56.829 20.424 1.00 10.42 ? 426 MET B SD 1 ATOM 5775 C CE . MET B 1 350 ? -32.731 57.056 19.643 1.00 9.69 ? 426 MET B CE 1 ATOM 5776 N N . ILE B 1 351 ? -32.046 51.108 23.002 1.00 7.41 ? 427 ILE B N 1 ATOM 5777 C CA . ILE B 1 351 ? -32.729 50.191 23.903 1.00 7.43 ? 427 ILE B CA 1 ATOM 5778 C C . ILE B 1 351 ? -32.897 50.779 25.299 1.00 7.47 ? 427 ILE B C 1 ATOM 5779 O O . ILE B 1 351 ? -31.942 51.291 25.883 1.00 8.88 ? 427 ILE B O 1 ATOM 5780 C CB . ILE B 1 351 ? -31.963 48.853 24.011 1.00 7.11 ? 427 ILE B CB 1 ATOM 5781 C CG1 . ILE B 1 351 ? -31.797 48.215 22.624 1.00 7.39 ? 427 ILE B CG1 1 ATOM 5782 C CG2 . ILE B 1 351 ? -32.690 47.912 24.963 1.00 8.80 ? 427 ILE B CG2 1 ATOM 5783 C CD1 . ILE B 1 351 ? -30.851 47.022 22.609 1.00 8.18 ? 427 ILE B CD1 1 ATOM 5784 N N . ARG B 1 352 ? -34.114 50.704 25.831 1.00 7.00 ? 428 ARG B N 1 ATOM 5785 C CA . ARG B 1 352 ? -34.378 51.128 27.203 1.00 7.11 ? 428 ARG B CA 1 ATOM 5786 C C . ARG B 1 352 ? -34.926 49.956 28.011 1.00 7.30 ? 428 ARG B C 1 ATOM 5787 O O . ARG B 1 352 ? -35.561 49.053 27.458 1.00 8.74 ? 428 ARG B O 1 ATOM 5788 C CB . ARG B 1 352 ? -35.373 52.289 27.229 1.00 6.61 ? 428 ARG B CB 1 ATOM 5789 C CG . ARG B 1 352 ? -34.936 53.494 26.409 1.00 6.44 ? 428 ARG B CG 1 ATOM 5790 C CD . ARG B 1 352 ? -33.585 54.053 26.866 1.00 8.67 ? 428 ARG B CD 1 ATOM 5791 N NE . ARG B 1 352 ? -33.568 54.383 28.290 1.00 9.09 ? 428 ARG B NE 1 ATOM 5792 C CZ . ARG B 1 352 ? -34.035 55.522 28.794 1.00 9.85 ? 428 ARG B CZ 1 ATOM 5793 N NH1 . ARG B 1 352 ? -34.572 56.435 27.989 1.00 10.13 ? 428 ARG B NH1 1 ATOM 5794 N NH2 . ARG B 1 352 ? -33.982 55.748 30.101 1.00 10.33 ? 428 ARG B NH2 1 ATOM 5795 N N . GLY B 1 353 ? -34.687 49.974 29.319 1.00 7.68 ? 429 GLY B N 1 ATOM 5796 C CA . GLY B 1 353 ? -35.151 48.903 30.180 1.00 7.99 ? 429 GLY B CA 1 ATOM 5797 C C . GLY B 1 353 ? -34.076 47.858 30.421 1.00 8.49 ? 429 GLY B C 1 ATOM 5798 O O . GLY B 1 353 ? -32.887 48.179 30.471 1.00 9.61 ? 429 GLY B O 1 ATOM 5799 N N . LYS B 1 354 ? -34.486 46.605 30.579 1.00 9.49 ? 430 LYS B N 1 ATOM 5800 C CA . LYS B 1 354 ? -33.529 45.537 30.867 1.00 10.07 ? 430 LYS B CA 1 ATOM 5801 C C . LYS B 1 354 ? -32.640 45.262 29.654 1.00 10.77 ? 430 LYS B C 1 ATOM 5802 O O . LYS B 1 354 ? -33.063 45.445 28.514 1.00 11.06 ? 430 LYS B O 1 ATOM 5803 C CB . LYS B 1 354 ? -34.253 44.258 31.300 1.00 11.64 ? 430 LYS B CB 1 ATOM 5804 C CG . LYS B 1 354 ? -35.069 44.391 32.582 1.00 12.76 ? 430 LYS B CG 1 ATOM 5805 C CD . LYS B 1 354 ? -35.363 43.015 33.170 1.00 15.71 ? 430 LYS B CD 1 ATOM 5806 C CE . LYS B 1 354 ? -36.300 43.091 34.372 1.00 16.53 ? 430 LYS B CE 1 ATOM 5807 N NZ . LYS B 1 354 ? -35.726 43.888 35.493 1.00 18.19 ? 430 LYS B NZ 1 ATOM 5808 N N . PRO B 1 355 ? -31.403 44.806 29.893 1.00 11.18 ? 431 PRO B N 1 ATOM 5809 C CA . PRO B 1 355 ? -30.823 44.498 31.206 1.00 11.50 ? 431 PRO B CA 1 ATOM 5810 C C . PRO B 1 355 ? -30.111 45.664 31.892 1.00 12.95 ? 431 PRO B C 1 ATOM 5811 O O . PRO B 1 355 ? -29.824 45.560 33.084 1.00 15.12 ? 431 PRO B O 1 ATOM 5812 C CB . PRO B 1 355 ? -29.799 43.416 30.864 1.00 12.28 ? 431 PRO B CB 1 ATOM 5813 C CG . PRO B 1 355 ? -29.304 43.817 29.512 1.00 12.16 ? 431 PRO B CG 1 ATOM 5814 C CD . PRO B 1 355 ? -30.524 44.369 28.792 1.00 11.22 ? 431 PRO B CD 1 ATOM 5815 N N . GLU B 1 356 ? -29.817 46.740 31.171 1.00 12.40 ? 432 GLU B N 1 ATOM 5816 C CA . GLU B 1 356 ? -29.025 47.836 31.742 1.00 12.18 ? 432 GLU B CA 1 ATOM 5817 C C . GLU B 1 356 ? -29.772 48.628 32.812 1.00 12.55 ? 432 GLU B C 1 ATOM 5818 O O . GLU B 1 356 ? -29.165 49.139 33.754 1.00 15.13 ? 432 GLU B O 1 ATOM 5819 C CB . GLU B 1 356 ? -28.545 48.795 30.647 1.00 14.19 ? 432 GLU B CB 1 ATOM 5820 C CG . GLU B 1 356 ? -27.565 48.189 29.657 1.00 16.76 ? 432 GLU B CG 1 ATOM 5821 C CD . GLU B 1 356 ? -26.181 47.973 30.244 1.00 20.02 ? 432 GLU B CD 1 ATOM 5822 O OE1 . GLU B 1 356 ? -25.986 48.267 31.443 1.00 21.01 ? 432 GLU B OE1 1 ATOM 5823 O OE2 . GLU B 1 356 ? -25.287 47.513 29.501 1.00 20.52 ? 432 GLU B OE2 1 ATOM 5824 N N . GLU B 1 357 ? -31.082 48.755 32.647 1.00 12.22 ? 433 GLU B N 1 ATOM 5825 C CA . GLU B 1 357 ? -31.894 49.524 33.579 1.00 12.48 ? 433 GLU B CA 1 ATOM 5826 C C . GLU B 1 357 ? -32.797 48.578 34.358 1.00 14.28 ? 433 GLU B C 1 ATOM 5827 O O . GLU B 1 357 ? -33.955 48.348 33.998 1.00 15.95 ? 433 GLU B O 1 ATOM 5828 C CB . GLU B 1 357 ? -32.680 50.599 32.828 1.00 12.04 ? 433 GLU B CB 1 ATOM 5829 C CG . GLU B 1 357 ? -31.747 51.570 32.097 1.00 11.53 ? 433 GLU B CG 1 ATOM 5830 C CD . GLU B 1 357 ? -32.479 52.537 31.195 1.00 12.37 ? 433 GLU B CD 1 ATOM 5831 O OE1 . GLU B 1 357 ? -32.815 52.150 30.058 1.00 11.22 ? 433 GLU B OE1 1 ATOM 5832 O OE2 . GLU B 1 357 ? -32.707 53.691 31.616 1.00 14.64 ? 433 GLU B OE2 1 ATOM 5833 N N . ARG B 1 358 ? -32.239 48.026 35.432 1.00 15.35 ? 434 ARG B N 1 ATOM 5834 C CA . ARG B 1 358 ? -32.854 46.906 36.131 1.00 17.74 ? 434 ARG B CA 1 ATOM 5835 C C . ARG B 1 358 ? -34.107 47.253 36.920 1.00 17.98 ? 434 ARG B C 1 ATOM 5836 O O . ARG B 1 358 ? -34.854 46.359 37.304 1.00 19.54 ? 434 ARG B O 1 ATOM 5837 C CB . ARG B 1 358 ? -31.835 46.222 37.040 1.00 24.53 ? 434 ARG B CB 1 ATOM 5838 C CG . ARG B 1 358 ? -31.021 45.153 36.338 1.00 32.16 ? 434 ARG B CG 1 ATOM 5839 C CD . ARG B 1 358 ? -29.719 44.917 37.071 1.00 38.29 ? 434 ARG B CD 1 ATOM 5840 N NE . ARG B 1 358 ? -28.902 46.124 37.054 1.00 43.40 ? 434 ARG B NE 1 ATOM 5841 C CZ . ARG B 1 358 ? -27.879 46.350 37.869 1.00 46.78 ? 434 ARG B CZ 1 ATOM 5842 N NH1 . ARG B 1 358 ? -27.543 45.447 38.783 1.00 47.95 ? 434 ARG B NH1 1 ATOM 5843 N NH2 . ARG B 1 358 ? -27.195 47.483 37.774 1.00 47.67 ? 434 ARG B NH2 1 ATOM 5844 N N . THR B 1 359 ? -34.338 48.539 37.166 1.00 17.82 ? 435 THR B N 1 ATOM 5845 C CA . THR B 1 359 ? -35.533 48.948 37.902 1.00 16.30 ? 435 THR B CA 1 ATOM 5846 C C . THR B 1 359 ? -36.774 49.004 37.016 1.00 15.55 ? 435 THR B C 1 ATOM 5847 O O . THR B 1 359 ? -37.862 49.345 37.485 1.00 17.24 ? 435 THR B O 1 ATOM 5848 C CB . THR B 1 359 ? -35.345 50.298 38.609 1.00 16.71 ? 435 THR B CB 1 ATOM 5849 O OG1 . THR B 1 359 ? -34.897 51.276 37.664 1.00 18.65 ? 435 THR B OG1 1 ATOM 5850 C CG2 . THR B 1 359 ? -34.322 50.170 39.730 1.00 18.08 ? 435 THR B CG2 1 ATOM 5851 N N . SER B 1 360 ? -36.612 48.675 35.738 1.00 13.01 ? 436 SER B N 1 ATOM 5852 C CA . SER B 1 360 ? -37.760 48.522 34.854 1.00 11.70 ? 436 SER B CA 1 ATOM 5853 C C . SER B 1 360 ? -38.031 47.041 34.589 1.00 11.78 ? 436 SER B C 1 ATOM 5854 O O . SER B 1 360 ? -37.103 46.227 34.525 1.00 13.01 ? 436 SER B O 1 ATOM 5855 C CB . SER B 1 360 ? -37.556 49.283 33.543 1.00 12.77 ? 436 SER B CB 1 ATOM 5856 O OG . SER B 1 360 ? -37.706 50.685 33.738 1.00 13.50 ? 436 SER B OG 1 ATOM 5857 N N . ILE B 1 361 ? -39.307 46.701 34.435 1.00 10.29 ? 437 ILE B N 1 ATOM 5858 C CA . ILE B 1 361 ? -39.712 45.310 34.251 1.00 9.91 ? 437 ILE B CA 1 ATOM 5859 C C . ILE B 1 361 ? -39.718 44.904 32.781 1.00 9.67 ? 437 ILE B C 1 ATOM 5860 O O . ILE B 1 361 ? -39.887 43.731 32.457 1.00 10.23 ? 437 ILE B O 1 ATOM 5861 C CB . ILE B 1 361 ? -41.120 45.050 34.831 1.00 10.93 ? 437 ILE B CB 1 ATOM 5862 C CG1 . ILE B 1 361 ? -42.192 45.788 34.018 1.00 11.01 ? 437 ILE B CG1 1 ATOM 5863 C CG2 . ILE B 1 361 ? -41.169 45.438 36.303 1.00 12.53 ? 437 ILE B CG2 1 ATOM 5864 C CD1 . ILE B 1 361 ? -43.618 45.432 34.435 1.00 12.51 ? 437 ILE B CD1 1 ATOM 5865 N N . TRP B 1 362 ? -39.515 45.886 31.908 1.00 9.07 ? 438 TRP B N 1 ATOM 5866 C CA . TRP B 1 362 ? -39.683 45.717 30.470 1.00 9.25 ? 438 TRP B CA 1 ATOM 5867 C C . TRP B 1 362 ? -38.423 46.083 29.693 1.00 9.29 ? 438 TRP B C 1 ATOM 5868 O O . TRP B 1 362 ? -37.465 46.622 30.251 1.00 10.32 ? 438 TRP B O 1 ATOM 5869 C CB . TRP B 1 362 ? -40.836 46.604 29.991 1.00 9.55 ? 438 TRP B CB 1 ATOM 5870 C CG . TRP B 1 362 ? -40.697 48.034 30.443 1.00 8.39 ? 438 TRP B CG 1 ATOM 5871 C CD1 . TRP B 1 362 ? -41.065 48.552 31.656 1.00 9.82 ? 438 TRP B CD1 1 ATOM 5872 C CD2 . TRP B 1 362 ? -40.139 49.122 29.697 1.00 8.26 ? 438 TRP B CD2 1 ATOM 5873 N NE1 . TRP B 1 362 ? -40.775 49.894 31.708 1.00 9.60 ? 438 TRP B NE1 1 ATOM 5874 C CE2 . TRP B 1 362 ? -40.202 50.271 30.521 1.00 8.88 ? 438 TRP B CE2 1 ATOM 5875 C CE3 . TRP B 1 362 ? -39.587 49.239 28.416 1.00 7.74 ? 438 TRP B CE3 1 ATOM 5876 C CZ2 . TRP B 1 362 ? -39.745 51.521 30.101 1.00 9.27 ? 438 TRP B CZ2 1 ATOM 5877 C CZ3 . TRP B 1 362 ? -39.129 50.480 28.001 1.00 8.96 ? 438 TRP B CZ3 1 ATOM 5878 C CH2 . TRP B 1 362 ? -39.213 51.605 28.844 1.00 8.85 ? 438 TRP B CH2 1 ATOM 5879 N N . THR B 1 363 ? -38.442 45.785 28.398 1.00 8.98 ? 439 THR B N 1 ATOM 5880 C CA . THR B 1 363 ? -37.400 46.216 27.476 1.00 7.99 ? 439 THR B CA 1 ATOM 5881 C C . THR B 1 363 ? -38.076 46.686 26.200 1.00 7.95 ? 439 THR B C 1 ATOM 5882 O O . THR B 1 363 ? -38.913 45.980 25.649 1.00 7.96 ? 439 THR B O 1 ATOM 5883 C CB . THR B 1 363 ? -36.458 45.057 27.102 1.00 8.71 ? 439 THR B CB 1 ATOM 5884 O OG1 . THR B 1 363 ? -35.737 44.622 28.264 1.00 9.74 ? 439 THR B OG1 1 ATOM 5885 C CG2 . THR B 1 363 ? -35.476 45.495 26.020 1.00 9.37 ? 439 THR B CG2 1 ATOM 5886 N N . SER B 1 364 ? -37.722 47.874 25.726 1.00 7.47 ? 440 SER B N 1 ATOM 5887 C CA . SER B 1 364 ? -38.176 48.298 24.412 1.00 7.84 ? 440 SER B CA 1 ATOM 5888 C C . SER B 1 364 ? -37.085 49.123 23.758 1.00 8.07 ? 440 SER B C 1 ATOM 5889 O O . SER B 1 364 ? -35.974 49.226 24.283 1.00 9.57 ? 440 SER B O 1 ATOM 5890 C CB . SER B 1 364 ? -39.487 49.086 24.499 1.00 9.00 ? 440 SER B CB 1 ATOM 5891 O OG . SER B 1 364 ? -40.113 49.152 23.226 1.00 8.54 ? 440 SER B OG 1 ATOM 5892 N N . SER B 1 365 ? -37.385 49.692 22.600 1.00 7.34 ? 441 SER B N 1 ATOM 5893 C CA . SER B 1 365 ? -36.424 50.562 21.938 1.00 6.61 ? 441 SER B CA 1 ATOM 5894 C C . SER B 1 365 ? -37.119 51.595 21.065 1.00 7.38 ? 441 SER B C 1 ATOM 5895 O O . SER B 1 365 ? -38.287 51.432 20.704 1.00 8.88 ? 441 SER B O 1 ATOM 5896 C CB . SER B 1 365 ? -35.407 49.745 21.128 1.00 8.14 ? 441 SER B CB 1 ATOM 5897 O OG . SER B 1 365 ? -36.023 49.021 20.073 1.00 9.37 ? 441 SER B OG 1 ATOM 5898 N N . SER B 1 366 ? -36.404 52.676 20.766 1.00 8.68 ? 442 SER B N 1 ATOM 5899 C CA . SER B 1 366 ? -36.849 53.644 19.767 1.00 7.24 ? 442 SER B CA 1 ATOM 5900 C C . SER B 1 366 ? -35.723 53.808 18.761 1.00 8.36 ? 442 SER B C 1 ATOM 5901 O O . SER B 1 366 ? -34.678 53.160 18.882 1.00 9.42 ? 442 SER B O 1 ATOM 5902 C CB . SER B 1 366 ? -37.222 54.993 20.392 1.00 8.59 ? 442 SER B CB 1 ATOM 5903 O OG . SER B 1 366 ? -36.074 55.731 20.762 1.00 10.19 ? 442 SER B OG 1 ATOM 5904 N N . SER B 1 367 ? -35.921 54.662 17.766 1.00 8.16 ? 443 SER B N 1 ATOM 5905 C CA . SER B 1 367 ? -34.944 54.738 16.689 1.00 9.63 ? 443 SER B CA 1 ATOM 5906 C C . SER B 1 367 ? -34.647 56.145 16.201 1.00 9.42 ? 443 SER B C 1 ATOM 5907 O O . SER B 1 367 ? -35.444 57.073 16.368 1.00 10.54 ? 443 SER B O 1 ATOM 5908 C CB . SER B 1 367 ? -35.385 53.869 15.504 1.00 10.07 ? 443 SER B CB 1 ATOM 5909 O OG . SER B 1 367 ? -36.479 54.459 14.808 1.00 12.85 ? 443 SER B OG 1 ATOM 5910 N N . THR B 1 368 ? -33.467 56.280 15.608 1.00 7.46 ? 444 THR B N 1 ATOM 5911 C CA . THR B 1 368 ? -33.127 57.412 14.763 1.00 7.99 ? 444 THR B CA 1 ATOM 5912 C C . THR B 1 368 ? -32.645 56.857 13.430 1.00 7.70 ? 444 THR B C 1 ATOM 5913 O O . THR B 1 368 ? -32.180 55.710 13.347 1.00 9.33 ? 444 THR B O 1 ATOM 5914 C CB . THR B 1 368 ? -32.033 58.293 15.386 1.00 8.27 ? 444 THR B CB 1 ATOM 5915 O OG1 . THR B 1 368 ? -30.952 57.465 15.839 1.00 9.45 ? 444 THR B OG1 1 ATOM 5916 C CG2 . THR B 1 368 ? -32.599 59.082 16.563 1.00 9.48 ? 444 THR B CG2 1 ATOM 5917 N N . VAL B 1 369 ? -32.774 57.667 12.385 1.00 7.43 ? 445 VAL B N 1 ATOM 5918 C CA . VAL B 1 369 ? -32.450 57.233 11.038 1.00 6.79 ? 445 VAL B CA 1 ATOM 5919 C C . VAL B 1 369 ? -31.658 58.337 10.359 1.00 6.89 ? 445 VAL B C 1 ATOM 5920 O O . VAL B 1 369 ? -31.978 59.515 10.523 1.00 8.01 ? 445 VAL B O 1 ATOM 5921 C CB . VAL B 1 369 ? -33.725 56.953 10.236 1.00 7.86 ? 445 VAL B CB 1 ATOM 5922 C CG1 . VAL B 1 369 ? -33.383 56.421 8.840 1.00 9.15 ? 445 VAL B CG1 1 ATOM 5923 C CG2 . VAL B 1 369 ? -34.615 55.968 10.986 1.00 9.46 ? 445 VAL B CG2 1 ATOM 5924 N N . PHE B 1 370 ? -30.629 57.952 9.606 1.00 7.22 ? 446 PHE B N 1 ATOM 5925 C CA . PHE B 1 370 ? -29.706 58.897 8.980 1.00 8.49 ? 446 PHE B CA 1 ATOM 5926 C C . PHE B 1 370 ? -29.421 58.483 7.547 1.00 9.39 ? 446 PHE B C 1 ATOM 5927 O O . PHE B 1 370 ? -29.304 57.293 7.250 1.00 10.53 ? 446 PHE B O 1 ATOM 5928 C CB . PHE B 1 370 ? -28.379 58.920 9.744 1.00 8.90 ? 446 PHE B CB 1 ATOM 5929 C CG . PHE B 1 370 ? -28.519 59.297 11.186 1.00 10.06 ? 446 PHE B CG 1 ATOM 5930 C CD1 . PHE B 1 370 ? -28.923 58.356 12.126 1.00 11.05 ? 446 PHE B CD1 1 ATOM 5931 C CD2 . PHE B 1 370 ? -28.251 60.594 11.607 1.00 11.01 ? 446 PHE B CD2 1 ATOM 5932 C CE1 . PHE B 1 370 ? -29.062 58.705 13.465 1.00 11.69 ? 446 PHE B CE1 1 ATOM 5933 C CE2 . PHE B 1 370 ? -28.388 60.948 12.939 1.00 11.01 ? 446 PHE B CE2 1 ATOM 5934 C CZ . PHE B 1 370 ? -28.798 60.001 13.869 1.00 12.24 ? 446 PHE B CZ 1 ATOM 5935 N N . CYS B 1 371 ? -29.293 59.460 6.658 1.00 7.80 ? 447 CYS B N 1 ATOM 5936 C CA . CYS B 1 371 ? -28.925 59.161 5.276 1.00 10.39 ? 447 CYS B CA 1 ATOM 5937 C C . CYS B 1 371 ? -27.674 59.899 4.832 1.00 10.37 ? 447 CYS B C 1 ATOM 5938 O O . CYS B 1 371 ? -27.435 61.046 5.225 1.00 10.40 ? 447 CYS B O 1 ATOM 5939 C CB . CYS B 1 371 ? -30.078 59.463 4.320 1.00 12.55 ? 447 CYS B CB 1 ATOM 5940 S SG . CYS B 1 371 ? -31.392 58.223 4.394 1.00 13.50 ? 447 CYS B SG 1 ATOM 5941 N N . GLY B 1 372 ? -26.890 59.239 3.988 1.00 9.82 ? 448 GLY B N 1 ATOM 5942 C CA . GLY B 1 372 ? -25.666 59.819 3.474 1.00 10.34 ? 448 GLY B CA 1 ATOM 5943 C C . GLY B 1 372 ? -25.895 60.993 2.543 1.00 12.08 ? 448 GLY B C 1 ATOM 5944 O O . GLY B 1 372 ? -26.816 60.993 1.723 1.00 13.60 ? 448 GLY B O 1 ATOM 5945 N N . VAL B 1 373 ? -25.042 62.001 2.677 1.00 11.96 ? 449 VAL B N 1 ATOM 5946 C CA . VAL B 1 373 ? -25.093 63.166 1.806 1.00 13.06 ? 449 VAL B CA 1 ATOM 5947 C C . VAL B 1 373 ? -23.692 63.497 1.305 1.00 14.15 ? 449 VAL B C 1 ATOM 5948 O O . VAL B 1 373 ? -22.702 62.958 1.802 1.00 13.93 ? 449 VAL B O 1 ATOM 5949 C CB . VAL B 1 373 ? -25.728 64.376 2.508 1.00 13.73 ? 449 VAL B CB 1 ATOM 5950 C CG1 . VAL B 1 373 ? -27.216 64.144 2.707 1.00 13.78 ? 449 VAL B CG1 1 ATOM 5951 C CG2 . VAL B 1 373 ? -25.047 64.624 3.840 1.00 14.01 ? 449 VAL B CG2 1 ATOM 5952 N N A SER B 1 374 ? -23.609 64.379 0.316 0.43 15.74 ? 450 SER B N 1 ATOM 5953 N N B SER B 1 374 ? -23.617 64.396 0.330 0.57 15.35 ? 450 SER B N 1 ATOM 5954 C CA A SER B 1 374 ? -22.343 64.642 -0.360 0.43 17.99 ? 450 SER B CA 1 ATOM 5955 C CA B SER B 1 374 ? -22.368 64.667 -0.373 0.57 17.45 ? 450 SER B CA 1 ATOM 5956 C C A SER B 1 374 ? -21.383 65.513 0.447 0.43 19.23 ? 450 SER B C 1 ATOM 5957 C C B SER B 1 374 ? -21.438 65.623 0.370 0.57 19.43 ? 450 SER B C 1 ATOM 5958 O O A SER B 1 374 ? -20.207 65.626 0.107 0.43 21.36 ? 450 SER B O 1 ATOM 5959 O O B SER B 1 374 ? -20.336 65.909 -0.096 0.57 21.99 ? 450 SER B O 1 ATOM 5960 C CB A SER B 1 374 ? -22.591 65.264 -1.737 0.43 19.65 ? 450 SER B CB 1 ATOM 5961 C CB B SER B 1 374 ? -22.660 65.219 -1.768 0.57 18.48 ? 450 SER B CB 1 ATOM 5962 O OG A SER B 1 374 ? -23.277 64.358 -2.583 0.43 20.90 ? 450 SER B OG 1 ATOM 5963 O OG B SER B 1 374 ? -23.317 66.469 -1.680 0.57 18.93 ? 450 SER B OG 1 ATOM 5964 N N . SER B 1 375 ? -21.882 66.123 1.516 1.00 18.18 ? 451 SER B N 1 ATOM 5965 C CA . SER B 1 375 ? -21.067 67.033 2.313 1.00 20.75 ? 451 SER B CA 1 ATOM 5966 C C . SER B 1 375 ? -20.952 66.564 3.757 1.00 17.55 ? 451 SER B C 1 ATOM 5967 O O . SER B 1 375 ? -21.708 65.707 4.200 1.00 17.81 ? 451 SER B O 1 ATOM 5968 C CB . SER B 1 375 ? -21.657 68.443 2.269 1.00 24.73 ? 451 SER B CB 1 ATOM 5969 O OG . SER B 1 375 ? -22.982 68.445 2.778 1.00 27.31 ? 451 SER B OG 1 ATOM 5970 N N . GLU B 1 376 ? -19.996 67.124 4.490 1.00 16.88 ? 452 GLU B N 1 ATOM 5971 C CA . GLU B 1 376 ? -19.863 66.792 5.899 1.00 16.57 ? 452 GLU B CA 1 ATOM 5972 C C . GLU B 1 376 ? -21.015 67.398 6.683 1.00 16.04 ? 452 GLU B C 1 ATOM 5973 O O . GLU B 1 376 ? -21.445 68.517 6.408 1.00 18.92 ? 452 GLU B O 1 ATOM 5974 C CB . GLU B 1 376 ? -18.525 67.276 6.459 1.00 20.04 ? 452 GLU B CB 1 ATOM 5975 C CG . GLU B 1 376 ? -17.329 66.579 5.844 1.00 24.83 ? 452 GLU B CG 1 ATOM 5976 C CD . GLU B 1 376 ? -16.052 66.807 6.628 1.00 31.11 ? 452 GLU B CD 1 ATOM 5977 O OE1 . GLU B 1 376 ? -14.997 66.285 6.211 1.00 34.19 ? 452 GLU B OE1 1 ATOM 5978 O OE2 . GLU B 1 376 ? -16.101 67.511 7.658 1.00 33.66 ? 452 GLU B OE2 1 ATOM 5979 N N . VAL B 1 377 ? -21.505 66.641 7.657 1.00 14.20 ? 453 VAL B N 1 ATOM 5980 C CA . VAL B 1 377 ? -22.630 67.040 8.483 1.00 14.08 ? 453 VAL B CA 1 ATOM 5981 C C . VAL B 1 377 ? -22.215 66.903 9.940 1.00 12.90 ? 453 VAL B C 1 ATOM 5982 O O . VAL B 1 377 ? -21.612 65.901 10.313 1.00 13.65 ? 453 VAL B O 1 ATOM 5983 C CB . VAL B 1 377 ? -23.832 66.109 8.234 1.00 16.02 ? 453 VAL B CB 1 ATOM 5984 C CG1 . VAL B 1 377 ? -25.007 66.514 9.091 1.00 18.15 ? 453 VAL B CG1 1 ATOM 5985 C CG2 . VAL B 1 377 ? -24.209 66.114 6.758 1.00 18.04 ? 453 VAL B CG2 1 ATOM 5986 N N . PRO B 1 378 ? -22.539 67.906 10.770 1.00 13.12 ? 454 PRO B N 1 ATOM 5987 C CA . PRO B 1 378 ? -22.211 67.825 12.198 1.00 12.81 ? 454 PRO B CA 1 ATOM 5988 C C . PRO B 1 378 ? -22.973 66.696 12.874 1.00 12.00 ? 454 PRO B C 1 ATOM 5989 O O . PRO B 1 378 ? -24.049 66.304 12.423 1.00 12.24 ? 454 PRO B O 1 ATOM 5990 C CB . PRO B 1 378 ? -22.718 69.164 12.756 1.00 15.00 ? 454 PRO B CB 1 ATOM 5991 C CG . PRO B 1 378 ? -22.906 70.043 11.585 1.00 16.36 ? 454 PRO B CG 1 ATOM 5992 C CD . PRO B 1 378 ? -23.231 69.158 10.429 1.00 13.50 ? 454 PRO B CD 1 ATOM 5993 N N . GLY B 1 379 ? -22.420 66.178 13.960 1.00 11.84 ? 455 GLY B N 1 ATOM 5994 C CA . GLY B 1 379 ? -23.149 65.228 14.771 1.00 11.57 ? 455 GLY B CA 1 ATOM 5995 C C . GLY B 1 379 ? -23.874 65.947 15.888 1.00 12.32 ? 455 GLY B C 1 ATOM 5996 O O . GLY B 1 379 ? -23.826 67.176 15.991 1.00 14.66 ? 455 GLY B O 1 ATOM 5997 N N . TRP B 1 380 ? -24.557 65.165 16.714 1.00 10.85 ? 456 TRP B N 1 ATOM 5998 C CA . TRP B 1 380 ? -25.182 65.636 17.938 1.00 11.34 ? 456 TRP B CA 1 ATOM 5999 C C . TRP B 1 380 ? -25.463 64.381 18.742 1.00 11.76 ? 456 TRP B C 1 ATOM 6000 O O . TRP B 1 380 ? -24.867 63.337 18.490 1.00 13.93 ? 456 TRP B O 1 ATOM 6001 C CB . TRP B 1 380 ? -26.488 66.391 17.653 1.00 11.12 ? 456 TRP B CB 1 ATOM 6002 C CG . TRP B 1 380 ? -26.912 67.330 18.760 1.00 11.77 ? 456 TRP B CG 1 ATOM 6003 C CD1 . TRP B 1 380 ? -26.105 67.922 19.690 1.00 12.82 ? 456 TRP B CD1 1 ATOM 6004 C CD2 . TRP B 1 380 ? -28.243 67.800 19.029 1.00 9.61 ? 456 TRP B CD2 1 ATOM 6005 N NE1 . TRP B 1 380 ? -26.850 68.723 20.528 1.00 11.95 ? 456 TRP B NE1 1 ATOM 6006 C CE2 . TRP B 1 380 ? -28.165 68.667 20.141 1.00 11.49 ? 456 TRP B CE2 1 ATOM 6007 C CE3 . TRP B 1 380 ? -29.491 67.571 18.439 1.00 10.61 ? 456 TRP B CE3 1 ATOM 6008 C CZ2 . TRP B 1 380 ? -29.287 69.305 20.672 1.00 11.29 ? 456 TRP B CZ2 1 ATOM 6009 C CZ3 . TRP B 1 380 ? -30.603 68.208 18.964 1.00 10.21 ? 456 TRP B CZ3 1 ATOM 6010 C CH2 . TRP B 1 380 ? -30.493 69.067 20.070 1.00 11.22 ? 456 TRP B CH2 1 ATOM 6011 N N . SER B 1 381 ? -26.360 64.476 19.712 1.00 11.13 ? 457 SER B N 1 ATOM 6012 C CA . SER B 1 381 ? -26.790 63.300 20.452 1.00 9.96 ? 457 SER B CA 1 ATOM 6013 C C . SER B 1 381 ? -28.310 63.272 20.492 1.00 10.37 ? 457 SER B C 1 ATOM 6014 O O . SER B 1 381 ? -28.937 63.981 21.285 1.00 12.06 ? 457 SER B O 1 ATOM 6015 C CB . SER B 1 381 ? -26.213 63.296 21.867 1.00 10.87 ? 457 SER B CB 1 ATOM 6016 O OG . SER B 1 381 ? -26.549 62.096 22.547 1.00 11.48 ? 457 SER B OG 1 ATOM 6017 N N . TRP B 1 382 ? -28.899 62.474 19.609 1.00 8.62 ? 458 TRP B N 1 ATOM 6018 C CA . TRP B 1 382 ? -30.345 62.326 19.570 1.00 8.59 ? 458 TRP B CA 1 ATOM 6019 C C . TRP B 1 382 ? -30.725 61.061 20.325 1.00 8.32 ? 458 TRP B C 1 ATOM 6020 O O . TRP B 1 382 ? -30.920 59.993 19.732 1.00 8.99 ? 458 TRP B O 1 ATOM 6021 C CB . TRP B 1 382 ? -30.851 62.253 18.131 1.00 7.88 ? 458 TRP B CB 1 ATOM 6022 C CG . TRP B 1 382 ? -30.731 63.513 17.310 1.00 8.55 ? 458 TRP B CG 1 ATOM 6023 C CD1 . TRP B 1 382 ? -31.654 64.520 17.200 1.00 8.03 ? 458 TRP B CD1 1 ATOM 6024 C CD2 . TRP B 1 382 ? -29.641 63.871 16.445 1.00 9.12 ? 458 TRP B CD2 1 ATOM 6025 N NE1 . TRP B 1 382 ? -31.195 65.488 16.326 1.00 8.95 ? 458 TRP B NE1 1 ATOM 6026 C CE2 . TRP B 1 382 ? -29.964 65.110 15.852 1.00 8.89 ? 458 TRP B CE2 1 ATOM 6027 C CE3 . TRP B 1 382 ? -28.424 63.262 16.115 1.00 9.89 ? 458 TRP B CE3 1 ATOM 6028 C CZ2 . TRP B 1 382 ? -29.113 65.751 14.951 1.00 9.78 ? 458 TRP B CZ2 1 ATOM 6029 C CZ3 . TRP B 1 382 ? -27.577 63.903 15.219 1.00 10.07 ? 458 TRP B CZ3 1 ATOM 6030 C CH2 . TRP B 1 382 ? -27.927 65.135 14.649 1.00 10.20 ? 458 TRP B CH2 1 ATOM 6031 N N . ASP B 1 383 ? -30.814 61.183 21.646 1.00 7.69 ? 459 ASP B N 1 ATOM 6032 C CA . ASP B 1 383 ? -31.060 60.030 22.505 1.00 8.64 ? 459 ASP B CA 1 ATOM 6033 C C . ASP B 1 383 ? -32.542 59.672 22.583 1.00 9.17 ? 459 ASP B C 1 ATOM 6034 O O . ASP B 1 383 ? -33.408 60.457 22.184 1.00 10.14 ? 459 ASP B O 1 ATOM 6035 C CB . ASP B 1 383 ? -30.512 60.293 23.908 1.00 9.96 ? 459 ASP B CB 1 ATOM 6036 C CG . ASP B 1 383 ? -31.157 61.498 24.564 1.00 12.23 ? 459 ASP B CG 1 ATOM 6037 O OD1 . ASP B 1 383 ? -31.880 61.315 25.568 1.00 14.24 ? 459 ASP B OD1 1 ATOM 6038 O OD2 . ASP B 1 383 ? -30.949 62.629 24.069 1.00 13.62 ? 459 ASP B OD2 1 ATOM 6039 N N . ASP B 1 384 ? -32.826 58.476 23.091 1.00 8.77 ? 460 ASP B N 1 ATOM 6040 C CA . ASP B 1 384 ? -34.201 58.010 23.205 1.00 8.60 ? 460 ASP B CA 1 ATOM 6041 C C . ASP B 1 384 ? -35.054 59.047 23.924 1.00 9.14 ? 460 ASP B C 1 ATOM 6042 O O . ASP B 1 384 ? -36.132 59.421 23.451 1.00 9.23 ? 460 ASP B O 1 ATOM 6043 C CB . ASP B 1 384 ? -34.263 56.678 23.946 1.00 9.82 ? 460 ASP B CB 1 ATOM 6044 C CG . ASP B 1 384 ? -35.676 56.302 24.319 1.00 11.23 ? 460 ASP B CG 1 ATOM 6045 O OD1 . ASP B 1 384 ? -36.443 55.891 23.423 1.00 12.18 ? 460 ASP B OD1 1 ATOM 6046 O OD2 . ASP B 1 384 ? -36.025 56.446 25.506 1.00 11.49 ? 460 ASP B OD2 1 ATOM 6047 N N . GLY B 1 385 ? -34.570 59.494 25.078 1.00 8.86 ? 461 GLY B N 1 ATOM 6048 C CA . GLY B 1 385 ? -35.195 60.588 25.797 1.00 8.78 ? 461 GLY B CA 1 ATOM 6049 C C . GLY B 1 385 ? -36.281 60.244 26.800 1.00 8.88 ? 461 GLY B C 1 ATOM 6050 O O . GLY B 1 385 ? -36.799 61.139 27.471 1.00 10.35 ? 461 GLY B O 1 ATOM 6051 N N . ALA B 1 386 ? -36.633 58.966 26.923 1.00 8.98 ? 462 ALA B N 1 ATOM 6052 C CA . ALA B 1 386 ? -37.647 58.573 27.900 1.00 9.42 ? 462 ALA B CA 1 ATOM 6053 C C . ALA B 1 386 ? -37.098 58.673 29.323 1.00 9.18 ? 462 ALA B C 1 ATOM 6054 O O . ALA B 1 386 ? -35.913 58.434 29.572 1.00 10.60 ? 462 ALA B O 1 ATOM 6055 C CB . ALA B 1 386 ? -38.162 57.165 27.624 1.00 10.44 ? 462 ALA B CB 1 ATOM 6056 N N . ILE B 1 387 ? -37.974 59.030 30.253 1.00 8.33 ? 463 ILE B N 1 ATOM 6057 C CA . ILE B 1 387 ? -37.603 59.143 31.650 1.00 10.67 ? 463 ILE B CA 1 ATOM 6058 C C . ILE B 1 387 ? -38.079 57.906 32.401 1.00 10.58 ? 463 ILE B C 1 ATOM 6059 O O . ILE B 1 387 ? -39.277 57.716 32.610 1.00 10.88 ? 463 ILE B O 1 ATOM 6060 C CB . ILE B 1 387 ? -38.210 60.409 32.272 1.00 12.94 ? 463 ILE B CB 1 ATOM 6061 C CG1 . ILE B 1 387 ? -37.743 61.646 31.499 1.00 14.54 ? 463 ILE B CG1 1 ATOM 6062 C CG2 . ILE B 1 387 ? -37.847 60.514 33.753 1.00 13.89 ? 463 ILE B CG2 1 ATOM 6063 C CD1 . ILE B 1 387 ? -38.555 62.893 31.791 1.00 15.72 ? 463 ILE B CD1 1 ATOM 6064 N N . LEU B 1 388 ? -37.134 57.055 32.788 1.00 9.94 ? 464 LEU B N 1 ATOM 6065 C CA . LEU B 1 388 ? -37.454 55.825 33.500 1.00 10.84 ? 464 LEU B CA 1 ATOM 6066 C C . LEU B 1 388 ? -37.135 55.998 34.975 1.00 12.06 ? 464 LEU B C 1 ATOM 6067 O O . LEU B 1 388 ? -36.320 56.843 35.336 1.00 13.18 ? 464 LEU B O 1 ATOM 6068 C CB . LEU B 1 388 ? -36.662 54.652 32.923 1.00 9.39 ? 464 LEU B CB 1 ATOM 6069 C CG . LEU B 1 388 ? -37.265 53.916 31.725 1.00 8.26 ? 464 LEU B CG 1 ATOM 6070 C CD1 . LEU B 1 388 ? -37.577 54.868 30.561 1.00 8.67 ? 464 LEU B CD1 1 ATOM 6071 C CD2 . LEU B 1 388 ? -36.328 52.800 31.286 1.00 9.37 ? 464 LEU B CD2 1 ATOM 6072 N N . PRO B 1 389 ? -37.770 55.193 35.839 1.00 12.18 ? 465 PRO B N 1 ATOM 6073 C CA . PRO B 1 389 ? -38.744 54.147 35.506 1.00 11.89 ? 465 PRO B CA 1 ATOM 6074 C C . PRO B 1 389 ? -40.092 54.705 35.063 1.00 11.68 ? 465 PRO B C 1 ATOM 6075 O O . PRO B 1 389 ? -40.373 55.892 35.244 1.00 12.39 ? 465 PRO B O 1 ATOM 6076 C CB . PRO B 1 389 ? -38.922 53.393 36.832 1.00 13.92 ? 465 PRO B CB 1 ATOM 6077 C CG . PRO B 1 389 ? -37.784 53.831 37.704 1.00 15.92 ? 465 PRO B CG 1 ATOM 6078 C CD . PRO B 1 389 ? -37.466 55.221 37.279 1.00 13.45 ? 465 PRO B CD 1 ATOM 6079 N N . PHE B 1 390 ? -40.914 53.833 34.487 1.00 10.24 ? 466 PHE B N 1 ATOM 6080 C CA . PHE B 1 390 ? -42.258 54.186 34.050 1.00 10.32 ? 466 PHE B CA 1 ATOM 6081 C C . PHE B 1 390 ? -43.281 53.817 35.128 1.00 11.03 ? 466 PHE B C 1 ATOM 6082 O O . PHE B 1 390 ? -42.942 53.158 36.113 1.00 11.97 ? 466 PHE B O 1 ATOM 6083 C CB . PHE B 1 390 ? -42.589 53.467 32.738 1.00 9.78 ? 466 PHE B CB 1 ATOM 6084 C CG . PHE B 1 390 ? -42.277 54.267 31.501 1.00 10.52 ? 466 PHE B CG 1 ATOM 6085 C CD1 . PHE B 1 390 ? -41.385 55.329 31.543 1.00 11.37 ? 466 PHE B CD1 1 ATOM 6086 C CD2 . PHE B 1 390 ? -42.877 53.949 30.292 1.00 10.85 ? 466 PHE B CD2 1 ATOM 6087 C CE1 . PHE B 1 390 ? -41.108 56.064 30.404 1.00 10.89 ? 466 PHE B CE1 1 ATOM 6088 C CE2 . PHE B 1 390 ? -42.601 54.682 29.148 1.00 11.47 ? 466 PHE B CE2 1 ATOM 6089 C CZ . PHE B 1 390 ? -41.716 55.738 29.206 1.00 11.80 ? 466 PHE B CZ 1 ATOM 6090 N N . ASP B 1 391 ? -44.527 54.248 34.943 1.00 11.43 ? 467 ASP B N 1 ATOM 6091 C CA . ASP B 1 391 ? -45.589 53.975 35.909 1.00 12.04 ? 467 ASP B CA 1 ATOM 6092 C C . ASP B 1 391 ? -45.690 52.487 36.253 1.00 11.78 ? 467 ASP B C 1 ATOM 6093 O O . ASP B 1 391 ? -45.823 52.121 37.422 1.00 13.07 ? 467 ASP B O 1 ATOM 6094 C CB . ASP B 1 391 ? -46.948 54.455 35.382 1.00 14.58 ? 467 ASP B CB 1 ATOM 6095 C CG . ASP B 1 391 ? -46.992 55.954 35.124 1.00 18.54 ? 467 ASP B CG 1 ATOM 6096 O OD1 . ASP B 1 391 ? -46.112 56.687 35.626 1.00 20.92 ? 467 ASP B OD1 1 ATOM 6097 O OD2 . ASP B 1 391 ? -47.925 56.401 34.418 1.00 19.77 ? 467 ASP B OD2 1 ATOM 6098 N N . ILE B 1 392 ? -45.642 51.636 35.230 1.00 10.07 ? 468 ILE B N 1 ATOM 6099 C CA . ILE B 1 392 ? -45.831 50.196 35.411 1.00 10.40 ? 468 ILE B CA 1 ATOM 6100 C C . ILE B 1 392 ? -44.724 49.572 36.263 1.00 12.50 ? 468 ILE B C 1 ATOM 6101 O O . ILE B 1 392 ? -44.900 48.490 36.831 1.00 13.22 ? 468 ILE B O 1 ATOM 6102 C CB . ILE B 1 392 ? -45.923 49.466 34.044 1.00 11.66 ? 468 ILE B CB 1 ATOM 6103 C CG1 . ILE B 1 392 ? -46.495 48.053 34.207 1.00 12.03 ? 468 ILE B CG1 1 ATOM 6104 C CG2 . ILE B 1 392 ? -44.562 49.429 33.348 1.00 12.38 ? 468 ILE B CG2 1 ATOM 6105 C CD1 . ILE B 1 392 ? -47.975 48.019 34.537 1.00 13.81 ? 468 ILE B CD1 1 ATOM 6106 N N . ASP B 1 393 ? -43.599 50.270 36.366 1.00 12.64 ? 469 ASP B N 1 ATOM 6107 C CA . ASP B 1 393 ? -42.437 49.762 37.086 1.00 13.60 ? 469 ASP B CA 1 ATOM 6108 C C . ASP B 1 393 ? -42.573 49.961 38.583 1.00 15.82 ? 469 ASP B C 1 ATOM 6109 O O . ASP B 1 393 ? -41.788 49.425 39.362 1.00 17.41 ? 469 ASP B O 1 ATOM 6110 C CB . ASP B 1 393 ? -41.172 50.457 36.596 1.00 11.94 ? 469 ASP B CB 1 ATOM 6111 C CG . ASP B 1 393 ? -40.857 50.127 35.160 1.00 11.41 ? 469 ASP B CG 1 ATOM 6112 O OD1 . ASP B 1 393 ? -40.436 51.040 34.417 1.00 11.67 ? 469 ASP B OD1 1 ATOM 6113 O OD2 . ASP B 1 393 ? -41.040 48.953 34.773 1.00 11.69 ? 469 ASP B OD2 1 ATOM 6114 N N . LYS B 1 394 ? -43.574 50.737 38.978 1.00 18.65 ? 470 LYS B N 1 ATOM 6115 C CA . LYS B 1 394 ? -43.778 51.072 40.384 1.00 25.07 ? 470 LYS B CA 1 ATOM 6116 C C . LYS B 1 394 ? -45.061 50.446 40.914 1.00 29.98 ? 470 LYS B C 1 ATOM 6117 O O . LYS B 1 394 ? -45.301 49.254 40.719 1.00 33.44 ? 470 LYS B O 1 ATOM 6118 C CB . LYS B 1 394 ? -43.818 52.588 40.560 1.00 29.05 ? 470 LYS B CB 1 ATOM 6119 C CG . LYS B 1 394 ? -42.507 53.273 40.212 1.00 34.40 ? 470 LYS B CG 1 ATOM 6120 C CD . LYS B 1 394 ? -42.746 54.644 39.608 1.00 38.63 ? 470 LYS B CD 1 ATOM 6121 C CE . LYS B 1 394 ? -41.442 55.356 39.303 1.00 41.20 ? 470 LYS B CE 1 ATOM 6122 N NZ . LYS B 1 394 ? -41.690 56.656 38.625 1.00 42.52 ? 470 LYS B NZ 1 HETATM 6123 CA CA . CA C 2 . ? -33.827 23.408 51.560 1.00 9.23 ? 601 CA A CA 1 HETATM 6124 C C1 . NAG D 3 . ? -38.158 6.954 27.764 1.00 24.13 ? 801 NAG A C1 1 HETATM 6125 C C2 . NAG D 3 . ? -37.766 6.819 26.292 1.00 25.60 ? 801 NAG A C2 1 HETATM 6126 C C3 . NAG D 3 . ? -38.405 7.900 25.424 1.00 28.35 ? 801 NAG A C3 1 HETATM 6127 C C4 . NAG D 3 . ? -39.875 8.131 25.765 1.00 30.66 ? 801 NAG A C4 1 HETATM 6128 C C5 . NAG D 3 . ? -40.083 8.198 27.273 1.00 28.80 ? 801 NAG A C5 1 HETATM 6129 C C6 . NAG D 3 . ? -41.560 8.315 27.628 1.00 30.78 ? 801 NAG A C6 1 HETATM 6130 C C7 . NAG D 3 . ? -35.605 5.846 25.740 1.00 25.52 ? 801 NAG A C7 1 HETATM 6131 C C8 . NAG D 3 . ? -34.123 6.057 25.631 1.00 23.54 ? 801 NAG A C8 1 HETATM 6132 N N2 . NAG D 3 . ? -36.325 6.890 26.143 1.00 25.30 ? 801 NAG A N2 1 HETATM 6133 O O3 . NAG D 3 . ? -38.284 7.542 24.064 1.00 28.43 ? 801 NAG A O3 1 HETATM 6134 O O4 . NAG D 3 . ? -40.295 9.347 25.183 1.00 34.76 ? 801 NAG A O4 1 HETATM 6135 O O5 . NAG D 3 . ? -39.565 7.032 27.872 1.00 25.60 ? 801 NAG A O5 1 HETATM 6136 O O6 . NAG D 3 . ? -42.225 7.140 27.223 1.00 32.23 ? 801 NAG A O6 1 HETATM 6137 O O7 . NAG D 3 . ? -36.099 4.753 25.467 1.00 27.48 ? 801 NAG A O7 1 HETATM 6138 C C1 . NAG E 3 . ? -41.153 9.099 24.054 1.00 41.17 ? 802 NAG A C1 1 HETATM 6139 C C2 . NAG E 3 . ? -42.037 10.325 23.856 1.00 44.14 ? 802 NAG A C2 1 HETATM 6140 C C3 . NAG E 3 . ? -42.968 10.151 22.661 1.00 46.26 ? 802 NAG A C3 1 HETATM 6141 C C4 . NAG E 3 . ? -42.202 9.657 21.438 1.00 47.80 ? 802 NAG A C4 1 HETATM 6142 C C5 . NAG E 3 . ? -41.306 8.474 21.793 1.00 47.44 ? 802 NAG A C5 1 HETATM 6143 C C6 . NAG E 3 . ? -40.475 8.034 20.590 1.00 48.87 ? 802 NAG A C6 1 HETATM 6144 C C7 . NAG E 3 . ? -42.430 11.510 25.937 1.00 44.91 ? 802 NAG A C7 1 HETATM 6145 C C8 . NAG E 3 . ? -43.301 11.681 27.146 1.00 45.53 ? 802 NAG A C8 1 HETATM 6146 N N2 . NAG E 3 . ? -42.801 10.580 25.062 1.00 44.52 ? 802 NAG A N2 1 HETATM 6147 O O3 . NAG E 3 . ? -43.580 11.387 22.369 1.00 46.16 ? 802 NAG A O3 1 HETATM 6148 O O4 . NAG E 3 . ? -43.117 9.272 20.434 1.00 48.79 ? 802 NAG A O4 1 HETATM 6149 O O5 . NAG E 3 . ? -40.449 8.808 22.866 1.00 44.41 ? 802 NAG A O5 1 HETATM 6150 O O6 . NAG E 3 . ? -39.719 9.125 20.111 1.00 49.65 ? 802 NAG A O6 1 HETATM 6151 O O7 . NAG E 3 . ? -41.427 12.206 25.791 1.00 44.39 ? 802 NAG A O7 1 HETATM 6152 C C1 . NAG F 3 . ? -9.656 16.726 69.984 1.00 33.07 ? 803 NAG A C1 1 HETATM 6153 C C2 . NAG F 3 . ? -8.692 16.053 70.963 1.00 37.53 ? 803 NAG A C2 1 HETATM 6154 C C3 . NAG F 3 . ? -9.216 16.170 72.386 1.00 42.47 ? 803 NAG A C3 1 HETATM 6155 C C4 . NAG F 3 . ? -9.398 17.642 72.709 1.00 43.39 ? 803 NAG A C4 1 HETATM 6156 C C5 . NAG F 3 . ? -10.328 18.278 71.682 1.00 41.76 ? 803 NAG A C5 1 HETATM 6157 C C6 . NAG F 3 . ? -10.459 19.775 71.934 1.00 43.87 ? 803 NAG A C6 1 HETATM 6158 C C7 . NAG F 3 . ? -7.241 14.276 70.226 1.00 40.86 ? 803 NAG A C7 1 HETATM 6159 C C8 . NAG F 3 . ? -7.056 12.819 69.913 1.00 40.70 ? 803 NAG A C8 1 HETATM 6160 N N2 . NAG F 3 . ? -8.445 14.661 70.640 1.00 38.72 ? 803 NAG A N2 1 HETATM 6161 O O3 . NAG F 3 . ? -8.317 15.575 73.297 1.00 44.48 ? 803 NAG A O3 1 HETATM 6162 O O4 . NAG F 3 . ? -9.937 17.782 74.005 1.00 45.58 ? 803 NAG A O4 1 HETATM 6163 O O5 . NAG F 3 . ? -9.852 18.076 70.362 1.00 37.57 ? 803 NAG A O5 1 HETATM 6164 O O6 . NAG F 3 . ? -9.245 20.408 71.598 1.00 45.05 ? 803 NAG A O6 1 HETATM 6165 O O7 . NAG F 3 . ? -6.307 15.065 70.093 1.00 42.45 ? 803 NAG A O7 1 HETATM 6166 C C1 . ZMR G 4 . ? -23.444 20.124 54.264 1.00 8.95 ? 901 ZMR A C1 1 HETATM 6167 O O1A . ZMR G 4 . ? -24.451 20.652 54.452 1.00 10.48 ? 901 ZMR A O1A 1 HETATM 6168 O O1B . ZMR G 4 . ? -23.035 18.978 54.787 1.00 12.26 ? 901 ZMR A O1B 1 HETATM 6169 C C2 . ZMR G 4 . ? -22.426 20.941 53.576 1.00 10.23 ? 901 ZMR A C2 1 HETATM 6170 C C3 . ZMR G 4 . ? -21.078 20.347 53.167 1.00 9.00 ? 901 ZMR A C3 1 HETATM 6171 C C4 . ZMR G 4 . ? -20.171 21.261 52.367 1.00 8.41 ? 901 ZMR A C4 1 HETATM 6172 C C5 . ZMR G 4 . ? -20.602 22.698 52.263 1.00 8.31 ? 901 ZMR A C5 1 HETATM 6173 N N5 . ZMR G 4 . ? -19.829 23.391 51.284 1.00 8.30 ? 901 ZMR A N5 1 HETATM 6174 C C10 . ZMR G 4 . ? -18.803 24.295 51.604 1.00 8.58 ? 901 ZMR A C10 1 HETATM 6175 O O10 . ZMR G 4 . ? -18.334 24.384 52.650 1.00 9.85 ? 901 ZMR A O10 1 HETATM 6176 C C11 . ZMR G 4 . ? -18.140 24.822 50.373 1.00 9.24 ? 901 ZMR A C11 1 HETATM 6177 C C6 . ZMR G 4 . ? -22.098 22.938 52.201 1.00 8.12 ? 901 ZMR A C6 1 HETATM 6178 O O6 . ZMR G 4 . ? -22.882 22.200 53.112 1.00 10.83 ? 901 ZMR A O6 1 HETATM 6179 C C7 . ZMR G 4 . ? -22.515 24.371 52.404 1.00 9.15 ? 901 ZMR A C7 1 HETATM 6180 O O7 . ZMR G 4 . ? -22.302 24.757 53.690 1.00 10.17 ? 901 ZMR A O7 1 HETATM 6181 C C8 . ZMR G 4 . ? -23.970 24.503 52.032 1.00 11.40 ? 901 ZMR A C8 1 HETATM 6182 O O8 . ZMR G 4 . ? -24.227 24.092 50.770 1.00 12.08 ? 901 ZMR A O8 1 HETATM 6183 C C9 . ZMR G 4 . ? -24.424 25.914 52.272 1.00 11.61 ? 901 ZMR A C9 1 HETATM 6184 O O9 . ZMR G 4 . ? -23.874 26.847 51.456 1.00 12.63 ? 901 ZMR A O9 1 HETATM 6185 N NE . ZMR G 4 . ? -18.785 21.011 52.612 1.00 7.88 ? 901 ZMR A NE 1 HETATM 6186 C CZ . ZMR G 4 . ? -17.791 21.093 51.614 1.00 8.78 ? 901 ZMR A CZ 1 HETATM 6187 N NH1 . ZMR G 4 . ? -18.101 20.940 50.350 1.00 9.20 ? 901 ZMR A NH1 1 HETATM 6188 N NH2 . ZMR G 4 . ? -16.561 21.090 52.066 1.00 9.32 ? 901 ZMR A NH2 1 HETATM 6189 C C1 . GOL H 5 . ? -17.988 28.515 23.360 1.00 14.13 ? 1 GOL A C1 1 HETATM 6190 O O1 . GOL H 5 . ? -19.395 28.438 23.261 1.00 13.95 ? 1 GOL A O1 1 HETATM 6191 C C2 . GOL H 5 . ? -17.360 27.869 22.130 1.00 16.70 ? 1 GOL A C2 1 HETATM 6192 O O2 . GOL H 5 . ? -17.554 26.471 22.192 1.00 17.48 ? 1 GOL A O2 1 HETATM 6193 C C3 . GOL H 5 . ? -15.870 28.205 22.104 1.00 17.83 ? 1 GOL A C3 1 HETATM 6194 O O3 . GOL H 5 . ? -15.280 27.708 20.922 1.00 20.77 ? 1 GOL A O3 1 HETATM 6195 C C1 . GOL I 5 . ? -32.589 24.423 27.645 1.00 34.80 ? 472 GOL A C1 1 HETATM 6196 O O1 . GOL I 5 . ? -33.581 23.440 27.836 1.00 33.59 ? 472 GOL A O1 1 HETATM 6197 C C2 . GOL I 5 . ? -32.819 25.077 26.288 1.00 36.46 ? 472 GOL A C2 1 HETATM 6198 O O2 . GOL I 5 . ? -31.937 24.517 25.338 1.00 36.92 ? 472 GOL A O2 1 HETATM 6199 C C3 . GOL I 5 . ? -32.562 26.574 26.399 1.00 36.79 ? 472 GOL A C3 1 HETATM 6200 O O3 . GOL I 5 . ? -33.769 27.258 26.162 1.00 36.78 ? 472 GOL A O3 1 HETATM 6201 CA CA . CA J 2 . ? -18.593 39.224 18.607 1.00 9.15 ? 601 CA B CA 1 HETATM 6202 C C1 . NAG K 3 . ? -16.935 56.125 -5.294 1.00 22.09 ? 801 NAG B C1 1 HETATM 6203 C C2 . NAG K 3 . ? -17.304 56.173 -6.780 1.00 23.39 ? 801 NAG B C2 1 HETATM 6204 C C3 . NAG K 3 . ? -16.469 55.195 -7.606 1.00 24.33 ? 801 NAG B C3 1 HETATM 6205 C C4 . NAG K 3 . ? -14.990 55.223 -7.228 1.00 26.42 ? 801 NAG B C4 1 HETATM 6206 C C5 . NAG K 3 . ? -14.826 55.179 -5.713 1.00 25.71 ? 801 NAG B C5 1 HETATM 6207 C C6 . NAG K 3 . ? -13.365 55.271 -5.286 1.00 28.53 ? 801 NAG B C6 1 HETATM 6208 C C7 . NAG K 3 . ? -19.596 56.743 -7.424 1.00 24.03 ? 801 NAG B C7 1 HETATM 6209 C C8 . NAG K 3 . ? -21.010 56.263 -7.570 1.00 23.86 ? 801 NAG B C8 1 HETATM 6210 N N2 . NAG K 3 . ? -18.709 55.855 -6.974 1.00 23.00 ? 801 NAG B N2 1 HETATM 6211 O O3 . NAG K 3 . ? -16.630 55.484 -8.979 1.00 25.29 ? 801 NAG B O3 1 HETATM 6212 O O4 . NAG K 3 . ? -14.344 54.112 -7.817 1.00 29.58 ? 801 NAG B O4 1 HETATM 6213 O O5 . NAG K 3 . ? -15.535 56.257 -5.147 1.00 22.86 ? 801 NAG B O5 1 HETATM 6214 O O6 . NAG K 3 . ? -12.893 56.577 -5.520 1.00 32.33 ? 801 NAG B O6 1 HETATM 6215 O O7 . NAG K 3 . ? -19.305 57.904 -7.707 1.00 25.28 ? 801 NAG B O7 1 HETATM 6216 C C1 . NAG L 3 . ? -13.268 54.555 -8.666 1.00 36.08 ? 802 NAG B C1 1 HETATM 6217 C C2 . NAG L 3 . ? -12.285 53.401 -8.842 1.00 37.93 ? 802 NAG B C2 1 HETATM 6218 C C3 . NAG L 3 . ? -11.144 53.752 -9.788 1.00 41.38 ? 802 NAG B C3 1 HETATM 6219 C C4 . NAG L 3 . ? -11.649 54.452 -11.042 1.00 43.83 ? 802 NAG B C4 1 HETATM 6220 C C5 . NAG L 3 . ? -12.623 55.565 -10.671 1.00 44.50 ? 802 NAG B C5 1 HETATM 6221 C C6 . NAG L 3 . ? -13.149 56.289 -11.906 1.00 48.05 ? 802 NAG B C6 1 HETATM 6222 C C7 . NAG L 3 . ? -12.187 51.953 -6.905 1.00 35.84 ? 802 NAG B C7 1 HETATM 6223 C C8 . NAG L 3 . ? -11.530 51.647 -5.593 1.00 34.63 ? 802 NAG B C8 1 HETATM 6224 N N2 . NAG L 3 . ? -11.730 53.013 -7.561 1.00 36.44 ? 802 NAG B N2 1 HETATM 6225 O O3 . NAG L 3 . ? -10.474 52.563 -10.141 1.00 42.10 ? 802 NAG B O3 1 HETATM 6226 O O4 . NAG L 3 . ? -10.553 54.989 -11.752 1.00 44.99 ? 802 NAG B O4 1 HETATM 6227 O O5 . NAG L 3 . ? -13.698 55.032 -9.924 1.00 40.37 ? 802 NAG B O5 1 HETATM 6228 O O6 . NAG L 3 . ? -12.554 57.568 -11.987 1.00 50.43 ? 802 NAG B O6 1 HETATM 6229 O O7 . NAG L 3 . ? -13.101 51.249 -7.331 1.00 35.83 ? 802 NAG B O7 1 HETATM 6230 C C1 . NAG M 3 . ? -43.663 41.490 36.741 1.00 19.77 ? 803 NAG B C1 1 HETATM 6231 C C2 . NAG M 3 . ? -44.716 41.933 37.759 1.00 22.50 ? 803 NAG B C2 1 HETATM 6232 C C3 . NAG M 3 . ? -44.180 41.845 39.185 1.00 26.77 ? 803 NAG B C3 1 HETATM 6233 C C4 . NAG M 3 . ? -43.523 40.499 39.461 1.00 30.29 ? 803 NAG B C4 1 HETATM 6234 C C5 . NAG M 3 . ? -42.577 40.113 38.331 1.00 27.33 ? 803 NAG B C5 1 HETATM 6235 C C6 . NAG M 3 . ? -42.038 38.698 38.521 1.00 30.55 ? 803 NAG B C6 1 HETATM 6236 C C7 . NAG M 3 . ? -46.298 43.525 36.869 1.00 24.42 ? 803 NAG B C7 1 HETATM 6237 C C8 . NAG M 3 . ? -46.685 44.962 36.663 1.00 25.27 ? 803 NAG B C8 1 HETATM 6238 N N2 . NAG M 3 . ? -45.159 43.290 37.511 1.00 23.04 ? 803 NAG B N2 1 HETATM 6239 O O3 . NAG M 3 . ? -45.223 42.066 40.112 1.00 27.57 ? 803 NAG B O3 1 HETATM 6240 O O4 . NAG M 3 . ? -42.792 40.598 40.663 1.00 37.52 ? 803 NAG B O4 1 HETATM 6241 O O5 . NAG M 3 . ? -43.241 40.186 37.086 1.00 23.30 ? 803 NAG B O5 1 HETATM 6242 O O6 . NAG M 3 . ? -43.098 37.774 38.405 1.00 34.04 ? 803 NAG B O6 1 HETATM 6243 O O7 . NAG M 3 . ? -47.015 42.617 36.452 1.00 26.03 ? 803 NAG B O7 1 HETATM 6244 C C1 . ZMR N 4 . ? -29.399 40.571 21.215 1.00 9.21 ? 901 ZMR B C1 1 HETATM 6245 O O1A . ZMR N 4 . ? -28.254 40.395 21.292 1.00 9.11 ? 901 ZMR B O1A 1 HETATM 6246 O O1B . ZMR N 4 . ? -30.055 41.642 21.642 1.00 12.13 ? 901 ZMR B O1B 1 HETATM 6247 C C2 . ZMR N 4 . ? -30.210 39.591 20.450 1.00 9.72 ? 901 ZMR B C2 1 HETATM 6248 C C3 . ZMR N 4 . ? -31.601 39.968 19.944 1.00 8.82 ? 901 ZMR B C3 1 HETATM 6249 C C4 . ZMR N 4 . ? -32.328 38.873 19.208 1.00 7.10 ? 901 ZMR B C4 1 HETATM 6250 C C5 . ZMR N 4 . ? -31.667 37.543 19.190 1.00 7.72 ? 901 ZMR B C5 1 HETATM 6251 N N5 . ZMR N 4 . ? -32.234 36.720 18.168 1.00 7.67 ? 901 ZMR B N5 1 HETATM 6252 C C10 . ZMR N 4 . ? -33.175 35.702 18.441 1.00 9.29 ? 901 ZMR B C10 1 HETATM 6253 O O10 . ZMR N 4 . ? -33.638 35.493 19.463 1.00 10.14 ? 901 ZMR B O10 1 HETATM 6254 C C11 . ZMR N 4 . ? -33.750 35.045 17.227 1.00 9.99 ? 901 ZMR B C11 1 HETATM 6255 C C6 . ZMR N 4 . ? -30.175 37.561 19.124 1.00 8.69 ? 901 ZMR B C6 1 HETATM 6256 O O6 . ZMR N 4 . ? -29.521 38.478 19.942 1.00 9.84 ? 901 ZMR B O6 1 HETATM 6257 C C7 . ZMR N 4 . ? -29.503 36.225 19.350 1.00 9.11 ? 901 ZMR B C7 1 HETATM 6258 O O7 . ZMR N 4 . ? -29.656 35.826 20.623 1.00 11.62 ? 901 ZMR B O7 1 HETATM 6259 C C8 . ZMR N 4 . ? -28.045 36.330 19.001 1.00 9.19 ? 901 ZMR B C8 1 HETATM 6260 O O8 . ZMR N 4 . ? -27.857 36.846 17.769 1.00 9.96 ? 901 ZMR B O8 1 HETATM 6261 C C9 . ZMR N 4 . ? -27.418 34.984 19.199 1.00 11.01 ? 901 ZMR B C9 1 HETATM 6262 O O9 . ZMR N 4 . ? -27.791 34.078 18.258 1.00 10.91 ? 901 ZMR B O9 1 HETATM 6263 N NE . ZMR N 4 . ? -33.737 38.882 19.401 1.00 8.09 ? 901 ZMR B NE 1 HETATM 6264 C CZ . ZMR N 4 . ? -34.741 38.638 18.433 1.00 7.51 ? 901 ZMR B CZ 1 HETATM 6265 N NH1 . ZMR N 4 . ? -34.452 38.760 17.184 1.00 7.77 ? 901 ZMR B NH1 1 HETATM 6266 N NH2 . ZMR N 4 . ? -35.976 38.440 18.814 1.00 8.56 ? 901 ZMR B NH2 1 HETATM 6267 C C1 . GOL O 5 . ? -47.152 58.699 14.764 1.00 30.15 ? 1 GOL B C1 1 HETATM 6268 O O1 . GOL O 5 . ? -47.203 59.233 13.461 1.00 32.32 ? 1 GOL B O1 1 HETATM 6269 C C2 . GOL O 5 . ? -46.395 59.655 15.672 1.00 27.86 ? 1 GOL B C2 1 HETATM 6270 O O2 . GOL O 5 . ? -45.176 59.049 16.002 1.00 28.60 ? 1 GOL B O2 1 HETATM 6271 C C3 . GOL O 5 . ? -47.161 59.893 16.966 1.00 25.85 ? 1 GOL B C3 1 HETATM 6272 O O3 . GOL O 5 . ? -47.207 58.713 17.739 1.00 20.94 ? 1 GOL B O3 1 HETATM 6273 C C1 . GOL P 5 . ? -35.370 47.531 -0.437 1.00 21.73 ? 472 GOL B C1 1 HETATM 6274 O O1 . GOL P 5 . ? -36.680 47.540 0.091 1.00 17.06 ? 472 GOL B O1 1 HETATM 6275 C C2 . GOL P 5 . ? -35.355 46.760 -1.755 1.00 25.90 ? 472 GOL B C2 1 HETATM 6276 O O2 . GOL P 5 . ? -35.565 47.626 -2.849 1.00 24.67 ? 472 GOL B O2 1 HETATM 6277 C C3 . GOL P 5 . ? -34.021 46.052 -1.923 1.00 28.35 ? 472 GOL B C3 1 HETATM 6278 O O3 . GOL P 5 . ? -32.971 46.977 -2.011 1.00 28.60 ? 472 GOL B O3 1 HETATM 6279 O O . HOH Q 6 . ? -35.191 22.403 53.380 1.00 10.49 ? 4 HOH A O 1 HETATM 6280 O O . HOH Q 6 . ? -29.655 14.715 39.289 1.00 9.66 ? 5 HOH A O 1 HETATM 6281 O O . HOH Q 6 . ? -29.084 13.043 49.666 1.00 9.59 ? 12 HOH A O 1 HETATM 6282 O O . HOH Q 6 . ? -8.093 23.088 50.496 1.00 11.31 ? 13 HOH A O 1 HETATM 6283 O O . HOH Q 6 . ? -17.655 1.624 56.223 1.00 8.52 ? 14 HOH A O 1 HETATM 6284 O O . HOH Q 6 . ? -22.823 -5.465 42.925 1.00 8.46 ? 15 HOH A O 1 HETATM 6285 O O . HOH Q 6 . ? -6.572 5.304 58.772 1.00 9.63 ? 18 HOH A O 1 HETATM 6286 O O . HOH Q 6 . ? -20.596 14.752 47.375 1.00 9.60 ? 19 HOH A O 1 HETATM 6287 O O . HOH Q 6 . ? -33.707 14.134 50.956 1.00 11.21 ? 20 HOH A O 1 HETATM 6288 O O . HOH Q 6 . ? -28.513 18.625 44.871 1.00 9.65 ? 22 HOH A O 1 HETATM 6289 O O . HOH Q 6 . ? -17.438 18.650 54.939 1.00 10.08 ? 26 HOH A O 1 HETATM 6290 O O . HOH Q 6 . ? -15.024 14.994 56.855 1.00 9.00 ? 28 HOH A O 1 HETATM 6291 O O . HOH Q 6 . ? -21.490 12.062 40.433 1.00 9.09 ? 29 HOH A O 1 HETATM 6292 O O . HOH Q 6 . ? -6.726 2.936 61.118 1.00 10.52 ? 30 HOH A O 1 HETATM 6293 O O . HOH Q 6 . ? -16.818 17.108 57.208 1.00 10.69 ? 31 HOH A O 1 HETATM 6294 O O . HOH Q 6 . ? -31.723 13.669 48.984 1.00 9.71 ? 36 HOH A O 1 HETATM 6295 O O . HOH Q 6 . ? -25.956 11.437 58.262 1.00 10.72 ? 37 HOH A O 1 HETATM 6296 O O . HOH Q 6 . ? -19.656 17.540 57.759 1.00 12.30 ? 38 HOH A O 1 HETATM 6297 O O . HOH Q 6 . ? -23.356 12.970 61.483 1.00 11.15 ? 46 HOH A O 1 HETATM 6298 O O . HOH Q 6 . ? -16.544 16.614 46.067 1.00 10.21 ? 49 HOH A O 1 HETATM 6299 O O . HOH Q 6 . ? -13.583 -1.410 49.364 1.00 11.50 ? 50 HOH A O 1 HETATM 6300 O O . HOH Q 6 . ? -34.236 14.354 45.159 1.00 11.65 ? 52 HOH A O 1 HETATM 6301 O O . HOH Q 6 . ? -25.281 13.753 59.532 1.00 12.20 ? 53 HOH A O 1 HETATM 6302 O O . HOH Q 6 . ? -19.775 1.812 52.452 1.00 10.37 ? 56 HOH A O 1 HETATM 6303 O O . HOH Q 6 . ? -30.134 17.722 55.706 1.00 11.64 ? 57 HOH A O 1 HETATM 6304 O O . HOH Q 6 . ? -15.309 17.031 64.294 1.00 13.41 ? 58 HOH A O 1 HETATM 6305 O O . HOH Q 6 . ? -11.681 -3.491 59.737 1.00 10.11 ? 60 HOH A O 1 HETATM 6306 O O . HOH Q 6 . ? -14.863 33.005 47.747 1.00 11.13 ? 61 HOH A O 1 HETATM 6307 O O . HOH Q 6 . ? -31.441 12.455 46.276 1.00 10.89 ? 65 HOH A O 1 HETATM 6308 O O . HOH Q 6 . ? -13.366 7.496 55.426 1.00 10.68 ? 66 HOH A O 1 HETATM 6309 O O . HOH Q 6 . ? -20.565 22.091 48.891 1.00 14.41 ? 69 HOH A O 1 HETATM 6310 O O . HOH Q 6 . ? -23.535 15.224 38.926 1.00 10.48 ? 70 HOH A O 1 HETATM 6311 O O . HOH Q 6 . ? -24.963 4.103 57.433 1.00 10.99 ? 71 HOH A O 1 HETATM 6312 O O . HOH Q 6 . ? -7.404 24.554 44.032 1.00 10.19 ? 73 HOH A O 1 HETATM 6313 O O . HOH Q 6 . ? -2.837 9.801 66.625 1.00 15.21 ? 79 HOH A O 1 HETATM 6314 O O . HOH Q 6 . ? -27.467 34.321 39.714 1.00 12.97 ? 80 HOH A O 1 HETATM 6315 O O . HOH Q 6 . ? -37.385 25.365 52.914 1.00 11.91 ? 81 HOH A O 1 HETATM 6316 O O . HOH Q 6 . ? -14.962 34.682 38.137 1.00 25.95 ? 307 HOH A O 1 HETATM 6317 O O . HOH Q 6 . ? -40.194 2.208 34.954 1.00 30.32 ? 386 HOH A O 1 HETATM 6318 O O . HOH Q 6 . ? -34.712 25.417 52.641 1.00 9.98 ? 473 HOH A O 1 HETATM 6319 O O . HOH Q 6 . ? -25.355 6.155 65.642 1.00 30.89 ? 474 HOH A O 1 HETATM 6320 O O . HOH Q 6 . ? -23.659 38.308 47.071 1.00 27.76 ? 475 HOH A O 1 HETATM 6321 O O . HOH Q 6 . ? -30.810 35.412 40.477 1.00 31.13 ? 476 HOH A O 1 HETATM 6322 O O . HOH Q 6 . ? -3.229 7.160 67.306 1.00 27.71 ? 477 HOH A O 1 HETATM 6323 O O . HOH Q 6 . ? -13.495 28.308 56.840 1.00 29.00 ? 478 HOH A O 1 HETATM 6324 O O . HOH Q 6 . ? -6.684 6.801 72.169 1.00 45.10 ? 479 HOH A O 1 HETATM 6325 O O . HOH Q 6 . ? -45.990 5.544 35.096 1.00 35.11 ? 480 HOH A O 1 HETATM 6326 O O . HOH Q 6 . ? -39.281 -6.077 36.326 1.00 37.14 ? 481 HOH A O 1 HETATM 6327 O O . HOH Q 6 . ? -44.486 17.203 58.557 1.00 23.94 ? 482 HOH A O 1 HETATM 6328 O O . HOH Q 6 . ? -21.574 15.959 59.027 1.00 12.29 ? 483 HOH A O 1 HETATM 6329 O O . HOH Q 6 . ? -37.728 19.615 30.651 1.00 29.48 ? 484 HOH A O 1 HETATM 6330 O O . HOH Q 6 . ? -27.062 13.446 26.067 1.00 13.03 ? 485 HOH A O 1 HETATM 6331 O O . HOH Q 6 . ? -34.383 23.960 58.807 1.00 30.42 ? 486 HOH A O 1 HETATM 6332 O O . HOH Q 6 . ? -38.201 3.116 27.237 1.00 30.47 ? 487 HOH A O 1 HETATM 6333 O O . HOH Q 6 . ? -8.712 19.416 57.024 1.00 10.06 ? 488 HOH A O 1 HETATM 6334 O O . HOH Q 6 . ? -26.900 1.948 50.779 1.00 10.01 ? 489 HOH A O 1 HETATM 6335 O O . HOH Q 6 . ? -5.656 11.843 34.735 1.00 31.66 ? 490 HOH A O 1 HETATM 6336 O O . HOH Q 6 . ? -32.069 37.596 49.834 1.00 26.49 ? 491 HOH A O 1 HETATM 6337 O O . HOH Q 6 . ? -51.790 12.308 56.019 1.00 49.41 ? 492 HOH A O 1 HETATM 6338 O O . HOH Q 6 . ? -23.023 25.428 43.286 1.00 13.14 ? 493 HOH A O 1 HETATM 6339 O O . HOH Q 6 . ? -39.812 -0.011 49.973 1.00 36.81 ? 494 HOH A O 1 HETATM 6340 O O . HOH Q 6 . ? -23.461 10.293 61.689 1.00 14.00 ? 495 HOH A O 1 HETATM 6341 O O . HOH Q 6 . ? -49.559 22.368 51.225 1.00 35.98 ? 496 HOH A O 1 HETATM 6342 O O . HOH Q 6 . ? -23.256 38.806 39.675 1.00 37.30 ? 497 HOH A O 1 HETATM 6343 O O . HOH Q 6 . ? -23.903 7.947 68.966 1.00 32.38 ? 498 HOH A O 1 HETATM 6344 O O . HOH Q 6 . ? -7.762 -0.982 39.414 1.00 39.35 ? 499 HOH A O 1 HETATM 6345 O O . HOH Q 6 . ? -2.612 1.710 43.274 1.00 31.57 ? 500 HOH A O 1 HETATM 6346 O O . HOH Q 6 . ? -38.959 -2.035 46.728 1.00 33.62 ? 501 HOH A O 1 HETATM 6347 O O . HOH Q 6 . ? -35.679 11.340 30.162 1.00 14.75 ? 502 HOH A O 1 HETATM 6348 O O . HOH Q 6 . ? -40.100 32.700 53.839 1.00 36.88 ? 503 HOH A O 1 HETATM 6349 O O . HOH Q 6 . ? -46.613 9.982 49.873 1.00 26.72 ? 504 HOH A O 1 HETATM 6350 O O . HOH Q 6 . ? -35.258 29.836 48.093 1.00 11.09 ? 505 HOH A O 1 HETATM 6351 O O . HOH Q 6 . ? -6.737 13.502 36.622 1.00 27.82 ? 506 HOH A O 1 HETATM 6352 O O . HOH Q 6 . ? -33.798 21.902 47.813 1.00 10.37 ? 507 HOH A O 1 HETATM 6353 O O . HOH Q 6 . ? -22.660 13.739 35.332 1.00 14.29 ? 508 HOH A O 1 HETATM 6354 O O . HOH Q 6 . ? -16.907 14.853 25.468 1.00 11.35 ? 509 HOH A O 1 HETATM 6355 O O . HOH Q 6 . ? -34.075 19.233 60.996 1.00 33.98 ? 510 HOH A O 1 HETATM 6356 O O . HOH Q 6 . ? -33.001 -7.679 49.084 1.00 15.99 ? 511 HOH A O 1 HETATM 6357 O O . HOH Q 6 . ? -10.894 9.175 62.964 1.00 11.58 ? 512 HOH A O 1 HETATM 6358 O O . HOH Q 6 . ? -23.897 1.637 60.049 1.00 16.13 ? 513 HOH A O 1 HETATM 6359 O O . HOH Q 6 . ? -38.036 18.161 45.564 1.00 12.03 ? 514 HOH A O 1 HETATM 6360 O O . HOH Q 6 . ? -23.427 23.232 41.752 1.00 10.78 ? 515 HOH A O 1 HETATM 6361 O O . HOH Q 6 . ? -4.690 20.245 50.645 1.00 11.59 ? 516 HOH A O 1 HETATM 6362 O O . HOH Q 6 . ? -21.023 20.299 23.839 1.00 13.51 ? 517 HOH A O 1 HETATM 6363 O O . HOH Q 6 . ? -37.836 35.714 48.078 1.00 34.09 ? 518 HOH A O 1 HETATM 6364 O O . HOH Q 6 . ? -10.984 -1.348 42.955 1.00 14.48 ? 519 HOH A O 1 HETATM 6365 O O . HOH Q 6 . ? -22.484 24.333 45.784 1.00 12.03 ? 520 HOH A O 1 HETATM 6366 O O . HOH Q 6 . ? -24.286 16.000 58.310 1.00 11.20 ? 521 HOH A O 1 HETATM 6367 O O . HOH Q 6 . ? -22.434 19.666 59.839 1.00 38.55 ? 522 HOH A O 1 HETATM 6368 O O . HOH Q 6 . ? -20.279 34.938 28.520 1.00 35.63 ? 523 HOH A O 1 HETATM 6369 O O . HOH Q 6 . ? -22.155 26.852 21.618 1.00 14.58 ? 524 HOH A O 1 HETATM 6370 O O . HOH Q 6 . ? -22.356 19.368 35.408 1.00 11.92 ? 525 HOH A O 1 HETATM 6371 O O . HOH Q 6 . ? -42.511 20.984 43.862 1.00 15.44 ? 526 HOH A O 1 HETATM 6372 O O . HOH Q 6 . ? -30.994 17.751 58.381 1.00 15.69 ? 527 HOH A O 1 HETATM 6373 O O . HOH Q 6 . ? -10.772 -1.273 49.273 1.00 18.21 ? 528 HOH A O 1 HETATM 6374 O O . HOH Q 6 . ? -33.094 9.719 62.325 1.00 31.83 ? 529 HOH A O 1 HETATM 6375 O O . HOH Q 6 . ? -43.818 28.348 58.032 1.00 34.43 ? 530 HOH A O 1 HETATM 6376 O O . HOH Q 6 . ? -15.623 3.568 45.937 1.00 23.39 ? 531 HOH A O 1 HETATM 6377 O O . HOH Q 6 . ? -21.791 2.469 65.668 1.00 14.53 ? 532 HOH A O 1 HETATM 6378 O O . HOH Q 6 . ? -15.804 -3.070 49.898 1.00 11.72 ? 533 HOH A O 1 HETATM 6379 O O . HOH Q 6 . ? -2.490 31.253 44.997 1.00 12.76 ? 534 HOH A O 1 HETATM 6380 O O . HOH Q 6 . ? -6.967 16.291 35.621 1.00 13.54 ? 535 HOH A O 1 HETATM 6381 O O . HOH Q 6 . ? -8.675 10.401 37.629 1.00 13.96 ? 536 HOH A O 1 HETATM 6382 O O . HOH Q 6 . ? -15.958 25.198 24.103 1.00 15.09 ? 537 HOH A O 1 HETATM 6383 O O . HOH Q 6 . ? -33.190 16.347 27.592 1.00 15.70 ? 538 HOH A O 1 HETATM 6384 O O . HOH Q 6 . ? -6.576 40.830 41.966 1.00 47.03 ? 539 HOH A O 1 HETATM 6385 O O . HOH Q 6 . ? -12.792 19.164 27.110 1.00 13.86 ? 540 HOH A O 1 HETATM 6386 O O . HOH Q 6 . ? -2.852 6.218 42.588 1.00 31.88 ? 541 HOH A O 1 HETATM 6387 O O . HOH Q 6 . ? -31.934 20.118 59.561 1.00 40.31 ? 542 HOH A O 1 HETATM 6388 O O . HOH Q 6 . ? -5.819 39.145 44.009 1.00 33.41 ? 543 HOH A O 1 HETATM 6389 O O . HOH Q 6 . ? -45.577 22.989 52.720 1.00 47.38 ? 544 HOH A O 1 HETATM 6390 O O . HOH Q 6 . ? -17.230 11.729 33.331 1.00 14.95 ? 545 HOH A O 1 HETATM 6391 O O . HOH Q 6 . ? -48.917 13.298 49.504 1.00 30.62 ? 546 HOH A O 1 HETATM 6392 O O . HOH Q 6 . ? -7.469 27.257 44.944 1.00 13.78 ? 547 HOH A O 1 HETATM 6393 O O . HOH Q 6 . ? -11.628 28.729 53.262 1.00 14.89 ? 548 HOH A O 1 HETATM 6394 O O . HOH Q 6 . ? -21.506 8.920 23.167 1.00 16.20 ? 549 HOH A O 1 HETATM 6395 O O . HOH Q 6 . ? -12.584 20.831 29.447 1.00 12.28 ? 550 HOH A O 1 HETATM 6396 O O . HOH Q 6 . ? -35.237 31.381 54.965 1.00 26.93 ? 551 HOH A O 1 HETATM 6397 O O . HOH Q 6 . ? -35.044 -0.871 42.246 1.00 20.19 ? 552 HOH A O 1 HETATM 6398 O O . HOH Q 6 . ? -4.626 0.406 42.507 1.00 42.31 ? 553 HOH A O 1 HETATM 6399 O O . HOH Q 6 . ? -21.681 28.403 51.860 1.00 16.73 ? 554 HOH A O 1 HETATM 6400 O O . HOH Q 6 . ? -41.887 13.990 52.909 1.00 14.16 ? 555 HOH A O 1 HETATM 6401 O O . HOH Q 6 . ? -7.093 8.111 36.752 1.00 32.98 ? 556 HOH A O 1 HETATM 6402 O O . HOH Q 6 . ? -23.314 32.899 27.093 1.00 33.75 ? 557 HOH A O 1 HETATM 6403 O O . HOH Q 6 . ? -4.362 16.758 38.701 1.00 39.20 ? 558 HOH A O 1 HETATM 6404 O O . HOH Q 6 . ? -19.290 7.792 68.320 1.00 15.58 ? 559 HOH A O 1 HETATM 6405 O O . HOH Q 6 . ? -2.280 7.333 64.682 1.00 16.04 ? 560 HOH A O 1 HETATM 6406 O O . HOH Q 6 . ? -10.172 21.764 59.386 1.00 30.26 ? 561 HOH A O 1 HETATM 6407 O O . HOH Q 6 . ? -21.928 9.236 30.109 1.00 15.74 ? 562 HOH A O 1 HETATM 6408 O O . HOH Q 6 . ? -18.392 2.472 46.459 1.00 14.61 ? 563 HOH A O 1 HETATM 6409 O O . HOH Q 6 . ? -38.939 32.334 56.405 1.00 26.95 ? 564 HOH A O 1 HETATM 6410 O O . HOH Q 6 . ? -4.199 26.733 58.486 1.00 48.67 ? 565 HOH A O 1 HETATM 6411 O O . HOH Q 6 . ? -9.154 -1.031 51.252 1.00 15.88 ? 566 HOH A O 1 HETATM 6412 O O . HOH Q 6 . ? -14.849 25.631 57.470 1.00 17.65 ? 567 HOH A O 1 HETATM 6413 O O . HOH Q 6 . ? -37.440 -1.161 41.052 1.00 18.15 ? 568 HOH A O 1 HETATM 6414 O O . HOH Q 6 . ? -3.689 0.162 62.499 1.00 14.42 ? 569 HOH A O 1 HETATM 6415 O O . HOH Q 6 . ? -38.896 5.287 59.945 1.00 42.59 ? 570 HOH A O 1 HETATM 6416 O O . HOH Q 6 . ? -25.429 3.970 60.408 1.00 19.72 ? 571 HOH A O 1 HETATM 6417 O O . HOH Q 6 . ? -39.716 8.806 53.647 1.00 33.85 ? 572 HOH A O 1 HETATM 6418 O O . HOH Q 6 . ? -7.091 18.023 63.675 1.00 17.44 ? 573 HOH A O 1 HETATM 6419 O O . HOH Q 6 . ? -26.781 38.741 39.860 1.00 53.02 ? 574 HOH A O 1 HETATM 6420 O O . HOH Q 6 . ? -28.738 -1.779 57.607 1.00 17.03 ? 575 HOH A O 1 HETATM 6421 O O . HOH Q 6 . ? -38.893 4.822 34.068 1.00 19.37 ? 576 HOH A O 1 HETATM 6422 O O . HOH Q 6 . ? -43.783 6.889 35.376 1.00 28.52 ? 577 HOH A O 1 HETATM 6423 O O . HOH Q 6 . ? -24.069 23.336 55.449 1.00 15.80 ? 578 HOH A O 1 HETATM 6424 O O . HOH Q 6 . ? -38.233 -3.094 44.227 1.00 20.53 ? 579 HOH A O 1 HETATM 6425 O O . HOH Q 6 . ? -12.863 13.248 18.983 1.00 24.35 ? 580 HOH A O 1 HETATM 6426 O O . HOH Q 6 . ? -31.651 32.095 23.254 1.00 21.50 ? 581 HOH A O 1 HETATM 6427 O O . HOH Q 6 . ? -30.494 23.821 22.091 1.00 34.57 ? 582 HOH A O 1 HETATM 6428 O O . HOH Q 6 . ? -14.760 5.882 53.383 1.00 13.47 ? 583 HOH A O 1 HETATM 6429 O O . HOH Q 6 . ? -26.114 25.492 55.655 1.00 17.28 ? 584 HOH A O 1 HETATM 6430 O O . HOH Q 6 . ? -22.459 37.873 35.460 1.00 42.26 ? 585 HOH A O 1 HETATM 6431 O O . HOH Q 6 . ? -35.330 8.771 29.624 1.00 25.82 ? 586 HOH A O 1 HETATM 6432 O O . HOH Q 6 . ? -18.932 8.900 21.457 1.00 29.19 ? 587 HOH A O 1 HETATM 6433 O O . HOH Q 6 . ? -11.409 1.735 66.017 1.00 15.71 ? 588 HOH A O 1 HETATM 6434 O O . HOH Q 6 . ? -6.379 12.217 32.326 1.00 19.26 ? 589 HOH A O 1 HETATM 6435 O O . HOH Q 6 . ? -16.546 32.842 56.259 1.00 34.17 ? 590 HOH A O 1 HETATM 6436 O O . HOH Q 6 . ? -43.998 34.492 42.951 1.00 52.55 ? 591 HOH A O 1 HETATM 6437 O O . HOH Q 6 . ? -26.373 40.271 37.875 1.00 54.92 ? 592 HOH A O 1 HETATM 6438 O O . HOH Q 6 . ? -47.296 11.902 30.660 1.00 31.64 ? 593 HOH A O 1 HETATM 6439 O O . HOH Q 6 . ? -8.607 36.486 53.035 1.00 33.64 ? 594 HOH A O 1 HETATM 6440 O O . HOH Q 6 . ? -25.234 4.081 63.072 1.00 27.38 ? 595 HOH A O 1 HETATM 6441 O O . HOH Q 6 . ? -34.599 34.866 54.256 1.00 39.38 ? 596 HOH A O 1 HETATM 6442 O O . HOH Q 6 . ? -26.521 17.956 20.599 1.00 39.44 ? 597 HOH A O 1 HETATM 6443 O O . HOH Q 6 . ? -29.974 6.877 61.827 1.00 30.67 ? 598 HOH A O 1 HETATM 6444 O O . HOH Q 6 . ? -44.694 9.525 32.346 1.00 37.05 ? 599 HOH A O 1 HETATM 6445 O O . HOH Q 6 . ? -3.402 26.678 30.131 1.00 23.74 ? 600 HOH A O 1 HETATM 6446 O O . HOH Q 6 . ? -26.226 29.180 57.684 1.00 22.34 ? 602 HOH A O 1 HETATM 6447 O O . HOH Q 6 . ? -9.007 32.530 32.859 1.00 46.26 ? 603 HOH A O 1 HETATM 6448 O O . HOH Q 6 . ? -15.567 19.075 66.136 1.00 20.05 ? 604 HOH A O 1 HETATM 6449 O O . HOH Q 6 . ? -28.177 14.387 59.997 1.00 19.43 ? 605 HOH A O 1 HETATM 6450 O O . HOH Q 6 . ? -21.392 26.157 58.411 1.00 52.52 ? 606 HOH A O 1 HETATM 6451 O O . HOH Q 6 . ? -24.712 3.693 28.318 1.00 16.27 ? 607 HOH A O 1 HETATM 6452 O O . HOH Q 6 . ? -21.917 31.215 51.806 1.00 15.68 ? 608 HOH A O 1 HETATM 6453 O O . HOH Q 6 . ? -12.451 1.672 38.426 1.00 30.42 ? 609 HOH A O 1 HETATM 6454 O O . HOH Q 6 . ? -51.305 17.237 39.035 1.00 44.37 ? 610 HOH A O 1 HETATM 6455 O O . HOH Q 6 . ? -23.095 8.976 19.681 1.00 36.70 ? 611 HOH A O 1 HETATM 6456 O O . HOH Q 6 . ? -5.521 14.913 24.003 1.00 32.47 ? 612 HOH A O 1 HETATM 6457 O O . HOH Q 6 . ? -14.215 31.675 24.368 1.00 18.80 ? 613 HOH A O 1 HETATM 6458 O O . HOH Q 6 . ? -41.695 7.647 50.995 1.00 40.56 ? 614 HOH A O 1 HETATM 6459 O O . HOH Q 6 . ? -7.549 16.595 24.748 1.00 19.19 ? 615 HOH A O 1 HETATM 6460 O O . HOH Q 6 . ? -36.645 2.703 56.918 1.00 16.68 ? 616 HOH A O 1 HETATM 6461 O O . HOH Q 6 . ? -31.368 31.367 28.352 1.00 19.26 ? 617 HOH A O 1 HETATM 6462 O O . HOH Q 6 . ? -20.469 23.939 21.304 1.00 19.85 ? 618 HOH A O 1 HETATM 6463 O O . HOH Q 6 . ? -36.381 29.547 33.094 1.00 22.56 ? 619 HOH A O 1 HETATM 6464 O O . HOH Q 6 . ? -20.741 27.086 53.903 1.00 26.97 ? 620 HOH A O 1 HETATM 6465 O O . HOH Q 6 . ? -21.713 7.949 25.794 1.00 17.49 ? 621 HOH A O 1 HETATM 6466 O O . HOH Q 6 . ? -22.680 19.814 21.865 1.00 22.25 ? 622 HOH A O 1 HETATM 6467 O O . HOH Q 6 . ? -38.576 3.703 52.618 1.00 28.52 ? 623 HOH A O 1 HETATM 6468 O O . HOH Q 6 . ? -6.633 28.298 57.526 1.00 38.12 ? 624 HOH A O 1 HETATM 6469 O O . HOH Q 6 . ? -47.359 25.570 49.022 1.00 31.60 ? 625 HOH A O 1 HETATM 6470 O O . HOH Q 6 . ? -12.654 1.111 69.286 1.00 18.99 ? 626 HOH A O 1 HETATM 6471 O O . HOH Q 6 . ? -46.493 24.769 39.284 1.00 21.86 ? 627 HOH A O 1 HETATM 6472 O O . HOH Q 6 . ? -35.112 35.675 38.038 1.00 21.91 ? 628 HOH A O 1 HETATM 6473 O O . HOH Q 6 . ? -30.681 -3.275 32.254 1.00 28.40 ? 629 HOH A O 1 HETATM 6474 O O . HOH Q 6 . ? -16.480 1.493 70.636 1.00 46.50 ? 630 HOH A O 1 HETATM 6475 O O . HOH Q 6 . ? -40.841 20.697 33.476 1.00 52.62 ? 631 HOH A O 1 HETATM 6476 O O . HOH Q 6 . ? -26.152 8.832 67.653 1.00 43.81 ? 632 HOH A O 1 HETATM 6477 O O . HOH Q 6 . ? -15.801 6.301 50.728 1.00 26.90 ? 633 HOH A O 1 HETATM 6478 O O . HOH Q 6 . ? -28.541 21.756 21.642 1.00 52.39 ? 634 HOH A O 1 HETATM 6479 O O . HOH Q 6 . ? -13.283 32.446 27.875 1.00 36.49 ? 635 HOH A O 1 HETATM 6480 O O . HOH Q 6 . ? -10.911 34.991 44.059 1.00 21.77 ? 636 HOH A O 1 HETATM 6481 O O . HOH Q 6 . ? -40.408 18.104 44.263 1.00 18.61 ? 637 HOH A O 1 HETATM 6482 O O . HOH Q 6 . ? -30.052 0.954 23.883 1.00 32.04 ? 638 HOH A O 1 HETATM 6483 O O . HOH Q 6 . ? -37.969 12.537 26.091 1.00 45.46 ? 639 HOH A O 1 HETATM 6484 O O . HOH Q 6 . ? -8.047 24.064 23.057 1.00 43.19 ? 640 HOH A O 1 HETATM 6485 O O . HOH Q 6 . ? -11.416 31.667 55.298 1.00 20.32 ? 641 HOH A O 1 HETATM 6486 O O . HOH Q 6 . ? -39.733 19.526 37.130 1.00 21.59 ? 642 HOH A O 1 HETATM 6487 O O . HOH Q 6 . ? -26.263 10.944 19.394 1.00 42.59 ? 643 HOH A O 1 HETATM 6488 O O . HOH Q 6 . ? -6.052 23.410 24.556 1.00 45.73 ? 644 HOH A O 1 HETATM 6489 O O . HOH Q 6 . ? -37.720 32.863 48.041 1.00 20.71 ? 645 HOH A O 1 HETATM 6490 O O . HOH Q 6 . ? -11.948 30.308 23.984 1.00 38.30 ? 646 HOH A O 1 HETATM 6491 O O . HOH Q 6 . ? -24.041 35.971 32.068 1.00 23.79 ? 647 HOH A O 1 HETATM 6492 O O . HOH Q 6 . ? -12.169 34.232 36.991 1.00 24.16 ? 648 HOH A O 1 HETATM 6493 O O . HOH Q 6 . ? -48.795 22.548 55.159 1.00 36.77 ? 649 HOH A O 1 HETATM 6494 O O . HOH Q 6 . ? -18.290 5.760 45.557 1.00 27.95 ? 650 HOH A O 1 HETATM 6495 O O . HOH Q 6 . ? -8.572 3.693 72.477 1.00 36.39 ? 651 HOH A O 1 HETATM 6496 O O . HOH Q 6 . ? -48.950 18.867 44.719 1.00 19.52 ? 652 HOH A O 1 HETATM 6497 O O . HOH Q 6 . ? -20.228 9.244 17.148 1.00 48.51 ? 653 HOH A O 1 HETATM 6498 O O . HOH Q 6 . ? -40.782 6.314 53.515 1.00 44.62 ? 654 HOH A O 1 HETATM 6499 O O . HOH Q 6 . ? -9.128 -1.516 47.036 1.00 21.75 ? 655 HOH A O 1 HETATM 6500 O O . HOH Q 6 . ? -28.616 17.087 59.500 1.00 22.30 ? 656 HOH A O 1 HETATM 6501 O O . HOH Q 6 . ? -12.538 39.650 49.378 1.00 25.59 ? 657 HOH A O 1 HETATM 6502 O O . HOH Q 6 . ? -30.226 -1.741 60.317 1.00 33.72 ? 658 HOH A O 1 HETATM 6503 O O . HOH Q 6 . ? -7.127 9.464 72.317 1.00 45.13 ? 659 HOH A O 1 HETATM 6504 O O . HOH Q 6 . ? -40.966 30.228 53.824 1.00 23.16 ? 660 HOH A O 1 HETATM 6505 O O . HOH Q 6 . ? -18.236 20.206 66.598 1.00 35.22 ? 661 HOH A O 1 HETATM 6506 O O . HOH Q 6 . ? -9.815 6.428 34.317 1.00 33.04 ? 662 HOH A O 1 HETATM 6507 O O . HOH Q 6 . ? -6.045 5.372 67.195 1.00 19.48 ? 663 HOH A O 1 HETATM 6508 O O . HOH Q 6 . ? -21.380 38.118 48.567 1.00 26.38 ? 664 HOH A O 1 HETATM 6509 O O . HOH Q 6 . ? -44.077 13.958 60.728 1.00 51.39 ? 665 HOH A O 1 HETATM 6510 O O . HOH Q 6 . ? -20.105 17.148 69.383 1.00 30.38 ? 666 HOH A O 1 HETATM 6511 O O . HOH Q 6 . ? -41.718 -1.941 35.633 1.00 41.83 ? 667 HOH A O 1 HETATM 6512 O O . HOH Q 6 . ? -50.795 10.436 38.044 1.00 35.42 ? 668 HOH A O 1 HETATM 6513 O O . HOH Q 6 . ? -29.560 33.776 24.545 1.00 49.55 ? 669 HOH A O 1 HETATM 6514 O O . HOH Q 6 . ? -46.937 23.211 50.554 1.00 21.16 ? 670 HOH A O 1 HETATM 6515 O O . HOH Q 6 . ? -41.110 11.411 53.692 1.00 18.57 ? 671 HOH A O 1 HETATM 6516 O O . HOH Q 6 . ? -29.036 9.116 67.421 1.00 43.24 ? 672 HOH A O 1 HETATM 6517 O O . HOH Q 6 . ? -19.898 28.242 56.298 1.00 32.44 ? 673 HOH A O 1 HETATM 6518 O O . HOH Q 6 . ? -35.184 20.091 25.482 1.00 47.69 ? 674 HOH A O 1 HETATM 6519 O O . HOH Q 6 . ? -20.132 9.644 34.644 1.00 20.24 ? 675 HOH A O 1 HETATM 6520 O O . HOH Q 6 . ? -15.367 22.643 21.386 1.00 34.91 ? 676 HOH A O 1 HETATM 6521 O O . HOH Q 6 . ? -29.251 34.515 29.654 1.00 38.24 ? 677 HOH A O 1 HETATM 6522 O O . HOH Q 6 . ? -1.389 26.060 31.915 1.00 29.65 ? 678 HOH A O 1 HETATM 6523 O O . HOH Q 6 . ? -34.581 3.211 27.678 1.00 24.90 ? 679 HOH A O 1 HETATM 6524 O O . HOH Q 6 . ? -32.357 -8.855 55.833 1.00 22.45 ? 680 HOH A O 1 HETATM 6525 O O . HOH Q 6 . ? -37.022 31.378 34.993 1.00 34.89 ? 681 HOH A O 1 HETATM 6526 O O . HOH Q 6 . ? -20.883 20.025 56.929 1.00 18.46 ? 682 HOH A O 1 HETATM 6527 O O . HOH Q 6 . ? -22.719 22.295 17.895 1.00 33.53 ? 683 HOH A O 1 HETATM 6528 O O . HOH Q 6 . ? -14.581 5.064 47.795 1.00 41.07 ? 684 HOH A O 1 HETATM 6529 O O . HOH Q 6 . ? -20.292 38.466 37.445 1.00 42.74 ? 685 HOH A O 1 HETATM 6530 O O . HOH Q 6 . ? -13.131 28.073 19.239 1.00 32.35 ? 686 HOH A O 1 HETATM 6531 O O . HOH Q 6 . ? -29.448 -4.792 55.932 1.00 20.98 ? 687 HOH A O 1 HETATM 6532 O O . HOH Q 6 . ? -34.584 33.145 34.787 1.00 31.27 ? 688 HOH A O 1 HETATM 6533 O O . HOH Q 6 . ? -41.872 -0.254 43.927 1.00 23.41 ? 689 HOH A O 1 HETATM 6534 O O . HOH Q 6 . ? -39.100 11.413 59.585 1.00 19.82 ? 690 HOH A O 1 HETATM 6535 O O . HOH Q 6 . ? -25.706 22.513 60.962 1.00 56.47 ? 691 HOH A O 1 HETATM 6536 O O . HOH Q 6 . ? -5.524 22.940 27.274 1.00 23.23 ? 692 HOH A O 1 HETATM 6537 O O . HOH Q 6 . ? -42.930 26.287 34.265 1.00 49.27 ? 693 HOH A O 1 HETATM 6538 O O . HOH Q 6 . ? -22.536 24.275 48.557 1.00 15.55 ? 694 HOH A O 1 HETATM 6539 O O . HOH Q 6 . ? -24.323 35.962 54.350 1.00 44.49 ? 695 HOH A O 1 HETATM 6540 O O . HOH Q 6 . ? -34.492 17.439 25.451 1.00 28.83 ? 696 HOH A O 1 HETATM 6541 O O . HOH Q 6 . ? -28.733 -0.986 32.408 1.00 35.19 ? 697 HOH A O 1 HETATM 6542 O O . HOH Q 6 . ? -11.638 5.720 31.379 1.00 39.79 ? 698 HOH A O 1 HETATM 6543 O O . HOH Q 6 . ? -30.731 27.656 22.797 1.00 20.99 ? 699 HOH A O 1 HETATM 6544 O O . HOH Q 6 . ? -26.041 18.072 59.105 1.00 19.10 ? 700 HOH A O 1 HETATM 6545 O O . HOH Q 6 . ? -13.390 17.196 69.190 1.00 36.09 ? 701 HOH A O 1 HETATM 6546 O O . HOH Q 6 . ? -5.842 16.614 67.522 1.00 29.58 ? 702 HOH A O 1 HETATM 6547 O O . HOH Q 6 . ? -11.825 21.034 57.236 1.00 18.01 ? 703 HOH A O 1 HETATM 6548 O O . HOH Q 6 . ? -43.287 9.987 30.136 1.00 23.30 ? 704 HOH A O 1 HETATM 6549 O O . HOH Q 6 . ? -51.826 13.781 50.055 1.00 42.49 ? 705 HOH A O 1 HETATM 6550 O O . HOH Q 6 . ? -21.783 6.521 67.703 1.00 24.26 ? 706 HOH A O 1 HETATM 6551 O O . HOH Q 6 . ? -27.099 -1.272 21.090 1.00 58.04 ? 707 HOH A O 1 HETATM 6552 O O . HOH Q 6 . ? -35.440 18.711 29.508 1.00 27.38 ? 708 HOH A O 1 HETATM 6553 O O . HOH Q 6 . ? -2.910 18.034 29.869 1.00 34.20 ? 709 HOH A O 1 HETATM 6554 O O . HOH Q 6 . ? -6.147 4.776 35.945 1.00 48.05 ? 710 HOH A O 1 HETATM 6555 O O . HOH Q 6 . ? -18.473 -2.621 40.877 1.00 39.26 ? 711 HOH A O 1 HETATM 6556 O O . HOH Q 6 . ? -6.752 16.236 38.303 1.00 24.60 ? 712 HOH A O 1 HETATM 6557 O O . HOH Q 6 . ? -16.947 24.817 19.959 1.00 22.34 ? 713 HOH A O 1 HETATM 6558 O O . HOH Q 6 . ? -13.668 -0.596 34.285 1.00 36.12 ? 714 HOH A O 1 HETATM 6559 O O . HOH Q 6 . ? -28.909 14.362 20.746 1.00 37.88 ? 715 HOH A O 1 HETATM 6560 O O . HOH Q 6 . ? -47.131 40.672 50.464 1.00 50.80 ? 716 HOH A O 1 HETATM 6561 O O . HOH Q 6 . ? -44.172 9.209 53.044 1.00 36.14 ? 717 HOH A O 1 HETATM 6562 O O . HOH Q 6 . ? -9.021 27.266 57.094 1.00 19.67 ? 718 HOH A O 1 HETATM 6563 O O . HOH Q 6 . ? -10.956 15.054 18.375 1.00 28.55 ? 719 HOH A O 1 HETATM 6564 O O . HOH Q 6 . ? -12.273 34.774 54.486 1.00 20.63 ? 720 HOH A O 1 HETATM 6565 O O . HOH Q 6 . ? -2.628 18.786 38.359 1.00 27.72 ? 721 HOH A O 1 HETATM 6566 O O . HOH Q 6 . ? -26.789 21.431 23.627 1.00 19.21 ? 722 HOH A O 1 HETATM 6567 O O . HOH Q 6 . ? -30.808 6.725 64.142 1.00 32.40 ? 723 HOH A O 1 HETATM 6568 O O . HOH Q 6 . ? -5.793 2.511 42.265 1.00 38.39 ? 724 HOH A O 1 HETATM 6569 O O . HOH Q 6 . ? -28.675 35.677 41.605 1.00 30.22 ? 725 HOH A O 1 HETATM 6570 O O . HOH Q 6 . ? -17.201 34.232 36.837 1.00 40.48 ? 726 HOH A O 1 HETATM 6571 O O . HOH Q 6 . ? -37.468 9.796 61.171 1.00 28.28 ? 727 HOH A O 1 HETATM 6572 O O . HOH Q 6 . ? -38.664 27.347 58.057 1.00 22.13 ? 728 HOH A O 1 HETATM 6573 O O . HOH Q 6 . ? -47.607 12.027 54.177 1.00 23.42 ? 729 HOH A O 1 HETATM 6574 O O . HOH Q 6 . ? -28.469 34.854 54.312 1.00 33.63 ? 730 HOH A O 1 HETATM 6575 O O . HOH Q 6 . ? -32.555 25.586 59.670 1.00 46.01 ? 731 HOH A O 1 HETATM 6576 O O . HOH Q 6 . ? -40.875 16.057 29.935 1.00 33.37 ? 732 HOH A O 1 HETATM 6577 O O . HOH Q 6 . ? -22.423 11.997 16.751 1.00 36.32 ? 733 HOH A O 1 HETATM 6578 O O . HOH Q 6 . ? -6.950 35.689 50.802 1.00 31.40 ? 734 HOH A O 1 HETATM 6579 O O . HOH Q 6 . ? -40.988 29.534 58.396 1.00 25.15 ? 735 HOH A O 1 HETATM 6580 O O . HOH Q 6 . ? -21.469 28.211 24.883 1.00 38.07 ? 736 HOH A O 1 HETATM 6581 O O . HOH Q 6 . ? -48.815 7.364 45.425 1.00 26.44 ? 737 HOH A O 1 HETATM 6582 O O . HOH Q 6 . ? -6.005 5.142 41.972 1.00 17.45 ? 738 HOH A O 1 HETATM 6583 O O . HOH Q 6 . ? -0.887 16.292 69.743 1.00 24.23 ? 739 HOH A O 1 HETATM 6584 O O . HOH Q 6 . ? -19.197 21.891 59.633 1.00 23.91 ? 740 HOH A O 1 HETATM 6585 O O . HOH Q 6 . ? -37.239 10.524 27.572 1.00 33.37 ? 741 HOH A O 1 HETATM 6586 O O . HOH Q 6 . ? -7.959 38.221 38.664 1.00 37.50 ? 742 HOH A O 1 HETATM 6587 O O . HOH Q 6 . ? -3.925 20.330 26.849 1.00 41.83 ? 743 HOH A O 1 HETATM 6588 O O . HOH Q 6 . ? -47.140 25.311 46.407 1.00 26.66 ? 744 HOH A O 1 HETATM 6589 O O . HOH Q 6 . ? -21.926 20.522 63.164 1.00 27.90 ? 745 HOH A O 1 HETATM 6590 O O . HOH Q 6 . ? -44.337 28.839 47.334 1.00 22.56 ? 746 HOH A O 1 HETATM 6591 O O . HOH Q 6 . ? -8.299 -1.305 41.984 1.00 28.72 ? 747 HOH A O 1 HETATM 6592 O O . HOH Q 6 . ? -15.620 15.544 70.686 1.00 40.95 ? 748 HOH A O 1 HETATM 6593 O O . HOH Q 6 . ? -16.936 36.136 52.422 1.00 43.39 ? 749 HOH A O 1 HETATM 6594 O O . HOH Q 6 . ? -24.141 27.474 56.442 1.00 33.63 ? 750 HOH A O 1 HETATM 6595 O O . HOH Q 6 . ? -28.724 27.899 20.723 1.00 41.19 ? 751 HOH A O 1 HETATM 6596 O O . HOH Q 6 . ? -22.204 29.266 55.734 1.00 38.74 ? 752 HOH A O 1 HETATM 6597 O O . HOH Q 6 . ? -14.824 19.675 21.060 1.00 50.41 ? 753 HOH A O 1 HETATM 6598 O O . HOH Q 6 . ? -32.601 17.656 23.278 1.00 25.70 ? 754 HOH A O 1 HETATM 6599 O O . HOH Q 6 . ? -20.636 19.081 65.505 1.00 23.71 ? 755 HOH A O 1 HETATM 6600 O O . HOH Q 6 . ? -22.939 0.454 62.453 1.00 26.41 ? 756 HOH A O 1 HETATM 6601 O O . HOH Q 6 . ? -39.549 22.623 36.477 1.00 29.80 ? 757 HOH A O 1 HETATM 6602 O O . HOH Q 6 . ? -11.116 28.102 55.741 1.00 24.57 ? 758 HOH A O 1 HETATM 6603 O O . HOH Q 6 . ? -7.085 38.124 49.160 1.00 41.48 ? 759 HOH A O 1 HETATM 6604 O O . HOH Q 6 . ? -28.255 38.020 49.421 1.00 26.88 ? 760 HOH A O 1 HETATM 6605 O O . HOH Q 6 . ? -22.101 11.638 33.791 1.00 20.82 ? 761 HOH A O 1 HETATM 6606 O O . HOH Q 6 . ? 1.089 19.380 36.897 1.00 33.56 ? 762 HOH A O 1 HETATM 6607 O O . HOH Q 6 . ? -16.220 7.935 21.644 1.00 42.30 ? 763 HOH A O 1 HETATM 6608 O O . HOH Q 6 . ? -8.135 18.092 60.215 1.00 26.40 ? 764 HOH A O 1 HETATM 6609 O O . HOH Q 6 . ? -16.137 23.121 63.855 1.00 43.08 ? 765 HOH A O 1 HETATM 6610 O O . HOH Q 6 . ? -46.072 27.698 45.531 1.00 24.14 ? 766 HOH A O 1 HETATM 6611 O O . HOH Q 6 . ? -11.208 30.925 33.242 1.00 47.19 ? 767 HOH A O 1 HETATM 6612 O O . HOH Q 6 . ? -5.858 2.390 66.695 1.00 23.93 ? 768 HOH A O 1 HETATM 6613 O O . HOH Q 6 . ? -19.760 -6.244 61.402 1.00 28.87 ? 769 HOH A O 1 HETATM 6614 O O . HOH Q 6 . ? -34.083 38.033 45.854 1.00 24.01 ? 770 HOH A O 1 HETATM 6615 O O . HOH Q 6 . ? -27.983 35.758 24.356 1.00 51.68 ? 771 HOH A O 1 HETATM 6616 O O . HOH Q 6 . ? -39.516 30.214 38.554 1.00 38.49 ? 772 HOH A O 1 HETATM 6617 O O . HOH Q 6 . ? -20.686 13.322 30.956 1.00 24.66 ? 773 HOH A O 1 HETATM 6618 O O . HOH Q 6 . ? -46.573 27.692 42.206 1.00 33.75 ? 774 HOH A O 1 HETATM 6619 O O . HOH Q 6 . ? -17.725 34.027 53.728 1.00 31.94 ? 775 HOH A O 1 HETATM 6620 O O . HOH Q 6 . ? -5.589 0.959 39.921 1.00 34.84 ? 776 HOH A O 1 HETATM 6621 O O . HOH Q 6 . ? -24.703 -3.673 28.227 1.00 29.23 ? 777 HOH A O 1 HETATM 6622 O O . HOH Q 6 . ? -3.551 16.417 69.119 1.00 39.60 ? 778 HOH A O 1 HETATM 6623 O O . HOH Q 6 . ? -17.300 24.334 58.896 1.00 23.54 ? 779 HOH A O 1 HETATM 6624 O O . HOH Q 6 . ? -16.931 39.102 51.098 1.00 30.34 ? 780 HOH A O 1 HETATM 6625 O O . HOH Q 6 . ? -34.330 11.694 26.235 1.00 32.22 ? 781 HOH A O 1 HETATM 6626 O O . HOH Q 6 . ? -38.814 18.486 59.279 1.00 31.26 ? 782 HOH A O 1 HETATM 6627 O O . HOH Q 6 . ? -14.618 0.949 36.453 1.00 24.96 ? 783 HOH A O 1 HETATM 6628 O O . HOH Q 6 . ? -48.989 21.045 37.763 1.00 25.22 ? 784 HOH A O 1 HETATM 6629 O O . HOH Q 6 . ? -46.262 27.499 38.509 1.00 41.74 ? 785 HOH A O 1 HETATM 6630 O O . HOH Q 6 . ? -39.861 -1.622 42.356 1.00 26.25 ? 786 HOH A O 1 HETATM 6631 O O . HOH Q 6 . ? -41.450 6.021 33.731 1.00 28.45 ? 787 HOH A O 1 HETATM 6632 O O . HOH Q 6 . ? -18.484 22.475 20.178 1.00 39.21 ? 788 HOH A O 1 HETATM 6633 O O . HOH Q 6 . ? -51.554 18.900 45.441 1.00 30.15 ? 789 HOH A O 1 HETATM 6634 O O . HOH Q 6 . ? -48.430 10.447 47.583 1.00 35.75 ? 790 HOH A O 1 HETATM 6635 O O . HOH Q 6 . ? -5.222 6.349 37.790 1.00 42.88 ? 791 HOH A O 1 HETATM 6636 O O . HOH Q 6 . ? -3.584 5.564 40.037 1.00 49.29 ? 792 HOH A O 1 HETATM 6637 O O . HOH Q 6 . ? -50.486 16.583 56.213 1.00 46.76 ? 793 HOH A O 1 HETATM 6638 O O . HOH Q 6 . ? -40.687 29.286 51.381 1.00 23.90 ? 794 HOH A O 1 HETATM 6639 O O . HOH Q 6 . ? -14.630 11.559 72.309 1.00 37.28 ? 795 HOH A O 1 HETATM 6640 O O . HOH Q 6 . ? -37.558 -1.241 49.139 1.00 20.30 ? 796 HOH A O 1 HETATM 6641 O O . HOH Q 6 . ? -32.337 -5.885 33.795 1.00 45.00 ? 797 HOH A O 1 HETATM 6642 O O . HOH Q 6 . ? -1.559 4.053 43.729 1.00 37.84 ? 798 HOH A O 1 HETATM 6643 O O . HOH Q 6 . ? -29.831 35.146 32.256 1.00 35.68 ? 799 HOH A O 1 HETATM 6644 O O . HOH Q 6 . ? -7.945 8.734 30.822 1.00 31.21 ? 800 HOH A O 1 HETATM 6645 O O . HOH Q 6 . ? -15.513 33.490 31.815 1.00 37.94 ? 804 HOH A O 1 HETATM 6646 O O . HOH Q 6 . ? -36.772 1.779 60.266 1.00 49.88 ? 805 HOH A O 1 HETATM 6647 O O . HOH Q 6 . ? -44.530 11.661 53.963 1.00 27.08 ? 806 HOH A O 1 HETATM 6648 O O . HOH Q 6 . ? -33.049 0.467 30.853 1.00 29.93 ? 807 HOH A O 1 HETATM 6649 O O . HOH Q 6 . ? -12.527 25.152 64.527 1.00 44.02 ? 808 HOH A O 1 HETATM 6650 O O . HOH Q 6 . ? -47.614 19.925 32.550 1.00 44.39 ? 809 HOH A O 1 HETATM 6651 O O . HOH Q 6 . ? -51.210 13.144 41.680 1.00 34.94 ? 810 HOH A O 1 HETATM 6652 O O . HOH Q 6 . ? -35.471 9.996 22.688 1.00 45.47 ? 811 HOH A O 1 HETATM 6653 O O . HOH Q 6 . ? -45.850 27.836 49.488 1.00 36.03 ? 812 HOH A O 1 HETATM 6654 O O . HOH Q 6 . ? -10.377 30.823 29.748 1.00 23.80 ? 813 HOH A O 1 HETATM 6655 O O . HOH Q 6 . ? -24.659 11.736 69.797 1.00 37.14 ? 814 HOH A O 1 HETATM 6656 O O . HOH Q 6 . ? -26.969 -0.821 34.400 1.00 39.16 ? 815 HOH A O 1 HETATM 6657 O O . HOH Q 6 . ? -21.917 -2.653 62.301 1.00 35.85 ? 816 HOH A O 1 HETATM 6658 O O . HOH Q 6 . ? -12.240 41.108 47.309 1.00 45.88 ? 817 HOH A O 1 HETATM 6659 O O . HOH Q 6 . ? -30.336 0.795 31.664 1.00 37.16 ? 818 HOH A O 1 HETATM 6660 O O . HOH Q 6 . ? -51.730 19.431 48.520 1.00 44.99 ? 819 HOH A O 1 HETATM 6661 O O . HOH Q 6 . ? -18.578 28.817 58.365 1.00 51.22 ? 820 HOH A O 1 HETATM 6662 O O . HOH Q 6 . ? -21.344 36.052 33.439 1.00 41.87 ? 821 HOH A O 1 HETATM 6663 O O . HOH Q 6 . ? 0.023 -5.644 64.596 1.00 24.18 ? 822 HOH A O 1 HETATM 6664 O O . HOH Q 6 . ? -29.993 19.537 21.855 1.00 51.22 ? 823 HOH A O 1 HETATM 6665 O O . HOH Q 6 . ? -20.772 -4.901 22.371 1.00 51.28 ? 824 HOH A O 1 HETATM 6666 O O . HOH Q 6 . ? -27.538 38.560 45.157 1.00 49.54 ? 825 HOH A O 1 HETATM 6667 O O . HOH Q 6 . ? -38.127 10.000 22.175 1.00 56.78 ? 826 HOH A O 1 HETATM 6668 O O . HOH Q 6 . ? -10.516 30.198 26.217 1.00 43.22 ? 827 HOH A O 1 HETATM 6669 O O . HOH Q 6 . ? -32.891 33.174 55.539 1.00 21.21 ? 828 HOH A O 1 HETATM 6670 O O . HOH Q 6 . ? -40.476 25.835 35.585 1.00 31.17 ? 829 HOH A O 1 HETATM 6671 O O . HOH Q 6 . ? -29.092 9.664 20.107 1.00 40.46 ? 830 HOH A O 1 HETATM 6672 O O . HOH Q 6 . ? -14.382 8.206 23.730 1.00 30.69 ? 831 HOH A O 1 HETATM 6673 O O . HOH Q 6 . ? -36.935 19.391 61.001 1.00 37.98 ? 832 HOH A O 1 HETATM 6674 O O . HOH Q 6 . ? -49.626 4.857 43.168 1.00 46.07 ? 833 HOH A O 1 HETATM 6675 O O . HOH Q 6 . ? -32.031 -4.826 56.553 1.00 27.85 ? 834 HOH A O 1 HETATM 6676 O O . HOH Q 6 . ? -47.559 21.847 35.658 1.00 36.72 ? 835 HOH A O 1 HETATM 6677 O O . HOH Q 6 . ? -17.468 13.848 20.108 1.00 30.95 ? 836 HOH A O 1 HETATM 6678 O O . HOH Q 6 . ? -10.341 -1.586 69.039 1.00 31.96 ? 837 HOH A O 1 HETATM 6679 O O . HOH Q 6 . ? -36.725 32.592 37.483 1.00 51.77 ? 838 HOH A O 1 HETATM 6680 O O . HOH Q 6 . ? -36.455 -2.714 51.129 1.00 33.98 ? 839 HOH A O 1 HETATM 6681 O O . HOH Q 6 . ? -39.403 28.497 36.464 1.00 27.61 ? 840 HOH A O 1 HETATM 6682 O O . HOH Q 6 . ? -29.205 6.823 20.472 1.00 37.14 ? 841 HOH A O 1 HETATM 6683 O O . HOH Q 6 . ? -5.722 6.149 69.752 1.00 38.29 ? 842 HOH A O 1 HETATM 6684 O O . HOH Q 6 . ? -28.576 15.536 66.497 1.00 45.53 ? 843 HOH A O 1 HETATM 6685 O O . HOH Q 6 . ? -1.734 1.962 61.820 1.00 24.12 ? 844 HOH A O 1 HETATM 6686 O O . HOH Q 6 . ? -51.409 7.826 44.811 1.00 39.65 ? 845 HOH A O 1 HETATM 6687 O O . HOH Q 6 . ? -9.494 22.698 70.590 1.00 50.83 ? 846 HOH A O 1 HETATM 6688 O O . HOH Q 6 . ? -25.285 18.850 22.756 1.00 28.40 ? 847 HOH A O 1 HETATM 6689 O O . HOH Q 6 . ? -40.782 31.419 47.737 1.00 50.54 ? 848 HOH A O 1 HETATM 6690 O O . HOH Q 6 . ? -36.997 -0.822 56.154 1.00 32.38 ? 849 HOH A O 1 HETATM 6691 O O . HOH Q 6 . ? -1.617 15.321 30.033 1.00 42.86 ? 850 HOH A O 1 HETATM 6692 O O . HOH Q 6 . ? -28.094 11.772 66.795 1.00 27.48 ? 851 HOH A O 1 HETATM 6693 O O . HOH Q 6 . ? -41.107 32.468 38.591 1.00 38.54 ? 852 HOH A O 1 HETATM 6694 O O . HOH Q 6 . ? -17.347 26.510 57.732 1.00 56.45 ? 853 HOH A O 1 HETATM 6695 O O . HOH Q 6 . ? -28.616 1.368 64.092 1.00 55.26 ? 854 HOH A O 1 HETATM 6696 O O . HOH Q 6 . ? -26.565 -0.542 61.843 1.00 46.25 ? 855 HOH A O 1 HETATM 6697 O O . HOH Q 6 . ? -37.327 0.140 31.807 1.00 44.19 ? 856 HOH A O 1 HETATM 6698 O O . HOH Q 6 . ? -19.436 25.535 56.777 1.00 26.88 ? 857 HOH A O 1 HETATM 6699 O O . HOH Q 6 . ? -23.652 21.384 57.730 1.00 32.55 ? 858 HOH A O 1 HETATM 6700 O O . HOH Q 6 . ? -31.221 -4.248 29.777 1.00 55.46 ? 859 HOH A O 1 HETATM 6701 O O . HOH Q 6 . ? -35.406 11.358 62.094 1.00 35.22 ? 860 HOH A O 1 HETATM 6702 O O . HOH Q 6 . ? -52.271 8.932 42.438 1.00 36.59 ? 861 HOH A O 1 HETATM 6703 O O . HOH Q 6 . ? -44.961 25.778 55.101 1.00 47.74 ? 862 HOH A O 1 HETATM 6704 O O . HOH Q 6 . ? -18.291 12.128 30.681 1.00 27.23 ? 863 HOH A O 1 HETATM 6705 O O . HOH Q 6 . ? -9.416 -0.185 65.843 1.00 22.69 ? 864 HOH A O 1 HETATM 6706 O O . HOH Q 6 . ? -39.092 3.655 57.692 1.00 44.67 ? 865 HOH A O 1 HETATM 6707 O O . HOH Q 6 . ? -43.311 32.418 40.248 1.00 41.34 ? 866 HOH A O 1 HETATM 6708 O O . HOH Q 6 . ? -39.807 18.329 29.807 1.00 37.59 ? 868 HOH A O 1 HETATM 6709 O O . HOH Q 6 . ? -28.053 32.268 23.063 1.00 39.97 ? 869 HOH A O 1 HETATM 6710 O O . HOH Q 6 . ? -42.961 18.814 59.910 1.00 39.01 ? 870 HOH A O 1 HETATM 6711 O O . HOH Q 6 . ? -39.602 17.084 61.892 1.00 45.97 ? 871 HOH A O 1 HETATM 6712 O O . HOH Q 6 . ? -26.086 19.826 61.322 1.00 39.22 ? 872 HOH A O 1 HETATM 6713 O O . HOH Q 6 . ? -9.729 25.262 24.706 1.00 25.48 ? 873 HOH A O 1 HETATM 6714 O O . HOH Q 6 . ? -23.330 15.526 73.901 1.00 53.70 ? 874 HOH A O 1 HETATM 6715 O O . HOH Q 6 . ? -21.017 39.951 40.260 1.00 47.95 ? 875 HOH A O 1 HETATM 6716 O O . HOH Q 6 . ? -27.822 37.751 42.693 1.00 38.56 ? 876 HOH A O 1 HETATM 6717 O O . HOH Q 6 . ? -34.545 -1.522 52.975 1.00 29.08 ? 877 HOH A O 1 HETATM 6718 O O . HOH Q 6 . ? -16.264 -1.430 40.421 1.00 38.58 ? 878 HOH A O 1 HETATM 6719 O O . HOH Q 6 . ? -34.474 1.643 59.590 1.00 72.96 ? 879 HOH A O 1 HETATM 6720 O O . HOH Q 6 . ? -12.741 -1.447 40.955 1.00 24.72 ? 881 HOH A O 1 HETATM 6721 O O . HOH Q 6 . ? -6.805 19.141 66.292 1.00 42.64 ? 882 HOH A O 1 HETATM 6722 O O . HOH Q 6 . ? -19.159 9.599 30.728 1.00 26.57 ? 883 HOH A O 1 HETATM 6723 O O . HOH Q 6 . ? -42.351 17.374 62.437 1.00 41.24 ? 884 HOH A O 1 HETATM 6724 O O . HOH Q 6 . ? -15.780 8.569 72.929 1.00 30.93 ? 885 HOH A O 1 HETATM 6725 O O . HOH Q 6 . ? -39.424 8.096 62.267 1.00 47.01 ? 886 HOH A O 1 HETATM 6726 O O . HOH Q 6 . ? -34.100 -2.852 56.635 1.00 29.28 ? 887 HOH A O 1 HETATM 6727 O O . HOH Q 6 . ? -37.518 -4.363 48.035 1.00 39.52 ? 889 HOH A O 1 HETATM 6728 O O . HOH Q 6 . ? -36.860 35.301 52.316 1.00 29.81 ? 890 HOH A O 1 HETATM 6729 O O . HOH Q 6 . ? -9.304 6.869 31.902 1.00 54.86 ? 891 HOH A O 1 HETATM 6730 O O . HOH Q 6 . ? -43.541 28.351 50.871 1.00 24.58 ? 892 HOH A O 1 HETATM 6731 O O . HOH Q 6 . ? -9.525 34.563 36.494 1.00 50.34 ? 893 HOH A O 1 HETATM 6732 O O . HOH Q 6 . ? -6.258 3.581 39.269 1.00 27.76 ? 894 HOH A O 1 HETATM 6733 O O . HOH Q 6 . ? -5.234 14.578 50.998 1.00 23.97 ? 895 HOH A O 1 HETATM 6734 O O . HOH Q 6 . ? -40.101 9.301 57.619 1.00 41.16 ? 896 HOH A O 1 HETATM 6735 O O . HOH Q 6 . ? -3.689 27.168 61.054 1.00 53.21 ? 903 HOH A O 1 HETATM 6736 O O . HOH Q 6 . ? -11.993 -0.836 38.478 1.00 46.88 ? 909 HOH A O 1 HETATM 6737 O O . HOH Q 6 . ? -43.291 30.296 55.066 1.00 41.07 ? 916 HOH A O 1 HETATM 6738 O O . HOH Q 6 . ? -35.886 20.658 27.956 1.00 50.87 ? 917 HOH A O 1 HETATM 6739 O O . HOH Q 6 . ? -41.003 33.895 48.924 1.00 47.82 ? 919 HOH A O 1 HETATM 6740 O O . HOH Q 6 . ? -44.098 22.046 33.578 1.00 39.54 ? 920 HOH A O 1 HETATM 6741 O O . HOH Q 6 . ? -13.966 25.422 22.091 1.00 34.09 ? 921 HOH A O 1 HETATM 6742 O O . HOH Q 6 . ? -26.507 14.841 67.998 1.00 47.84 ? 926 HOH A O 1 HETATM 6743 O O . HOH Q 6 . ? -46.558 22.154 57.174 1.00 44.83 ? 927 HOH A O 1 HETATM 6744 O O . HOH Q 6 . ? -19.828 22.428 62.700 1.00 40.65 ? 930 HOH A O 1 HETATM 6745 O O . HOH Q 6 . ? -40.491 34.051 51.694 1.00 56.22 ? 933 HOH A O 1 HETATM 6746 O O . HOH Q 6 . ? -23.156 35.264 29.069 1.00 43.16 ? 934 HOH A O 1 HETATM 6747 O O . HOH Q 6 . ? -4.069 1.389 68.292 1.00 50.20 ? 935 HOH A O 1 HETATM 6748 O O . HOH Q 6 . ? -5.710 10.090 30.879 1.00 54.68 ? 937 HOH A O 1 HETATM 6749 O O . HOH Q 6 . ? -8.081 23.254 59.970 1.00 39.75 ? 938 HOH A O 1 HETATM 6750 O O . HOH Q 6 . ? -13.640 -0.519 71.159 1.00 56.63 ? 939 HOH A O 1 HETATM 6751 O O . HOH Q 6 . ? -28.054 21.564 60.765 1.00 51.00 ? 941 HOH A O 1 HETATM 6752 O O . HOH Q 6 . ? -47.079 24.975 58.890 1.00 53.27 ? 942 HOH A O 1 HETATM 6753 O O . HOH Q 6 . ? -21.068 14.291 73.702 1.00 55.13 ? 948 HOH A O 1 HETATM 6754 O O . HOH Q 6 . ? -9.793 35.867 55.357 1.00 47.82 ? 950 HOH A O 1 HETATM 6755 O O . HOH Q 6 . ? -6.604 3.884 70.778 1.00 59.18 ? 954 HOH A O 1 HETATM 6756 O O . HOH Q 6 . ? -40.812 20.402 60.132 1.00 51.31 ? 956 HOH A O 1 HETATM 6757 O O . HOH Q 6 . ? -17.110 25.265 61.648 1.00 56.59 ? 958 HOH A O 1 HETATM 6758 O O . HOH Q 6 . ? -25.462 22.158 17.532 1.00 45.76 ? 961 HOH A O 1 HETATM 6759 O O . HOH Q 6 . ? -40.218 39.456 48.753 1.00 61.81 ? 962 HOH A O 1 HETATM 6760 O O . HOH Q 6 . ? -22.295 9.593 69.764 1.00 44.55 ? 964 HOH A O 1 HETATM 6761 O O . HOH Q 6 . ? -29.081 25.964 58.894 1.00 41.27 ? 965 HOH A O 1 HETATM 6762 O O . HOH Q 6 . ? -41.254 28.706 34.551 1.00 58.77 ? 970 HOH A O 1 HETATM 6763 O O . HOH Q 6 . ? -45.734 10.265 28.843 1.00 48.45 ? 977 HOH A O 1 HETATM 6764 O O . HOH Q 6 . ? -35.056 30.668 30.611 1.00 47.24 ? 979 HOH A O 1 HETATM 6765 O O . HOH Q 6 . ? -10.050 23.844 68.282 1.00 60.36 ? 980 HOH A O 1 HETATM 6766 O O . HOH Q 6 . ? -17.763 7.046 74.487 1.00 47.28 ? 985 HOH A O 1 HETATM 6767 O O . HOH Q 6 . ? -19.045 19.749 69.268 1.00 38.02 ? 986 HOH A O 1 HETATM 6768 O O . HOH Q 6 . ? -50.128 9.952 33.098 1.00 47.37 ? 987 HOH A O 1 HETATM 6769 O O . HOH Q 6 . ? -2.641 13.332 36.894 1.00 47.34 ? 995 HOH A O 1 HETATM 6770 O O . HOH Q 6 . ? -19.500 12.448 33.070 1.00 51.14 ? 996 HOH A O 1 HETATM 6771 O O . HOH Q 6 . ? -21.607 9.922 15.108 1.00 49.06 ? 997 HOH A O 1 HETATM 6772 O O . HOH Q 6 . ? -35.177 32.097 32.672 1.00 49.00 ? 1000 HOH A O 1 HETATM 6773 O O . HOH Q 6 . ? -28.611 30.159 21.656 1.00 52.18 ? 1001 HOH A O 1 HETATM 6774 O O . HOH Q 6 . ? -7.440 7.306 34.199 1.00 50.34 ? 1002 HOH A O 1 HETATM 6775 O O . HOH Q 6 . ? -27.067 27.564 59.442 1.00 40.76 ? 1003 HOH A O 1 HETATM 6776 O O . HOH Q 6 . ? -32.571 33.310 29.604 1.00 48.82 ? 1005 HOH A O 1 HETATM 6777 O O . HOH Q 6 . ? -23.763 38.427 53.554 1.00 53.57 ? 1006 HOH A O 1 HETATM 6778 O O . HOH Q 6 . ? -33.975 -3.739 54.264 1.00 42.57 ? 1007 HOH A O 1 HETATM 6779 O O . HOH Q 6 . ? -46.126 24.064 34.026 1.00 57.20 ? 1008 HOH A O 1 HETATM 6780 O O . HOH Q 6 . ? -31.705 32.928 25.674 1.00 54.41 ? 1014 HOH A O 1 HETATM 6781 O O . HOH Q 6 . ? -11.557 26.269 22.581 1.00 30.97 ? 1015 HOH A O 1 HETATM 6782 O O . HOH Q 6 . ? -40.686 12.738 61.374 1.00 59.06 ? 1017 HOH A O 1 HETATM 6783 O O . HOH Q 6 . ? -18.177 20.875 18.263 1.00 50.59 ? 1018 HOH A O 1 HETATM 6784 O O . HOH Q 6 . ? -44.879 2.105 45.387 1.00 50.68 ? 1021 HOH A O 1 HETATM 6785 O O . HOH Q 6 . ? -32.205 11.195 64.447 1.00 45.61 ? 1023 HOH A O 1 HETATM 6786 O O . HOH Q 6 . ? -18.738 0.231 70.776 1.00 44.62 ? 1027 HOH A O 1 HETATM 6787 O O . HOH Q 6 . ? -39.428 36.137 50.499 1.00 58.77 ? 1028 HOH A O 1 HETATM 6788 O O . HOH Q 6 . ? -6.150 1.893 35.122 1.00 56.65 ? 1029 HOH A O 1 HETATM 6789 O O . HOH Q 6 . ? -40.308 2.031 51.648 1.00 46.47 ? 1030 HOH A O 1 HETATM 6790 O O . HOH Q 6 . ? -2.952 -2.834 66.437 1.00 41.38 ? 1035 HOH A O 1 HETATM 6791 O O . HOH Q 6 . ? -32.446 22.826 60.053 1.00 50.76 ? 1036 HOH A O 1 HETATM 6792 O O . HOH Q 6 . ? -21.451 7.107 18.204 1.00 53.89 ? 1037 HOH A O 1 HETATM 6793 O O . HOH Q 6 . ? -29.117 -2.689 29.615 1.00 64.99 ? 1038 HOH A O 1 HETATM 6794 O O . HOH Q 6 . ? -11.295 33.163 34.704 1.00 53.49 ? 1043 HOH A O 1 HETATM 6795 O O . HOH Q 6 . ? -34.949 9.367 27.064 1.00 35.35 ? 1048 HOH A O 1 HETATM 6796 O O . HOH Q 6 . ? -45.015 3.949 47.250 1.00 48.15 ? 1049 HOH A O 1 HETATM 6797 O O . HOH Q 6 . ? -49.334 23.898 42.956 1.00 46.43 ? 1058 HOH A O 1 HETATM 6798 O O . HOH Q 6 . ? -47.409 1.099 41.241 1.00 45.36 ? 1059 HOH A O 1 HETATM 6799 O O . HOH Q 6 . ? -52.161 16.594 58.361 1.00 55.01 ? 1061 HOH A O 1 HETATM 6800 O O . HOH Q 6 . ? -44.200 28.278 53.612 1.00 61.49 ? 1063 HOH A O 1 HETATM 6801 O O . HOH Q 6 . ? -18.575 13.798 73.825 1.00 57.66 ? 1066 HOH A O 1 HETATM 6802 O O . HOH Q 6 . ? -16.057 -0.497 38.118 1.00 48.76 ? 1070 HOH A O 1 HETATM 6803 O O . HOH Q 6 . ? -40.511 6.747 58.256 1.00 53.43 ? 1071 HOH A O 1 HETATM 6804 O O . HOH Q 6 . ? -29.083 13.551 68.980 1.00 50.36 ? 1073 HOH A O 1 HETATM 6805 O O . HOH Q 6 . ? -15.871 35.569 55.446 1.00 53.25 ? 1074 HOH A O 1 HETATM 6806 O O . HOH Q 6 . ? -10.115 11.739 71.922 1.00 38.56 ? 1075 HOH A O 1 HETATM 6807 O O . HOH Q 6 . ? -4.642 14.008 38.435 1.00 54.73 ? 1081 HOH A O 1 HETATM 6808 O O . HOH Q 6 . ? -9.143 34.937 33.958 1.00 54.88 ? 1082 HOH A O 1 HETATM 6809 O O . HOH Q 6 . ? -35.225 -6.151 53.475 1.00 47.73 ? 1085 HOH A O 1 HETATM 6810 O O . HOH Q 6 . ? -30.504 1.433 66.063 1.00 54.10 ? 1090 HOH A O 1 HETATM 6811 O O . HOH Q 6 . ? -45.972 10.545 21.110 1.00 55.32 ? 1091 HOH A O 1 HETATM 6812 O O . HOH Q 6 . ? -18.745 37.306 53.980 1.00 59.21 ? 1093 HOH A O 1 HETATM 6813 O O . HOH Q 6 . ? -34.613 -7.348 37.938 1.00 42.11 ? 1099 HOH A O 1 HETATM 6814 O O . HOH Q 6 . ? -13.560 32.127 34.271 1.00 53.64 ? 1100 HOH A O 1 HETATM 6815 O O . HOH Q 6 . ? -12.944 25.994 17.495 1.00 44.10 ? 1101 HOH A O 1 HETATM 6816 O O . HOH Q 6 . ? -34.254 17.148 20.962 1.00 46.66 ? 1102 HOH A O 1 HETATM 6817 O O . HOH Q 6 . ? -9.350 39.883 52.127 1.00 57.27 ? 1103 HOH A O 1 HETATM 6818 O O . HOH Q 6 . ? -41.919 7.546 31.785 1.00 46.73 ? 1106 HOH A O 1 HETATM 6819 O O . HOH Q 6 . ? -22.128 -5.212 62.487 1.00 47.77 ? 1108 HOH A O 1 HETATM 6820 O O . HOH Q 6 . ? -12.013 7.360 24.056 1.00 49.81 ? 1110 HOH A O 1 HETATM 6821 O O . HOH Q 6 . ? -19.560 -0.845 22.484 1.00 53.35 ? 1111 HOH A O 1 HETATM 6822 O O . HOH Q 6 . ? -44.948 27.203 60.417 1.00 57.97 ? 1114 HOH A O 1 HETATM 6823 O O . HOH Q 6 . ? -48.893 11.050 51.658 1.00 49.96 ? 1115 HOH A O 1 HETATM 6824 O O . HOH Q 6 . ? -8.837 37.625 50.910 1.00 59.75 ? 1116 HOH A O 1 HETATM 6825 O O . HOH Q 6 . ? -13.487 18.949 18.615 1.00 49.79 ? 1123 HOH A O 1 HETATM 6826 O O . HOH Q 6 . ? -51.076 21.473 42.477 1.00 45.08 ? 1127 HOH A O 1 HETATM 6827 O O . HOH Q 6 . ? -44.653 16.406 61.266 1.00 63.92 ? 1129 HOH A O 1 HETATM 6828 O O . HOH Q 6 . ? -42.664 1.244 52.701 1.00 59.17 ? 1132 HOH A O 1 HETATM 6829 O O . HOH Q 6 . ? -41.544 -3.232 46.915 1.00 50.17 ? 1134 HOH A O 1 HETATM 6830 O O . HOH Q 6 . ? -44.020 16.692 27.856 1.00 42.52 ? 1135 HOH A O 1 HETATM 6831 O O . HOH Q 6 . ? -52.778 12.360 43.764 1.00 50.33 ? 1137 HOH A O 1 HETATM 6832 O O . HOH Q 6 . ? -23.713 1.837 20.906 1.00 49.42 ? 1138 HOH A O 1 HETATM 6833 O O . HOH R 6 . ? -25.028 48.588 16.533 1.00 9.28 ? 2 HOH B O 1 HETATM 6834 O O . HOH R 6 . ? -17.442 37.364 19.693 1.00 11.23 ? 3 HOH B O 1 HETATM 6835 O O . HOH R 6 . ? -43.900 34.883 17.197 1.00 8.13 ? 6 HOH B O 1 HETATM 6836 O O . HOH R 6 . ? -42.954 60.010 16.060 1.00 11.46 ? 7 HOH B O 1 HETATM 6837 O O . HOH R 6 . ? -36.419 42.367 23.965 1.00 10.20 ? 8 HOH B O 1 HETATM 6838 O O . HOH R 6 . ? -33.086 45.291 14.165 1.00 9.89 ? 9 HOH B O 1 HETATM 6839 O O . HOH R 6 . ? -24.081 47.020 6.147 1.00 9.33 ? 10 HOH B O 1 HETATM 6840 O O . HOH R 6 . ? -32.583 48.077 7.212 1.00 8.57 ? 11 HOH B O 1 HETATM 6841 O O . HOH R 6 . ? -28.615 37.503 8.627 1.00 10.49 ? 16 HOH B O 1 HETATM 6842 O O . HOH R 6 . ? -35.588 40.943 21.681 1.00 11.34 ? 17 HOH B O 1 HETATM 6843 O O . HOH R 6 . ? -36.330 57.912 19.119 1.00 10.70 ? 21 HOH B O 1 HETATM 6844 O O . HOH R 6 . ? -38.587 44.142 23.543 1.00 9.11 ? 23 HOH B O 1 HETATM 6845 O O . HOH R 6 . ? -34.595 65.662 9.592 1.00 8.94 ? 24 HOH B O 1 HETATM 6846 O O . HOH R 6 . ? -44.312 33.311 10.755 1.00 11.74 ? 25 HOH B O 1 HETATM 6847 O O . HOH R 6 . ? -20.356 48.267 17.883 1.00 8.95 ? 27 HOH B O 1 HETATM 6848 O O . HOH R 6 . ? -15.234 45.081 12.622 1.00 10.40 ? 32 HOH B O 1 HETATM 6849 O O . HOH R 6 . ? -45.298 61.611 26.478 1.00 10.43 ? 33 HOH B O 1 HETATM 6850 O O . HOH R 6 . ? -48.919 54.422 27.785 1.00 9.44 ? 34 HOH B O 1 HETATM 6851 O O . HOH R 6 . ? -36.332 44.339 -7.804 1.00 12.05 ? 35 HOH B O 1 HETATM 6852 O O . HOH R 6 . ? -29.289 44.814 25.184 1.00 10.67 ? 39 HOH B O 1 HETATM 6853 O O . HOH R 6 . ? -38.374 57.744 22.937 1.00 9.15 ? 40 HOH B O 1 HETATM 6854 O O . HOH R 6 . ? -31.035 46.595 2.142 1.00 14.23 ? 41 HOH B O 1 HETATM 6855 O O . HOH R 6 . ? -15.927 33.171 15.191 1.00 10.60 ? 42 HOH B O 1 HETATM 6856 O O . HOH R 6 . ? -17.476 40.457 20.447 1.00 11.27 ? 43 HOH B O 1 HETATM 6857 O O . HOH R 6 . ? -47.837 25.783 11.844 1.00 11.75 ? 44 HOH B O 1 HETATM 6858 O O . HOH R 6 . ? -48.648 52.058 25.452 1.00 9.83 ? 45 HOH B O 1 HETATM 6859 O O . HOH R 6 . ? -30.758 56.615 24.175 1.00 9.08 ? 47 HOH B O 1 HETATM 6860 O O . HOH R 6 . ? -42.460 25.065 15.857 1.00 13.51 ? 48 HOH B O 1 HETATM 6861 O O . HOH R 6 . ? -35.423 26.323 14.551 1.00 11.04 ? 51 HOH B O 1 HETATM 6862 O O . HOH R 6 . ? -43.684 49.071 29.700 1.00 9.77 ? 54 HOH B O 1 HETATM 6863 O O . HOH R 6 . ? -14.841 37.873 20.089 1.00 11.70 ? 55 HOH B O 1 HETATM 6864 O O . HOH R 6 . ? -41.573 51.151 22.167 1.00 10.49 ? 59 HOH B O 1 HETATM 6865 O O . HOH R 6 . ? -24.545 42.976 11.793 1.00 9.59 ? 62 HOH B O 1 HETATM 6866 O O . HOH R 6 . ? -39.595 37.732 -3.773 1.00 11.84 ? 63 HOH B O 1 HETATM 6867 O O . HOH R 6 . ? -11.637 31.697 11.114 1.00 16.50 ? 64 HOH B O 1 HETATM 6868 O O . HOH R 6 . ? -43.733 30.674 11.718 1.00 10.04 ? 67 HOH B O 1 HETATM 6869 O O . HOH R 6 . ? -22.822 49.525 13.160 1.00 9.59 ? 68 HOH B O 1 HETATM 6870 O O . HOH R 6 . ? -30.704 47.596 28.337 1.00 11.28 ? 72 HOH B O 1 HETATM 6871 O O . HOH R 6 . ? -23.291 44.226 22.624 1.00 10.47 ? 74 HOH B O 1 HETATM 6872 O O . HOH R 6 . ? -19.616 48.174 12.089 1.00 13.56 ? 75 HOH B O 1 HETATM 6873 O O . HOH R 6 . ? -22.545 27.321 6.883 1.00 12.75 ? 76 HOH B O 1 HETATM 6874 O O . HOH R 6 . ? -30.023 45.335 5.728 1.00 12.01 ? 77 HOH B O 1 HETATM 6875 O O . HOH R 6 . ? -31.130 50.269 28.438 1.00 11.46 ? 78 HOH B O 1 HETATM 6876 O O . HOH R 6 . ? -41.187 19.841 5.562 1.00 37.10 ? 473 HOH B O 1 HETATM 6877 O O . HOH R 6 . ? -43.954 38.691 23.784 1.00 11.85 ? 474 HOH B O 1 HETATM 6878 O O . HOH R 6 . ? -29.294 59.112 17.527 1.00 11.12 ? 475 HOH B O 1 HETATM 6879 O O . HOH R 6 . ? -18.852 40.723 14.805 1.00 11.01 ? 476 HOH B O 1 HETATM 6880 O O . HOH R 6 . ? -31.763 38.070 15.681 1.00 13.68 ? 477 HOH B O 1 HETATM 6881 O O . HOH R 6 . ? -45.502 59.405 9.550 1.00 15.73 ? 478 HOH B O 1 HETATM 6882 O O . HOH R 6 . ? -39.360 29.981 20.079 1.00 14.38 ? 479 HOH B O 1 HETATM 6883 O O . HOH R 6 . ? -46.169 41.300 2.265 1.00 15.78 ? 480 HOH B O 1 HETATM 6884 O O . HOH R 6 . ? -39.707 39.368 -6.206 1.00 12.89 ? 481 HOH B O 1 HETATM 6885 O O . HOH R 6 . ? -22.462 44.319 25.288 1.00 16.87 ? 482 HOH B O 1 HETATM 6886 O O . HOH R 6 . ? -20.804 34.209 -10.276 1.00 32.12 ? 483 HOH B O 1 HETATM 6887 O O . HOH R 6 . ? -29.493 31.986 -8.215 1.00 13.22 ? 484 HOH B O 1 HETATM 6888 O O . HOH R 6 . ? -21.184 42.079 26.736 1.00 31.78 ? 485 HOH B O 1 HETATM 6889 O O . HOH R 6 . ? -39.065 27.025 22.012 1.00 20.71 ? 486 HOH B O 1 HETATM 6890 O O . HOH R 6 . ? -22.324 48.438 15.899 1.00 10.07 ? 487 HOH B O 1 HETATM 6891 O O . HOH R 6 . ? -39.262 52.659 17.421 1.00 34.91 ? 488 HOH B O 1 HETATM 6892 O O . HOH R 6 . ? -35.222 50.088 -2.587 1.00 23.00 ? 489 HOH B O 1 HETATM 6893 O O . HOH R 6 . ? -30.819 56.754 -4.989 1.00 16.29 ? 490 HOH B O 1 HETATM 6894 O O . HOH R 6 . ? -26.645 47.698 -7.066 1.00 13.70 ? 491 HOH B O 1 HETATM 6895 O O . HOH R 6 . ? -29.759 32.220 18.661 1.00 15.68 ? 492 HOH B O 1 HETATM 6896 O O . HOH R 6 . ? -26.787 27.410 -4.769 1.00 31.22 ? 493 HOH B O 1 HETATM 6897 O O . HOH R 6 . ? -12.365 49.928 20.064 1.00 13.02 ? 494 HOH B O 1 HETATM 6898 O O . HOH R 6 . ? -20.136 50.409 -7.146 1.00 38.50 ? 495 HOH B O 1 HETATM 6899 O O . HOH R 6 . ? -37.874 42.202 31.064 1.00 14.76 ? 496 HOH B O 1 HETATM 6900 O O . HOH R 6 . ? -28.534 49.677 25.047 1.00 10.84 ? 497 HOH B O 1 HETATM 6901 O O . HOH R 6 . ? -29.441 36.273 12.628 1.00 12.34 ? 498 HOH B O 1 HETATM 6902 O O . HOH R 6 . ? -33.551 42.497 24.530 1.00 11.64 ? 499 HOH B O 1 HETATM 6903 O O . HOH R 6 . ? -28.620 35.197 10.209 1.00 14.69 ? 500 HOH B O 1 HETATM 6904 O O . HOH R 6 . ? -30.368 41.045 2.241 1.00 14.12 ? 501 HOH B O 1 HETATM 6905 O O . HOH R 6 . ? -26.433 41.867 28.292 1.00 37.21 ? 502 HOH B O 1 HETATM 6906 O O . HOH R 6 . ? -40.432 52.957 20.138 1.00 12.53 ? 503 HOH B O 1 HETATM 6907 O O . HOH R 6 . ? -18.625 51.335 -2.877 1.00 16.14 ? 504 HOH B O 1 HETATM 6908 O O . HOH R 6 . ? -24.666 55.604 30.780 1.00 35.87 ? 505 HOH B O 1 HETATM 6909 O O . HOH R 6 . ? -30.371 56.818 27.138 1.00 14.51 ? 506 HOH B O 1 HETATM 6910 O O . HOH R 6 . ? -40.877 21.578 19.130 1.00 29.49 ? 507 HOH B O 1 HETATM 6911 O O . HOH R 6 . ? -12.251 27.969 15.466 1.00 35.54 ? 508 HOH B O 1 HETATM 6912 O O . HOH R 6 . ? -17.665 59.851 -5.762 1.00 33.27 ? 509 HOH B O 1 HETATM 6913 O O . HOH R 6 . ? -29.000 29.414 18.611 1.00 13.60 ? 510 HOH B O 1 HETATM 6914 O O . HOH R 6 . ? -47.488 42.493 -9.156 1.00 34.37 ? 511 HOH B O 1 HETATM 6915 O O . HOH R 6 . ? -11.324 35.638 26.498 1.00 37.68 ? 512 HOH B O 1 HETATM 6916 O O . HOH R 6 . ? -49.890 54.610 33.459 1.00 25.71 ? 513 HOH B O 1 HETATM 6917 O O . HOH R 6 . ? -19.572 37.735 -7.505 1.00 33.13 ? 514 HOH B O 1 HETATM 6918 O O . HOH R 6 . ? -3.427 49.072 23.605 1.00 42.44 ? 516 HOH B O 1 HETATM 6919 O O . HOH R 6 . ? -15.686 29.758 1.885 1.00 34.51 ? 517 HOH B O 1 HETATM 6920 O O . HOH R 6 . ? -21.690 63.401 9.007 1.00 19.23 ? 518 HOH B O 1 HETATM 6921 O O . HOH R 6 . ? -16.978 63.232 16.642 1.00 40.14 ? 519 HOH B O 1 HETATM 6922 O O . HOH R 6 . ? -56.055 56.055 27.554 0.50 34.80 ? 520 HOH B O 1 HETATM 6923 O O . HOH R 6 . ? -49.580 51.252 36.480 1.00 34.22 ? 521 HOH B O 1 HETATM 6924 O O . HOH R 6 . ? -12.935 30.666 15.380 1.00 18.71 ? 522 HOH B O 1 HETATM 6925 O O . HOH R 6 . ? -44.562 56.440 32.665 1.00 14.31 ? 523 HOH B O 1 HETATM 6926 O O . HOH R 6 . ? -25.421 39.261 27.686 1.00 54.18 ? 524 HOH B O 1 HETATM 6927 O O . HOH R 6 . ? -52.036 49.957 4.503 1.00 53.48 ? 525 HOH B O 1 HETATM 6928 O O . HOH R 6 . ? -49.288 38.628 -3.626 1.00 37.59 ? 526 HOH B O 1 HETATM 6929 O O . HOH R 6 . ? -26.056 60.430 -9.303 1.00 30.36 ? 527 HOH B O 1 HETATM 6930 O O . HOH R 6 . ? -23.359 61.619 -2.221 1.00 35.62 ? 528 HOH B O 1 HETATM 6931 O O . HOH R 6 . ? -34.248 57.691 32.411 1.00 15.45 ? 529 HOH B O 1 HETATM 6932 O O . HOH R 6 . ? -28.175 63.090 24.381 1.00 15.60 ? 530 HOH B O 1 HETATM 6933 O O . HOH R 6 . ? -36.794 33.642 24.170 1.00 15.38 ? 531 HOH B O 1 HETATM 6934 O O . HOH R 6 . ? -5.029 37.253 9.564 1.00 35.46 ? 532 HOH B O 1 HETATM 6935 O O . HOH R 6 . ? -15.627 31.972 -1.597 1.00 34.04 ? 533 HOH B O 1 HETATM 6936 O O . HOH R 6 . ? -30.244 54.870 32.199 1.00 27.92 ? 534 HOH B O 1 HETATM 6937 O O . HOH R 6 . ? -25.330 66.736 23.310 1.00 30.53 ? 535 HOH B O 1 HETATM 6938 O O . HOH R 6 . ? -34.615 21.766 5.505 1.00 35.76 ? 536 HOH B O 1 HETATM 6939 O O . HOH R 6 . ? -43.167 56.804 4.929 1.00 32.79 ? 537 HOH B O 1 HETATM 6940 O O . HOH R 6 . ? -34.310 26.575 -0.147 1.00 30.92 ? 538 HOH B O 1 HETATM 6941 O O . HOH R 6 . ? -15.905 31.436 22.128 1.00 14.63 ? 539 HOH B O 1 HETATM 6942 O O . HOH R 6 . ? -8.401 54.747 17.054 1.00 28.50 ? 540 HOH B O 1 HETATM 6943 O O . HOH R 6 . ? -41.120 61.977 16.532 1.00 12.78 ? 541 HOH B O 1 HETATM 6944 O O . HOH R 6 . ? -47.264 45.180 -1.115 1.00 17.52 ? 542 HOH B O 1 HETATM 6945 O O . HOH R 6 . ? -37.426 56.969 13.200 1.00 14.50 ? 543 HOH B O 1 HETATM 6946 O O . HOH R 6 . ? -20.103 45.947 -5.512 1.00 16.28 ? 544 HOH B O 1 HETATM 6947 O O . HOH R 6 . ? -35.793 45.014 -13.283 1.00 30.96 ? 545 HOH B O 1 HETATM 6948 O O . HOH R 6 . ? -28.735 47.314 26.344 1.00 12.60 ? 546 HOH B O 1 HETATM 6949 O O . HOH R 6 . ? -6.155 60.399 10.639 1.00 43.31 ? 547 HOH B O 1 HETATM 6950 O O . HOH R 6 . ? -27.590 63.302 27.052 1.00 41.10 ? 548 HOH B O 1 HETATM 6951 O O . HOH R 6 . ? -39.651 57.802 37.456 1.00 38.50 ? 549 HOH B O 1 HETATM 6952 O O . HOH R 6 . ? -14.045 57.485 0.652 1.00 31.73 ? 550 HOH B O 1 HETATM 6953 O O . HOH R 6 . ? -47.682 37.049 17.354 1.00 12.34 ? 551 HOH B O 1 HETATM 6954 O O . HOH R 6 . ? -13.166 32.447 9.515 1.00 35.76 ? 552 HOH B O 1 HETATM 6955 O O . HOH R 6 . ? -38.817 23.709 10.927 1.00 18.30 ? 553 HOH B O 1 HETATM 6956 O O . HOH R 6 . ? -40.488 27.654 -3.689 1.00 27.10 ? 554 HOH B O 1 HETATM 6957 O O . HOH R 6 . ? -20.320 27.393 -3.384 1.00 36.05 ? 555 HOH B O 1 HETATM 6958 O O . HOH R 6 . ? -45.528 47.358 4.196 1.00 15.17 ? 556 HOH B O 1 HETATM 6959 O O . HOH R 6 . ? -4.457 46.490 11.965 1.00 21.68 ? 557 HOH B O 1 HETATM 6960 O O . HOH R 6 . ? -32.887 51.999 -7.484 1.00 16.83 ? 558 HOH B O 1 HETATM 6961 O O . HOH R 6 . ? -8.539 42.490 0.650 1.00 42.48 ? 559 HOH B O 1 HETATM 6962 O O . HOH R 6 . ? -9.431 58.751 1.937 1.00 40.41 ? 560 HOH B O 1 HETATM 6963 O O . HOH R 6 . ? -32.298 58.886 26.779 1.00 16.89 ? 561 HOH B O 1 HETATM 6964 O O . HOH R 6 . ? -15.226 54.763 20.526 1.00 30.28 ? 562 HOH B O 1 HETATM 6965 O O . HOH R 6 . ? -23.189 65.171 23.269 1.00 27.38 ? 563 HOH B O 1 HETATM 6966 O O . HOH R 6 . ? -32.040 44.403 25.885 1.00 12.78 ? 564 HOH B O 1 HETATM 6967 O O . HOH R 6 . ? -13.878 36.123 25.675 1.00 20.25 ? 565 HOH B O 1 HETATM 6968 O O . HOH R 6 . ? -1.816 46.335 15.667 1.00 37.39 ? 566 HOH B O 1 HETATM 6969 O O . HOH R 6 . ? -34.056 26.669 -2.918 1.00 27.27 ? 567 HOH B O 1 HETATM 6970 O O . HOH R 6 . ? -47.496 53.660 39.182 1.00 37.72 ? 568 HOH B O 1 HETATM 6971 O O . HOH R 6 . ? -35.412 33.118 -9.252 1.00 35.84 ? 569 HOH B O 1 HETATM 6972 O O . HOH R 6 . ? -35.740 51.963 35.166 1.00 16.55 ? 570 HOH B O 1 HETATM 6973 O O . HOH R 6 . ? -18.926 62.697 -0.967 1.00 36.85 ? 571 HOH B O 1 HETATM 6974 O O . HOH R 6 . ? -17.743 24.980 17.238 1.00 16.83 ? 572 HOH B O 1 HETATM 6975 O O . HOH R 6 . ? -7.137 52.864 21.386 1.00 23.24 ? 573 HOH B O 1 HETATM 6976 O O . HOH R 6 . ? -52.435 49.357 31.370 1.00 17.65 ? 574 HOH B O 1 HETATM 6977 O O . HOH R 6 . ? -25.915 58.606 31.594 1.00 47.96 ? 576 HOH B O 1 HETATM 6978 O O . HOH R 6 . ? -15.648 24.845 13.232 1.00 19.16 ? 577 HOH B O 1 HETATM 6979 O O . HOH R 6 . ? -2.077 45.466 19.340 1.00 44.11 ? 578 HOH B O 1 HETATM 6980 O O . HOH R 6 . ? -18.000 65.187 13.454 1.00 37.86 ? 579 HOH B O 1 HETATM 6981 O O . HOH R 6 . ? -28.964 52.302 34.829 1.00 46.87 ? 580 HOH B O 1 HETATM 6982 O O . HOH R 6 . ? -18.871 22.774 16.494 1.00 32.00 ? 581 HOH B O 1 HETATM 6983 O O . HOH R 6 . ? -19.578 60.261 23.897 1.00 19.76 ? 582 HOH B O 1 HETATM 6984 O O . HOH R 6 . ? -9.959 32.995 14.443 1.00 33.76 ? 583 HOH B O 1 HETATM 6985 O O . HOH R 6 . ? -46.437 48.620 -2.446 1.00 31.32 ? 584 HOH B O 1 HETATM 6986 O O . HOH R 6 . ? -31.959 40.287 23.673 1.00 15.67 ? 585 HOH B O 1 HETATM 6987 O O . HOH R 6 . ? -49.057 52.102 8.635 1.00 14.33 ? 586 HOH B O 1 HETATM 6988 O O . HOH R 6 . ? -40.618 37.602 24.048 1.00 16.91 ? 587 HOH B O 1 HETATM 6989 O O . HOH R 6 . ? -49.476 51.038 4.258 1.00 37.43 ? 588 HOH B O 1 HETATM 6990 O O . HOH R 6 . ? -11.661 33.373 5.789 1.00 37.60 ? 589 HOH B O 1 HETATM 6991 O O . HOH R 6 . ? -21.064 24.287 17.020 1.00 17.75 ? 590 HOH B O 1 HETATM 6992 O O . HOH R 6 . ? -32.523 50.896 -3.135 1.00 17.06 ? 591 HOH B O 1 HETATM 6993 O O . HOH R 6 . ? -29.541 36.305 15.463 1.00 15.69 ? 592 HOH B O 1 HETATM 6994 O O . HOH R 6 . ? -25.168 39.721 -9.473 1.00 19.50 ? 593 HOH B O 1 HETATM 6995 O O . HOH R 6 . ? -51.399 47.002 33.299 1.00 14.90 ? 594 HOH B O 1 HETATM 6996 O O . HOH R 6 . ? -52.390 56.547 29.158 1.00 16.95 ? 595 HOH B O 1 HETATM 6997 O O . HOH R 6 . ? -45.215 40.882 -8.489 1.00 20.20 ? 596 HOH B O 1 HETATM 6998 O O . HOH R 6 . ? -10.363 43.113 11.037 1.00 15.52 ? 597 HOH B O 1 HETATM 6999 O O . HOH R 6 . ? -12.903 45.628 11.293 1.00 18.75 ? 598 HOH B O 1 HETATM 7000 O O . HOH R 6 . ? -25.848 47.114 26.933 1.00 15.38 ? 599 HOH B O 1 HETATM 7001 O O . HOH R 6 . ? -48.143 45.322 1.375 1.00 33.65 ? 600 HOH B O 1 HETATM 7002 O O . HOH R 6 . ? -15.925 32.858 29.266 1.00 30.95 ? 602 HOH B O 1 HETATM 7003 O O . HOH R 6 . ? -27.301 43.087 26.038 1.00 19.43 ? 603 HOH B O 1 HETATM 7004 O O . HOH R 6 . ? -42.493 50.759 -9.429 1.00 44.11 ? 604 HOH B O 1 HETATM 7005 O O . HOH R 6 . ? -11.758 42.953 0.749 1.00 43.18 ? 605 HOH B O 1 HETATM 7006 O O . HOH R 6 . ? -16.753 58.337 0.920 1.00 20.38 ? 606 HOH B O 1 HETATM 7007 O O . HOH R 6 . ? -18.955 43.312 27.860 1.00 34.64 ? 607 HOH B O 1 HETATM 7008 O O . HOH R 6 . ? -52.061 50.507 9.256 1.00 31.66 ? 608 HOH B O 1 HETATM 7009 O O . HOH R 6 . ? -33.045 50.991 -10.115 1.00 18.74 ? 609 HOH B O 1 HETATM 7010 O O . HOH R 6 . ? -34.291 50.124 1.454 1.00 19.71 ? 610 HOH B O 1 HETATM 7011 O O . HOH R 6 . ? -5.817 41.740 17.876 1.00 22.70 ? 611 HOH B O 1 HETATM 7012 O O . HOH R 6 . ? -12.884 40.812 3.609 1.00 30.18 ? 612 HOH B O 1 HETATM 7013 O O . HOH R 6 . ? -6.593 33.135 14.122 1.00 40.36 ? 613 HOH B O 1 HETATM 7014 O O . HOH R 6 . ? -37.282 40.256 33.019 1.00 21.22 ? 614 HOH B O 1 HETATM 7015 O O . HOH R 6 . ? -51.554 39.983 -2.325 1.00 48.91 ? 615 HOH B O 1 HETATM 7016 O O . HOH R 6 . ? -15.306 39.350 2.291 1.00 35.10 ? 616 HOH B O 1 HETATM 7017 O O . HOH R 6 . ? -20.806 65.363 17.938 1.00 32.15 ? 617 HOH B O 1 HETATM 7018 O O . HOH R 6 . ? -46.330 59.550 35.732 1.00 33.26 ? 618 HOH B O 1 HETATM 7019 O O . HOH R 6 . ? -12.780 58.577 -14.676 1.00 50.84 ? 619 HOH B O 1 HETATM 7020 O O . HOH R 6 . ? -43.551 58.636 38.247 1.00 55.35 ? 620 HOH B O 1 HETATM 7021 O O . HOH R 6 . ? -24.714 67.886 0.714 1.00 49.46 ? 621 HOH B O 1 HETATM 7022 O O . HOH R 6 . ? -41.117 25.651 -0.734 1.00 40.39 ? 622 HOH B O 1 HETATM 7023 O O . HOH R 6 . ? -28.172 37.525 22.368 1.00 22.01 ? 623 HOH B O 1 HETATM 7024 O O . HOH R 6 . ? -40.074 55.419 12.561 1.00 20.92 ? 624 HOH B O 1 HETATM 7025 O O . HOH R 6 . ? -24.940 44.691 26.472 1.00 19.53 ? 625 HOH B O 1 HETATM 7026 O O . HOH R 6 . ? -23.166 66.153 20.900 1.00 43.94 ? 626 HOH B O 1 HETATM 7027 O O . HOH R 6 . ? -47.263 48.029 38.744 1.00 46.30 ? 627 HOH B O 1 HETATM 7028 O O . HOH R 6 . ? -26.238 22.467 6.379 1.00 40.06 ? 628 HOH B O 1 HETATM 7029 O O . HOH R 6 . ? -23.797 65.494 -5.221 1.00 52.01 ? 629 HOH B O 1 HETATM 7030 O O . HOH R 6 . ? -17.479 59.459 19.609 1.00 24.91 ? 630 HOH B O 1 HETATM 7031 O O . HOH R 6 . ? -25.949 70.591 22.641 1.00 21.93 ? 631 HOH B O 1 HETATM 7032 O O . HOH R 6 . ? -15.709 51.885 26.662 1.00 19.84 ? 632 HOH B O 1 HETATM 7033 O O . HOH R 6 . ? -9.259 47.274 25.601 1.00 22.75 ? 633 HOH B O 1 HETATM 7034 O O . HOH R 6 . ? -19.351 64.122 15.792 1.00 20.58 ? 634 HOH B O 1 HETATM 7035 O O . HOH R 6 . ? -28.825 39.423 24.728 1.00 23.04 ? 635 HOH B O 1 HETATM 7036 O O . HOH R 6 . ? -39.945 50.296 -9.732 1.00 32.66 ? 636 HOH B O 1 HETATM 7037 O O . HOH R 6 . ? -45.127 51.325 1.018 1.00 30.77 ? 637 HOH B O 1 HETATM 7038 O O . HOH R 6 . ? -25.464 25.039 -0.817 1.00 21.97 ? 638 HOH B O 1 HETATM 7039 O O . HOH R 6 . ? -14.516 33.571 0.296 1.00 23.45 ? 639 HOH B O 1 HETATM 7040 O O . HOH R 6 . ? -18.602 45.075 -7.585 1.00 27.83 ? 640 HOH B O 1 HETATM 7041 O O . HOH R 6 . ? -7.334 35.791 14.748 1.00 29.27 ? 641 HOH B O 1 HETATM 7042 O O . HOH R 6 . ? -1.867 46.794 12.826 1.00 34.02 ? 642 HOH B O 1 HETATM 7043 O O . HOH R 6 . ? -45.798 39.711 30.418 1.00 20.26 ? 643 HOH B O 1 HETATM 7044 O O . HOH R 6 . ? -33.157 43.054 36.159 1.00 26.38 ? 644 HOH B O 1 HETATM 7045 O O . HOH R 6 . ? -41.872 36.621 26.208 1.00 36.56 ? 645 HOH B O 1 HETATM 7046 O O . HOH R 6 . ? -33.591 53.625 34.568 1.00 22.51 ? 646 HOH B O 1 HETATM 7047 O O . HOH R 6 . ? -25.770 22.717 13.842 1.00 35.98 ? 647 HOH B O 1 HETATM 7048 O O . HOH R 6 . ? -6.851 55.010 14.660 1.00 37.33 ? 648 HOH B O 1 HETATM 7049 O O . HOH R 6 . ? -40.490 45.026 -14.299 1.00 25.23 ? 649 HOH B O 1 HETATM 7050 O O . HOH R 6 . ? -32.323 41.211 32.357 1.00 23.54 ? 650 HOH B O 1 HETATM 7051 O O . HOH R 6 . ? -13.547 52.413 20.764 1.00 18.73 ? 651 HOH B O 1 HETATM 7052 O O . HOH R 6 . ? -25.342 54.725 28.539 1.00 28.91 ? 652 HOH B O 1 HETATM 7053 O O . HOH R 6 . ? -31.282 39.593 -9.255 1.00 18.37 ? 653 HOH B O 1 HETATM 7054 O O . HOH R 6 . ? -19.013 66.083 11.081 1.00 22.42 ? 654 HOH B O 1 HETATM 7055 O O . HOH R 6 . ? -31.787 43.704 -17.246 1.00 52.64 ? 655 HOH B O 1 HETATM 7056 O O . HOH R 6 . ? -15.677 50.795 -6.621 1.00 40.30 ? 656 HOH B O 1 HETATM 7057 O O . HOH R 6 . ? -29.614 61.675 28.703 1.00 43.09 ? 657 HOH B O 1 HETATM 7058 O O . HOH R 6 . ? -29.567 40.477 -10.860 1.00 20.76 ? 658 HOH B O 1 HETATM 7059 O O . HOH R 6 . ? -3.888 44.413 4.966 1.00 24.83 ? 659 HOH B O 1 HETATM 7060 O O . HOH R 6 . ? -5.021 43.266 2.497 1.00 38.72 ? 660 HOH B O 1 HETATM 7061 O O . HOH R 6 . ? -10.587 33.649 21.337 1.00 20.60 ? 661 HOH B O 1 HETATM 7062 O O . HOH R 6 . ? -31.887 48.537 0.632 1.00 20.18 ? 662 HOH B O 1 HETATM 7063 O O . HOH R 6 . ? -44.163 46.341 38.236 1.00 30.45 ? 663 HOH B O 1 HETATM 7064 O O . HOH R 6 . ? -53.514 36.707 3.603 1.00 31.60 ? 664 HOH B O 1 HETATM 7065 O O . HOH R 6 . ? -19.032 30.910 -4.478 1.00 25.35 ? 665 HOH B O 1 HETATM 7066 O O . HOH R 6 . ? -34.583 35.394 25.648 1.00 23.58 ? 666 HOH B O 1 HETATM 7067 O O . HOH R 6 . ? -7.289 52.988 -2.349 1.00 26.68 ? 667 HOH B O 1 HETATM 7068 O O . HOH R 6 . ? -42.178 30.871 23.941 1.00 23.35 ? 668 HOH B O 1 HETATM 7069 O O . HOH R 6 . ? -18.257 38.700 25.871 1.00 22.96 ? 669 HOH B O 1 HETATM 7070 O O . HOH R 6 . ? -34.086 44.908 -16.464 1.00 49.03 ? 670 HOH B O 1 HETATM 7071 O O . HOH R 6 . ? -13.410 61.170 1.523 1.00 48.32 ? 671 HOH B O 1 HETATM 7072 O O . HOH R 6 . ? -47.339 49.285 3.288 1.00 28.80 ? 672 HOH B O 1 HETATM 7073 O O . HOH R 6 . ? -17.847 34.036 27.615 1.00 20.50 ? 673 HOH B O 1 HETATM 7074 O O . HOH R 6 . ? -34.962 24.574 4.990 1.00 24.60 ? 674 HOH B O 1 HETATM 7075 O O . HOH R 6 . ? -18.346 24.370 5.845 1.00 43.21 ? 675 HOH B O 1 HETATM 7076 O O . HOH R 6 . ? -17.139 64.900 9.394 1.00 27.99 ? 676 HOH B O 1 HETATM 7077 O O . HOH R 6 . ? -14.813 64.097 10.973 1.00 26.85 ? 677 HOH B O 1 HETATM 7078 O O . HOH R 6 . ? -57.008 61.581 31.271 1.00 22.47 ? 678 HOH B O 1 HETATM 7079 O O . HOH R 6 . ? -38.506 51.178 -11.693 1.00 43.52 ? 679 HOH B O 1 HETATM 7080 O O . HOH R 6 . ? -17.503 49.114 -7.683 1.00 45.23 ? 680 HOH B O 1 HETATM 7081 O O . HOH R 6 . ? -54.012 54.472 28.426 1.00 20.67 ? 681 HOH B O 1 HETATM 7082 O O . HOH R 6 . ? -19.730 26.899 -0.799 1.00 31.02 ? 682 HOH B O 1 HETATM 7083 O O . HOH R 6 . ? -38.034 65.757 28.273 1.00 29.70 ? 683 HOH B O 1 HETATM 7084 O O . HOH R 6 . ? -19.430 51.484 29.104 1.00 28.98 ? 684 HOH B O 1 HETATM 7085 O O . HOH R 6 . ? -19.326 64.004 7.976 1.00 18.91 ? 685 HOH B O 1 HETATM 7086 O O . HOH R 6 . ? -18.492 38.426 -5.251 1.00 36.25 ? 686 HOH B O 1 HETATM 7087 O O . HOH R 6 . ? -21.151 24.621 -4.103 1.00 41.17 ? 687 HOH B O 1 HETATM 7088 O O . HOH R 6 . ? -32.313 48.515 -16.738 1.00 46.00 ? 688 HOH B O 1 HETATM 7089 O O . HOH R 6 . ? -29.755 61.815 1.161 1.00 31.81 ? 689 HOH B O 1 HETATM 7090 O O . HOH R 6 . ? -16.297 36.395 27.203 1.00 44.03 ? 690 HOH B O 1 HETATM 7091 O O . HOH R 6 . ? -47.239 40.800 34.173 1.00 26.07 ? 691 HOH B O 1 HETATM 7092 O O . HOH R 6 . ? -44.569 29.606 24.453 1.00 27.89 ? 692 HOH B O 1 HETATM 7093 O O . HOH R 6 . ? -8.192 36.139 18.117 1.00 23.44 ? 693 HOH B O 1 HETATM 7094 O O . HOH R 6 . ? -18.193 50.640 31.926 1.00 49.64 ? 694 HOH B O 1 HETATM 7095 O O . HOH R 6 . ? -13.239 43.846 4.110 1.00 25.58 ? 695 HOH B O 1 HETATM 7096 O O . HOH R 6 . ? -32.148 62.514 28.182 1.00 44.04 ? 696 HOH B O 1 HETATM 7097 O O . HOH R 6 . ? -11.369 54.003 -2.880 1.00 23.46 ? 697 HOH B O 1 HETATM 7098 O O . HOH R 6 . ? -47.590 30.351 -3.102 1.00 23.85 ? 698 HOH B O 1 HETATM 7099 O O . HOH R 6 . ? -17.254 52.258 -5.283 1.00 28.03 ? 699 HOH B O 1 HETATM 7100 O O . HOH R 6 . ? -27.856 24.136 0.438 1.00 39.45 ? 700 HOH B O 1 HETATM 7101 O O . HOH R 6 . ? -33.518 26.923 22.949 1.00 22.57 ? 701 HOH B O 1 HETATM 7102 O O . HOH R 6 . ? -11.857 50.381 -10.820 1.00 54.04 ? 702 HOH B O 1 HETATM 7103 O O . HOH R 6 . ? -42.234 43.038 -15.015 1.00 33.60 ? 703 HOH B O 1 HETATM 7104 O O . HOH R 6 . ? -55.892 54.070 12.440 1.00 43.59 ? 704 HOH B O 1 HETATM 7105 O O . HOH R 6 . ? -25.269 24.890 -6.859 1.00 52.77 ? 705 HOH B O 1 HETATM 7106 O O . HOH R 6 . ? -19.486 48.441 30.674 1.00 50.81 ? 706 HOH B O 1 HETATM 7107 O O . HOH R 6 . ? -3.370 52.761 9.015 1.00 30.43 ? 707 HOH B O 1 HETATM 7108 O O . HOH R 6 . ? -30.489 46.215 -14.206 1.00 37.42 ? 708 HOH B O 1 HETATM 7109 O O . HOH R 6 . ? -33.182 38.121 26.534 1.00 26.26 ? 709 HOH B O 1 HETATM 7110 O O . HOH R 6 . ? -37.640 24.697 3.741 1.00 27.98 ? 710 HOH B O 1 HETATM 7111 O O . HOH R 6 . ? -43.548 57.318 36.027 1.00 20.22 ? 711 HOH B O 1 HETATM 7112 O O . HOH R 6 . ? -12.966 26.030 13.562 1.00 36.78 ? 712 HOH B O 1 HETATM 7113 O O . HOH R 6 . ? -38.937 50.748 39.744 1.00 31.10 ? 713 HOH B O 1 HETATM 7114 O O . HOH R 6 . ? -11.152 37.961 2.792 1.00 33.38 ? 714 HOH B O 1 HETATM 7115 O O . HOH R 6 . ? -30.335 33.278 21.094 1.00 22.04 ? 715 HOH B O 1 HETATM 7116 O O . HOH R 6 . ? -14.514 44.924 26.292 1.00 30.42 ? 716 HOH B O 1 HETATM 7117 O O . HOH R 6 . ? -4.888 39.441 16.320 1.00 25.68 ? 717 HOH B O 1 HETATM 7118 O O . HOH R 6 . ? -37.831 31.069 23.927 1.00 31.20 ? 718 HOH B O 1 HETATM 7119 O O . HOH R 6 . ? -54.362 41.090 2.920 1.00 25.77 ? 719 HOH B O 1 HETATM 7120 O O . HOH R 6 . ? -21.854 52.704 29.242 1.00 39.30 ? 720 HOH B O 1 HETATM 7121 O O . HOH R 6 . ? -21.129 59.097 -5.470 1.00 24.41 ? 721 HOH B O 1 HETATM 7122 O O . HOH R 6 . ? -43.080 38.323 27.367 1.00 41.14 ? 722 HOH B O 1 HETATM 7123 O O . HOH R 6 . ? -37.669 24.169 21.340 1.00 20.73 ? 723 HOH B O 1 HETATM 7124 O O . HOH R 6 . ? -25.864 35.806 22.652 1.00 23.16 ? 724 HOH B O 1 HETATM 7125 O O . HOH R 6 . ? -14.775 27.280 5.457 1.00 23.91 ? 725 HOH B O 1 HETATM 7126 O O . HOH R 6 . ? -10.350 52.674 21.051 1.00 26.50 ? 726 HOH B O 1 HETATM 7127 O O . HOH R 6 . ? -19.492 52.609 -6.203 1.00 41.18 ? 727 HOH B O 1 HETATM 7128 O O . HOH R 6 . ? -13.448 56.222 17.856 1.00 35.54 ? 728 HOH B O 1 HETATM 7129 O O . HOH R 6 . ? -49.994 38.093 5.104 1.00 25.63 ? 729 HOH B O 1 HETATM 7130 O O . HOH R 6 . ? -46.901 57.988 32.476 1.00 25.94 ? 730 HOH B O 1 HETATM 7131 O O . HOH R 6 . ? -5.616 40.153 6.516 1.00 24.79 ? 731 HOH B O 1 HETATM 7132 O O . HOH R 6 . ? -41.186 32.679 -8.593 1.00 22.16 ? 732 HOH B O 1 HETATM 7133 O O . HOH R 6 . ? -28.066 66.100 22.782 1.00 21.16 ? 733 HOH B O 1 HETATM 7134 O O . HOH R 6 . ? -6.488 57.929 11.993 1.00 28.08 ? 734 HOH B O 1 HETATM 7135 O O . HOH R 6 . ? -39.810 41.078 35.845 1.00 39.28 ? 735 HOH B O 1 HETATM 7136 O O . HOH R 6 . ? -22.473 63.835 19.914 1.00 30.06 ? 736 HOH B O 1 HETATM 7137 O O . HOH R 6 . ? -29.704 49.434 36.515 1.00 40.71 ? 737 HOH B O 1 HETATM 7138 O O . HOH R 6 . ? -14.167 30.333 4.503 1.00 43.79 ? 738 HOH B O 1 HETATM 7139 O O . HOH R 6 . ? -21.306 25.993 8.682 1.00 42.87 ? 739 HOH B O 1 HETATM 7140 O O . HOH R 6 . ? -37.047 58.824 37.136 1.00 36.34 ? 740 HOH B O 1 HETATM 7141 O O . HOH R 6 . ? -20.386 44.361 -9.777 1.00 25.89 ? 741 HOH B O 1 HETATM 7142 O O . HOH R 6 . ? -30.258 40.726 26.710 1.00 32.75 ? 742 HOH B O 1 HETATM 7143 O O . HOH R 6 . ? -36.317 26.706 -7.332 1.00 25.84 ? 743 HOH B O 1 HETATM 7144 O O . HOH R 6 . ? -36.351 26.351 -4.509 1.00 33.23 ? 744 HOH B O 1 HETATM 7145 O O . HOH R 6 . ? -35.276 50.588 -11.761 1.00 28.84 ? 745 HOH B O 1 HETATM 7146 O O . HOH R 6 . ? -10.909 52.445 23.698 1.00 40.27 ? 746 HOH B O 1 HETATM 7147 O O . HOH R 6 . ? -28.854 21.865 4.615 1.00 33.01 ? 747 HOH B O 1 HETATM 7148 O O . HOH R 6 . ? -51.688 49.773 33.929 1.00 27.98 ? 748 HOH B O 1 HETATM 7149 O O . HOH R 6 . ? -5.099 39.756 13.644 1.00 22.45 ? 749 HOH B O 1 HETATM 7150 O O . HOH R 6 . ? -19.427 27.095 7.743 1.00 30.33 ? 750 HOH B O 1 HETATM 7151 O O . HOH R 6 . ? -52.082 40.319 36.465 1.00 28.02 ? 751 HOH B O 1 HETATM 7152 O O . HOH R 6 . ? -19.853 63.668 23.040 1.00 37.63 ? 752 HOH B O 1 HETATM 7153 O O . HOH R 6 . ? -49.236 51.883 33.875 1.00 20.13 ? 753 HOH B O 1 HETATM 7154 O O . HOH R 6 . ? -53.134 42.070 6.150 1.00 40.46 ? 755 HOH B O 1 HETATM 7155 O O . HOH R 6 . ? -5.610 48.987 -4.336 1.00 47.05 ? 756 HOH B O 1 HETATM 7156 O O . HOH R 6 . ? -32.346 20.747 18.135 1.00 36.80 ? 757 HOH B O 1 HETATM 7157 O O . HOH R 6 . ? -48.366 40.324 5.140 1.00 34.98 ? 758 HOH B O 1 HETATM 7158 O O . HOH R 6 . ? -22.049 31.919 -12.357 1.00 29.02 ? 759 HOH B O 1 HETATM 7159 O O . HOH R 6 . ? -9.315 54.791 -4.543 1.00 45.77 ? 760 HOH B O 1 HETATM 7160 O O . HOH R 6 . ? -40.771 53.826 14.532 1.00 33.37 ? 761 HOH B O 1 HETATM 7161 O O . HOH R 6 . ? -48.239 58.959 8.716 1.00 26.29 ? 762 HOH B O 1 HETATM 7162 O O . HOH R 6 . ? -30.504 56.757 29.846 1.00 29.27 ? 763 HOH B O 1 HETATM 7163 O O . HOH R 6 . ? -53.853 52.287 10.433 1.00 32.34 ? 764 HOH B O 1 HETATM 7164 O O . HOH R 6 . ? -34.035 53.747 38.627 1.00 40.13 ? 765 HOH B O 1 HETATM 7165 O O . HOH R 6 . ? -40.163 27.922 -6.383 1.00 45.46 ? 766 HOH B O 1 HETATM 7166 O O . HOH R 6 . ? -27.937 22.549 15.389 1.00 27.95 ? 767 HOH B O 1 HETATM 7167 O O . HOH R 6 . ? -54.318 59.503 33.223 1.00 41.05 ? 768 HOH B O 1 HETATM 7168 O O . HOH R 6 . ? -47.880 58.621 5.758 1.00 35.43 ? 769 HOH B O 1 HETATM 7169 O O . HOH R 6 . ? -16.936 59.541 24.786 1.00 34.06 ? 770 HOH B O 1 HETATM 7170 O O . HOH R 6 . ? -11.617 57.148 2.352 1.00 29.36 ? 771 HOH B O 1 HETATM 7171 O O . HOH R 6 . ? -32.560 25.077 3.889 1.00 26.10 ? 772 HOH B O 1 HETATM 7172 O O . HOH R 6 . ? -11.086 51.721 26.108 1.00 38.97 ? 773 HOH B O 1 HETATM 7173 O O . HOH R 6 . ? -26.212 65.191 -0.792 1.00 32.23 ? 774 HOH B O 1 HETATM 7174 O O . HOH R 6 . ? -51.508 39.596 -4.994 1.00 51.88 ? 775 HOH B O 1 HETATM 7175 O O . HOH R 6 . ? -17.393 44.031 -3.753 1.00 29.22 ? 776 HOH B O 1 HETATM 7176 O O . HOH R 6 . ? -11.782 30.690 21.215 1.00 39.68 ? 777 HOH B O 1 HETATM 7177 O O . HOH R 6 . ? -39.966 30.440 22.638 1.00 23.88 ? 778 HOH B O 1 HETATM 7178 O O . HOH R 6 . ? -36.549 19.336 16.206 1.00 28.93 ? 779 HOH B O 1 HETATM 7179 O O . HOH R 6 . ? -45.302 50.874 -1.416 1.00 49.03 ? 780 HOH B O 1 HETATM 7180 O O . HOH R 6 . ? -22.668 35.516 26.166 1.00 40.38 ? 781 HOH B O 1 HETATM 7181 O O . HOH R 6 . ? -23.263 23.508 14.050 1.00 41.01 ? 782 HOH B O 1 HETATM 7182 O O . HOH R 6 . ? -14.766 57.619 20.131 1.00 47.77 ? 783 HOH B O 1 HETATM 7183 O O . HOH R 6 . ? -12.796 47.681 -2.824 1.00 36.72 ? 784 HOH B O 1 HETATM 7184 O O . HOH R 6 . ? -3.159 42.807 18.427 1.00 30.19 ? 785 HOH B O 1 HETATM 7185 O O . HOH R 6 . ? -16.525 40.452 29.177 1.00 47.01 ? 786 HOH B O 1 HETATM 7186 O O . HOH R 6 . ? -2.065 52.143 6.950 1.00 60.66 ? 787 HOH B O 1 HETATM 7187 O O . HOH R 6 . ? -33.685 50.833 -16.411 1.00 47.46 ? 788 HOH B O 1 HETATM 7188 O O . HOH R 6 . ? -25.563 25.041 -3.527 1.00 40.10 ? 789 HOH B O 1 HETATM 7189 O O . HOH R 6 . ? -49.430 58.503 35.762 1.00 39.33 ? 790 HOH B O 1 HETATM 7190 O O . HOH R 6 . ? -32.547 64.025 -4.973 1.00 31.87 ? 791 HOH B O 1 HETATM 7191 O O . HOH R 6 . ? -49.133 53.595 5.923 1.00 24.38 ? 792 HOH B O 1 HETATM 7192 O O . HOH R 6 . ? -52.039 43.895 7.512 1.00 25.97 ? 793 HOH B O 1 HETATM 7193 O O . HOH R 6 . ? -14.253 48.568 29.615 1.00 51.32 ? 794 HOH B O 1 HETATM 7194 O O . HOH R 6 . ? -43.265 52.354 -2.013 1.00 34.04 ? 795 HOH B O 1 HETATM 7195 O O . HOH R 6 . ? -27.807 62.363 -0.583 1.00 36.15 ? 796 HOH B O 1 HETATM 7196 O O . HOH R 6 . ? -10.748 34.712 18.737 1.00 26.73 ? 797 HOH B O 1 HETATM 7197 O O . HOH R 6 . ? -5.626 37.163 12.773 1.00 24.96 ? 798 HOH B O 1 HETATM 7198 O O . HOH R 6 . ? -18.646 68.806 10.911 1.00 46.96 ? 799 HOH B O 1 HETATM 7199 O O . HOH R 6 . ? -26.471 42.901 -12.568 1.00 41.17 ? 800 HOH B O 1 HETATM 7200 O O . HOH R 6 . ? -8.167 50.648 -6.371 1.00 48.07 ? 807 HOH B O 1 HETATM 7201 O O . HOH R 6 . ? -11.829 35.144 3.761 1.00 25.60 ? 808 HOH B O 1 HETATM 7202 O O . HOH R 6 . ? -17.215 58.002 27.159 1.00 36.73 ? 809 HOH B O 1 HETATM 7203 O O . HOH R 6 . ? -15.224 59.303 22.216 1.00 42.44 ? 810 HOH B O 1 HETATM 7204 O O . HOH R 6 . ? -6.064 37.109 16.833 1.00 30.95 ? 811 HOH B O 1 HETATM 7205 O O . HOH R 6 . ? -46.340 34.658 -6.083 1.00 28.72 ? 812 HOH B O 1 HETATM 7206 O O . HOH R 6 . ? -20.343 33.832 -12.884 1.00 46.72 ? 813 HOH B O 1 HETATM 7207 O O . HOH R 6 . ? -17.652 53.312 28.011 1.00 28.91 ? 814 HOH B O 1 HETATM 7208 O O . HOH R 6 . ? -36.229 36.389 30.839 1.00 35.61 ? 815 HOH B O 1 HETATM 7209 O O . HOH R 6 . ? -26.346 22.939 2.432 1.00 36.55 ? 816 HOH B O 1 HETATM 7210 O O . HOH R 6 . ? -27.524 42.033 -10.355 1.00 26.50 ? 817 HOH B O 1 HETATM 7211 O O . HOH R 6 . ? -29.082 62.039 -11.765 1.00 44.95 ? 818 HOH B O 1 HETATM 7212 O O . HOH R 6 . ? -36.923 53.676 12.182 1.00 26.92 ? 819 HOH B O 1 HETATM 7213 O O . HOH R 6 . ? -31.419 52.543 35.916 1.00 37.11 ? 820 HOH B O 1 HETATM 7214 O O . HOH R 6 . ? -32.446 25.292 -4.291 1.00 34.73 ? 821 HOH B O 1 HETATM 7215 O O . HOH R 6 . ? -7.510 39.963 21.852 1.00 35.95 ? 822 HOH B O 1 HETATM 7216 O O . HOH R 6 . ? -16.069 61.095 1.681 1.00 32.27 ? 823 HOH B O 1 HETATM 7217 O O . HOH R 6 . ? -30.907 36.537 -11.570 1.00 28.64 ? 824 HOH B O 1 HETATM 7218 O O . HOH R 6 . ? -5.397 51.866 16.552 1.00 31.64 ? 825 HOH B O 1 HETATM 7219 O O . HOH R 6 . ? -15.140 24.689 16.074 1.00 33.19 ? 826 HOH B O 1 HETATM 7220 O O . HOH R 6 . ? -48.173 42.389 17.818 1.00 30.77 ? 827 HOH B O 1 HETATM 7221 O O . HOH R 6 . ? -50.733 41.840 -3.850 1.00 54.12 ? 828 HOH B O 1 HETATM 7222 O O . HOH R 6 . ? -2.289 49.669 25.903 1.00 50.04 ? 829 HOH B O 1 HETATM 7223 O O . HOH R 6 . ? -32.380 34.616 23.659 1.00 25.30 ? 830 HOH B O 1 HETATM 7224 O O . HOH R 6 . ? -34.944 62.770 28.760 1.00 44.85 ? 831 HOH B O 1 HETATM 7225 O O . HOH R 6 . ? -46.218 41.353 4.963 1.00 23.86 ? 832 HOH B O 1 HETATM 7226 O O . HOH R 6 . ? -15.165 43.825 -2.198 1.00 38.33 ? 833 HOH B O 1 HETATM 7227 O O . HOH R 6 . ? -2.023 48.050 8.722 1.00 44.51 ? 834 HOH B O 1 HETATM 7228 O O . HOH R 6 . ? -34.422 39.896 33.473 1.00 29.78 ? 835 HOH B O 1 HETATM 7229 O O . HOH R 6 . ? -49.313 40.381 35.699 1.00 36.48 ? 836 HOH B O 1 HETATM 7230 O O . HOH R 6 . ? -44.897 39.863 27.050 1.00 27.04 ? 838 HOH B O 1 HETATM 7231 O O . HOH R 6 . ? -15.055 34.177 27.264 1.00 53.73 ? 839 HOH B O 1 HETATM 7232 O O . HOH R 6 . ? -30.891 64.257 -8.007 1.00 43.08 ? 840 HOH B O 1 HETATM 7233 O O . HOH R 6 . ? -19.435 53.744 -3.670 1.00 29.95 ? 841 HOH B O 1 HETATM 7234 O O . HOH R 6 . ? -7.856 36.167 25.430 1.00 33.57 ? 842 HOH B O 1 HETATM 7235 O O . HOH R 6 . ? -29.628 25.205 -3.552 1.00 33.40 ? 843 HOH B O 1 HETATM 7236 O O . HOH R 6 . ? -9.989 34.139 2.072 1.00 47.19 ? 844 HOH B O 1 HETATM 7237 O O . HOH R 6 . ? -23.001 46.177 29.892 1.00 38.07 ? 845 HOH B O 1 HETATM 7238 O O . HOH R 6 . ? -43.757 35.387 40.295 1.00 50.55 ? 846 HOH B O 1 HETATM 7239 O O . HOH R 6 . ? -20.789 62.491 -2.790 1.00 58.51 ? 847 HOH B O 1 HETATM 7240 O O . HOH R 6 . ? -25.966 60.556 -1.356 1.00 36.01 ? 848 HOH B O 1 HETATM 7241 O O . HOH R 6 . ? -3.996 40.141 9.403 1.00 46.10 ? 849 HOH B O 1 HETATM 7242 O O . HOH R 6 . ? -19.867 67.140 14.843 1.00 35.17 ? 850 HOH B O 1 HETATM 7243 O O . HOH R 6 . ? -23.728 58.496 -9.718 1.00 39.08 ? 851 HOH B O 1 HETATM 7244 O O . HOH R 6 . ? -50.545 40.662 6.168 1.00 54.25 ? 852 HOH B O 1 HETATM 7245 O O . HOH R 6 . ? -50.958 43.511 -2.120 1.00 53.85 ? 853 HOH B O 1 HETATM 7246 O O . HOH R 6 . ? -18.017 68.711 3.459 1.00 44.74 ? 854 HOH B O 1 HETATM 7247 O O . HOH R 6 . ? -12.301 29.116 7.172 1.00 37.69 ? 857 HOH B O 1 HETATM 7248 O O . HOH R 6 . ? -20.377 39.454 27.102 1.00 41.87 ? 858 HOH B O 1 HETATM 7249 O O . HOH R 6 . ? -32.562 25.340 20.704 1.00 48.55 ? 860 HOH B O 1 HETATM 7250 O O . HOH R 6 . ? -39.116 27.424 0.286 1.00 43.72 ? 863 HOH B O 1 HETATM 7251 O O . HOH R 6 . ? -12.950 45.139 -3.001 1.00 37.06 ? 864 HOH B O 1 HETATM 7252 O O . HOH R 6 . ? -28.062 24.268 -6.102 1.00 56.64 ? 867 HOH B O 1 HETATM 7253 O O . HOH R 6 . ? -4.340 50.591 -0.702 1.00 44.73 ? 868 HOH B O 1 HETATM 7254 O O . HOH R 6 . ? -47.272 49.749 0.472 1.00 45.50 ? 869 HOH B O 1 HETATM 7255 O O . HOH R 6 . ? -21.729 63.678 -5.001 1.00 47.73 ? 873 HOH B O 1 HETATM 7256 O O . HOH R 6 . ? -33.862 40.540 36.255 1.00 47.42 ? 876 HOH B O 1 HETATM 7257 O O . HOH R 6 . ? -48.208 47.406 -4.259 1.00 60.67 ? 877 HOH B O 1 HETATM 7258 O O . HOH R 6 . ? -9.930 54.592 -0.528 1.00 39.54 ? 881 HOH B O 1 HETATM 7259 O O . HOH R 6 . ? -23.230 70.319 22.265 1.00 42.58 ? 883 HOH B O 1 HETATM 7260 O O . HOH R 6 . ? -41.761 36.658 41.364 1.00 54.26 ? 885 HOH B O 1 HETATM 7261 O O . HOH R 6 . ? -22.692 40.371 -11.026 1.00 47.45 ? 887 HOH B O 1 HETATM 7262 O O . HOH R 6 . ? -5.277 37.435 6.069 1.00 36.01 ? 889 HOH B O 1 HETATM 7263 O O . HOH R 6 . ? -16.267 29.169 -0.609 1.00 52.13 ? 890 HOH B O 1 HETATM 7264 O O . HOH R 6 . ? -35.408 65.032 29.693 1.00 42.34 ? 892 HOH B O 1 HETATM 7265 O O . HOH R 6 . ? -42.288 58.955 0.827 1.00 47.87 ? 894 HOH B O 1 HETATM 7266 O O . HOH R 6 . ? -26.311 65.838 -3.389 1.00 44.38 ? 895 HOH B O 1 HETATM 7267 O O . HOH R 6 . ? -39.501 47.521 39.088 1.00 43.25 ? 896 HOH B O 1 HETATM 7268 O O . HOH R 6 . ? -29.270 55.056 34.531 1.00 66.80 ? 897 HOH B O 1 HETATM 7269 O O . HOH R 6 . ? -36.719 26.390 1.247 1.00 46.22 ? 898 HOH B O 1 HETATM 7270 O O . HOH R 6 . ? -23.151 56.544 -11.541 1.00 39.74 ? 899 HOH B O 1 HETATM 7271 O O . HOH R 6 . ? -21.660 24.062 10.119 1.00 40.40 ? 902 HOH B O 1 HETATM 7272 O O . HOH R 6 . ? -18.007 35.793 -6.513 1.00 46.05 ? 904 HOH B O 1 HETATM 7273 O O . HOH R 6 . ? -25.817 39.480 -14.847 1.00 48.77 ? 905 HOH B O 1 HETATM 7274 O O . HOH R 6 . ? -24.716 46.891 -12.475 1.00 44.06 ? 907 HOH B O 1 HETATM 7275 O O . HOH R 6 . ? -27.558 61.319 30.322 1.00 55.73 ? 908 HOH B O 1 HETATM 7276 O O . HOH R 6 . ? -42.173 17.312 8.973 1.00 48.33 ? 910 HOH B O 1 HETATM 7277 O O . HOH R 6 . ? -52.913 39.618 4.551 1.00 47.05 ? 911 HOH B O 1 HETATM 7278 O O . HOH R 6 . ? -24.118 71.311 3.238 1.00 45.18 ? 912 HOH B O 1 HETATM 7279 O O . HOH R 6 . ? -13.308 49.082 -5.798 1.00 51.67 ? 913 HOH B O 1 HETATM 7280 O O . HOH R 6 . ? -13.774 45.829 28.573 1.00 43.53 ? 914 HOH B O 1 HETATM 7281 O O . HOH R 6 . ? -4.537 54.984 5.163 1.00 42.25 ? 915 HOH B O 1 HETATM 7282 O O . HOH R 6 . ? -49.862 48.969 2.807 1.00 64.08 ? 918 HOH B O 1 HETATM 7283 O O . HOH R 6 . ? -27.671 20.583 7.527 1.00 49.35 ? 922 HOH B O 1 HETATM 7284 O O . HOH R 6 . ? -13.443 38.101 0.696 1.00 52.54 ? 923 HOH B O 1 HETATM 7285 O O . HOH R 6 . ? -13.440 31.704 2.333 1.00 41.84 ? 924 HOH B O 1 HETATM 7286 O O . HOH R 6 . ? -29.976 64.282 27.855 1.00 56.68 ? 925 HOH B O 1 HETATM 7287 O O . HOH R 6 . ? -13.568 42.616 27.239 1.00 53.19 ? 928 HOH B O 1 HETATM 7288 O O . HOH R 6 . ? -0.947 47.945 22.624 1.00 49.15 ? 929 HOH B O 1 HETATM 7289 O O . HOH R 6 . ? 0.050 42.176 16.129 1.00 50.76 ? 936 HOH B O 1 HETATM 7290 O O . HOH R 6 . ? -41.461 46.244 40.243 1.00 51.49 ? 940 HOH B O 1 HETATM 7291 O O . HOH R 6 . ? -40.812 43.354 39.828 1.00 49.99 ? 943 HOH B O 1 HETATM 7292 O O . HOH R 6 . ? -37.180 20.776 5.113 1.00 54.73 ? 945 HOH B O 1 HETATM 7293 O O . HOH R 6 . ? -37.662 43.755 37.631 1.00 38.57 ? 947 HOH B O 1 HETATM 7294 O O . HOH R 6 . ? -7.695 55.150 -12.568 1.00 55.74 ? 949 HOH B O 1 HETATM 7295 O O . HOH R 6 . ? -29.880 57.490 32.218 1.00 62.77 ? 952 HOH B O 1 HETATM 7296 O O . HOH R 6 . ? -27.826 49.968 -13.365 1.00 41.57 ? 953 HOH B O 1 HETATM 7297 O O . HOH R 6 . ? -35.169 34.637 28.315 1.00 39.75 ? 955 HOH B O 1 HETATM 7298 O O . HOH R 6 . ? -51.064 56.596 9.034 1.00 50.02 ? 957 HOH B O 1 HETATM 7299 O O . HOH R 6 . ? -5.136 51.346 -3.233 1.00 48.11 ? 959 HOH B O 1 HETATM 7300 O O . HOH R 6 . ? -36.202 40.136 37.353 1.00 54.90 ? 960 HOH B O 1 HETATM 7301 O O . HOH R 6 . ? -48.447 36.346 -5.032 1.00 40.88 ? 966 HOH B O 1 HETATM 7302 O O . HOH R 6 . ? -6.822 30.150 10.095 1.00 53.08 ? 967 HOH B O 1 HETATM 7303 O O . HOH R 6 . ? -51.035 51.397 6.677 1.00 45.80 ? 968 HOH B O 1 HETATM 7304 O O . HOH R 6 . ? -22.188 23.192 7.495 1.00 50.27 ? 971 HOH B O 1 HETATM 7305 O O . HOH R 6 . ? -30.058 41.696 -16.527 1.00 54.90 ? 972 HOH B O 1 HETATM 7306 O O . HOH R 6 . ? -33.669 55.433 36.633 1.00 49.95 ? 973 HOH B O 1 HETATM 7307 O O . HOH R 6 . ? -32.769 37.079 29.088 1.00 45.69 ? 974 HOH B O 1 HETATM 7308 O O . HOH R 6 . ? -33.853 60.387 31.464 1.00 46.48 ? 978 HOH B O 1 HETATM 7309 O O . HOH R 6 . ? -57.026 61.699 33.745 1.00 69.66 ? 981 HOH B O 1 HETATM 7310 O O . HOH R 6 . ? -17.257 25.492 -0.808 1.00 53.82 ? 982 HOH B O 1 HETATM 7311 O O . HOH R 6 . ? -9.513 49.479 -8.288 1.00 51.17 ? 983 HOH B O 1 HETATM 7312 O O . HOH R 6 . ? -45.717 38.390 32.873 1.00 39.76 ? 984 HOH B O 1 HETATM 7313 O O . HOH R 6 . ? -41.556 20.054 16.253 1.00 47.98 ? 988 HOH B O 1 HETATM 7314 O O . HOH R 6 . ? -36.651 36.342 -11.682 1.00 42.58 ? 989 HOH B O 1 HETATM 7315 O O . HOH R 6 . ? -16.391 61.575 18.490 1.00 45.17 ? 990 HOH B O 1 HETATM 7316 O O . HOH R 6 . ? -33.380 59.757 29.005 1.00 29.47 ? 991 HOH B O 1 HETATM 7317 O O . HOH R 6 . ? -30.553 26.818 19.981 1.00 36.84 ? 992 HOH B O 1 HETATM 7318 O O . HOH R 6 . ? -26.412 49.738 33.646 1.00 26.91 ? 993 HOH B O 1 HETATM 7319 O O . HOH R 6 . ? -31.222 46.686 -18.045 1.00 64.49 ? 998 HOH B O 1 HETATM 7320 O O . HOH R 6 . ? -15.484 58.067 -10.124 1.00 42.49 ? 999 HOH B O 1 HETATM 7321 O O . HOH R 6 . ? -25.417 64.203 27.897 1.00 53.31 ? 1004 HOH B O 1 HETATM 7322 O O . HOH R 6 . ? -17.010 22.382 12.252 1.00 57.44 ? 1009 HOH B O 1 HETATM 7323 O O . HOH R 6 . ? -50.178 38.324 7.605 1.00 55.02 ? 1011 HOH B O 1 HETATM 7324 O O . HOH R 6 . ? -52.927 54.877 9.787 1.00 38.91 ? 1012 HOH B O 1 HETATM 7325 O O . HOH R 6 . ? -37.900 34.024 31.067 1.00 50.20 ? 1013 HOH B O 1 HETATM 7326 O O . HOH R 6 . ? -33.854 59.787 34.021 1.00 50.27 ? 1016 HOH B O 1 HETATM 7327 O O . HOH R 6 . ? -44.122 32.408 25.420 1.00 50.37 ? 1019 HOH B O 1 HETATM 7328 O O . HOH R 6 . ? -19.031 52.364 -10.324 1.00 44.10 ? 1020 HOH B O 1 HETATM 7329 O O . HOH R 6 . ? -37.166 19.915 7.676 1.00 52.24 ? 1024 HOH B O 1 HETATM 7330 O O . HOH R 6 . ? -50.147 54.328 8.797 1.00 43.80 ? 1025 HOH B O 1 HETATM 7331 O O . HOH R 6 . ? -21.275 37.746 -11.486 1.00 50.41 ? 1026 HOH B O 1 HETATM 7332 O O . HOH R 6 . ? -30.606 23.910 -5.341 1.00 64.97 ? 1031 HOH B O 1 HETATM 7333 O O . HOH R 6 . ? -32.163 49.907 -18.929 1.00 52.80 ? 1032 HOH B O 1 HETATM 7334 O O . HOH R 6 . ? -13.760 59.199 -4.284 1.00 56.06 ? 1034 HOH B O 1 HETATM 7335 O O . HOH R 6 . ? -41.722 33.034 25.483 1.00 46.49 ? 1039 HOH B O 1 HETATM 7336 O O . HOH R 6 . ? -12.945 25.048 4.618 1.00 57.43 ? 1044 HOH B O 1 HETATM 7337 O O . HOH R 6 . ? -23.406 48.991 31.936 1.00 40.35 ? 1045 HOH B O 1 HETATM 7338 O O . HOH R 6 . ? -16.420 52.826 -10.500 1.00 55.45 ? 1046 HOH B O 1 HETATM 7339 O O . HOH R 6 . ? -9.204 29.388 12.665 1.00 51.88 ? 1050 HOH B O 1 HETATM 7340 O O . HOH R 6 . ? -39.795 39.266 34.043 1.00 58.42 ? 1052 HOH B O 1 HETATM 7341 O O . HOH R 6 . ? -30.378 62.316 -1.389 1.00 49.46 ? 1053 HOH B O 1 HETATM 7342 O O . HOH R 6 . ? -49.365 45.688 -2.538 1.00 51.59 ? 1054 HOH B O 1 HETATM 7343 O O . HOH R 6 . ? -43.574 34.663 26.731 1.00 39.36 ? 1055 HOH B O 1 HETATM 7344 O O . HOH R 6 . ? -17.190 32.905 -5.741 1.00 44.85 ? 1056 HOH B O 1 HETATM 7345 O O . HOH R 6 . ? -19.389 64.688 -2.570 1.00 54.32 ? 1057 HOH B O 1 HETATM 7346 O O . HOH R 6 . ? -25.599 62.997 -2.135 1.00 56.34 ? 1062 HOH B O 1 HETATM 7347 O O . HOH R 6 . ? -14.986 20.740 11.397 1.00 57.01 ? 1064 HOH B O 1 HETATM 7348 O O . HOH R 6 . ? -33.029 56.322 34.277 1.00 50.94 ? 1065 HOH B O 1 HETATM 7349 O O . HOH R 6 . ? -8.680 50.451 26.735 1.00 70.32 ? 1067 HOH B O 1 HETATM 7350 O O . HOH R 6 . ? -52.392 48.423 2.379 1.00 60.35 ? 1068 HOH B O 1 HETATM 7351 O O . HOH R 6 . ? -27.706 24.906 -2.001 1.00 72.37 ? 1069 HOH B O 1 HETATM 7352 O O . HOH R 6 . ? -27.599 25.596 21.921 1.00 32.91 ? 1072 HOH B O 1 HETATM 7353 O O . HOH R 6 . ? -12.159 35.613 29.004 1.00 55.60 ? 1076 HOH B O 1 HETATM 7354 O O . HOH R 6 . ? -22.595 37.749 27.468 1.00 55.19 ? 1077 HOH B O 1 HETATM 7355 O O . HOH R 6 . ? -6.759 46.543 26.062 1.00 48.94 ? 1079 HOH B O 1 HETATM 7356 O O . HOH R 6 . ? -20.308 26.121 -5.999 1.00 59.81 ? 1080 HOH B O 1 HETATM 7357 O O . HOH R 6 . ? -45.319 49.525 -6.499 1.00 49.71 ? 1083 HOH B O 1 HETATM 7358 O O . HOH R 6 . ? -3.661 51.825 26.576 1.00 57.82 ? 1086 HOH B O 1 HETATM 7359 O O . HOH R 6 . ? -46.345 56.620 38.677 1.00 49.62 ? 1087 HOH B O 1 HETATM 7360 O O . HOH R 6 . ? -2.755 47.735 17.743 1.00 52.22 ? 1089 HOH B O 1 HETATM 7361 O O . HOH R 6 . ? -3.066 56.943 9.704 1.00 48.81 ? 1092 HOH B O 1 HETATM 7362 O O . HOH R 6 . ? -26.479 53.104 34.556 1.00 51.45 ? 1094 HOH B O 1 HETATM 7363 O O . HOH R 6 . ? -13.827 41.620 -0.445 1.00 49.67 ? 1095 HOH B O 1 HETATM 7364 O O . HOH R 6 . ? -36.746 28.744 24.589 1.00 49.48 ? 1096 HOH B O 1 HETATM 7365 O O . HOH R 6 . ? -12.499 35.667 0.874 1.00 59.73 ? 1097 HOH B O 1 HETATM 7366 O O . HOH R 6 . ? -6.175 54.213 19.285 1.00 47.63 ? 1098 HOH B O 1 HETATM 7367 O O . HOH R 6 . ? -6.058 38.354 26.492 1.00 59.11 ? 1104 HOH B O 1 HETATM 7368 O O . HOH R 6 . ? -8.374 56.615 -0.361 1.00 48.07 ? 1105 HOH B O 1 HETATM 7369 O O . HOH R 6 . ? -11.218 27.786 12.911 1.00 64.25 ? 1107 HOH B O 1 HETATM 7370 O O . HOH R 6 . ? -33.851 41.927 -16.805 1.00 57.15 ? 1113 HOH B O 1 HETATM 7371 O O . HOH R 6 . ? -30.576 50.840 -13.657 1.00 39.75 ? 1118 HOH B O 1 HETATM 7372 O O . HOH R 6 . ? -35.786 50.173 -15.027 1.00 53.59 ? 1119 HOH B O 1 HETATM 7373 O O . HOH R 6 . ? -14.616 63.881 14.341 1.00 51.05 ? 1120 HOH B O 1 HETATM 7374 O O . HOH R 6 . ? -36.082 65.068 -11.356 1.00 49.81 ? 1121 HOH B O 1 HETATM 7375 O O . HOH R 6 . ? -17.518 60.222 22.268 1.00 62.61 ? 1124 HOH B O 1 HETATM 7376 O O . HOH R 6 . ? -2.153 39.648 17.530 1.00 57.02 ? 1126 HOH B O 1 HETATM 7377 O O . HOH R 6 . ? -11.158 61.080 16.928 1.00 49.78 ? 1128 HOH B O 1 HETATM 7378 O O . HOH R 6 . ? -15.583 56.779 25.349 1.00 51.29 ? 1131 HOH B O 1 HETATM 7379 O O . HOH R 6 . ? -43.373 44.186 42.185 1.00 51.56 ? 1133 HOH B O 1 HETATM 7380 O O . HOH R 6 . ? -31.427 66.039 26.577 1.00 46.87 ? 1136 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . PRO A 1 ? 0.5618 0.5802 0.6846 0.0668 -0.0087 -0.0696 82 PRO A N 2 C CA . PRO A 1 ? 0.5419 0.5475 0.6420 0.0684 -0.0079 -0.0796 82 PRO A CA 3 C C . PRO A 1 ? 0.4966 0.4885 0.5460 0.0645 0.0069 -0.0953 82 PRO A C 4 O O . PRO A 1 ? 0.5035 0.4846 0.5471 0.0548 0.0280 -0.0820 82 PRO A O 5 C CB . PRO A 1 ? 0.5598 0.5702 0.6793 0.0667 -0.0178 -0.0743 82 PRO A CB 6 C CG . PRO A 1 ? 0.5729 0.5907 0.7002 0.0577 -0.0204 -0.0702 82 PRO A CG 7 C CD . PRO A 1 ? 0.5721 0.5926 0.6988 0.0576 -0.0184 -0.0697 82 PRO A CD 8 N N . GLU A 2 ? 0.4355 0.4316 0.4367 0.0761 0.0104 -0.1224 83 GLU A N 9 C CA . GLU A 2 ? 0.3930 0.4012 0.3737 0.0721 -0.0008 -0.1046 83 GLU A CA 10 C C . GLU A 2 ? 0.2928 0.3138 0.2528 0.0843 -0.0149 -0.0980 83 GLU A C 11 O O . GLU A 2 ? 0.2765 0.2855 0.2681 0.0886 -0.0193 -0.0840 83 GLU A O 12 C CB . GLU A 2 ? 0.4644 0.4708 0.4922 0.0599 -0.0062 -0.0717 83 GLU A CB 13 C CG . GLU A 2 ? 0.5386 0.5338 0.6015 0.0261 -0.0272 -0.0393 83 GLU A CG 14 C CD . GLU A 2 ? 0.5999 0.5853 0.6992 -0.0044 -0.0346 0.0068 83 GLU A CD 15 O OE1 . GLU A 2 ? 0.6190 0.6035 0.7370 -0.0199 -0.0425 0.0155 83 GLU A OE1 16 O OE2 . GLU A 2 ? 0.6246 0.6039 0.7314 -0.0109 -0.0286 0.0361 83 GLU A OE2 17 N N . PHE A 3 ? 0.2286 0.2605 0.1727 0.0768 -0.0377 -0.0817 84 PHE A N 18 C CA . PHE A 3 ? 0.2005 0.2399 0.1231 0.0558 -0.0329 -0.0621 84 PHE A CA 19 C C . PHE A 3 ? 0.1918 0.2428 0.1551 0.0419 -0.0340 -0.0781 84 PHE A C 20 O O . PHE A 3 ? 0.2002 0.2793 0.1942 0.0148 -0.0372 -0.1037 84 PHE A O 21 C CB . PHE A 3 ? 0.1873 0.2360 0.1224 0.0632 -0.0429 -0.0488 84 PHE A CB 22 C CG . PHE A 3 ? 0.1951 0.2271 0.0979 0.0385 -0.0107 -0.0455 84 PHE A CG 23 C CD1 . PHE A 3 ? 0.1815 0.2232 0.1084 0.0406 -0.0023 -0.0444 84 PHE A CD1 24 C CD2 . PHE A 3 ? 0.2100 0.2443 0.1097 0.0359 -0.0294 -0.0347 84 PHE A CD2 25 C CE1 . PHE A 3 ? 0.2155 0.2370 0.1447 0.0489 0.0090 -0.0415 84 PHE A CE1 26 C CE2 . PHE A 3 ? 0.2086 0.2471 0.0913 0.0284 -0.0358 -0.0520 84 PHE A CE2 27 C CZ . PHE A 3 ? 0.2195 0.2495 0.1243 0.0387 -0.0184 -0.0302 84 PHE A CZ 28 N N . LEU A 4 ? 0.1860 0.2204 0.1608 0.0519 -0.0215 -0.0468 85 LEU A N 29 C CA . LEU A 4 ? 0.1973 0.2187 0.1701 0.0206 -0.0386 -0.0410 85 LEU A CA 30 C C . LEU A 4 ? 0.2017 0.2152 0.1722 0.0149 -0.0579 -0.0561 85 LEU A C 31 O O . LEU A 4 ? 0.1983 0.2184 0.1756 0.0207 -0.0463 -0.0617 85 LEU A O 32 C CB . LEU A 4 ? 0.2494 0.2377 0.1913 0.0211 -0.0106 -0.0040 85 LEU A CB 33 C CG . LEU A 4 ? 0.2792 0.2549 0.1941 0.0026 -0.0043 0.0059 85 LEU A CG 34 C CD1 . LEU A 4 ? 0.2868 0.2610 0.2066 -0.0129 -0.0380 0.0197 85 LEU A CD1 35 C CD2 . LEU A 4 ? 0.2991 0.2632 0.2255 -0.0073 0.0067 -0.0126 85 LEU A CD2 36 N N . ASN A 5 ? 0.2085 0.2290 0.1312 0.0061 -0.0597 -0.0557 86 ASN A N 37 C CA . ASN A 5 ? 0.2104 0.2228 0.0977 -0.0189 -0.0473 -0.0423 86 ASN A CA 38 C C . ASN A 5 ? 0.1868 0.1969 0.1243 -0.0231 -0.0368 -0.0228 86 ASN A C 39 O O . ASN A 5 ? 0.1684 0.1793 0.1616 -0.0119 -0.0044 -0.0142 86 ASN A O 40 C CB . ASN A 5 ? 0.2690 0.2484 0.1223 -0.0429 -0.0372 -0.0794 86 ASN A CB 41 C CG . ASN A 5 ? 0.3163 0.2795 0.2502 -0.0726 -0.0462 -0.0553 86 ASN A CG 42 O OD1 . ASN A 5 ? 0.3513 0.3196 0.2971 -0.0500 -0.0395 -0.0388 86 ASN A OD1 43 N ND2 . ASN A 5 ? 0.3366 0.2879 0.2945 -0.0862 -0.0601 -0.0385 86 ASN A ND2 44 N N . ASN A 6 ? 0.1951 0.1955 0.1427 -0.0351 -0.0461 0.0096 87 ASN A N 45 C CA . ASN A 6 ? 0.2239 0.2071 0.1190 -0.0264 -0.0496 -0.0115 87 ASN A CA 46 C C . ASN A 6 ? 0.2183 0.2045 0.1221 -0.0210 -0.0515 -0.0170 87 ASN A C 47 O O . ASN A 6 ? 0.2213 0.2189 0.1199 -0.0303 -0.0463 -0.0192 87 ASN A O 48 C CB . ASN A 6 ? 0.2460 0.2124 0.0804 -0.0258 -0.1022 0.0116 87 ASN A CB 49 C CG . ASN A 6 ? 0.2786 0.2237 0.1397 -0.0319 -0.0799 -0.0024 87 ASN A CG 50 O OD1 . ASN A 6 ? 0.2809 0.2307 0.1321 -0.0225 -0.0567 -0.0179 87 ASN A OD1 51 N ND2 . ASN A 6 ? 0.3095 0.2336 0.1923 -0.0272 -0.1024 0.0105 87 ASN A ND2 52 N N . THR A 7 ? 0.2032 0.1992 0.1227 -0.0117 -0.0594 0.0106 88 THR A N 53 C CA . THR A 7 ? 0.2146 0.1976 0.1418 -0.0220 -0.0455 0.0119 88 THR A CA 54 C C . THR A 7 ? 0.2139 0.1838 0.1300 -0.0130 -0.0287 -0.0033 88 THR A C 55 O O . THR A 7 ? 0.2337 0.1998 0.1245 -0.0055 -0.0170 -0.0069 88 THR A O 56 C CB . THR A 7 ? 0.2384 0.2252 0.1470 -0.0294 -0.0388 0.0051 88 THR A CB 57 O OG1 . THR A 7 ? 0.2627 0.2644 0.1098 -0.0217 -0.0255 0.0270 88 THR A OG1 58 C CG2 . THR A 7 ? 0.2410 0.2338 0.1822 -0.0465 -0.0396 -0.0029 88 THR A CG2 59 N N . GLU A 8 ? 0.2084 0.1581 0.1347 -0.0273 -0.0186 0.0030 89 GLU A N 60 C CA . GLU A 8 ? 0.2054 0.1615 0.1144 -0.0119 0.0117 -0.0025 89 GLU A CA 61 C C . GLU A 8 ? 0.1983 0.1627 0.1355 -0.0250 -0.0150 -0.0180 89 GLU A C 62 O O . GLU A 8 ? 0.2116 0.1592 0.1239 -0.0268 -0.0357 -0.0149 89 GLU A O 63 C CB . GLU A 8 ? 0.2323 0.1807 0.1456 0.0160 0.0154 0.0069 89 GLU A CB 64 C CG . GLU A 8 ? 0.2498 0.2162 0.2049 0.0373 0.0279 0.0186 89 GLU A CG 65 C CD . GLU A 8 ? 0.2812 0.2403 0.2658 0.0418 0.0410 0.0264 89 GLU A CD 66 O OE1 . GLU A 8 ? 0.2738 0.2339 0.2885 0.0314 0.0172 -0.0093 89 GLU A OE1 67 O OE2 . GLU A 8 ? 0.3061 0.2685 0.3357 0.0342 0.0456 0.0670 89 GLU A OE2 68 N N . PRO A 9 ? 0.1909 0.1790 0.1118 -0.0281 -0.0197 -0.0215 90 PRO A N 69 C CA . PRO A 9 ? 0.1793 0.1919 0.1173 -0.0198 -0.0186 -0.0134 90 PRO A CA 70 C C . PRO A 9 ? 0.1676 0.1837 0.1211 0.0001 -0.0271 -0.0135 90 PRO A C 71 O O . PRO A 9 ? 0.2014 0.1734 0.1553 -0.0213 -0.0259 0.0123 90 PRO A O 72 C CB . PRO A 9 ? 0.1971 0.2097 0.1608 -0.0201 -0.0502 -0.0107 90 PRO A CB 73 C CG . PRO A 9 ? 0.1848 0.1880 0.1841 -0.0302 -0.0392 -0.0311 90 PRO A CG 74 C CD . PRO A 9 ? 0.1827 0.1814 0.1645 -0.0442 -0.0465 -0.0376 90 PRO A CD 75 N N . LEU A 10 ? 0.1629 0.1830 0.1010 0.0274 -0.0434 -0.0310 91 LEU A N 76 C CA . LEU A 10 ? 0.1591 0.1631 0.1098 0.0254 -0.0382 -0.0211 91 LEU A CA 77 C C . LEU A 10 ? 0.1557 0.1475 0.1496 0.0197 -0.0365 -0.0079 91 LEU A C 78 O O . LEU A 10 ? 0.1644 0.1315 0.1832 0.0293 -0.0458 0.0116 91 LEU A O 79 C CB . LEU A 10 ? 0.1462 0.1757 0.1142 0.0205 -0.0480 -0.0247 91 LEU A CB 80 C CG . LEU A 10 ? 0.1196 0.1849 0.1136 0.0241 -0.0212 -0.0259 91 LEU A CG 81 C CD1 . LEU A 10 ? 0.1083 0.1866 0.1541 0.0238 -0.0019 -0.0505 91 LEU A CD1 82 C CD2 . LEU A 10 ? 0.1294 0.1860 0.1384 0.0086 0.0033 -0.0387 91 LEU A CD2 83 N N . CYS A 11 ? 0.1578 0.1456 0.1557 0.0106 -0.0208 -0.0225 92 CYS A N 84 C CA . CYS A 11 ? 0.1680 0.1624 0.1822 -0.0010 -0.0139 -0.0088 92 CYS A CA 85 C C . CYS A 11 ? 0.1489 0.1592 0.1900 -0.0028 -0.0259 -0.0073 92 CYS A C 86 O O . CYS A 11 ? 0.1428 0.1527 0.1866 -0.0046 -0.0069 -0.0086 92 CYS A O 87 C CB . CYS A 11 ? 0.2128 0.1761 0.2096 0.0077 -0.0212 -0.0015 92 CYS A CB 88 S SG . CYS A 11 ? 0.2630 0.2086 0.2694 0.0231 -0.0486 -0.0509 92 CYS A SG 89 N N . ASN A 12 ? 0.1384 0.1710 0.1940 -0.0179 -0.0366 0.0270 93 ASN A N 90 C CA . ASN A 12 ? 0.1702 0.1752 0.1438 -0.0194 -0.0629 0.0315 93 ASN A CA 91 C C . ASN A 12 ? 0.1942 0.1466 0.1173 -0.0221 -0.0671 0.0021 93 ASN A C 92 O O . ASN A 12 ? 0.2588 0.1693 0.1434 -0.0240 -0.0590 -0.0023 93 ASN A O 93 C CB . ASN A 12 ? 0.1869 0.1986 0.1776 -0.0165 -0.0729 0.0511 93 ASN A CB 94 C CG . ASN A 12 ? 0.2231 0.2265 0.2381 -0.0062 -0.0693 0.0350 93 ASN A CG 95 O OD1 . ASN A 12 ? 0.2192 0.2368 0.2117 -0.0099 -0.0639 0.0047 93 ASN A OD1 96 N ND2 . ASN A 12 ? 0.2549 0.2556 0.2596 0.0129 -0.0894 0.0449 93 ASN A ND2 97 N N . VAL A 13 ? 0.1516 0.1419 0.1223 -0.0246 -0.0724 0.0230 94 VAL A N 98 C CA . VAL A 13 ? 0.1362 0.1545 0.1586 -0.0245 -0.0394 0.0045 94 VAL A CA 99 C C . VAL A 13 ? 0.1244 0.1625 0.1819 -0.0380 -0.0500 -0.0055 94 VAL A C 100 O O . VAL A 13 ? 0.1392 0.1568 0.1851 -0.0297 -0.0425 0.0028 94 VAL A O 101 C CB . VAL A 13 ? 0.1312 0.1443 0.1485 -0.0160 -0.0186 -0.0151 94 VAL A CB 102 C CG1 . VAL A 13 ? 0.1559 0.1408 0.1278 -0.0074 0.0186 0.0056 94 VAL A CG1 103 C CG2 . VAL A 13 ? 0.1368 0.1520 0.1696 -0.0127 -0.0181 -0.0148 94 VAL A CG2 104 N N . SER A 14 ? 0.1196 0.1644 0.1787 -0.0527 -0.0576 -0.0112 95 SER A N 105 C CA . SER A 14 ? 0.1263 0.1820 0.2085 -0.0479 -0.0723 0.0126 95 SER A CA 106 C C . SER A 14 ? 0.1142 0.1603 0.1993 -0.0322 -0.0523 0.0218 95 SER A C 107 O O . SER A 14 ? 0.1361 0.1831 0.2010 -0.0245 -0.0370 0.0300 95 SER A O 108 C CB . SER A 14 ? 0.1684 0.2277 0.2300 -0.0480 -0.1079 0.0411 95 SER A CB 109 O OG . SER A 14 ? 0.2172 0.2690 0.2848 -0.0506 -0.1177 0.0497 95 SER A OG 110 N N . GLY A 15 ? 0.0936 0.1416 0.1794 -0.0197 -0.0617 0.0441 96 GLY A N 111 C CA . GLY A 15 ? 0.0789 0.1502 0.1938 -0.0231 -0.0630 0.0236 96 GLY A CA 112 C C . GLY A 15 ? 0.1034 0.1314 0.1845 -0.0228 -0.0815 -0.0054 96 GLY A C 113 O O . GLY A 15 ? 0.1374 0.1302 0.1597 0.0037 -0.0605 -0.0006 96 GLY A O 114 N N . PHE A 16 ? 0.1234 0.1209 0.1631 0.0001 -0.0744 -0.0153 97 PHE A N 115 C CA . PHE A 16 ? 0.1368 0.0922 0.1678 0.0151 -0.0558 -0.0331 97 PHE A CA 116 C C . PHE A 16 ? 0.1551 0.1078 0.1738 0.0172 -0.0380 -0.0210 97 PHE A C 117 O O . PHE A 16 ? 0.2041 0.1228 0.1769 0.0245 -0.0377 -0.0035 97 PHE A O 118 C CB . PHE A 16 ? 0.1509 0.0913 0.1561 0.0232 -0.0499 -0.0367 97 PHE A CB 119 C CG . PHE A 16 ? 0.1803 0.0976 0.2054 0.0308 -0.0743 -0.0409 97 PHE A CG 120 C CD1 . PHE A 16 ? 0.1883 0.0977 0.2185 0.0385 -0.0587 -0.0133 97 PHE A CD1 121 C CD2 . PHE A 16 ? 0.1990 0.1069 0.2671 0.0261 -0.0792 -0.0315 97 PHE A CD2 122 C CE1 . PHE A 16 ? 0.1979 0.0971 0.2160 0.0501 -0.0638 -0.0324 97 PHE A CE1 123 C CE2 . PHE A 16 ? 0.2018 0.1143 0.2885 0.0292 -0.0887 -0.0380 97 PHE A CE2 124 C CZ . PHE A 16 ? 0.2157 0.1107 0.2580 0.0399 -0.0838 -0.0382 97 PHE A CZ 125 N N . ALA A 17 ? 0.1174 0.0822 0.1817 0.0155 -0.0269 -0.0314 98 ALA A N 126 C CA . ALA A 17 ? 0.1084 0.0804 0.1653 0.0035 -0.0512 -0.0259 98 ALA A CA 127 C C . ALA A 17 ? 0.1224 0.1074 0.1418 0.0004 -0.0458 -0.0310 98 ALA A C 128 O O . ALA A 17 ? 0.1203 0.1175 0.1541 -0.0044 -0.0099 -0.0110 98 ALA A O 129 C CB . ALA A 17 ? 0.1389 0.0956 0.1910 0.0016 -0.0544 -0.0269 98 ALA A CB 130 N N . ILE A 18 ? 0.1192 0.1156 0.1290 -0.0100 -0.0714 -0.0291 99 ILE A N 131 C CA . ILE A 18 ? 0.1094 0.1145 0.1078 -0.0013 -0.0317 -0.0233 99 ILE A CA 132 C C . ILE A 18 ? 0.0975 0.1200 0.1117 0.0004 -0.0175 -0.0082 99 ILE A C 133 O O . ILE A 18 ? 0.1155 0.1160 0.1274 0.0020 -0.0173 0.0094 99 ILE A O 134 C CB . ILE A 18 ? 0.1201 0.0946 0.1086 0.0072 -0.0347 0.0137 99 ILE A CB 135 C CG1 . ILE A 18 ? 0.1273 0.1165 0.0914 -0.0013 -0.0679 -0.0186 99 ILE A CG1 136 C CG2 . ILE A 18 ? 0.1390 0.0919 0.1522 0.0212 -0.0108 0.0701 99 ILE A CG2 137 C CD1 . ILE A 18 ? 0.1465 0.1360 0.0899 -0.0060 -0.0553 -0.0234 99 ILE A CD1 138 N N . VAL A 19 ? 0.0717 0.1362 0.1045 -0.0212 0.0089 -0.0031 100 VAL A N 139 C CA . VAL A 19 ? 0.0794 0.1459 0.1023 0.0140 0.0173 -0.0136 100 VAL A CA 140 C C . VAL A 19 ? 0.1038 0.1323 0.0962 0.0140 0.0209 -0.0252 100 VAL A C 141 O O . VAL A 19 ? 0.1206 0.1364 0.1717 0.0153 0.0134 -0.0467 100 VAL A O 142 C CB . VAL A 19 ? 0.0912 0.2169 0.1612 0.0396 0.0148 0.0321 100 VAL A CB 143 C CG1 . VAL A 19 ? 0.1145 0.2392 0.1938 0.0299 -0.0035 0.0406 100 VAL A CG1 144 C CG2 . VAL A 19 ? 0.1190 0.2456 0.2175 0.0393 -0.0218 0.0555 100 VAL A CG2 145 N N . SER A 20 ? 0.1047 0.1359 0.0841 0.0052 0.0030 -0.0154 101 SER A N 146 C CA . SER A 20 ? 0.1198 0.1410 0.0664 0.0024 0.0263 0.0073 101 SER A CA 147 C C . SER A 20 ? 0.1052 0.1184 0.0601 0.0074 0.0115 -0.0172 101 SER A C 148 O O . SER A 20 ? 0.1214 0.1123 0.0989 0.0051 -0.0052 -0.0136 101 SER A O 149 C CB . SER A 20 ? 0.1669 0.1728 0.1273 0.0214 0.0430 0.0230 101 SER A CB 150 O OG . SER A 20 ? 0.1837 0.1937 0.1673 -0.0052 0.0226 0.0342 101 SER A OG 151 N N . LYS A 21 ? 0.0876 0.1178 0.0654 0.0155 -0.0226 -0.0230 102 LYS A N 152 C CA . LYS A 21 ? 0.0918 0.1480 0.0820 0.0042 -0.0092 -0.0182 102 LYS A CA 153 C C . LYS A 21 ? 0.0878 0.1572 0.1058 0.0105 -0.0161 -0.0064 102 LYS A C 154 O O . LYS A 21 ? 0.1046 0.1579 0.1394 0.0304 -0.0335 -0.0181 102 LYS A O 155 C CB . LYS A 21 ? 0.0856 0.1311 0.0803 0.0004 0.0123 0.0043 102 LYS A CB 156 C CG . LYS A 21 ? 0.0837 0.1461 0.0679 -0.0145 0.0510 -0.0341 102 LYS A CG 157 C CD . LYS A 21 ? 0.0995 0.1472 0.0693 -0.0146 0.0628 -0.0178 102 LYS A CD 158 C CE . LYS A 21 ? 0.1120 0.1504 0.0813 -0.0251 0.0269 -0.0249 102 LYS A CE 159 N NZ . LYS A 21 ? 0.1222 0.1314 0.0607 -0.0405 0.0065 -0.0016 102 LYS A NZ 160 N N . ASP A 22 ? 0.1088 0.1608 0.1019 -0.0005 0.0038 0.0165 103 ASP A N 161 C CA . ASP A 22 ? 0.1181 0.1507 0.1102 -0.0061 0.0122 0.0100 103 ASP A CA 162 C C . ASP A 22 ? 0.1012 0.1269 0.0797 -0.0095 0.0032 0.0094 103 ASP A C 163 O O . ASP A 22 ? 0.1182 0.1316 0.1041 -0.0173 -0.0409 -0.0139 103 ASP A O 164 C CB . ASP A 22 ? 0.1990 0.1595 0.1555 0.0112 0.0183 0.0109 103 ASP A CB 165 C CG . ASP A 22 ? 0.3039 0.1910 0.2448 0.0180 -0.0155 0.0129 103 ASP A CG 166 O OD1 . ASP A 22 ? 0.3590 0.1994 0.2648 0.0313 0.0041 0.0125 103 ASP A OD1 167 O OD2 . ASP A 22 ? 0.3422 0.2294 0.3383 0.0394 -0.0518 -0.0102 103 ASP A OD2 168 N N . ASN A 23 ? 0.0899 0.1131 0.0828 -0.0150 0.0201 0.0162 104 ASN A N 169 C CA . ASN A 23 ? 0.1064 0.0960 0.1125 -0.0103 -0.0017 0.0032 104 ASN A CA 170 C C . ASN A 23 ? 0.1156 0.1060 0.0866 -0.0054 -0.0068 -0.0032 104 ASN A C 171 O O . ASN A 23 ? 0.1240 0.1157 0.0638 -0.0046 0.0058 -0.0128 104 ASN A O 172 C CB . ASN A 23 ? 0.1108 0.0997 0.1228 0.0019 -0.0094 0.0051 104 ASN A CB 173 C CG . ASN A 23 ? 0.1250 0.1106 0.0958 0.0017 0.0451 -0.0301 104 ASN A CG 174 O OD1 . ASN A 23 ? 0.1278 0.1258 0.1253 0.0217 0.0224 -0.0216 104 ASN A OD1 175 N ND2 . ASN A 23 ? 0.1388 0.1218 0.1198 -0.0148 0.0474 -0.0523 104 ASN A ND2 176 N N . GLY A 24 ? 0.1256 0.1048 0.0853 -0.0350 -0.0121 -0.0361 105 GLY A N 177 C CA . GLY A 24 ? 0.1338 0.1225 0.0855 -0.0383 -0.0237 -0.0483 105 GLY A CA 178 C C . GLY A 24 ? 0.1297 0.1290 0.0769 0.0012 -0.0027 -0.0018 105 GLY A C 179 O O . GLY A 24 ? 0.1212 0.1325 0.0855 0.0102 -0.0124 -0.0034 105 GLY A O 180 N N . ILE A 25 ? 0.1205 0.1304 0.0765 0.0165 -0.0123 0.0175 106 ILE A N 181 C CA . ILE A 25 ? 0.1158 0.1149 0.0744 0.0224 -0.0052 -0.0087 106 ILE A CA 182 C C . ILE A 25 ? 0.1179 0.1101 0.0788 0.0155 -0.0103 -0.0225 106 ILE A C 183 O O . ILE A 25 ? 0.1113 0.1196 0.0932 0.0295 -0.0045 -0.0295 106 ILE A O 184 C CB . ILE A 25 ? 0.0996 0.1087 0.0599 0.0478 -0.0231 -0.0025 106 ILE A CB 185 C CG1 . ILE A 25 ? 0.0964 0.1086 0.1299 0.0684 -0.0056 0.0030 106 ILE A CG1 186 C CG2 . ILE A 25 ? 0.0979 0.1234 0.0538 0.0605 -0.0210 -0.0231 106 ILE A CG2 187 C CD1 . ILE A 25 ? 0.0950 0.1032 0.1663 0.0566 -0.0047 0.0059 106 ILE A CD1 188 N N . ARG A 26 ? 0.1138 0.0854 0.0580 -0.0031 0.0170 -0.0072 107 ARG A N 189 C CA . ARG A 26 ? 0.1020 0.0936 0.1054 -0.0084 0.0188 0.0004 107 ARG A CA 190 C C . ARG A 26 ? 0.1099 0.1032 0.0918 0.0001 0.0136 -0.0131 107 ARG A C 191 O O . ARG A 26 ? 0.1200 0.1181 0.0688 0.0077 -0.0181 0.0000 107 ARG A O 192 C CB . ARG A 26 ? 0.0971 0.1069 0.1105 -0.0299 -0.0032 -0.0219 107 ARG A CB 193 C CG . ARG A 26 ? 0.0847 0.1093 0.1322 -0.0178 0.0050 -0.0520 107 ARG A CG 194 C CD . ARG A 26 ? 0.1051 0.1097 0.1057 -0.0038 -0.0039 -0.0441 107 ARG A CD 195 N NE . ARG A 26 ? 0.1094 0.0986 0.0924 -0.0013 -0.0082 -0.0040 107 ARG A NE 196 C CZ . ARG A 26 ? 0.1078 0.0960 0.1072 0.0132 0.0351 0.0004 107 ARG A CZ 197 N NH1 . ARG A 26 ? 0.1039 0.1091 0.1262 0.0122 0.0212 -0.0154 107 ARG A NH1 198 N NH2 . ARG A 26 ? 0.1258 0.1068 0.1234 -0.0056 0.0104 0.0227 107 ARG A NH2 199 N N . ILE A 27 ? 0.1025 0.0999 0.1100 0.0065 0.0378 -0.0310 108 ILE A N 200 C CA . ILE A 27 ? 0.1061 0.1019 0.0860 0.0020 0.0266 -0.0101 108 ILE A CA 201 C C . ILE A 27 ? 0.1179 0.1096 0.1006 0.0066 0.0151 0.0039 108 ILE A C 202 O O . ILE A 27 ? 0.1430 0.1010 0.1200 0.0389 0.0112 -0.0193 108 ILE A O 203 C CB . ILE A 27 ? 0.1003 0.1058 0.0789 -0.0088 0.0170 -0.0484 108 ILE A CB 204 C CG1 . ILE A 27 ? 0.1122 0.1150 0.0351 -0.0061 -0.0372 -0.0452 108 ILE A CG1 205 C CG2 . ILE A 27 ? 0.1137 0.1257 0.1310 0.0028 0.0270 -0.0418 108 ILE A CG2 206 C CD1 . ILE A 27 ? 0.1073 0.1429 0.0546 0.0138 -0.0228 -0.0273 108 ILE A CD1 207 N N . GLY A 28 ? 0.1088 0.1132 0.0795 -0.0006 0.0135 -0.0108 109 GLY A N 208 C CA . GLY A 28 ? 0.1202 0.1184 0.1014 -0.0045 -0.0040 0.0004 109 GLY A CA 209 C C . GLY A 28 ? 0.1195 0.1098 0.0919 -0.0018 0.0048 -0.0159 109 GLY A C 210 O O . GLY A 28 ? 0.1254 0.1375 0.0913 -0.0137 -0.0098 -0.0327 109 GLY A O 211 N N . SER A 29 ? 0.1261 0.1187 0.0816 0.0086 -0.0024 0.0092 110 SER A N 212 C CA . SER A 29 ? 0.1220 0.1393 0.1090 0.0052 0.0115 0.0068 110 SER A CA 213 C C . SER A 29 ? 0.1140 0.1465 0.1216 -0.0028 0.0046 -0.0091 110 SER A C 214 O O . SER A 29 ? 0.1263 0.1536 0.1348 0.0118 -0.0017 -0.0359 110 SER A O 215 C CB . SER A 29 ? 0.1530 0.1411 0.0715 0.0008 -0.0132 -0.0039 110 SER A CB 216 O OG . SER A 29 ? 0.1769 0.1510 0.0632 -0.0023 -0.0093 -0.0130 110 SER A OG 217 N N . ARG A 30 ? 0.1077 0.1209 0.1319 -0.0148 0.0292 -0.0116 111 ARG A N 218 C CA . ARG A 30 ? 0.1077 0.1061 0.1097 0.0030 0.0078 0.0192 111 ARG A CA 219 C C . ARG A 30 ? 0.1176 0.1132 0.0736 -0.0115 -0.0190 -0.0056 111 ARG A C 220 O O . ARG A 30 ? 0.1239 0.1393 0.0843 -0.0017 -0.0162 -0.0066 111 ARG A O 221 C CB . ARG A 30 ? 0.1235 0.0874 0.1451 0.0287 -0.0123 0.0428 111 ARG A CB 222 C CG . ARG A 30 ? 0.1361 0.0549 0.1328 0.0582 0.0163 0.0431 111 ARG A CG 223 C CD . ARG A 30 ? 0.1404 0.0742 0.1358 0.0467 -0.0136 0.0305 111 ARG A CD 224 N NE . ARG A 30 ? 0.1310 0.1021 0.1200 0.0103 -0.0199 0.0070 111 ARG A NE 225 C CZ . ARG A 30 ? 0.1584 0.1215 0.1254 0.0047 0.0064 -0.0051 111 ARG A CZ 226 N NH1 . ARG A 30 ? 0.1895 0.1311 0.1665 -0.0119 0.0043 -0.0085 111 ARG A NH1 227 N NH2 . ARG A 30 ? 0.1901 0.1282 0.1445 -0.0132 -0.0234 0.0205 111 ARG A NH2 228 N N . GLY A 31 ? 0.1350 0.0992 0.0403 0.0020 -0.0121 0.0147 112 GLY A N 229 C CA . GLY A 31 ? 0.1314 0.0722 0.0569 -0.0040 0.0191 -0.0089 112 GLY A CA 230 C C . GLY A 31 ? 0.1325 0.0995 0.0741 0.0038 0.0287 -0.0018 112 GLY A C 231 O O . GLY A 31 ? 0.1527 0.1139 0.1267 0.0176 0.0297 -0.0047 112 GLY A O 232 N N . HIS A 32 ? 0.1153 0.0911 0.0640 -0.0158 0.0182 0.0157 113 HIS A N 233 C CA . HIS A 32 ? 0.0946 0.1090 0.0493 -0.0024 0.0199 0.0276 113 HIS A CA 234 C C . HIS A 32 ? 0.1006 0.1131 0.0921 -0.0008 0.0074 0.0273 113 HIS A C 235 O O . HIS A 32 ? 0.1182 0.1177 0.0810 0.0095 -0.0015 0.0106 113 HIS A O 236 C CB . HIS A 32 ? 0.1018 0.1009 0.0587 0.0018 0.0088 0.0076 113 HIS A CB 237 C CG . HIS A 32 ? 0.1168 0.0930 0.0518 0.0093 -0.0161 0.0184 113 HIS A CG 238 N ND1 . HIS A 32 ? 0.1315 0.0947 0.0970 0.0176 -0.0392 0.0263 113 HIS A ND1 239 C CD2 . HIS A 32 ? 0.1278 0.0994 0.0685 -0.0133 -0.0134 0.0292 113 HIS A CD2 240 C CE1 . HIS A 32 ? 0.1314 0.1186 0.0496 -0.0005 -0.0334 0.0238 113 HIS A CE1 241 N NE2 . HIS A 32 ? 0.1115 0.1105 0.0964 -0.0050 -0.0291 0.0118 113 HIS A NE2 242 N N . VAL A 33 ? 0.0935 0.1017 0.0954 -0.0009 -0.0117 0.0246 114 VAL A N 243 C CA . VAL A 33 ? 0.0920 0.0902 0.0998 0.0012 -0.0277 0.0198 114 VAL A CA 244 C C . VAL A 33 ? 0.1008 0.0892 0.0711 0.0140 -0.0193 0.0043 114 VAL A C 245 O O . VAL A 33 ? 0.1254 0.0980 0.0639 0.0165 -0.0309 -0.0114 114 VAL A O 246 C CB . VAL A 33 ? 0.0936 0.0734 0.1115 0.0144 -0.0168 0.0078 114 VAL A CB 247 C CG1 . VAL A 33 ? 0.0934 0.1149 0.1167 0.0197 -0.0476 0.0055 114 VAL A CG1 248 C CG2 . VAL A 33 ? 0.1190 0.0723 0.1319 0.0027 0.0002 -0.0075 114 VAL A CG2 249 N N . PHE A 34 ? 0.0983 0.0687 0.0836 0.0245 -0.0104 -0.0037 115 PHE A N 250 C CA . PHE A 34 ? 0.0963 0.0776 0.0658 0.0194 0.0120 -0.0070 115 PHE A CA 251 C C . PHE A 34 ? 0.1009 0.0886 0.0800 0.0181 0.0178 -0.0155 115 PHE A C 252 O O . PHE A 34 ? 0.1183 0.1052 0.1042 -0.0017 -0.0102 -0.0110 115 PHE A O 253 C CB . PHE A 34 ? 0.1092 0.0885 0.0667 0.0174 0.0048 0.0125 115 PHE A CB 254 C CG . PHE A 34 ? 0.0822 0.1042 0.0700 0.0072 0.0029 0.0044 115 PHE A CG 255 C CD1 . PHE A 34 ? 0.0682 0.1059 0.0956 -0.0183 -0.0427 -0.0015 115 PHE A CD1 256 C CD2 . PHE A 34 ? 0.0835 0.1253 0.1011 0.0071 0.0293 0.0411 115 PHE A CD2 257 C CE1 . PHE A 34 ? 0.0800 0.1316 0.1144 -0.0023 -0.0059 0.0017 115 PHE A CE1 258 C CE2 . PHE A 34 ? 0.0751 0.1221 0.1100 0.0020 -0.0075 0.0465 115 PHE A CE2 259 C CZ . PHE A 34 ? 0.0878 0.1200 0.1137 0.0112 -0.0213 0.0185 115 PHE A CZ 260 N N . VAL A 35 ? 0.0936 0.0947 0.0707 0.0400 0.0039 -0.0181 116 VAL A N 261 C CA . VAL A 35 ? 0.0940 0.1011 0.0860 0.0395 -0.0024 0.0081 116 VAL A CA 262 C C . VAL A 35 ? 0.1016 0.1082 0.0959 0.0153 -0.0038 0.0147 116 VAL A C 263 O O . VAL A 35 ? 0.1016 0.1111 0.0983 0.0041 -0.0233 0.0037 116 VAL A O 264 C CB . VAL A 35 ? 0.1067 0.0950 0.0918 0.0428 -0.0001 -0.0115 116 VAL A CB 265 C CG1 . VAL A 35 ? 0.0820 0.1041 0.1373 0.0382 0.0109 0.0159 116 VAL A CG1 266 C CG2 . VAL A 35 ? 0.1295 0.0924 0.0762 0.0247 -0.0242 -0.0007 116 VAL A CG2 267 N N . ILE A 36 ? 0.1034 0.0928 0.0818 0.0342 -0.0229 0.0288 117 ILE A N 268 C CA . ILE A 36 ? 0.1030 0.0895 0.0720 0.0115 -0.0162 0.0133 117 ILE A CA 269 C C . ILE A 36 ? 0.1043 0.1083 0.1093 0.0120 -0.0031 -0.0037 117 ILE A C 270 O O . ILE A 36 ? 0.1088 0.1247 0.1545 0.0286 0.0075 -0.0155 117 ILE A O 271 C CB . ILE A 36 ? 0.1027 0.0867 0.0936 -0.0205 -0.0053 -0.0170 117 ILE A CB 272 C CG1 . ILE A 36 ? 0.1235 0.1210 0.0852 -0.0108 -0.0207 -0.0518 117 ILE A CG1 273 C CG2 . ILE A 36 ? 0.1131 0.0682 0.0645 -0.0087 0.0002 -0.0201 117 ILE A CG2 274 C CD1 . ILE A 36 ? 0.1450 0.1432 0.1336 -0.0164 -0.0054 -0.0235 117 ILE A CD1 275 N N . ARG A 37 ? 0.0882 0.0954 0.0768 0.0029 -0.0116 0.0086 118 ARG A N 276 C CA . ARG A 37 ? 0.0967 0.1137 0.0478 0.0201 -0.0139 -0.0114 118 ARG A CA 277 C C . ARG A 37 ? 0.0922 0.1147 0.0556 0.0069 -0.0184 -0.0079 118 ARG A C 278 O O . ARG A 37 ? 0.0734 0.1354 0.1025 0.0130 -0.0144 -0.0295 118 ARG A O 279 C CB . ARG A 37 ? 0.0869 0.1210 0.0522 0.0064 0.0104 -0.0203 118 ARG A CB 280 C CG . ARG A 37 ? 0.0722 0.1163 0.0957 0.0149 0.0127 -0.0003 118 ARG A CG 281 C CD . ARG A 37 ? 0.0646 0.1341 0.0837 0.0414 0.0046 0.0137 118 ARG A CD 282 N NE . ARG A 37 ? 0.0516 0.1455 0.0891 0.0363 -0.0077 0.0050 118 ARG A NE 283 C CZ . ARG A 37 ? 0.0815 0.1348 0.0784 0.0384 0.0077 -0.0323 118 ARG A CZ 284 N NH1 . ARG A 37 ? 0.1063 0.1111 0.0954 0.0169 0.0483 -0.0078 118 ARG A NH1 285 N NH2 . ARG A 37 ? 0.0960 0.1407 0.0596 0.0176 0.0176 -0.0394 118 ARG A NH2 286 N N . GLU A 38 ? 0.0977 0.1276 0.0406 0.0095 -0.0237 -0.0147 119 GLU A N 287 C CA . GLU A 38 ? 0.1180 0.1185 0.0584 0.0188 -0.0253 0.0051 119 GLU A CA 288 C C . GLU A 38 ? 0.1156 0.1188 0.0703 -0.0009 -0.0093 0.0136 119 GLU A C 289 O O . GLU A 38 ? 0.1137 0.1110 0.0770 0.0119 -0.0074 0.0090 119 GLU A O 290 C CB . GLU A 38 ? 0.1205 0.1131 0.1167 0.0110 0.0039 -0.0178 119 GLU A CB 291 C CG . GLU A 38 ? 0.1249 0.1234 0.1280 0.0053 -0.0103 -0.0100 119 GLU A CG 292 C CD . GLU A 38 ? 0.1243 0.1163 0.1155 0.0035 0.0231 0.0100 119 GLU A CD 293 O OE1 . GLU A 38 ? 0.1242 0.1254 0.0818 -0.0161 0.0124 -0.0077 119 GLU A OE1 294 O OE2 . GLU A 38 ? 0.1172 0.1133 0.1224 -0.0023 0.0112 0.0142 119 GLU A OE2 295 N N . PRO A 39 ? 0.1260 0.1250 0.0852 0.0046 -0.0060 -0.0066 120 PRO A N 296 C CA . PRO A 39 ? 0.1246 0.1179 0.0829 -0.0087 0.0029 -0.0087 120 PRO A CA 297 C C . PRO A 39 ? 0.1366 0.1173 0.0806 -0.0078 0.0018 -0.0119 120 PRO A C 298 O O . PRO A 39 ? 0.1265 0.1413 0.0691 -0.0091 0.0065 -0.0456 120 PRO A O 299 C CB . PRO A 39 ? 0.1178 0.1342 0.1113 -0.0163 0.0413 0.0031 120 PRO A CB 300 C CG . PRO A 39 ? 0.1369 0.1267 0.1087 0.0007 0.0342 -0.0284 120 PRO A CG 301 C CD . PRO A 39 ? 0.1389 0.1184 0.1117 -0.0197 -0.0018 -0.0255 120 PRO A CD 302 N N . PHE A 40 ? 0.1215 0.0986 0.0381 -0.0044 0.0036 0.0104 121 PHE A N 303 C CA . PHE A 40 ? 0.1056 0.0881 0.0353 0.0249 -0.0206 0.0326 121 PHE A CA 304 C C . PHE A 40 ? 0.1252 0.1207 0.0933 0.0256 -0.0212 -0.0290 121 PHE A C 305 O O . PHE A 40 ? 0.1214 0.1613 0.1463 0.0326 -0.0350 -0.0502 121 PHE A O 306 C CB . PHE A 40 ? 0.0987 0.0872 0.0910 0.0098 0.0311 0.0449 121 PHE A CB 307 C CG . PHE A 40 ? 0.0907 0.1020 0.0994 0.0146 0.0288 0.0215 121 PHE A CG 308 C CD1 . PHE A 40 ? 0.0837 0.1134 0.0962 0.0256 0.0326 0.0186 121 PHE A CD1 309 C CD2 . PHE A 40 ? 0.0808 0.1119 0.1309 0.0166 0.0102 0.0080 121 PHE A CD2 310 C CE1 . PHE A 40 ? 0.0826 0.1069 0.0973 0.0316 -0.0121 0.0034 121 PHE A CE1 311 C CE2 . PHE A 40 ? 0.0885 0.1156 0.1194 0.0139 0.0228 0.0003 121 PHE A CE2 312 C CZ . PHE A 40 ? 0.0782 0.1181 0.1114 0.0086 0.0055 0.0057 121 PHE A CZ 313 N N . VAL A 41 ? 0.1186 0.1063 0.0785 0.0018 -0.0138 -0.0383 122 VAL A N 314 C CA . VAL A 41 ? 0.1220 0.1043 0.0704 -0.0062 0.0089 -0.0211 122 VAL A CA 315 C C . VAL A 41 ? 0.1040 0.1177 0.0567 -0.0012 0.0189 -0.0086 122 VAL A C 316 O O . VAL A 41 ? 0.1143 0.1293 0.0998 -0.0028 0.0030 -0.0235 122 VAL A O 317 C CB . VAL A 41 ? 0.1378 0.1047 0.0754 -0.0150 0.0124 -0.0044 122 VAL A CB 318 C CG1 . VAL A 41 ? 0.1558 0.0960 0.0791 -0.0307 -0.0074 0.0024 122 VAL A CG1 319 C CG2 . VAL A 41 ? 0.1456 0.1223 0.0943 0.0058 0.0057 0.0101 122 VAL A CG2 320 N N . ALA A 42 ? 0.1092 0.1231 0.0746 -0.0039 0.0379 0.0013 123 ALA A N 321 C CA . ALA A 42 ? 0.1209 0.1229 0.1106 -0.0039 0.0359 -0.0196 123 ALA A CA 322 C C . ALA A 42 ? 0.1432 0.1570 0.1000 0.0330 0.0516 -0.0343 123 ALA A C 323 O O . ALA A 42 ? 0.1351 0.1660 0.1254 0.0299 0.0222 -0.0331 123 ALA A O 324 C CB . ALA A 42 ? 0.1200 0.1059 0.1755 -0.0138 0.0415 0.0014 123 ALA A CB 325 N N . CYS A 43 ? 0.1799 0.1633 0.0893 0.0388 0.0449 -0.0164 124 CYS A N 326 C CA . CYS A 43 ? 0.2243 0.1851 0.1315 0.0101 0.0613 -0.0150 124 CYS A CA 327 C C . CYS A 43 ? 0.2658 0.1952 0.1444 0.0062 0.0593 -0.0336 124 CYS A C 328 O O . CYS A 43 ? 0.2860 0.1886 0.1720 0.0083 0.0461 -0.0363 124 CYS A O 329 C CB . CYS A 43 ? 0.2460 0.2246 0.1778 -0.0010 0.0509 0.0008 124 CYS A CB 330 S SG . CYS A 43 ? 0.2489 0.2444 0.2426 0.0053 0.0233 -0.0008 124 CYS A SG 331 N N . GLY A 44 ? 0.2637 0.2155 0.1526 -0.0014 0.0673 -0.0447 125 GLY A N 332 C CA . GLY A 44 ? 0.2992 0.2211 0.1434 -0.0148 0.0791 -0.0441 125 GLY A CA 333 C C . GLY A 44 ? 0.3180 0.2312 0.1511 -0.0121 0.0739 -0.0363 125 GLY A C 334 O O . GLY A 44 ? 0.3192 0.2496 0.1558 -0.0053 0.0691 -0.0460 125 GLY A O 335 N N . PRO A 45 ? 0.3407 0.2290 0.1603 -0.0028 0.1117 -0.0370 126 PRO A N 336 C CA . PRO A 45 ? 0.3742 0.2352 0.1989 -0.0054 0.0874 -0.0369 126 PRO A CA 337 C C . PRO A 45 ? 0.4000 0.2520 0.2404 -0.0076 0.0555 -0.0394 126 PRO A C 338 O O . PRO A 45 ? 0.4161 0.2418 0.2525 -0.0233 0.0377 -0.0357 126 PRO A O 339 C CB . PRO A 45 ? 0.3780 0.2468 0.1974 -0.0062 0.1133 -0.0392 126 PRO A CB 340 C CG . PRO A 45 ? 0.3837 0.2459 0.1942 -0.0119 0.1179 -0.0426 126 PRO A CG 341 C CD . PRO A 45 ? 0.3624 0.2396 0.1758 -0.0094 0.1274 -0.0301 126 PRO A CD 342 N N . THR A 46 ? 0.3988 0.2741 0.2413 0.0243 0.0631 -0.0612 127 THR A N 343 C CA . THR A 46 ? 0.3932 0.3101 0.2803 0.0399 0.0661 -0.0329 127 THR A CA 344 C C . THR A 46 ? 0.3772 0.2861 0.2632 0.0401 0.0721 -0.0638 127 THR A C 345 O O . THR A 46 ? 0.4059 0.2851 0.2868 0.0380 0.0784 -0.0496 127 THR A O 346 C CB . THR A 46 ? 0.3958 0.3636 0.3436 0.0483 0.0722 -0.0236 127 THR A CB 347 O OG1 . THR A 46 ? 0.4023 0.3917 0.4095 0.0517 0.0655 -0.0050 127 THR A OG1 348 C CG2 . THR A 46 ? 0.4029 0.3782 0.3480 0.0506 0.0848 -0.0202 127 THR A CG2 349 N N . GLU A 47 ? 0.3266 0.2556 0.2368 0.0362 0.0691 -0.0922 128 GLU A N 350 C CA . GLU A 47 ? 0.2831 0.2511 0.2491 0.0433 0.0435 -0.0811 128 GLU A CA 351 C C . GLU A 47 ? 0.2355 0.2146 0.1677 0.0316 0.0375 -0.0802 128 GLU A C 352 O O . GLU A 47 ? 0.2447 0.2298 0.1583 0.0210 0.0520 -0.0296 128 GLU A O 353 C CB . GLU A 47 ? 0.2908 0.2971 0.3445 0.0715 0.0277 -0.0739 128 GLU A CB 354 C CG . GLU A 47 ? 0.3077 0.3295 0.4114 0.0757 0.0259 -0.0665 128 GLU A CG 355 C CD . GLU A 47 ? 0.3237 0.3301 0.4445 0.0828 0.0234 -0.0474 128 GLU A CD 356 O OE1 . GLU A 47 ? 0.3433 0.3536 0.4835 0.0705 -0.0044 -0.0139 128 GLU A OE1 357 O OE2 . GLU A 47 ? 0.3095 0.2843 0.3953 0.0804 0.0406 -0.0870 128 GLU A OE2 358 N N . CYS A 48 ? 0.1998 0.1684 0.1448 0.0017 -0.0025 -0.0601 129 CYS A N 359 C CA . CYS A 48 ? 0.1859 0.1685 0.1547 -0.0158 -0.0202 -0.0514 129 CYS A CA 360 C C . CYS A 48 ? 0.1635 0.1412 0.1167 -0.0071 -0.0146 -0.0322 129 CYS A C 361 O O . CYS A 48 ? 0.1782 0.1430 0.0948 -0.0100 0.0086 -0.0414 129 CYS A O 362 C CB . CYS A 48 ? 0.2147 0.2067 0.2158 -0.0274 -0.0625 -0.0375 129 CYS A CB 363 S SG . CYS A 48 ? 0.2454 0.2224 0.2372 -0.0228 -0.0529 -0.0472 129 CYS A SG 364 N N . ARG A 49 ? 0.1335 0.1271 0.0779 -0.0225 -0.0089 -0.0387 130 ARG A N 365 C CA . ARG A 49 ? 0.1095 0.1127 0.0818 -0.0084 0.0174 -0.0292 130 ARG A CA 366 C C . ARG A 49 ? 0.1065 0.1137 0.0855 -0.0072 -0.0014 -0.0222 130 ARG A C 367 O O . ARG A 49 ? 0.1043 0.1340 0.1215 0.0060 0.0029 -0.0306 130 ARG A O 368 C CB . ARG A 49 ? 0.1089 0.1125 0.0965 -0.0082 0.0323 -0.0340 130 ARG A CB 369 C CG . ARG A 49 ? 0.1170 0.1297 0.1141 -0.0057 0.0295 -0.0267 130 ARG A CG 370 C CD . ARG A 49 ? 0.1287 0.1479 0.0816 -0.0330 -0.0076 -0.0149 130 ARG A CD 371 N NE . ARG A 49 ? 0.1275 0.1510 0.0844 -0.0242 -0.0035 -0.0083 130 ARG A NE 372 C CZ . ARG A 49 ? 0.1407 0.1414 0.0894 -0.0195 0.0034 -0.0286 130 ARG A CZ 373 N NH1 . ARG A 49 ? 0.1526 0.1336 0.1118 -0.0101 0.0190 -0.0354 130 ARG A NH1 374 N NH2 . ARG A 49 ? 0.1259 0.1495 0.1184 -0.0331 -0.0059 -0.0467 130 ARG A NH2 375 N N . THR A 50 ? 0.1028 0.1100 0.0545 -0.0091 -0.0012 -0.0091 131 THR A N 376 C CA . THR A 50 ? 0.1299 0.1072 0.0929 -0.0177 0.0003 -0.0149 131 THR A CA 377 C C . THR A 50 ? 0.1088 0.0984 0.1253 0.0011 -0.0186 -0.0073 131 THR A C 378 O O . THR A 50 ? 0.1161 0.0994 0.1875 0.0046 -0.0139 -0.0261 131 THR A O 379 C CB . THR A 50 ? 0.1673 0.1254 0.1131 -0.0667 0.0562 -0.0302 131 THR A CB 380 O OG1 . THR A 50 ? 0.2023 0.1599 0.2047 -0.0892 0.0604 -0.0271 131 THR A OG1 381 C CG2 . THR A 50 ? 0.1759 0.1298 0.1467 -0.0557 0.0350 -0.0307 131 THR A CG2 382 N N . PHE A 51 ? 0.1138 0.0812 0.0865 -0.0038 -0.0170 -0.0335 132 PHE A N 383 C CA . PHE A 51 ? 0.1067 0.0780 0.0527 0.0004 -0.0063 -0.0130 132 PHE A CA 384 C C . PHE A 51 ? 0.1143 0.0829 0.0616 0.0038 -0.0141 -0.0135 132 PHE A C 385 O O . PHE A 51 ? 0.1340 0.1108 0.0918 -0.0047 -0.0137 -0.0312 132 PHE A O 386 C CB . PHE A 51 ? 0.1028 0.0964 0.0327 0.0245 -0.0075 -0.0052 132 PHE A CB 387 C CG . PHE A 51 ? 0.1108 0.1252 0.0648 0.0375 -0.0044 0.0094 132 PHE A CG 388 C CD1 . PHE A 51 ? 0.1124 0.1472 0.0673 0.0416 -0.0036 0.0018 132 PHE A CD1 389 C CD2 . PHE A 51 ? 0.1072 0.1182 0.0882 0.0547 0.0169 0.0167 132 PHE A CD2 390 C CE1 . PHE A 51 ? 0.0965 0.1385 0.0587 0.0289 0.0120 0.0117 132 PHE A CE1 391 C CE2 . PHE A 51 ? 0.1136 0.1312 0.0869 0.0359 -0.0098 0.0001 132 PHE A CE2 392 C CZ . PHE A 51 ? 0.1038 0.1324 0.0892 0.0324 -0.0087 -0.0177 132 PHE A CZ 393 N N . PHE A 52 ? 0.1239 0.0845 0.0400 0.0023 -0.0030 -0.0190 133 PHE A N 394 C CA . PHE A 52 ? 0.1208 0.0774 0.0550 -0.0032 -0.0020 -0.0193 133 PHE A CA 395 C C . PHE A 52 ? 0.1094 0.0937 0.0861 0.0184 -0.0060 -0.0247 133 PHE A C 396 O O . PHE A 52 ? 0.0951 0.1019 0.0928 0.0151 0.0110 0.0030 133 PHE A O 397 C CB . PHE A 52 ? 0.1223 0.0786 0.0736 -0.0093 -0.0086 0.0003 133 PHE A CB 398 C CG . PHE A 52 ? 0.1135 0.0875 0.0583 0.0097 0.0003 -0.0138 133 PHE A CG 399 C CD1 . PHE A 52 ? 0.1201 0.0778 0.0984 0.0066 0.0173 -0.0165 133 PHE A CD1 400 C CD2 . PHE A 52 ? 0.1068 0.0983 0.0624 0.0289 -0.0068 0.0179 133 PHE A CD2 401 C CE1 . PHE A 52 ? 0.1081 0.0781 0.0803 -0.0038 -0.0102 0.0055 133 PHE A CE1 402 C CE2 . PHE A 52 ? 0.1061 0.0814 0.0623 0.0237 0.0124 -0.0207 133 PHE A CE2 403 C CZ . PHE A 52 ? 0.1045 0.0831 0.0897 -0.0116 0.0048 0.0017 133 PHE A CZ 404 N N . LEU A 53 ? 0.1232 0.0886 0.0763 0.0223 -0.0131 -0.0299 134 LEU A N 405 C CA . LEU A 53 ? 0.1089 0.0789 0.1011 0.0242 -0.0382 -0.0013 134 LEU A CA 406 C C . LEU A 53 ? 0.0992 0.0798 0.0936 0.0149 -0.0271 0.0060 134 LEU A C 407 O O . LEU A 53 ? 0.1167 0.0804 0.0801 0.0017 -0.0068 -0.0021 134 LEU A O 408 C CB . LEU A 53 ? 0.1037 0.0686 0.1013 0.0419 -0.0109 0.0142 134 LEU A CB 409 C CG . LEU A 53 ? 0.1082 0.0812 0.0934 0.0366 0.0117 0.0455 134 LEU A CG 410 C CD1 . LEU A 53 ? 0.1258 0.0835 0.1266 0.0343 -0.0128 0.0091 134 LEU A CD1 411 C CD2 . LEU A 53 ? 0.1207 0.0944 0.1024 0.0246 0.0364 0.0358 134 LEU A CD2 412 N N . THR A 54 ? 0.0654 0.0900 0.0998 0.0266 -0.0371 0.0083 135 THR A N 413 C CA . THR A 54 ? 0.0689 0.0984 0.0808 0.0278 -0.0420 -0.0005 135 THR A CA 414 C C . THR A 54 ? 0.0736 0.0964 0.1037 0.0214 -0.0068 0.0078 135 THR A C 415 O O . THR A 54 ? 0.0699 0.1150 0.1192 0.0224 -0.0112 -0.0040 135 THR A O 416 C CB . THR A 54 ? 0.0663 0.0914 0.1017 -0.0048 0.0009 -0.0060 135 THR A CB 417 O OG1 . THR A 54 ? 0.0931 0.1026 0.1421 -0.0224 0.0234 0.0193 135 THR A OG1 418 C CG2 . THR A 54 ? 0.1008 0.1119 0.0560 0.0088 0.0103 -0.0070 135 THR A CG2 419 N N . GLN A 55 ? 0.1067 0.1038 0.0598 0.0079 -0.0050 -0.0058 136 GLN A N 420 C CA . GLN A 55 ? 0.1010 0.1242 0.0814 -0.0003 0.0235 -0.0205 136 GLN A CA 421 C C . GLN A 55 ? 0.1223 0.1185 0.1171 0.0071 0.0006 -0.0106 136 GLN A C 422 O O . GLN A 55 ? 0.1472 0.1330 0.1342 0.0135 -0.0193 -0.0092 136 GLN A O 423 C CB . GLN A 55 ? 0.0792 0.1563 0.1001 0.0123 0.0253 -0.0059 136 GLN A CB 424 C CG . GLN A 55 ? 0.0669 0.1641 0.0861 0.0265 0.0205 -0.0044 136 GLN A CG 425 C CD . GLN A 55 ? 0.0641 0.1759 0.0902 0.0326 0.0293 0.0100 136 GLN A CD 426 O OE1 . GLN A 55 ? 0.1041 0.2058 0.1200 0.0201 0.0286 0.0063 136 GLN A OE1 427 N NE2 . GLN A 55 ? 0.0636 0.1502 0.0867 0.0417 0.0195 -0.0132 136 GLN A NE2 428 N N . GLY A 56 ? 0.0881 0.1133 0.0975 -0.0112 -0.0075 -0.0275 137 GLY A N 429 C CA . GLY A 56 ? 0.1080 0.1117 0.1354 -0.0131 -0.0189 0.0028 137 GLY A CA 430 C C . GLY A 56 ? 0.1147 0.0922 0.1249 -0.0132 -0.0372 0.0031 137 GLY A C 431 O O . GLY A 56 ? 0.1159 0.0914 0.1168 -0.0116 -0.0176 -0.0002 137 GLY A O 432 N N . ALA A 57 ? 0.1434 0.0892 0.0876 -0.0180 -0.0334 0.0165 138 ALA A N 433 C CA . ALA A 57 ? 0.1613 0.0775 0.0925 0.0001 -0.0423 -0.0467 138 ALA A CA 434 C C . ALA A 57 ? 0.1503 0.0789 0.1210 0.0027 -0.0168 -0.0285 138 ALA A C 435 O O . ALA A 57 ? 0.1468 0.0824 0.1030 -0.0055 -0.0122 -0.0363 138 ALA A O 436 C CB . ALA A 57 ? 0.1934 0.1088 0.1460 0.0235 -0.0223 -0.0649 138 ALA A CB 437 N N . LEU A 58 ? 0.1321 0.0700 0.1224 0.0129 -0.0042 -0.0150 139 LEU A N 438 C CA . LEU A 58 ? 0.1023 0.0776 0.0999 0.0183 0.0084 -0.0344 139 LEU A CA 439 C C . LEU A 58 ? 0.0959 0.0885 0.0929 0.0122 -0.0104 -0.0509 139 LEU A C 440 O O . LEU A 58 ? 0.1196 0.1071 0.0961 0.0268 -0.0306 -0.0484 139 LEU A O 441 C CB . LEU A 58 ? 0.0829 0.1142 0.0945 0.0356 0.0301 -0.0470 139 LEU A CB 442 C CG . LEU A 58 ? 0.0717 0.1318 0.0672 0.0467 0.0121 -0.0338 139 LEU A CG 443 C CD1 . LEU A 58 ? 0.0714 0.1392 0.1307 0.0457 -0.0062 -0.0308 139 LEU A CD1 444 C CD2 . LEU A 58 ? 0.0706 0.1534 0.0880 0.0348 -0.0299 -0.0354 139 LEU A CD2 445 N N . LEU A 59 ? 0.0709 0.1172 0.1015 -0.0058 -0.0046 -0.0076 140 LEU A N 446 C CA . LEU A 59 ? 0.0953 0.1318 0.0806 -0.0135 -0.0044 0.0091 140 LEU A CA 447 C C . LEU A 59 ? 0.1091 0.1276 0.0754 -0.0126 -0.0085 -0.0041 140 LEU A C 448 O O . LEU A 59 ? 0.1065 0.1513 0.0755 -0.0255 0.0011 -0.0030 140 LEU A O 449 C CB . LEU A 59 ? 0.1013 0.1353 0.1087 -0.0050 -0.0207 -0.0182 140 LEU A CB 450 C CG . LEU A 59 ? 0.0973 0.1405 0.1153 0.0106 -0.0051 -0.0473 140 LEU A CG 451 C CD1 . LEU A 59 ? 0.1214 0.1187 0.1148 0.0106 -0.0181 -0.0365 140 LEU A CD1 452 C CD2 . LEU A 59 ? 0.1040 0.1467 0.1585 0.0242 0.0054 -0.0296 140 LEU A CD2 453 N N . ASN A 60 ? 0.1294 0.1039 0.0590 -0.0131 0.0043 -0.0093 141 ASN A N 454 C CA . ASN A 60 ? 0.1429 0.0940 0.0823 -0.0125 0.0136 -0.0270 141 ASN A CA 455 C C . ASN A 60 ? 0.1457 0.1141 0.1026 -0.0062 0.0239 -0.0360 141 ASN A C 456 O O . ASN A 60 ? 0.1408 0.1472 0.1633 0.0015 0.0220 -0.0431 141 ASN A O 457 C CB . ASN A 60 ? 0.1512 0.0980 0.0974 -0.0085 0.0363 -0.0103 141 ASN A CB 458 C CG . ASN A 60 ? 0.1867 0.1196 0.1201 -0.0059 0.0569 -0.0195 141 ASN A CG 459 O OD1 . ASN A 60 ? 0.1965 0.1551 0.1437 -0.0196 0.0611 -0.0408 141 ASN A OD1 460 N ND2 . ASN A 60 ? 0.2013 0.1362 0.1298 -0.0175 0.0326 -0.0369 141 ASN A ND2 461 N N . ASP A 61 ? 0.1406 0.1160 0.0930 -0.0159 0.0105 -0.0157 142 ASP A N 462 C CA . ASP A 61 ? 0.1199 0.1180 0.0922 -0.0117 0.0108 -0.0073 142 ASP A CA 463 C C . ASP A 61 ? 0.1139 0.1200 0.0828 -0.0142 -0.0043 -0.0157 142 ASP A C 464 O O . ASP A 61 ? 0.1063 0.1339 0.1329 0.0021 0.0023 -0.0172 142 ASP A O 465 C CB . ASP A 61 ? 0.1078 0.1258 0.1091 -0.0172 0.0095 0.0050 142 ASP A CB 466 C CG . ASP A 61 ? 0.1324 0.1178 0.1271 -0.0128 -0.0088 -0.0089 142 ASP A CG 467 O OD1 . ASP A 61 ? 0.1436 0.1353 0.1510 0.0035 0.0009 -0.0279 142 ASP A OD1 468 O OD2 . ASP A 61 ? 0.1482 0.1163 0.1317 -0.0089 -0.0060 -0.0090 142 ASP A OD2 469 N N . LYS A 62 ? 0.1209 0.1286 0.1023 -0.0148 -0.0070 -0.0257 143 LYS A N 470 C CA . LYS A 62 ? 0.1232 0.1400 0.1341 -0.0150 -0.0213 -0.0399 143 LYS A CA 471 C C . LYS A 62 ? 0.1352 0.1332 0.1079 0.0068 -0.0034 -0.0071 143 LYS A C 472 O O . LYS A 62 ? 0.1560 0.1491 0.1118 0.0285 -0.0011 -0.0331 143 LYS A O 473 C CB . LYS A 62 ? 0.1050 0.1505 0.1453 -0.0525 -0.0395 -0.0417 143 LYS A CB 474 C CG . LYS A 62 ? 0.1068 0.1588 0.1554 -0.0854 -0.0343 -0.0398 143 LYS A CG 475 C CD . LYS A 62 ? 0.1245 0.1774 0.1908 -0.0888 -0.0582 -0.0437 143 LYS A CD 476 C CE . LYS A 62 ? 0.1458 0.1819 0.2012 -0.1025 -0.0544 -0.0229 143 LYS A CE 477 N NZ . LYS A 62 ? 0.1658 0.1884 0.2093 -0.0999 -0.0347 0.0025 143 LYS A NZ 478 N N . HIS A 63 ? 0.1233 0.1226 0.1025 0.0067 -0.0135 0.0090 144 HIS A N 479 C CA . HIS A 63 ? 0.1210 0.1267 0.0634 -0.0138 0.0047 -0.0015 144 HIS A CA 480 C C . HIS A 63 ? 0.1191 0.1318 0.0983 -0.0109 -0.0242 0.0047 144 HIS A C 481 O O . HIS A 63 ? 0.1296 0.1524 0.1183 0.0014 -0.0362 0.0031 144 HIS A O 482 C CB . HIS A 63 ? 0.1242 0.1241 0.0405 -0.0273 0.0141 -0.0139 144 HIS A CB 483 C CG . HIS A 63 ? 0.1141 0.1356 0.0788 -0.0344 -0.0090 -0.0362 144 HIS A CG 484 N ND1 . HIS A 63 ? 0.1032 0.1230 0.1221 -0.0165 -0.0169 -0.0429 144 HIS A ND1 485 C CD2 . HIS A 63 ? 0.1152 0.1466 0.1219 -0.0411 -0.0161 -0.0243 144 HIS A CD2 486 C CE1 . HIS A 63 ? 0.1130 0.1397 0.1443 -0.0205 -0.0107 -0.0307 144 HIS A CE1 487 N NE2 . HIS A 63 ? 0.1125 0.1599 0.1233 -0.0442 0.0017 -0.0520 144 HIS A NE2 488 N N . SER A 64 ? 0.1109 0.1307 0.0822 -0.0146 -0.0342 0.0087 145 SER A N 489 C CA . SER A 64 ? 0.1064 0.1219 0.0902 -0.0236 -0.0126 -0.0162 145 SER A CA 490 C C . SER A 64 ? 0.1264 0.1244 0.0742 -0.0075 -0.0067 -0.0354 145 SER A C 491 O O . SER A 64 ? 0.1136 0.1249 0.0918 0.0033 0.0163 -0.0162 145 SER A O 492 C CB . SER A 64 ? 0.1254 0.1185 0.0875 -0.0301 -0.0173 -0.0157 145 SER A CB 493 O OG . SER A 64 ? 0.1224 0.1161 0.1033 -0.0171 -0.0157 -0.0142 145 SER A OG 494 N N . ASN A 65 ? 0.1527 0.1339 0.0679 0.0177 -0.0087 -0.0524 146 ASN A N 495 C CA . ASN A 65 ? 0.1650 0.1690 0.0269 0.0049 -0.0231 -0.0465 146 ASN A CA 496 C C . ASN A 65 ? 0.1489 0.1558 0.0749 0.0003 -0.0194 -0.0334 146 ASN A C 497 O O . ASN A 65 ? 0.1363 0.1626 0.1295 0.0006 0.0027 -0.0314 146 ASN A O 498 C CB . ASN A 65 ? 0.2063 0.2119 0.0526 0.0194 -0.0419 -0.0607 146 ASN A CB 499 C CG . ASN A 65 ? 0.2633 0.2572 0.1260 0.0266 -0.0262 -0.0445 146 ASN A CG 500 O OD1 . ASN A 65 ? 0.2333 0.1893 0.0829 0.0292 -0.0277 -0.0302 146 ASN A OD1 501 N ND2 . ASN A 65 ? 0.3476 0.3655 0.1668 0.0274 -0.0139 -0.0934 146 ASN A ND2 502 N N A ASN A 66 ? 0.1434 0.1465 0.0807 0.0020 -0.0200 -0.0379 147 ASN A N 503 N N B ASN A 66 ? 0.1464 0.1509 0.0871 0.0063 -0.0137 -0.0341 147 ASN A N 504 C CA A ASN A 66 ? 0.1668 0.1429 0.1127 -0.0069 -0.0285 -0.0379 147 ASN A CA 505 C CA B ASN A 66 ? 0.1706 0.1516 0.1272 0.0006 -0.0199 -0.0289 147 ASN A CA 506 C C A ASN A 66 ? 0.1721 0.1429 0.1098 0.0087 -0.0063 -0.0172 147 ASN A C 507 C C B ASN A 66 ? 0.1749 0.1482 0.1148 0.0102 -0.0077 -0.0095 147 ASN A C 508 O O A ASN A 66 ? 0.1886 0.1393 0.1076 0.0383 -0.0066 -0.0104 147 ASN A O 509 O O B ASN A 66 ? 0.1944 0.1475 0.1089 0.0323 -0.0159 0.0053 147 ASN A O 510 C CB A ASN A 66 ? 0.1791 0.1426 0.1471 -0.0007 -0.0475 -0.0600 147 ASN A CB 511 C CB B ASN A 66 ? 0.1864 0.1579 0.1775 0.0135 -0.0284 -0.0442 147 ASN A CB 512 C CG A ASN A 66 ? 0.1968 0.1541 0.1832 -0.0193 -0.0551 -0.0706 147 ASN A CG 513 C CG B ASN A 66 ? 0.2085 0.1737 0.2226 0.0027 -0.0305 -0.0479 147 ASN A CG 514 O OD1 A ASN A 66 ? 0.2094 0.1770 0.2545 -0.0159 -0.0544 -0.0628 147 ASN A OD1 515 O OD1 B ASN A 66 ? 0.2223 0.1989 0.2291 0.0041 -0.0365 -0.0519 147 ASN A OD1 516 N ND2 A ASN A 66 ? 0.1983 0.1579 0.1639 -0.0136 -0.0428 -0.0685 147 ASN A ND2 517 N ND2 B ASN A 66 ? 0.2172 0.1667 0.2447 -0.0161 -0.0293 -0.0430 147 ASN A ND2 518 N N . THR A 67 ? 0.1591 0.1406 0.0788 0.0371 0.0113 -0.0272 148 THR A N 519 C CA . THR A 67 ? 0.1303 0.1418 0.0923 0.0363 0.0128 -0.0147 148 THR A CA 520 C C . THR A 67 ? 0.1160 0.1534 0.0872 0.0140 0.0302 -0.0302 148 THR A C 521 O O . THR A 67 ? 0.1173 0.1663 0.0863 0.0071 -0.0140 -0.0042 148 THR A O 522 C CB . THR A 67 ? 0.1164 0.1474 0.0671 0.0207 0.0204 -0.0131 148 THR A CB 523 O OG1 . THR A 67 ? 0.1447 0.1353 0.0449 -0.0060 0.0040 -0.0184 148 THR A OG1 524 C CG2 . THR A 67 ? 0.0984 0.1519 0.0995 0.0168 0.0131 -0.0117 148 THR A CG2 525 N N . VAL A 68 ? 0.1125 0.1552 0.1156 0.0127 0.0179 -0.0193 149 VAL A N 526 C CA . VAL A 68 ? 0.1179 0.1488 0.1206 0.0050 0.0360 -0.0034 149 VAL A CA 527 C C . VAL A 68 ? 0.1475 0.1417 0.1304 0.0020 0.0007 0.0081 149 VAL A C 528 O O . VAL A 68 ? 0.1576 0.1382 0.1300 0.0094 -0.0139 0.0065 149 VAL A O 529 C CB . VAL A 68 ? 0.1139 0.1614 0.1487 -0.0114 0.0194 -0.0192 149 VAL A CB 530 C CG1 . VAL A 68 ? 0.1542 0.1699 0.1626 -0.0080 0.0061 -0.0325 149 VAL A CG1 531 C CG2 . VAL A 68 ? 0.1109 0.1703 0.1763 -0.0028 0.0458 -0.0048 149 VAL A CG2 532 N N . LYS A 69 ? 0.1496 0.1336 0.1247 -0.0175 0.0028 0.0057 150 LYS A N 533 C CA . LYS A 69 ? 0.1807 0.1421 0.0978 -0.0064 -0.0140 -0.0134 150 LYS A CA 534 C C . LYS A 69 ? 0.1725 0.1138 0.1120 -0.0001 -0.0095 -0.0027 150 LYS A C 535 O O . LYS A 69 ? 0.1767 0.1036 0.1533 0.0184 0.0018 -0.0131 150 LYS A O 536 C CB . LYS A 69 ? 0.2265 0.2118 0.1819 0.0114 -0.0487 -0.0586 150 LYS A CB 537 C CG . LYS A 69 ? 0.3092 0.2909 0.3677 0.0064 -0.0553 -0.0516 150 LYS A CG 538 C CD . LYS A 69 ? 0.3755 0.3434 0.5012 0.0128 -0.0602 -0.0328 150 LYS A CD 539 C CE . LYS A 69 ? 0.4239 0.3936 0.5683 0.0293 -0.0400 -0.0165 150 LYS A CE 540 N NZ . LYS A 69 ? 0.4500 0.4211 0.6050 0.0363 -0.0339 -0.0019 150 LYS A NZ 541 N N . ASP A 70 ? 0.1672 0.0900 0.1205 -0.0139 -0.0128 0.0167 151 ASP A N 542 C CA . ASP A 70 ? 0.1389 0.1082 0.1107 0.0045 0.0082 0.0076 151 ASP A CA 543 C C . ASP A 70 ? 0.1198 0.0931 0.1225 -0.0183 0.0191 -0.0088 151 ASP A C 544 O O . ASP A 70 ? 0.1350 0.0908 0.1020 -0.0037 0.0094 -0.0195 151 ASP A O 545 C CB . ASP A 70 ? 0.1203 0.1224 0.0921 0.0268 0.0045 -0.0161 151 ASP A CB 546 C CG . ASP A 70 ? 0.1420 0.1484 0.1513 0.0135 0.0054 -0.0278 151 ASP A CG 547 O OD1 . ASP A 70 ? 0.1476 0.1635 0.1574 -0.0105 0.0032 -0.0279 151 ASP A OD1 548 O OD2 . ASP A 70 ? 0.1803 0.1882 0.2264 0.0169 0.0023 -0.0447 151 ASP A OD2 549 N N . ARG A 71 ? 0.1087 0.1201 0.1035 -0.0148 0.0035 -0.0018 152 ARG A N 550 C CA . ARG A 71 ? 0.0899 0.1262 0.0890 -0.0013 -0.0101 0.0019 152 ARG A CA 551 C C . ARG A 71 ? 0.1000 0.1588 0.1105 -0.0049 -0.0223 -0.0118 152 ARG A C 552 O O . ARG A 71 ? 0.1252 0.1871 0.0846 0.0118 0.0050 -0.0417 152 ARG A O 553 C CB . ARG A 71 ? 0.0976 0.1237 0.1008 0.0215 -0.0136 0.0094 152 ARG A CB 554 C CG . ARG A 71 ? 0.0955 0.1008 0.1047 0.0281 0.0024 0.0068 152 ARG A CG 555 C CD . ARG A 71 ? 0.1248 0.0629 0.0987 0.0452 0.0259 -0.0268 152 ARG A CD 556 N NE . ARG A 71 ? 0.1590 0.0851 0.1317 0.0460 0.0288 -0.0362 152 ARG A NE 557 C CZ . ARG A 71 ? 0.1924 0.0922 0.1230 0.0223 0.0212 -0.0550 152 ARG A CZ 558 N NH1 . ARG A 71 ? 0.2049 0.1017 0.1516 0.0096 0.0361 -0.0488 152 ARG A NH1 559 N NH2 . ARG A 71 ? 0.2067 0.1028 0.1435 0.0234 0.0114 -0.0523 152 ARG A NH2 560 N N . SER A 72 ? 0.0943 0.1368 0.0993 0.0190 -0.0309 -0.0029 153 SER A N 561 C CA . SER A 72 ? 0.1189 0.1313 0.0906 0.0083 -0.0291 0.0151 153 SER A CA 562 C C . SER A 72 ? 0.1304 0.1234 0.0815 0.0058 -0.0050 0.0112 153 SER A C 563 O O . SER A 72 ? 0.1454 0.1361 0.0746 0.0206 -0.0244 -0.0031 153 SER A O 564 C CB . SER A 72 ? 0.1404 0.1191 0.0938 0.0196 -0.0089 -0.0056 153 SER A CB 565 O OG . SER A 72 ? 0.1322 0.1343 0.1138 -0.0059 0.0019 -0.0155 153 SER A OG 566 N N . PRO A 73 ? 0.1208 0.1093 0.0946 -0.0252 -0.0055 -0.0006 154 PRO A N 567 C CA . PRO A 73 ? 0.1214 0.1173 0.1254 -0.0279 -0.0181 -0.0238 154 PRO A CA 568 C C . PRO A 73 ? 0.1084 0.1035 0.0962 -0.0006 -0.0082 -0.0189 154 PRO A C 569 O O . PRO A 73 ? 0.1328 0.1108 0.1255 0.0082 0.0350 -0.0062 154 PRO A O 570 C CB . PRO A 73 ? 0.1305 0.1327 0.1385 -0.0398 -0.0195 -0.0339 154 PRO A CB 571 C CG . PRO A 73 ? 0.1376 0.1410 0.1256 -0.0405 -0.0109 -0.0332 154 PRO A CG 572 C CD . PRO A 73 ? 0.1368 0.1276 0.1125 -0.0437 -0.0221 -0.0114 154 PRO A CD 573 N N . TYR A 74 ? 0.0978 0.0901 0.1022 0.0046 -0.0165 -0.0128 155 TYR A N 574 C CA . TYR A 74 ? 0.1086 0.1000 0.0729 0.0137 -0.0193 -0.0144 155 TYR A CA 575 C C . TYR A 74 ? 0.0936 0.1249 0.1197 0.0052 -0.0271 -0.0239 155 TYR A C 576 O O . TYR A 74 ? 0.1075 0.1375 0.1648 0.0098 -0.0324 -0.0277 155 TYR A O 577 C CB . TYR A 74 ? 0.1298 0.1092 0.0529 0.0009 -0.0079 -0.0220 155 TYR A CB 578 C CG . TYR A 74 ? 0.1375 0.1185 0.0490 0.0007 -0.0122 -0.0423 155 TYR A CG 579 C CD1 . TYR A 74 ? 0.1153 0.1237 0.0641 -0.0055 -0.0067 -0.0465 155 TYR A CD1 580 C CD2 . TYR A 74 ? 0.1408 0.1284 0.0990 -0.0018 0.0161 -0.0581 155 TYR A CD2 581 C CE1 . TYR A 74 ? 0.1217 0.1567 0.0953 -0.0216 -0.0097 -0.0653 155 TYR A CE1 582 C CE2 . TYR A 74 ? 0.1393 0.1557 0.1437 -0.0285 -0.0111 -0.0569 155 TYR A CE2 583 C CZ . TYR A 74 ? 0.1318 0.1803 0.1645 -0.0331 0.0049 -0.0827 155 TYR A CZ 584 O OH . TYR A 74 ? 0.1554 0.2394 0.2516 -0.0535 0.0255 -0.0893 155 TYR A OH 585 N N . ARG A 75 ? 0.1025 0.1337 0.0802 0.0081 -0.0269 0.0028 156 ARG A N 586 C CA . ARG A 75 ? 0.0629 0.1242 0.0584 -0.0040 -0.0156 -0.0049 156 ARG A CA 587 C C . ARG A 75 ? 0.0829 0.1172 0.0477 -0.0116 0.0140 0.0073 156 ARG A C 588 O O . ARG A 75 ? 0.1007 0.1116 0.0694 -0.0163 0.0281 0.0107 156 ARG A O 589 C CB . ARG A 75 ? 0.0637 0.1296 0.0794 0.0022 0.0133 -0.0012 156 ARG A CB 590 C CG . ARG A 75 ? 0.0682 0.1266 0.0779 0.0055 0.0193 -0.0290 156 ARG A CG 591 C CD . ARG A 75 ? 0.0671 0.1071 0.1172 -0.0206 -0.0010 -0.0204 156 ARG A CD 592 N NE . ARG A 75 ? 0.0804 0.0832 0.1116 -0.0175 0.0155 -0.0066 156 ARG A NE 593 C CZ . ARG A 75 ? 0.1138 0.0993 0.1024 -0.0012 0.0106 -0.0207 156 ARG A CZ 594 N NH1 . ARG A 75 ? 0.1225 0.0960 0.0982 0.0237 0.0077 -0.0199 156 ARG A NH1 595 N NH2 . ARG A 75 ? 0.1341 0.1205 0.0838 0.0005 0.0158 -0.0316 156 ARG A NH2 596 N N . ALA A 76 ? 0.0913 0.1183 0.0460 -0.0109 -0.0173 -0.0092 157 ALA A N 597 C CA . ALA A 76 ? 0.0915 0.1167 0.0615 -0.0077 -0.0230 -0.0284 157 ALA A CA 598 C C . ALA A 76 ? 0.1017 0.1185 0.0667 -0.0072 -0.0183 -0.0024 157 ALA A C 599 O O . ALA A 76 ? 0.1028 0.1440 0.0852 -0.0055 -0.0029 0.0143 157 ALA A O 600 C CB . ALA A 76 ? 0.1103 0.1432 0.1192 0.0263 -0.0423 -0.0593 157 ALA A CB 601 N N . LEU A 77 ? 0.1015 0.0954 0.0872 0.0101 -0.0236 -0.0263 158 LEU A N 602 C CA . LEU A 77 ? 0.0860 0.0927 0.0700 -0.0005 -0.0177 0.0130 158 LEU A CA 603 C C . LEU A 77 ? 0.0922 0.0820 0.0865 0.0182 -0.0010 0.0241 158 LEU A C 604 O O . LEU A 77 ? 0.0956 0.0755 0.1283 0.0036 0.0089 0.0138 158 LEU A O 605 C CB . LEU A 77 ? 0.0748 0.1057 0.0513 -0.0114 -0.0219 0.0137 158 LEU A CB 606 C CG . LEU A 77 ? 0.0857 0.1119 0.0475 -0.0125 -0.0094 0.0118 158 LEU A CG 607 C CD1 . LEU A 77 ? 0.0933 0.1064 0.0863 -0.0156 0.0167 0.0155 158 LEU A CD1 608 C CD2 . LEU A 77 ? 0.1033 0.1221 0.0531 0.0079 0.0110 0.0372 158 LEU A CD2 609 N N . MET A 78 ? 0.1067 0.0796 0.0752 0.0179 -0.0163 0.0035 159 MET A N 610 C CA . MET A 78 ? 0.1010 0.0869 0.0812 0.0153 -0.0445 0.0023 159 MET A CA 611 C C . MET A 78 ? 0.1150 0.0800 0.0921 0.0022 -0.0219 -0.0078 159 MET A C 612 O O . MET A 78 ? 0.1383 0.0812 0.1210 0.0055 -0.0208 -0.0078 159 MET A O 613 C CB . MET A 78 ? 0.1151 0.1096 0.0796 0.0092 -0.0448 -0.0199 159 MET A CB 614 C CG . MET A 78 ? 0.1186 0.1122 0.0950 0.0192 -0.0537 -0.0185 159 MET A CG 615 S SD . MET A 78 ? 0.1166 0.1570 0.1354 0.0334 -0.0303 0.0075 159 MET A SD 616 C CE . MET A 78 ? 0.1414 0.1948 0.2338 0.0474 -0.0234 -0.0159 159 MET A CE 617 N N . SER A 79 ? 0.0939 0.0718 0.0956 -0.0045 -0.0075 -0.0309 160 SER A N 618 C CA . SER A 79 ? 0.0984 0.0781 0.0889 -0.0079 -0.0091 -0.0047 160 SER A CA 619 C C . SER A 79 ? 0.0978 0.0763 0.0803 0.0105 0.0070 -0.0078 160 SER A C 620 O O . SER A 79 ? 0.0880 0.0860 0.1175 0.0030 0.0047 -0.0231 160 SER A O 621 C CB . SER A 79 ? 0.1004 0.1142 0.0818 -0.0161 -0.0151 -0.0078 160 SER A CB 622 O OG . SER A 79 ? 0.1044 0.1368 0.0997 -0.0063 0.0108 0.0174 160 SER A OG 623 N N . VAL A 80 ? 0.1067 0.0702 0.1065 0.0077 0.0034 -0.0203 161 VAL A N 624 C CA . VAL A 80 ? 0.0967 0.0517 0.0918 -0.0007 -0.0091 -0.0029 161 VAL A CA 625 C C . VAL A 80 ? 0.1018 0.0743 0.1190 0.0001 -0.0134 0.0000 161 VAL A C 626 O O . VAL A 80 ? 0.1329 0.0993 0.1252 -0.0011 -0.0182 -0.0141 161 VAL A O 627 C CB . VAL A 80 ? 0.1005 0.0929 0.1211 -0.0115 0.0004 -0.0090 161 VAL A CB 628 C CG1 . VAL A 80 ? 0.1261 0.1086 0.1117 -0.0187 -0.0254 -0.0211 161 VAL A CG1 629 C CG2 . VAL A 80 ? 0.0724 0.0840 0.1273 0.0083 0.0321 -0.0103 161 VAL A CG2 630 N N . PRO A 81 ? 0.0817 0.1001 0.1282 0.0022 0.0055 -0.0375 162 PRO A N 631 C CA . PRO A 81 ? 0.0921 0.1126 0.1386 -0.0097 0.0029 -0.0443 162 PRO A CA 632 C C . PRO A 81 ? 0.1007 0.1224 0.1130 -0.0016 -0.0090 -0.0159 162 PRO A C 633 O O . PRO A 81 ? 0.1206 0.1138 0.1197 -0.0020 0.0020 -0.0018 162 PRO A O 634 C CB . PRO A 81 ? 0.1053 0.1229 0.1694 0.0142 0.0157 -0.0433 162 PRO A CB 635 C CG . PRO A 81 ? 0.1131 0.1086 0.2111 0.0072 -0.0027 -0.0532 162 PRO A CG 636 C CD . PRO A 81 ? 0.0964 0.1033 0.1809 0.0221 0.0100 -0.0551 162 PRO A CD 637 N N . LEU A 82 ? 0.0981 0.1256 0.1403 -0.0250 -0.0064 -0.0165 163 LEU A N 638 C CA . LEU A 82 ? 0.0988 0.1608 0.1566 -0.0314 -0.0004 -0.0073 163 LEU A CA 639 C C . LEU A 82 ? 0.1186 0.1422 0.1470 -0.0254 0.0116 0.0011 163 LEU A C 640 O O . LEU A 82 ? 0.1330 0.1399 0.1915 -0.0485 0.0259 -0.0159 163 LEU A O 641 C CB . LEU A 82 ? 0.1044 0.2124 0.1549 -0.0273 -0.0157 -0.0242 163 LEU A CB 642 C CG . LEU A 82 ? 0.1192 0.2472 0.1884 -0.0283 0.0013 -0.0122 163 LEU A CG 643 C CD1 . LEU A 82 ? 0.1138 0.2287 0.2078 -0.0100 0.0245 -0.0113 163 LEU A CD1 644 C CD2 . LEU A 82 ? 0.1253 0.2855 0.2364 -0.0202 -0.0247 0.0341 163 LEU A CD2 645 N N . GLY A 83 ? 0.1201 0.1247 0.1548 -0.0056 0.0040 0.0189 164 GLY A N 646 C CA . GLY A 83 ? 0.1230 0.1355 0.1427 -0.0197 -0.0027 0.0022 164 GLY A CA 647 C C . GLY A 83 ? 0.1315 0.1211 0.1099 -0.0317 0.0088 -0.0108 164 GLY A C 648 O O . GLY A 83 ? 0.1532 0.1406 0.1391 -0.0466 0.0126 0.0076 164 GLY A O 649 N N . SER A 84 A 0.1264 0.1250 0.1217 -0.0280 0.0153 -0.0130 164 SER A N 650 C CA . SER A 84 A 0.1294 0.1347 0.1375 -0.0317 0.0307 -0.0251 164 SER A CA 651 C C . SER A 84 A 0.1448 0.1471 0.1343 -0.0216 0.0231 -0.0097 164 SER A C 652 O O . SER A 84 A 0.1508 0.1508 0.1615 -0.0214 0.0476 -0.0086 164 SER A O 653 C CB . SER A 84 A 0.1157 0.1426 0.1400 -0.0134 0.0343 -0.0331 164 SER A CB 654 O OG . SER A 84 A 0.1047 0.1716 0.1588 -0.0145 0.0218 -0.0232 164 SER A OG 655 N N . SER A 85 ? 0.1408 0.1435 0.0982 -0.0370 -0.0036 -0.0131 165 SER A N 656 C CA . SER A 85 ? 0.1248 0.1155 0.0894 -0.0039 0.0025 -0.0039 165 SER A CA 657 C C . SER A 85 ? 0.1223 0.1087 0.1246 0.0026 0.0120 0.0081 165 SER A C 658 O O . SER A 85 ? 0.1227 0.0990 0.1002 -0.0145 0.0094 0.0009 165 SER A O 659 C CB . SER A 85 ? 0.1001 0.1252 0.1143 0.0005 0.0090 0.0101 165 SER A CB 660 O OG . SER A 85 ? 0.1187 0.1438 0.1400 -0.0016 0.0134 0.0211 165 SER A OG 661 N N . PRO A 86 ? 0.1252 0.0877 0.1134 0.0119 0.0112 0.0155 166 PRO A N 662 C CA . PRO A 86 ? 0.1221 0.0859 0.1317 0.0198 -0.0175 0.0129 166 PRO A CA 663 C C . PRO A 86 ? 0.1223 0.0939 0.1252 -0.0021 -0.0108 0.0212 166 PRO A C 664 O O . PRO A 86 ? 0.1401 0.0929 0.1197 -0.0132 -0.0126 0.0190 166 PRO A O 665 C CB . PRO A 86 ? 0.1340 0.0814 0.1415 0.0180 0.0322 0.0394 166 PRO A CB 666 C CG . PRO A 86 ? 0.1472 0.0664 0.1163 -0.0039 0.0350 0.0569 166 PRO A CG 667 C CD . PRO A 86 ? 0.1505 0.0692 0.1241 0.0053 0.0409 0.0203 166 PRO A CD 668 N N . ASN A 87 ? 0.1135 0.1184 0.1083 0.0221 0.0016 0.0014 167 ASN A N 669 C CA . ASN A 87 ? 0.0998 0.1147 0.0935 0.0171 -0.0071 -0.0091 167 ASN A CA 670 C C . ASN A 87 ? 0.1136 0.1132 0.0738 0.0019 0.0086 0.0021 167 ASN A C 671 O O . ASN A 87 ? 0.1309 0.1224 0.0783 -0.0072 0.0007 0.0176 167 ASN A O 672 C CB . ASN A 87 ? 0.1168 0.1041 0.1066 0.0089 0.0196 -0.0216 167 ASN A CB 673 C CG . ASN A 87 ? 0.1253 0.0990 0.1336 0.0152 -0.0080 -0.0094 167 ASN A CG 674 O OD1 . ASN A 87 ? 0.1348 0.0948 0.1317 0.0081 -0.0102 0.0040 167 ASN A OD1 675 N ND2 . ASN A 87 ? 0.1148 0.0995 0.1482 0.0211 -0.0297 -0.0117 167 ASN A ND2 676 N N . ALA A 88 ? 0.0922 0.1129 0.0949 -0.0122 -0.0100 0.0149 168 ALA A N 677 C CA . ALA A 88 ? 0.1009 0.1135 0.1060 -0.0159 0.0017 -0.0019 168 ALA A CA 678 C C . ALA A 88 ? 0.1153 0.1038 0.1243 0.0012 0.0069 0.0057 168 ALA A C 679 O O . ALA A 88 ? 0.1412 0.1080 0.1650 -0.0056 0.0319 -0.0022 168 ALA A O 680 C CB . ALA A 88 ? 0.1094 0.1304 0.1154 -0.0328 0.0154 -0.0422 168 ALA A CB 681 N N . TYR A 89 ? 0.1105 0.1124 0.0879 0.0115 0.0021 0.0085 169 TYR A N 682 C CA . TYR A 89 ? 0.1070 0.1135 0.0678 0.0005 -0.0084 0.0076 169 TYR A CA 683 C C . TYR A 89 ? 0.1141 0.1521 0.0755 0.0020 -0.0027 -0.0080 169 TYR A C 684 O O . TYR A 89 ? 0.1130 0.2064 0.1421 -0.0046 0.0207 -0.0041 169 TYR A O 685 C CB . TYR A 89 ? 0.1085 0.0967 0.0712 -0.0062 -0.0230 -0.0057 169 TYR A CB 686 C CG . TYR A 89 ? 0.1060 0.1034 0.0952 -0.0068 -0.0244 0.0055 169 TYR A CG 687 C CD1 . TYR A 89 ? 0.1054 0.1063 0.1232 -0.0028 -0.0071 0.0140 169 TYR A CD1 688 C CD2 . TYR A 89 ? 0.0987 0.0990 0.0926 0.0040 -0.0301 0.0022 169 TYR A CD2 689 C CE1 . TYR A 89 ? 0.1139 0.1207 0.1221 0.0160 -0.0149 0.0343 169 TYR A CE1 690 C CE2 . TYR A 89 ? 0.0784 0.1050 0.1240 -0.0063 -0.0468 -0.0208 169 TYR A CE2 691 C CZ . TYR A 89 ? 0.0916 0.1239 0.1126 -0.0077 -0.0213 0.0072 169 TYR A CZ 692 O OH . TYR A 89 ? 0.1092 0.1407 0.1096 -0.0186 -0.0195 -0.0259 169 TYR A OH 693 N N . GLN A 90 ? 0.1068 0.1319 0.0827 0.0030 -0.0378 -0.0084 170 GLN A N 694 C CA . GLN A 90 ? 0.1091 0.1146 0.0958 -0.0183 -0.0195 -0.0177 170 GLN A CA 695 C C . GLN A 90 ? 0.0964 0.1376 0.0744 -0.0020 -0.0079 -0.0090 170 GLN A C 696 O O . GLN A 90 ? 0.1151 0.1879 0.1231 0.0122 -0.0168 0.0263 170 GLN A O 697 C CB . GLN A 90 ? 0.1582 0.0943 0.1422 -0.0082 0.0084 -0.0479 170 GLN A CB 698 C CG . GLN A 90 ? 0.1989 0.1034 0.1294 -0.0311 -0.0053 -0.0998 170 GLN A CG 699 C CD . GLN A 90 ? 0.2312 0.1462 0.1997 -0.0551 0.0191 -0.0995 170 GLN A CD 700 O OE1 . GLN A 90 ? 0.2226 0.1370 0.1729 -0.0547 0.0185 -0.0791 170 GLN A OE1 701 N NE2 . GLN A 90 ? 0.2644 0.2300 0.2940 -0.0895 0.0029 -0.1102 170 GLN A NE2 702 N N . ALA A 91 ? 0.0918 0.1197 0.1185 0.0116 -0.0064 -0.0050 171 ALA A N 703 C CA . ALA A 91 ? 0.1091 0.1218 0.0818 0.0295 -0.0067 0.0080 171 ALA A CA 704 C C . ALA A 91 ? 0.0925 0.1288 0.0957 0.0117 -0.0145 0.0193 171 ALA A C 705 O O . ALA A 91 ? 0.1022 0.1711 0.1685 -0.0033 -0.0368 0.0466 171 ALA A O 706 C CB . ALA A 91 ? 0.1412 0.1399 0.0800 0.0555 0.0223 -0.0138 171 ALA A CB 707 N N . LYS A 92 ? 0.0937 0.1081 0.0731 -0.0066 -0.0023 0.0396 172 LYS A N 708 C CA . LYS A 92 ? 0.1176 0.1171 0.0593 0.0095 0.0175 0.0104 172 LYS A CA 709 C C . LYS A 92 ? 0.0932 0.1029 0.0914 -0.0056 0.0066 0.0067 172 LYS A C 710 O O . LYS A 92 ? 0.1001 0.1245 0.1039 0.0015 0.0309 -0.0015 172 LYS A O 711 C CB . LYS A 92 ? 0.1524 0.1458 0.0340 0.0233 -0.0039 0.0172 172 LYS A CB 712 C CG . LYS A 92 ? 0.2078 0.1871 0.0589 0.0346 -0.0150 0.0180 172 LYS A CG 713 C CD . LYS A 92 ? 0.2596 0.2426 0.1271 0.0199 -0.0163 0.0495 172 LYS A CD 714 C CE . LYS A 92 ? 0.3009 0.3130 0.2138 0.0345 -0.0324 0.0574 172 LYS A CE 715 N NZ . LYS A 92 ? 0.3321 0.3565 0.2661 0.0470 -0.0165 0.0431 172 LYS A NZ 716 N N . PHE A 93 ? 0.0913 0.0780 0.1111 -0.0086 -0.0062 0.0111 173 PHE A N 717 C CA . PHE A 93 ? 0.0855 0.0755 0.1284 -0.0339 -0.0220 0.0198 173 PHE A CA 718 C C . PHE A 93 ? 0.1204 0.1098 0.1189 0.0113 -0.0074 0.0305 173 PHE A C 719 O O . PHE A 93 ? 0.1578 0.1406 0.1100 0.0170 0.0199 0.0189 173 PHE A O 720 C CB . PHE A 93 ? 0.0937 0.0885 0.1767 -0.0290 -0.0192 0.0221 173 PHE A CB 721 C CG . PHE A 93 ? 0.0924 0.0873 0.1802 -0.0241 -0.0060 0.0209 173 PHE A CG 722 C CD1 . PHE A 93 ? 0.0971 0.1037 0.1588 -0.0259 -0.0206 -0.0088 173 PHE A CD1 723 C CD2 . PHE A 93 ? 0.1188 0.0962 0.2071 -0.0285 -0.0187 0.0290 173 PHE A CD2 724 C CE1 . PHE A 93 ? 0.1001 0.0961 0.1852 -0.0210 -0.0345 -0.0005 173 PHE A CE1 725 C CE2 . PHE A 93 ? 0.1107 0.1012 0.1931 -0.0113 -0.0388 0.0043 173 PHE A CE2 726 C CZ . PHE A 93 ? 0.0977 0.1091 0.1915 -0.0153 -0.0291 0.0064 173 PHE A CZ 727 N N . GLU A 94 ? 0.0951 0.0945 0.1086 0.0208 -0.0135 0.0175 174 GLU A N 728 C CA . GLU A 94 ? 0.1015 0.1052 0.0970 -0.0098 0.0029 0.0148 174 GLU A CA 729 C C . GLU A 94 ? 0.1146 0.1209 0.0953 0.0078 0.0015 0.0106 174 GLU A C 730 O O . GLU A 94 ? 0.1315 0.1455 0.0942 0.0076 0.0224 -0.0021 174 GLU A O 731 C CB . GLU A 94 ? 0.1184 0.1000 0.1260 -0.0171 0.0179 0.0013 174 GLU A CB 732 C CG . GLU A 94 ? 0.1495 0.1021 0.1189 -0.0021 0.0103 0.0113 174 GLU A CG 733 C CD . GLU A 94 ? 0.1704 0.1112 0.1296 -0.0137 0.0133 0.0333 174 GLU A CD 734 O OE1 . GLU A 94 ? 0.2187 0.1303 0.1546 -0.0136 0.0169 0.0316 174 GLU A OE1 735 O OE2 . GLU A 94 ? 0.1718 0.1275 0.1511 -0.0192 -0.0095 0.0185 174 GLU A OE2 736 N N . SER A 95 ? 0.1039 0.0928 0.1067 0.0075 -0.0071 -0.0034 175 SER A N 737 C CA . SER A 95 ? 0.1158 0.1103 0.1064 0.0223 -0.0193 -0.0280 175 SER A CA 738 C C . SER A 95 ? 0.1187 0.1160 0.0884 0.0162 0.0060 -0.0306 175 SER A C 739 O O . SER A 95 ? 0.1275 0.1250 0.0664 -0.0005 0.0116 -0.0077 175 SER A O 740 C CB . SER A 95 ? 0.1205 0.0910 0.1490 0.0098 -0.0250 -0.0109 175 SER A CB 741 O OG . SER A 95 ? 0.1123 0.0839 0.1045 -0.0159 -0.0053 -0.0135 175 SER A OG 742 N N . VAL A 96 ? 0.1084 0.1012 0.0812 0.0116 0.0259 -0.0196 176 VAL A N 743 C CA . VAL A 96 ? 0.0979 0.0975 0.1011 0.0233 0.0323 -0.0310 176 VAL A CA 744 C C . VAL A 96 ? 0.0881 0.1077 0.1209 0.0206 0.0082 0.0203 176 VAL A C 745 O O . VAL A 96 ? 0.1032 0.1405 0.1286 0.0258 -0.0061 0.0526 176 VAL A O 746 C CB . VAL A 96 ? 0.0913 0.1098 0.1246 0.0263 0.0485 -0.0107 176 VAL A CB 747 C CG1 . VAL A 96 ? 0.1182 0.1019 0.1113 -0.0071 0.0318 -0.0028 176 VAL A CG1 748 C CG2 . VAL A 96 ? 0.0794 0.1080 0.1361 0.0263 0.0419 0.0126 176 VAL A CG2 749 N N . ALA A 97 ? 0.0625 0.0967 0.1141 0.0202 0.0206 -0.0055 177 ALA A N 750 C CA . ALA A 97 ? 0.0965 0.1162 0.0909 0.0164 0.0200 -0.0243 177 ALA A CA 751 C C . ALA A 97 ? 0.1059 0.1147 0.0727 0.0047 0.0128 -0.0102 177 ALA A C 752 O O . ALA A 97 ? 0.1274 0.1005 0.0970 -0.0065 0.0019 -0.0136 177 ALA A O 753 C CB . ALA A 97 ? 0.1082 0.1124 0.0614 0.0124 -0.0036 -0.0417 177 ALA A CB 754 N N . TRP A 98 ? 0.1046 0.1140 0.0590 0.0103 0.0270 -0.0252 178 TRP A N 755 C CA . TRP A 98 ? 0.1064 0.0980 0.0548 0.0076 -0.0121 -0.0139 178 TRP A CA 756 C C . TRP A 98 ? 0.1115 0.0863 0.0887 0.0145 -0.0272 -0.0292 178 TRP A C 757 O O . TRP A 98 ? 0.0903 0.0847 0.0966 0.0203 -0.0111 -0.0326 178 TRP A O 758 C CB . TRP A 98 ? 0.1144 0.0915 0.0851 -0.0024 -0.0079 -0.0117 178 TRP A CB 759 C CG . TRP A 98 ? 0.1031 0.0921 0.0950 0.0035 -0.0189 -0.0197 178 TRP A CG 760 C CD1 . TRP A 98 ? 0.1043 0.0787 0.0963 -0.0060 -0.0015 0.0055 178 TRP A CD1 761 C CD2 . TRP A 98 ? 0.0955 0.0883 0.1089 0.0122 -0.0171 -0.0212 178 TRP A CD2 762 N NE1 . TRP A 98 ? 0.0891 0.0816 0.0991 0.0224 -0.0232 0.0162 178 TRP A NE1 763 C CE2 . TRP A 98 ? 0.0954 0.0960 0.0915 0.0207 -0.0145 -0.0020 178 TRP A CE2 764 C CE3 . TRP A 98 ? 0.0926 0.1000 0.1017 0.0137 -0.0055 0.0021 178 TRP A CE3 765 C CZ2 . TRP A 98 ? 0.0726 0.0632 0.1219 0.0177 -0.0005 0.0043 178 TRP A CZ2 766 C CZ3 . TRP A 98 ? 0.0989 0.0730 0.1078 -0.0074 0.0108 -0.0183 178 TRP A CZ3 767 C CH2 . TRP A 98 ? 0.0838 0.0698 0.1275 -0.0073 -0.0001 -0.0143 178 TRP A CH2 768 N N . SER A 99 ? 0.1076 0.0893 0.0552 0.0079 -0.0513 -0.0420 179 SER A N 769 C CA . SER A 99 ? 0.0970 0.0950 0.0700 0.0174 -0.0200 -0.0276 179 SER A CA 770 C C . SER A 99 ? 0.0925 0.0870 0.0784 0.0206 -0.0065 -0.0264 179 SER A C 771 O O . SER A 99 ? 0.1025 0.1032 0.1247 -0.0028 0.0175 -0.0084 179 SER A O 772 C CB . SER A 99 ? 0.0835 0.0902 0.1050 0.0137 -0.0161 -0.0111 179 SER A CB 773 O OG . SER A 99 ? 0.0958 0.0877 0.1092 0.0130 0.0008 -0.0102 179 SER A OG 774 N N . ALA A 100 ? 0.0820 0.0689 0.0831 0.0346 0.0005 -0.0369 180 ALA A N 775 C CA . ALA A 100 ? 0.0986 0.0693 0.0583 0.0431 -0.0302 -0.0356 180 ALA A CA 776 C C . ALA A 100 ? 0.0900 0.0822 0.0789 0.0274 -0.0104 -0.0125 180 ALA A C 777 O O . ALA A 100 ? 0.0759 0.0928 0.0937 0.0079 -0.0078 0.0019 180 ALA A O 778 C CB . ALA A 100 ? 0.1235 0.0831 0.1181 0.0459 -0.0452 -0.0376 180 ALA A CB 779 N N . THR A 101 ? 0.0975 0.0978 0.0694 0.0057 -0.0166 -0.0078 181 THR A N 780 C CA . THR A 101 ? 0.1073 0.1252 0.0900 0.0143 -0.0258 -0.0134 181 THR A CA 781 C C . THR A 101 ? 0.1318 0.1270 0.0892 0.0117 0.0110 -0.0278 181 THR A C 782 O O . THR A 101 ? 0.1424 0.1363 0.1219 -0.0094 0.0350 -0.0483 181 THR A O 783 C CB . THR A 101 ? 0.1110 0.1093 0.0543 -0.0074 -0.0222 0.0176 181 THR A CB 784 O OG1 . THR A 101 ? 0.1322 0.1377 0.0767 -0.0102 -0.0122 -0.0221 181 THR A OG1 785 C CG2 . THR A 101 ? 0.1064 0.1084 0.0943 -0.0048 0.0205 0.0454 181 THR A CG2 786 N N . ALA A 102 ? 0.1274 0.1146 0.0660 0.0263 0.0131 -0.0328 182 ALA A N 787 C CA . ALA A 102 ? 0.1146 0.1047 0.0732 0.0276 -0.0332 -0.0045 182 ALA A CA 788 C C . ALA A 102 ? 0.1190 0.1090 0.0560 0.0054 -0.0042 -0.0119 182 ALA A C 789 O O . ALA A 102 ? 0.1388 0.1055 0.0910 -0.0111 0.0050 0.0080 182 ALA A O 790 C CB . ALA A 102 ? 0.1297 0.1144 0.0727 0.0406 -0.0417 -0.0100 182 ALA A CB 791 N N . CYS A 103 ? 0.1129 0.1288 0.0769 -0.0025 0.0028 -0.0052 183 CYS A N 792 C CA . CYS A 103 ? 0.1087 0.1366 0.0662 -0.0005 0.0024 -0.0239 183 CYS A CA 793 C C . CYS A 103 ? 0.1166 0.1531 0.0845 0.0049 0.0118 -0.0255 183 CYS A C 794 O O . CYS A 103 ? 0.1366 0.1815 0.1382 0.0175 0.0359 -0.0591 183 CYS A O 795 C CB . CYS A 103 ? 0.1190 0.1324 0.0827 0.0063 -0.0146 -0.0060 183 CYS A CB 796 S SG . CYS A 103 ? 0.1827 0.1698 0.1465 0.0079 0.0027 -0.0059 183 CYS A SG 797 N N . HIS A 104 ? 0.0997 0.1470 0.0806 0.0079 -0.0027 -0.0245 184 HIS A N 798 C CA . HIS A 104 ? 0.1235 0.1559 0.0894 0.0221 0.0200 -0.0136 184 HIS A CA 799 C C . HIS A 104 ? 0.1412 0.1666 0.1100 0.0304 -0.0145 -0.0095 184 HIS A C 800 O O . HIS A 104 ? 0.1505 0.1940 0.1320 0.0196 0.0041 -0.0367 184 HIS A O 801 C CB . HIS A 104 ? 0.1181 0.1538 0.1067 0.0210 0.0454 -0.0160 184 HIS A CB 802 C CG . HIS A 104 ? 0.1363 0.1602 0.1377 0.0325 0.0141 -0.0023 184 HIS A CG 803 N ND1 . HIS A 104 ? 0.1367 0.1816 0.1395 0.0387 -0.0180 0.0022 184 HIS A ND1 804 C CD2 . HIS A 104 ? 0.1159 0.1553 0.1556 0.0308 0.0150 -0.0051 184 HIS A CD2 805 C CE1 . HIS A 104 ? 0.1340 0.1735 0.1062 0.0651 -0.0416 -0.0142 184 HIS A CE1 806 N NE2 . HIS A 104 ? 0.1540 0.1628 0.1004 0.0532 -0.0020 -0.0095 184 HIS A NE2 807 N N . ASP A 105 ? 0.1520 0.1675 0.0995 0.0363 -0.0255 -0.0017 185 ASP A N 808 C CA . ASP A 105 ? 0.1527 0.1534 0.1093 0.0253 -0.0336 0.0014 185 ASP A CA 809 C C . ASP A 105 ? 0.1405 0.1466 0.0961 0.0263 0.0002 -0.0232 185 ASP A C 810 O O . ASP A 105 ? 0.1749 0.1419 0.1169 0.0317 -0.0198 -0.0262 185 ASP A O 811 C CB . ASP A 105 ? 0.1534 0.1322 0.1333 0.0166 0.0107 0.0138 185 ASP A CB 812 C CG . ASP A 105 ? 0.1809 0.1270 0.1104 0.0098 0.0029 0.0023 185 ASP A CG 813 O OD1 . ASP A 105 ? 0.2012 0.1486 0.0801 0.0167 0.0097 -0.0143 185 ASP A OD1 814 O OD2 . ASP A 105 ? 0.1766 0.1183 0.1262 0.0051 0.0075 0.0011 185 ASP A OD2 815 N N . GLY A 106 ? 0.1410 0.1518 0.1115 0.0205 0.0103 -0.0224 186 GLY A N 816 C CA . GLY A 106 ? 0.1444 0.1529 0.1027 0.0388 0.0072 -0.0191 186 GLY A CA 817 C C . GLY A 106 ? 0.1693 0.1550 0.1375 0.0452 0.0088 -0.0204 186 GLY A C 818 O O . GLY A 106 ? 0.1803 0.1388 0.1813 0.0380 0.0236 -0.0025 186 GLY A O 819 N N . LYS A 107 ? 0.1722 0.1719 0.1117 0.0473 0.0165 0.0024 187 LYS A N 820 C CA . LYS A 107 ? 0.1819 0.1899 0.0920 0.0518 0.0041 -0.0267 187 LYS A CA 821 C C . LYS A 107 ? 0.1778 0.1948 0.0913 0.0453 0.0062 -0.0195 187 LYS A C 822 O O . LYS A 107 ? 0.1883 0.1900 0.1484 0.0614 0.0155 -0.0526 187 LYS A O 823 C CB . LYS A 107 ? 0.1915 0.2146 0.0639 0.0516 0.0156 -0.0034 187 LYS A CB 824 C CG . LYS A 107 ? 0.2144 0.2407 0.0647 0.0405 0.0275 0.0270 187 LYS A CG 825 C CD . LYS A 107 ? 0.2388 0.2755 0.1023 0.0420 0.0666 0.0272 187 LYS A CD 826 C CE . LYS A 107 ? 0.2694 0.2949 0.1421 0.0375 0.0863 0.0274 187 LYS A CE 827 N NZ . LYS A 107 ? 0.3033 0.3189 0.1824 0.0277 0.0848 0.0168 187 LYS A NZ 828 N N . LYS A 108 ? 0.1721 0.1931 0.0921 0.0278 0.0128 -0.0373 188 LYS A N 829 C CA . LYS A 108 ? 0.1636 0.2036 0.0965 0.0126 0.0328 -0.0093 188 LYS A CA 830 C C . LYS A 108 ? 0.1564 0.1710 0.0774 0.0136 0.0157 -0.0107 188 LYS A C 831 O O . LYS A 108 ? 0.1669 0.1698 0.0957 0.0211 -0.0072 -0.0063 188 LYS A O 832 C CB . LYS A 108 ? 0.1785 0.2424 0.1282 -0.0049 0.0484 0.0050 188 LYS A CB 833 C CG . LYS A 108 ? 0.1958 0.2904 0.1665 -0.0296 0.0884 0.0145 188 LYS A CG 834 C CD . LYS A 108 ? 0.2289 0.3402 0.2721 -0.0276 0.0792 0.0134 188 LYS A CD 835 C CE . LYS A 108 ? 0.2346 0.3675 0.3393 -0.0531 0.0750 0.0386 188 LYS A CE 836 N NZ . LYS A 108 ? 0.2391 0.3911 0.3914 -0.0505 0.0491 0.0339 188 LYS A NZ 837 N N . TRP A 109 ? 0.1520 0.1527 0.0681 -0.0001 0.0145 -0.0013 189 TRP A N 838 C CA . TRP A 109 ? 0.1402 0.1386 0.0823 0.0028 0.0267 0.0160 189 TRP A CA 839 C C . TRP A 109 ? 0.1412 0.1176 0.0769 -0.0076 0.0293 0.0156 189 TRP A C 840 O O . TRP A 109 ? 0.1620 0.1109 0.1116 -0.0066 0.0236 0.0302 189 TRP A O 841 C CB . TRP A 109 ? 0.1303 0.1518 0.0862 0.0007 0.0153 0.0243 189 TRP A CB 842 C CG . TRP A 109 ? 0.1440 0.1695 0.0865 -0.0026 0.0123 0.0096 189 TRP A CG 843 C CD1 . TRP A 109 ? 0.1633 0.1664 0.1297 -0.0153 -0.0123 0.0280 189 TRP A CD1 844 C CD2 . TRP A 109 ? 0.1434 0.1923 0.0673 -0.0078 0.0126 0.0082 189 TRP A CD2 845 N NE1 . TRP A 109 ? 0.1645 0.1747 0.1348 -0.0252 0.0182 0.0275 189 TRP A NE1 846 C CE2 . TRP A 109 ? 0.1596 0.2084 0.0836 -0.0257 0.0125 0.0127 189 TRP A CE2 847 C CE3 . TRP A 109 ? 0.1516 0.2270 0.0894 -0.0047 0.0036 -0.0027 189 TRP A CE3 848 C CZ2 . TRP A 109 ? 0.1581 0.2379 0.0837 -0.0216 0.0093 0.0166 189 TRP A CZ2 849 C CZ3 . TRP A 109 ? 0.1569 0.2395 0.1023 -0.0167 -0.0025 0.0310 189 TRP A CZ3 850 C CH2 . TRP A 109 ? 0.1646 0.2458 0.1135 -0.0255 -0.0189 0.0236 189 TRP A CH2 851 N N . LEU A 110 ? 0.1248 0.0950 0.0961 0.0106 0.0260 -0.0156 190 LEU A N 852 C CA . LEU A 110 ? 0.1111 0.1202 0.0962 0.0034 0.0187 -0.0018 190 LEU A CA 853 C C . LEU A 110 ? 0.1132 0.1481 0.0816 -0.0042 0.0032 -0.0243 190 LEU A C 854 O O . LEU A 110 ? 0.1315 0.1747 0.1159 -0.0099 -0.0064 -0.0354 190 LEU A O 855 C CB . LEU A 110 ? 0.1015 0.1153 0.1355 0.0067 -0.0158 0.0042 190 LEU A CB 856 C CG . LEU A 110 ? 0.1069 0.1276 0.1823 -0.0205 -0.0185 0.0129 190 LEU A CG 857 C CD1 . LEU A 110 ? 0.1225 0.1369 0.2326 -0.0458 -0.0068 0.0046 190 LEU A CD1 858 C CD2 . LEU A 110 ? 0.1266 0.1562 0.2259 -0.0182 -0.0163 0.0028 190 LEU A CD2 859 N N . ALA A 111 ? 0.0992 0.1442 0.0502 0.0013 0.0084 -0.0270 191 ALA A N 860 C CA . ALA A 111 ? 0.1256 0.1415 0.0868 -0.0083 0.0218 -0.0154 191 ALA A CA 861 C C . ALA A 111 ? 0.1456 0.1347 0.1315 -0.0213 0.0250 -0.0242 191 ALA A C 862 O O . ALA A 111 ? 0.1595 0.1541 0.2141 -0.0222 0.0697 -0.0169 191 ALA A O 863 C CB . ALA A 111 ? 0.1531 0.1493 0.0812 -0.0177 0.0034 0.0237 191 ALA A CB 864 N N . VAL A 112 ? 0.1368 0.1268 0.0932 -0.0240 -0.0026 -0.0195 192 VAL A N 865 C CA . VAL A 112 ? 0.1317 0.1227 0.0879 -0.0127 -0.0093 -0.0339 192 VAL A CA 866 C C . VAL A 112 ? 0.1233 0.1228 0.1104 -0.0161 -0.0232 -0.0189 192 VAL A C 867 O O . VAL A 112 ? 0.1360 0.1539 0.1241 -0.0271 0.0236 -0.0323 192 VAL A O 868 C CB . VAL A 112 ? 0.1616 0.1291 0.0649 -0.0051 -0.0228 -0.0522 192 VAL A CB 869 C CG1 . VAL A 112 ? 0.1695 0.1265 0.1155 -0.0011 -0.0151 -0.0568 192 VAL A CG1 870 C CG2 . VAL A 112 ? 0.1635 0.1404 0.0788 -0.0211 -0.0213 -0.0211 192 VAL A CG2 871 N N . GLY A 113 ? 0.1253 0.1070 0.0599 -0.0130 -0.0246 -0.0290 193 GLY A N 872 C CA . GLY A 113 ? 0.1235 0.1109 0.0741 -0.0194 -0.0147 -0.0207 193 GLY A CA 873 C C . GLY A 113 ? 0.1265 0.0919 0.0757 -0.0037 -0.0126 -0.0161 193 GLY A C 874 O O . GLY A 113 ? 0.1597 0.1198 0.0964 -0.0052 -0.0003 -0.0116 193 GLY A O 875 N N . ILE A 114 ? 0.1233 0.0727 0.0791 0.0024 -0.0055 -0.0327 194 ILE A N 876 C CA . ILE A 114 ? 0.0966 0.0838 0.1032 0.0063 -0.0090 -0.0374 194 ILE A CA 877 C C . ILE A 114 ? 0.1016 0.0866 0.1200 0.0216 -0.0067 -0.0250 194 ILE A C 878 O O . ILE A 114 ? 0.1065 0.1082 0.0726 0.0184 0.0073 -0.0086 194 ILE A O 879 C CB . ILE A 114 ? 0.0707 0.0985 0.0953 0.0222 -0.0279 -0.0464 194 ILE A CB 880 C CG1 . ILE A 114 ? 0.0597 0.1480 0.1040 0.0123 -0.0079 -0.0149 194 ILE A CG1 881 C CG2 . ILE A 114 ? 0.0604 0.1048 0.1338 0.0277 -0.0219 -0.0328 194 ILE A CG2 882 C CD1 . ILE A 114 ? 0.0712 0.1681 0.0902 -0.0021 -0.0267 -0.0082 194 ILE A CD1 883 N N . SER A 115 ? 0.0789 0.0981 0.1205 0.0312 -0.0256 -0.0158 195 SER A N 884 C CA . SER A 115 ? 0.0970 0.0879 0.1092 0.0200 -0.0298 -0.0324 195 SER A CA 885 C C . SER A 115 ? 0.1261 0.0904 0.1134 0.0113 -0.0302 -0.0164 195 SER A C 886 O O . SER A 115 ? 0.1426 0.0745 0.1201 -0.0091 -0.0165 -0.0136 195 SER A O 887 C CB . SER A 115 ? 0.1084 0.1146 0.1114 0.0421 -0.0574 -0.0156 195 SER A CB 888 O OG . SER A 115 ? 0.1250 0.1222 0.1072 0.0387 -0.0295 -0.0051 195 SER A OG 889 N N . GLY A 116 ? 0.1163 0.0941 0.1124 -0.0147 -0.0253 -0.0032 196 GLY A N 890 C CA . GLY A 116 ? 0.1156 0.0911 0.1158 0.0052 -0.0165 0.0059 196 GLY A CA 891 C C . GLY A 116 ? 0.1256 0.0868 0.1273 0.0164 -0.0421 -0.0119 196 GLY A C 892 O O . GLY A 116 ? 0.1493 0.0875 0.1553 0.0243 -0.0193 0.0032 196 GLY A O 893 N N . ALA A 117 ? 0.1252 0.1017 0.1523 0.0249 -0.0616 -0.0419 197 ALA A N 894 C CA . ALA A 117 ? 0.1323 0.0969 0.1382 -0.0038 -0.0281 -0.0663 197 ALA A CA 895 C C . ALA A 117 ? 0.1240 0.1094 0.1401 0.0049 0.0038 -0.0338 197 ALA A C 896 O O . ALA A 117 ? 0.1377 0.1265 0.1630 0.0181 0.0054 -0.0337 197 ALA A O 897 C CB . ALA A 117 ? 0.1544 0.0764 0.1503 -0.0169 -0.0374 -0.0780 197 ALA A CB 898 N N . ASP A 118 ? 0.1289 0.1314 0.1516 -0.0104 0.0289 -0.0146 198 ASP A N 899 C CA . ASP A 118 ? 0.1148 0.1445 0.1464 -0.0039 0.0339 -0.0206 198 ASP A CA 900 C C . ASP A 118 ? 0.1196 0.1363 0.1629 0.0097 0.0101 -0.0091 198 ASP A C 901 O O . ASP A 118 ? 0.1099 0.1309 0.1979 0.0422 -0.0162 0.0147 198 ASP A O 902 C CB . ASP A 118 ? 0.1615 0.1707 0.1499 -0.0250 0.0523 -0.0139 198 ASP A CB 903 C CG . ASP A 118 ? 0.1830 0.1851 0.1725 -0.0376 0.0259 -0.0214 198 ASP A CG 904 O OD1 . ASP A 118 ? 0.1804 0.1843 0.2063 -0.0278 0.0138 -0.0311 198 ASP A OD1 905 O OD2 . ASP A 118 ? 0.2184 0.2011 0.1702 -0.0393 0.0017 -0.0213 198 ASP A OD2 906 N N . ASP A 119 ? 0.1330 0.1162 0.1809 0.0059 0.0006 -0.0330 199 ASP A N 907 C CA . ASP A 119 ? 0.1764 0.1322 0.1680 0.0103 -0.0129 -0.0452 199 ASP A CA 908 C C . ASP A 119 ? 0.1736 0.1296 0.2040 0.0059 -0.0034 -0.0364 199 ASP A C 909 O O . ASP A 119 ? 0.1845 0.1283 0.2460 0.0017 -0.0058 -0.0352 199 ASP A O 910 C CB . ASP A 119 ? 0.2169 0.1353 0.1732 0.0109 -0.0358 -0.0718 199 ASP A CB 911 C CG . ASP A 119 ? 0.2728 0.1707 0.2519 -0.0058 -0.0505 -0.1083 199 ASP A CG 912 O OD1 . ASP A 119 ? 0.2555 0.1895 0.2820 -0.0073 -0.0691 -0.0597 199 ASP A OD1 913 O OD2 . ASP A 119 ? 0.3111 0.2040 0.3148 -0.0117 -0.0531 -0.1243 199 ASP A OD2 914 N N . ASP A 120 ? 0.1727 0.1310 0.1718 -0.0017 -0.0181 -0.0136 200 ASP A N 915 C CA . ASP A 120 ? 0.1612 0.1227 0.2074 -0.0047 0.0087 -0.0236 200 ASP A CA 916 C C . ASP A 120 ? 0.1503 0.1062 0.1852 -0.0009 -0.0106 -0.0187 200 ASP A C 917 O O . ASP A 120 ? 0.1376 0.1059 0.2026 0.0013 -0.0117 -0.0175 200 ASP A O 918 C CB . ASP A 120 ? 0.1997 0.1518 0.2697 -0.0283 0.0229 -0.0110 200 ASP A CB 919 C CG . ASP A 120 ? 0.2362 0.1789 0.3567 -0.0299 0.0545 -0.0204 200 ASP A CG 920 O OD1 . ASP A 120 ? 0.2548 0.1904 0.3522 -0.0041 0.0934 -0.0179 200 ASP A OD1 921 O OD2 . ASP A 120 ? 0.2851 0.1997 0.4274 -0.0208 0.0776 -0.0087 200 ASP A OD2 922 N N . ALA A 121 ? 0.1306 0.0751 0.1414 0.0057 -0.0174 -0.0160 201 ALA A N 923 C CA . ALA A 121 ? 0.1110 0.0755 0.1502 0.0038 0.0169 -0.0217 201 ALA A CA 924 C C . ALA A 121 ? 0.1043 0.0922 0.1263 0.0160 -0.0035 -0.0175 201 ALA A C 925 O O . ALA A 121 ? 0.1152 0.1009 0.1370 0.0271 -0.0109 0.0100 201 ALA A O 926 C CB . ALA A 121 ? 0.1030 0.0649 0.1840 0.0094 0.0092 -0.0118 201 ALA A CB 927 N N . TYR A 122 ? 0.0985 0.1202 0.0893 -0.0007 0.0017 -0.0339 202 TYR A N 928 C CA . TYR A 122 ? 0.0755 0.1098 0.1123 0.0006 0.0142 -0.0333 202 TYR A CA 929 C C . TYR A 122 ? 0.0813 0.1084 0.1317 -0.0016 -0.0158 -0.0235 202 TYR A C 930 O O . TYR A 122 ? 0.0846 0.1038 0.1162 0.0117 0.0026 0.0090 202 TYR A O 931 C CB . TYR A 122 ? 0.0505 0.1040 0.1194 0.0045 -0.0029 -0.0065 202 TYR A CB 932 C CG . TYR A 122 ? 0.0650 0.1318 0.1343 0.0039 0.0142 -0.0058 202 TYR A CG 933 C CD1 . TYR A 122 ? 0.0798 0.1375 0.1549 0.0196 -0.0010 -0.0170 202 TYR A CD1 934 C CD2 . TYR A 122 ? 0.0562 0.1394 0.1412 0.0023 -0.0072 0.0183 202 TYR A CD2 935 C CE1 . TYR A 122 ? 0.0755 0.1310 0.1492 0.0065 -0.0082 -0.0037 202 TYR A CE1 936 C CE2 . TYR A 122 ? 0.0846 0.1369 0.1584 0.0126 0.0193 0.0056 202 TYR A CE2 937 C CZ . TYR A 122 ? 0.0830 0.1253 0.1671 0.0147 -0.0081 0.0182 202 TYR A CZ 938 O OH . TYR A 122 ? 0.0880 0.1153 0.1549 0.0371 -0.0114 0.0030 202 TYR A OH 939 N N . ALA A 123 ? 0.0939 0.1209 0.1101 -0.0100 -0.0221 -0.0300 203 ALA A N 940 C CA . ALA A 123 ? 0.0751 0.1184 0.1529 -0.0016 -0.0076 0.0054 203 ALA A CA 941 C C . ALA A 123 ? 0.1123 0.1326 0.1348 0.0153 0.0157 0.0216 203 ALA A C 942 O O . ALA A 123 ? 0.1318 0.1276 0.1163 0.0205 0.0162 0.0442 203 ALA A O 943 C CB . ALA A 123 ? 0.0838 0.1400 0.1518 -0.0084 -0.0334 0.0192 203 ALA A CB 944 N N . VAL A 124 ? 0.0942 0.1274 0.1300 0.0216 0.0007 -0.0165 204 VAL A N 945 C CA . VAL A 124 ? 0.0935 0.1380 0.1085 0.0062 -0.0261 -0.0225 204 VAL A CA 946 C C . VAL A 124 ? 0.1115 0.1379 0.1299 0.0041 -0.0051 -0.0118 204 VAL A C 947 O O . VAL A 124 ? 0.1112 0.1616 0.1597 0.0006 0.0026 -0.0203 204 VAL A O 948 C CB . VAL A 124 ? 0.1030 0.1373 0.0975 0.0214 -0.0169 -0.0319 204 VAL A CB 949 C CG1 . VAL A 124 ? 0.1121 0.1584 0.0935 0.0429 -0.0113 -0.0161 204 VAL A CG1 950 C CG2 . VAL A 124 ? 0.1446 0.1320 0.1159 0.0084 -0.0226 -0.0371 204 VAL A CG2 951 N N . ILE A 125 ? 0.1061 0.1317 0.0903 -0.0022 0.0144 -0.0258 205 ILE A N 952 C CA . ILE A 125 ? 0.1239 0.1457 0.0862 0.0023 0.0067 0.0100 205 ILE A CA 953 C C . ILE A 125 ? 0.1416 0.1316 0.0979 0.0034 0.0275 0.0075 205 ILE A C 954 O O . ILE A 125 ? 0.1718 0.1232 0.1461 -0.0127 0.0281 -0.0118 205 ILE A O 955 C CB . ILE A 125 ? 0.1208 0.1773 0.1181 0.0135 -0.0221 0.0058 205 ILE A CB 956 C CG1 . ILE A 125 ? 0.1344 0.1982 0.1530 0.0579 -0.0468 0.0642 205 ILE A CG1 957 C CG2 . ILE A 125 ? 0.1158 0.1853 0.1071 -0.0119 -0.0130 -0.0291 205 ILE A CG2 958 C CD1 . ILE A 125 ? 0.1666 0.2159 0.1843 0.0726 -0.0305 0.0626 205 ILE A CD1 959 N N . HIS A 126 ? 0.1461 0.1317 0.0763 0.0175 0.0103 0.0084 206 HIS A N 960 C CA . HIS A 126 ? 0.1398 0.1320 0.0571 0.0087 0.0214 -0.0065 206 HIS A CA 961 C C . HIS A 126 ? 0.1268 0.1453 0.0880 -0.0083 0.0152 -0.0255 206 HIS A C 962 O O . HIS A 126 ? 0.1380 0.1699 0.1443 -0.0242 0.0162 -0.0294 206 HIS A O 963 C CB . HIS A 126 ? 0.1487 0.1365 0.0659 -0.0104 0.0025 0.0131 206 HIS A CB 964 C CG . HIS A 126 ? 0.1592 0.1297 0.0722 -0.0092 0.0236 -0.0178 206 HIS A CG 965 N ND1 . HIS A 126 ? 0.1993 0.1388 0.1175 -0.0285 -0.0220 -0.0198 206 HIS A ND1 966 C CD2 . HIS A 126 ? 0.1456 0.1195 0.0722 -0.0442 -0.0192 -0.0322 206 HIS A CD2 967 C CE1 . HIS A 126 ? 0.1562 0.1157 0.0803 -0.0412 -0.0348 -0.0072 206 HIS A CE1 968 N NE2 . HIS A 126 ? 0.2014 0.1379 0.1121 -0.0542 -0.0391 0.0014 206 HIS A NE2 969 N N . TYR A 127 ? 0.1230 0.1534 0.0654 -0.0169 0.0045 -0.0224 207 TYR A N 970 C CA . TYR A 127 ? 0.0991 0.1638 0.0508 0.0128 -0.0222 -0.0025 207 TYR A CA 971 C C . TYR A 127 ? 0.1202 0.1899 0.1278 0.0141 -0.0030 -0.0267 207 TYR A C 972 O O . TYR A 127 ? 0.1066 0.2098 0.1493 0.0175 0.0084 -0.0437 207 TYR A O 973 C CB . TYR A 127 ? 0.1181 0.1474 0.1127 0.0153 -0.0389 0.0012 207 TYR A CB 974 C CG . TYR A 127 ? 0.1113 0.1560 0.0944 0.0323 -0.0468 -0.0134 207 TYR A CG 975 C CD1 . TYR A 127 ? 0.1254 0.1483 0.1382 0.0207 -0.0792 -0.0402 207 TYR A CD1 976 C CD2 . TYR A 127 ? 0.1249 0.1700 0.0774 0.0237 -0.0016 0.0028 207 TYR A CD2 977 C CE1 . TYR A 127 ? 0.1361 0.1708 0.1237 0.0253 -0.0529 -0.0190 207 TYR A CE1 978 C CE2 . TYR A 127 ? 0.1296 0.1752 0.0831 0.0058 -0.0037 -0.0197 207 TYR A CE2 979 C CZ . TYR A 127 ? 0.1405 0.1755 0.0896 0.0199 -0.0132 -0.0195 207 TYR A CZ 980 O OH . TYR A 127 ? 0.1743 0.1823 0.1287 0.0198 0.0053 -0.0169 207 TYR A OH 981 N N . GLY A 128 ? 0.1248 0.2098 0.1590 0.0370 -0.0180 -0.0107 208 GLY A N 982 C CA . GLY A 128 ? 0.1028 0.2242 0.1703 0.0514 -0.0285 -0.0059 208 GLY A CA 983 C C . GLY A 128 ? 0.1303 0.2469 0.1967 0.0316 -0.0209 -0.0012 208 GLY A C 984 O O . GLY A 128 ? 0.1433 0.2724 0.2343 0.0195 0.0089 0.0022 208 GLY A O 985 N N . GLY A 129 ? 0.1588 0.2541 0.2349 0.0233 -0.0436 -0.0064 209 GLY A N 986 C CA . GLY A 129 ? 0.1886 0.2771 0.2758 0.0105 -0.0557 0.0026 209 GLY A CA 987 C C . GLY A 129 ? 0.2088 0.3156 0.3090 0.0115 -0.0361 -0.0070 209 GLY A C 988 O O . GLY A 129 ? 0.2352 0.3513 0.3330 -0.0044 -0.0569 -0.0148 209 GLY A O 989 N N . MET A 130 ? 0.2042 0.2965 0.2930 0.0126 0.0309 -0.0064 210 MET A N 990 C CA . MET A 130 ? 0.2158 0.3091 0.3450 0.0025 0.0447 -0.0030 210 MET A CA 991 C C . MET A 130 ? 0.1639 0.2430 0.2274 0.0012 0.0233 -0.0041 210 MET A C 992 O O . MET A 130 ? 0.1460 0.2123 0.1557 -0.0039 0.0018 -0.0218 210 MET A O 993 C CB . MET A 130 ? 0.2621 0.3708 0.4668 -0.0070 0.0422 0.0108 210 MET A CB 994 C CG . MET A 130 ? 0.3056 0.4328 0.5863 0.0042 -0.0076 0.0405 210 MET A CG 995 S SD . MET A 130 ? 0.3408 0.4849 0.7046 0.0187 -0.0343 0.0745 210 MET A SD 996 C CE . MET A 130 ? 0.3548 0.4812 0.7076 0.0149 -0.0341 0.0851 210 MET A CE 997 N N . PRO A 131 ? 0.1368 0.2335 0.1997 -0.0230 -0.0323 -0.0118 211 PRO A N 998 C CA . PRO A 131 ? 0.1396 0.2301 0.1694 -0.0270 -0.0353 0.0083 211 PRO A CA 999 C C . PRO A 131 ? 0.1499 0.2398 0.1917 -0.0344 -0.0001 0.0354 211 PRO A C 1000 O O . PRO A 131 ? 0.1705 0.3080 0.2611 -0.0488 -0.0070 0.0645 211 PRO A O 1001 C CB . PRO A 131 ? 0.1359 0.2242 0.2102 -0.0406 -0.0321 -0.0433 211 PRO A CB 1002 C CG . PRO A 131 ? 0.1493 0.2292 0.2487 -0.0386 -0.0372 -0.0608 211 PRO A CG 1003 C CD . PRO A 131 ? 0.1459 0.2290 0.2687 -0.0313 -0.0435 -0.0392 211 PRO A CD 1004 N N . THR A 132 ? 0.1383 0.1849 0.1210 -0.0060 0.0051 0.0119 212 THR A N 1005 C CA . THR A 132 ? 0.1416 0.1693 0.1191 -0.0006 0.0253 -0.0048 212 THR A CA 1006 C C . THR A 132 ? 0.1485 0.1566 0.1333 0.0135 0.0438 0.0173 212 THR A C 1007 O O . THR A 132 ? 0.1785 0.1700 0.1873 0.0136 0.0458 0.0369 212 THR A O 1008 C CB . THR A 132 ? 0.1513 0.1842 0.1575 0.0046 0.0257 -0.0050 212 THR A CB 1009 O OG1 . THR A 132 ? 0.1583 0.2071 0.1471 0.0086 -0.0034 0.0230 212 THR A OG1 1010 C CG2 . THR A 132 ? 0.1683 0.1848 0.1814 0.0057 0.0335 0.0323 212 THR A CG2 1011 N N . ASP A 133 ? 0.1302 0.1495 0.1319 0.0031 0.0156 0.0071 213 ASP A N 1012 C CA . ASP A 133 ? 0.1279 0.1508 0.0905 0.0165 0.0088 -0.0134 213 ASP A CA 1013 C C . ASP A 133 ? 0.1279 0.1517 0.1213 -0.0008 0.0220 -0.0062 213 ASP A C 1014 O O . ASP A 133 ? 0.1358 0.1469 0.1212 -0.0083 0.0092 -0.0065 213 ASP A O 1015 C CB . ASP A 133 ? 0.1294 0.1675 0.1245 0.0052 -0.0442 -0.0050 213 ASP A CB 1016 C CG . ASP A 133 ? 0.1452 0.1953 0.1491 -0.0114 -0.0588 -0.0079 213 ASP A CG 1017 O OD1 . ASP A 133 ? 0.1611 0.2025 0.1843 0.0018 -0.0412 -0.0084 213 ASP A OD1 1018 O OD2 . ASP A 133 ? 0.1667 0.1985 0.1900 -0.0101 -0.0745 -0.0105 213 ASP A OD2 1019 N N . VAL A 134 ? 0.1256 0.1472 0.1253 0.0014 0.0184 0.0009 214 VAL A N 1020 C CA . VAL A 134 ? 0.1309 0.1526 0.1182 0.0241 -0.0145 0.0140 214 VAL A CA 1021 C C . VAL A 134 ? 0.1235 0.1578 0.1201 0.0516 -0.0084 0.0183 214 VAL A C 1022 O O . VAL A 134 ? 0.1462 0.2025 0.1853 0.0729 -0.0052 0.0332 214 VAL A O 1023 C CB . VAL A 134 ? 0.1396 0.1604 0.1606 0.0068 -0.0639 0.0586 214 VAL A CB 1024 C CG1 . VAL A 134 ? 0.1273 0.1622 0.2164 0.0061 -0.0439 0.0472 214 VAL A CG1 1025 C CG2 . VAL A 134 ? 0.1829 0.1800 0.2145 0.0046 -0.0648 0.0271 214 VAL A CG2 1026 N N . VAL A 135 ? 0.1190 0.1439 0.1038 0.0323 0.0055 0.0038 215 VAL A N 1027 C CA . VAL A 135 ? 0.1059 0.1456 0.1201 0.0383 0.0172 -0.0516 215 VAL A CA 1028 C C . VAL A 135 ? 0.1162 0.1326 0.1430 0.0252 0.0128 -0.0184 215 VAL A C 1029 O O . VAL A 135 ? 0.1444 0.1403 0.1577 0.0358 -0.0186 -0.0090 215 VAL A O 1030 C CB . VAL A 135 ? 0.1060 0.1779 0.1440 0.0313 0.0041 -0.0747 215 VAL A CB 1031 C CG1 . VAL A 135 ? 0.1133 0.2076 0.1589 0.0273 0.0084 -0.0554 215 VAL A CG1 1032 C CG2 . VAL A 135 ? 0.1232 0.2105 0.1807 0.0051 -0.0531 -0.0934 215 VAL A CG2 1033 N N . ARG A 136 ? 0.1131 0.1115 0.1724 0.0335 0.0369 -0.0091 216 ARG A N 1034 C CA . ARG A 136 ? 0.1191 0.1329 0.1978 0.0101 0.0434 -0.0273 216 ARG A CA 1035 C C . ARG A 136 ? 0.1206 0.1506 0.1848 0.0112 0.0238 -0.0132 216 ARG A C 1036 O O . ARG A 136 ? 0.1243 0.1815 0.1777 0.0322 -0.0039 -0.0325 216 ARG A O 1037 C CB . ARG A 136 ? 0.1547 0.1482 0.2597 -0.0019 0.0576 -0.0359 216 ARG A CB 1038 C CG . ARG A 136 ? 0.1985 0.1972 0.3312 -0.0155 0.0339 -0.0228 216 ARG A CG 1039 C CD . ARG A 136 ? 0.2441 0.2292 0.3691 -0.0204 0.0075 -0.0253 216 ARG A CD 1040 N NE . ARG A 136 ? 0.2843 0.2541 0.3641 -0.0256 0.0149 -0.0076 216 ARG A NE 1041 C CZ . ARG A 136 ? 0.3407 0.2921 0.4114 -0.0339 0.0414 0.0116 216 ARG A CZ 1042 N NH1 . ARG A 136 ? 0.3581 0.2972 0.4243 -0.0566 0.0669 0.0443 216 ARG A NH1 1043 N NH2 . ARG A 136 ? 0.3650 0.3084 0.4272 -0.0330 0.0316 -0.0051 216 ARG A NH2 1044 N N . SER A 137 ? 0.1237 0.1437 0.1489 0.0163 0.0397 0.0143 217 SER A N 1045 C CA . SER A 137 ? 0.1195 0.1298 0.1353 0.0282 0.0085 0.0104 217 SER A CA 1046 C C . SER A 137 ? 0.1323 0.1310 0.1946 0.0002 -0.0198 0.0298 217 SER A C 1047 O O . SER A 137 ? 0.1697 0.1505 0.2496 0.0022 -0.0350 0.0338 217 SER A O 1048 C CB . SER A 137 ? 0.1216 0.1380 0.1043 0.0319 -0.0033 -0.0302 217 SER A CB 1049 O OG . SER A 137 ? 0.1248 0.1512 0.1164 0.0245 0.0088 -0.0500 217 SER A OG 1050 N N . TRP A 138 ? 0.1250 0.1163 0.1705 0.0142 -0.0388 0.0265 218 TRP A N 1051 C CA . TRP A 138 ? 0.1373 0.1297 0.1497 0.0144 -0.0196 0.0150 218 TRP A CA 1052 C C . TRP A 138 ? 0.1703 0.1360 0.1844 0.0173 -0.0252 0.0118 218 TRP A C 1053 O O . TRP A 138 ? 0.1663 0.1333 0.2083 0.0349 -0.0164 0.0133 218 TRP A O 1054 C CB . TRP A 138 ? 0.1401 0.1358 0.1599 0.0213 -0.0066 0.0226 218 TRP A CB 1055 C CG . TRP A 138 ? 0.1565 0.1517 0.1592 0.0190 0.0126 0.0283 218 TRP A CG 1056 C CD1 . TRP A 138 ? 0.1500 0.1498 0.1594 0.0131 0.0119 0.0467 218 TRP A CD1 1057 C CD2 . TRP A 138 ? 0.1665 0.1487 0.1616 0.0326 0.0083 0.0273 218 TRP A CD2 1058 N NE1 . TRP A 138 ? 0.1726 0.1297 0.1850 -0.0009 0.0351 0.0300 218 TRP A NE1 1059 C CE2 . TRP A 138 ? 0.1727 0.1479 0.1699 0.0191 0.0182 0.0301 218 TRP A CE2 1060 C CE3 . TRP A 138 ? 0.1854 0.1445 0.1611 0.0257 -0.0132 0.0283 218 TRP A CE3 1061 C CZ2 . TRP A 138 ? 0.1868 0.1621 0.1409 0.0201 -0.0081 0.0202 218 TRP A CZ2 1062 C CZ3 . TRP A 138 ? 0.1658 0.1591 0.1786 0.0178 -0.0139 0.0196 218 TRP A CZ3 1063 C CH2 . TRP A 138 ? 0.1797 0.1606 0.1614 0.0300 -0.0079 0.0200 218 TRP A CH2 1064 N N . ARG A 139 ? 0.1742 0.1269 0.1610 0.0076 -0.0101 -0.0049 219 ARG A N 1065 C CA . ARG A 139 ? 0.1650 0.1173 0.1914 0.0136 -0.0223 -0.0173 219 ARG A CA 1066 C C . ARG A 139 ? 0.1555 0.1230 0.1930 0.0199 -0.0101 -0.0213 219 ARG A C 1067 O O . ARG A 139 ? 0.1620 0.1515 0.2186 0.0319 -0.0270 -0.0435 219 ARG A O 1068 C CB . ARG A 139 ? 0.1808 0.1361 0.2261 0.0170 -0.0369 0.0062 219 ARG A CB 1069 C CG . ARG A 139 ? 0.2104 0.1589 0.2453 0.0087 -0.0676 0.0083 219 ARG A CG 1070 C CD . ARG A 139 ? 0.2450 0.1937 0.2993 -0.0130 -0.1026 0.0601 219 ARG A CD 1071 N NE . ARG A 139 ? 0.2983 0.2476 0.4067 -0.0044 -0.0785 0.0280 219 ARG A NE 1072 C CZ . ARG A 139 ? 0.3547 0.2850 0.4553 -0.0092 -0.0756 0.0197 219 ARG A CZ 1073 N NH1 . ARG A 139 ? 0.3805 0.2934 0.4737 -0.0115 -0.0611 -0.0091 219 ARG A NH1 1074 N NH2 . ARG A 139 ? 0.3673 0.2973 0.4463 -0.0017 -0.0904 0.0316 219 ARG A NH2 1075 N N . LYS A 140 ? 0.1227 0.1201 0.1957 -0.0089 -0.0145 -0.0082 220 LYS A N 1076 C CA . LYS A 140 ? 0.1475 0.1162 0.1682 -0.0047 -0.0097 -0.0282 220 LYS A CA 1077 C C . LYS A 140 ? 0.1521 0.1017 0.2051 0.0057 -0.0256 -0.0388 220 LYS A C 1078 O O . LYS A 140 ? 0.1529 0.1044 0.2007 0.0061 -0.0177 -0.0171 220 LYS A O 1079 C CB . LYS A 140 ? 0.1684 0.1424 0.2005 0.0197 -0.0143 -0.0261 220 LYS A CB 1080 C CG . LYS A 140 ? 0.1895 0.1531 0.2373 0.0252 -0.0093 -0.0241 220 LYS A CG 1081 C CD . LYS A 140 ? 0.2122 0.1818 0.2265 -0.0039 0.0080 -0.0384 220 LYS A CD 1082 C CE . LYS A 140 ? 0.2210 0.1899 0.2634 -0.0119 0.0410 -0.0398 220 LYS A CE 1083 N NZ . LYS A 140 ? 0.2391 0.2036 0.3016 -0.0204 0.0273 -0.0134 220 LYS A NZ 1084 N N . GLN A 141 ? 0.1386 0.0989 0.2022 0.0032 -0.0069 -0.0522 221 GLN A N 1085 C CA . GLN A 141 ? 0.1535 0.1209 0.1585 -0.0033 0.0171 -0.0339 221 GLN A CA 1086 C C . GLN A 141 ? 0.1492 0.1147 0.1476 0.0072 0.0077 -0.0252 221 GLN A C 1087 O O . GLN A 141 ? 0.1434 0.1263 0.1671 0.0027 0.0028 -0.0274 221 GLN A O 1088 C CB . GLN A 141 ? 0.1812 0.1630 0.1863 0.0087 0.0458 -0.0502 221 GLN A CB 1089 C CG . GLN A 141 ? 0.2102 0.2053 0.2400 0.0290 0.0598 -0.0583 221 GLN A CG 1090 C CD . GLN A 141 ? 0.2370 0.2460 0.2812 0.0367 0.0552 -0.0553 221 GLN A CD 1091 O OE1 . GLN A 141 ? 0.2348 0.2710 0.2634 0.0294 0.0238 -0.0440 221 GLN A OE1 1092 N NE2 . GLN A 141 ? 0.2610 0.2616 0.3090 0.0280 0.0186 -0.0455 221 GLN A NE2 1093 N N . ILE A 142 ? 0.1384 0.0988 0.1290 0.0344 0.0019 -0.0242 222 ILE A N 1094 C CA . ILE A 142 ? 0.1309 0.0783 0.1076 0.0184 0.0225 -0.0238 222 ILE A CA 1095 C C . ILE A 142 ? 0.1190 0.0999 0.0963 0.0100 0.0316 -0.0093 222 ILE A C 1096 O O . ILE A 142 ? 0.1085 0.1301 0.0997 0.0142 0.0192 -0.0268 222 ILE A O 1097 C CB . ILE A 142 ? 0.1244 0.0869 0.1227 0.0498 0.0082 -0.0205 222 ILE A CB 1098 C CG1 . ILE A 142 ? 0.1502 0.1380 0.1212 0.0207 0.0504 -0.0020 222 ILE A CG1 1099 C CG2 . ILE A 142 ? 0.1393 0.1032 0.1622 0.0364 -0.0240 0.0085 222 ILE A CG2 1100 C CD1 . ILE A 142 ? 0.1522 0.1495 0.1127 0.0064 0.0603 0.0115 222 ILE A CD1 1101 N N . LEU A 143 ? 0.1288 0.0975 0.0862 0.0103 0.0059 -0.0066 223 LEU A N 1102 C CA . LEU A 143 ? 0.1200 0.0949 0.0914 0.0126 0.0001 0.0033 223 LEU A CA 1103 C C . LEU A 143 ? 0.0968 0.0900 0.1260 0.0092 -0.0220 0.0040 223 LEU A C 1104 O O . LEU A 143 ? 0.0913 0.0992 0.1156 0.0142 -0.0369 -0.0178 223 LEU A O 1105 C CB . LEU A 143 ? 0.1110 0.1073 0.0947 0.0176 0.0090 0.0270 223 LEU A CB 1106 C CG . LEU A 143 ? 0.1275 0.1131 0.0928 0.0170 -0.0100 0.0237 223 LEU A CG 1107 C CD1 . LEU A 143 ? 0.1328 0.1158 0.1024 0.0236 -0.0022 0.0350 223 LEU A CD1 1108 C CD2 . LEU A 143 ? 0.1358 0.1064 0.1450 -0.0028 0.0150 0.0199 223 LEU A CD2 1109 N N . ARG A 144 ? 0.1082 0.0796 0.1178 0.0040 0.0136 -0.0184 224 ARG A N 1110 C CA . ARG A 144 ? 0.0973 0.0952 0.0792 -0.0046 0.0241 -0.0277 224 ARG A CA 1111 C C . ARG A 144 ? 0.1003 0.0804 0.1188 0.0158 -0.0182 -0.0352 224 ARG A C 1112 O O . ARG A 144 ? 0.1047 0.0823 0.1543 0.0249 -0.0330 -0.0272 224 ARG A O 1113 C CB . ARG A 144 ? 0.0988 0.1177 0.0673 -0.0014 0.0431 -0.0079 224 ARG A CB 1114 C CG . ARG A 144 ? 0.1040 0.1108 0.1048 0.0027 0.0356 -0.0246 224 ARG A CG 1115 C CD . ARG A 144 ? 0.1212 0.1002 0.0924 0.0244 0.0513 -0.0422 224 ARG A CD 1116 N NE . ARG A 144 ? 0.1352 0.1113 0.1053 0.0317 0.0527 -0.0111 224 ARG A NE 1117 C CZ . ARG A 144 ? 0.1452 0.1198 0.1354 0.0233 0.0275 0.0013 224 ARG A CZ 1118 N NH1 . ARG A 144 ? 0.1572 0.1163 0.1693 0.0159 0.0379 -0.0017 224 ARG A NH1 1119 N NH2 . ARG A 144 ? 0.1397 0.1106 0.1479 0.0165 0.0283 0.0096 224 ARG A NH2 1120 N N . THR A 145 ? 0.0980 0.0758 0.0867 0.0019 -0.0065 -0.0554 225 THR A N 1121 C CA . THR A 145 ? 0.1075 0.0889 0.0993 0.0073 0.0081 -0.0401 225 THR A CA 1122 C C . THR A 145 ? 0.1166 0.1018 0.0867 0.0019 0.0069 -0.0201 225 THR A C 1123 O O . THR A 145 ? 0.1216 0.1206 0.0617 0.0078 -0.0019 -0.0232 225 THR A O 1124 C CB . THR A 145 ? 0.1171 0.1014 0.1064 0.0201 -0.0049 -0.0076 225 THR A CB 1125 O OG1 . THR A 145 ? 0.1406 0.0949 0.1003 0.0017 -0.0022 -0.0377 225 THR A OG1 1126 C CG2 . THR A 145 ? 0.0980 0.0836 0.1404 0.0460 -0.0054 -0.0044 225 THR A CG2 1127 N N . GLN A 146 ? 0.1013 0.0620 0.1131 -0.0108 -0.0262 -0.0051 226 GLN A N 1128 C CA . GLN A 146 ? 0.1099 0.0820 0.0899 -0.0231 -0.0091 -0.0082 226 GLN A CA 1129 C C . GLN A 146 ? 0.1120 0.0822 0.0803 0.0002 -0.0132 0.0046 226 GLN A C 1130 O O . GLN A 146 ? 0.1223 0.1003 0.0871 0.0114 -0.0079 0.0066 226 GLN A O 1131 C CB . GLN A 146 ? 0.1056 0.0939 0.0833 -0.0103 -0.0019 -0.0139 226 GLN A CB 1132 C CG . GLN A 146 ? 0.1109 0.0904 0.0372 0.0205 -0.0127 0.0163 226 GLN A CG 1133 C CD . GLN A 146 ? 0.1384 0.1123 0.0954 0.0101 -0.0211 0.0194 226 GLN A CD 1134 O OE1 . GLN A 146 ? 0.1575 0.1439 0.1288 0.0189 -0.0013 0.0075 226 GLN A OE1 1135 N NE2 . GLN A 146 ? 0.1566 0.1413 0.1267 -0.0093 -0.0298 0.0144 226 GLN A NE2 1136 N N . GLU A 147 ? 0.1084 0.0882 0.0884 0.0151 -0.0181 -0.0199 227 GLU A N 1137 C CA . GLU A 147 ? 0.1313 0.1013 0.0809 0.0233 0.0176 -0.0167 227 GLU A CA 1138 C C . GLU A 147 ? 0.1283 0.0857 0.0886 0.0090 0.0124 -0.0282 227 GLU A C 1139 O O . GLU A 147 ? 0.1205 0.0710 0.1151 -0.0060 0.0019 -0.0131 227 GLU A O 1140 C CB . GLU A 147 ? 0.1423 0.1223 0.0535 0.0299 0.0161 -0.0158 227 GLU A CB 1141 C CG . GLU A 147 ? 0.1516 0.1507 0.1044 0.0109 0.0017 -0.0283 227 GLU A CG 1142 C CD . GLU A 147 ? 0.1647 0.1651 0.1399 0.0122 -0.0004 -0.0260 227 GLU A CD 1143 O OE1 . GLU A 147 ? 0.1629 0.1462 0.1386 0.0227 -0.0044 -0.0269 227 GLU A OE1 1144 O OE2 . GLU A 147 ? 0.1670 0.1886 0.1443 -0.0044 -0.0020 -0.0464 227 GLU A OE2 1145 N N . SER A 148 ? 0.1282 0.0910 0.0832 0.0090 -0.0040 -0.0382 228 SER A N 1146 C CA . SER A 148 ? 0.1089 0.1050 0.0904 0.0045 -0.0048 -0.0346 228 SER A CA 1147 C C . SER A 148 ? 0.1053 0.1165 0.0990 -0.0044 -0.0084 -0.0476 228 SER A C 1148 O O . SER A 148 ? 0.1194 0.1453 0.1132 -0.0426 0.0230 -0.0240 228 SER A O 1149 C CB . SER A 148 ? 0.1160 0.1091 0.1075 0.0296 -0.0042 -0.0139 228 SER A CB 1150 O OG . SER A 148 ? 0.1219 0.1315 0.1159 0.0462 -0.0102 -0.0146 228 SER A OG 1151 N N A SER A 149 ? 0.0837 0.0946 0.0758 0.0025 -0.0175 -0.0358 229 SER A N 1152 N N B SER A 149 ? 0.0976 0.1047 0.0900 0.0116 -0.0094 -0.0352 229 SER A N 1153 C CA A SER A 149 ? 0.0927 0.0882 0.0587 -0.0006 -0.0007 -0.0182 229 SER A CA 1154 C CA B SER A 149 ? 0.1177 0.1075 0.0863 0.0174 0.0137 -0.0179 229 SER A CA 1155 C C A SER A 149 ? 0.1144 0.0999 0.0818 -0.0013 0.0090 -0.0134 229 SER A C 1156 C C B SER A 149 ? 0.1256 0.1058 0.1002 0.0078 0.0172 -0.0105 229 SER A C 1157 O O A SER A 149 ? 0.1218 0.1000 0.0902 -0.0102 0.0096 -0.0015 229 SER A O 1158 O O B SER A 149 ? 0.1340 0.0995 0.1186 0.0023 0.0221 0.0063 229 SER A O 1159 C CB A SER A 149 ? 0.0699 0.0758 0.0601 -0.0174 0.0185 -0.0244 229 SER A CB 1160 C CB B SER A 149 ? 0.1219 0.1178 0.1013 0.0210 0.0389 -0.0252 229 SER A CB 1161 O OG A SER A 149 ? 0.0424 0.0682 0.0801 -0.0273 0.0516 -0.0215 229 SER A OG 1162 O OG B SER A 149 ? 0.1193 0.1313 0.1412 0.0326 0.0848 -0.0270 229 SER A OG 1163 N N . CYS A 150 ? 0.1207 0.1138 0.0855 -0.0078 0.0003 -0.0157 230 CYS A N 1164 C CA . CYS A 150 ? 0.1323 0.1102 0.0938 0.0049 -0.0221 0.0222 230 CYS A CA 1165 C C . CYS A 150 ? 0.1148 0.1119 0.0874 0.0100 -0.0106 0.0007 230 CYS A C 1166 O O . CYS A 150 ? 0.1132 0.1217 0.1179 0.0051 0.0044 -0.0060 230 CYS A O 1167 C CB . CYS A 150 ? 0.1372 0.1371 0.1136 0.0140 0.0009 0.0067 230 CYS A CB 1168 S SG . CYS A 150 ? 0.1582 0.1577 0.1296 0.0021 -0.0037 0.0034 230 CYS A SG 1169 N N . VAL A 151 ? 0.1239 0.1173 0.0568 -0.0048 -0.0276 -0.0013 231 VAL A N 1170 C CA . VAL A 151 ? 0.1257 0.1301 0.0721 0.0089 -0.0194 -0.0121 231 VAL A CA 1171 C C . VAL A 151 ? 0.1355 0.1438 0.0733 0.0151 -0.0055 -0.0149 231 VAL A C 1172 O O . VAL A 151 ? 0.1457 0.1583 0.1015 0.0137 -0.0108 0.0013 231 VAL A O 1173 C CB . VAL A 151 ? 0.1394 0.1347 0.1032 0.0027 -0.0172 -0.0122 231 VAL A CB 1174 C CG1 . VAL A 151 ? 0.1480 0.1234 0.1401 0.0063 -0.0215 -0.0297 231 VAL A CG1 1175 C CG2 . VAL A 151 ? 0.1193 0.1427 0.1625 -0.0005 0.0108 0.0008 231 VAL A CG2 1176 N N . CYS A 152 ? 0.1294 0.1499 0.0899 0.0353 0.0016 -0.0220 232 CYS A N 1177 C CA . CYS A 152 ? 0.1410 0.1666 0.0804 0.0254 -0.0152 -0.0448 232 CYS A CA 1178 C C . CYS A 152 ? 0.1546 0.1805 0.1084 0.0071 -0.0237 -0.0294 232 CYS A C 1179 O O . CYS A 152 ? 0.1930 0.1787 0.1404 -0.0131 -0.0732 -0.0364 232 CYS A O 1180 C CB . CYS A 152 ? 0.1605 0.1864 0.1081 0.0365 -0.0259 -0.0372 232 CYS A CB 1181 S SG . CYS A 152 ? 0.1728 0.2086 0.1362 0.0326 -0.0188 -0.0140 232 CYS A SG 1182 N N . MET A 153 ? 0.1482 0.1695 0.0770 0.0133 -0.0253 0.0011 233 MET A N 1183 C CA . MET A 153 ? 0.1442 0.1824 0.1143 0.0163 -0.0013 -0.0034 233 MET A CA 1184 C C . MET A 153 ? 0.1538 0.1749 0.0984 0.0152 0.0046 -0.0059 233 MET A C 1185 O O . MET A 153 ? 0.1533 0.1694 0.1174 0.0064 -0.0368 0.0077 233 MET A O 1186 C CB . MET A 153 ? 0.1386 0.2047 0.1394 0.0252 0.0187 -0.0043 233 MET A CB 1187 C CG . MET A 153 ? 0.1502 0.2367 0.1790 0.0152 0.0173 -0.0148 233 MET A CG 1188 S SD . MET A 153 ? 0.1777 0.2699 0.2280 0.0051 -0.0309 -0.0612 233 MET A SD 1189 C CE . MET A 153 ? 0.1846 0.2673 0.2025 0.0287 -0.0394 -0.0435 233 MET A CE 1190 N N . ASN A 154 ? 0.1861 0.1870 0.1019 0.0093 -0.0013 -0.0043 234 ASN A N 1191 C CA . ASN A 154 ? 0.1941 0.2164 0.1319 -0.0076 -0.0003 0.0127 234 ASN A CA 1192 C C . ASN A 154 ? 0.1760 0.2056 0.1310 -0.0079 -0.0120 -0.0123 234 ASN A C 1193 O O . ASN A 154 ? 0.1928 0.2378 0.1359 -0.0118 -0.0253 0.0048 234 ASN A O 1194 C CB . ASN A 154 ? 0.2340 0.2498 0.1430 -0.0098 -0.0083 0.0345 234 ASN A CB 1195 C CG . ASN A 154 ? 0.2829 0.2773 0.1964 -0.0099 -0.0049 0.0258 234 ASN A CG 1196 O OD1 . ASN A 154 ? 0.3089 0.2756 0.1781 -0.0425 -0.0117 -0.0031 234 ASN A OD1 1197 N ND2 . ASN A 154 ? 0.2758 0.2938 0.2577 0.0100 0.0009 0.0119 234 ASN A ND2 1198 N N . GLY A 155 ? 0.1586 0.1850 0.1207 -0.0004 -0.0280 -0.0222 235 GLY A N 1199 C CA . GLY A 155 ? 0.1519 0.1746 0.1411 0.0181 -0.0301 -0.0200 235 GLY A CA 1200 C C . GLY A 155 ? 0.1619 0.1770 0.1314 0.0186 -0.0175 -0.0142 235 GLY A C 1201 O O . GLY A 155 ? 0.1547 0.1801 0.1479 0.0268 -0.0201 -0.0077 235 GLY A O 1202 N N . ASN A 156 ? 0.1561 0.1702 0.1019 0.0144 0.0216 -0.0121 236 ASN A N 1203 C CA . ASN A 156 ? 0.1699 0.1689 0.0559 0.0144 -0.0126 0.0029 236 ASN A CA 1204 C C . ASN A 156 ? 0.1671 0.1654 0.0466 0.0075 -0.0228 0.0125 236 ASN A C 1205 O O . ASN A 156 ? 0.1781 0.1850 0.0896 -0.0066 -0.0217 -0.0124 236 ASN A O 1206 C CB . ASN A 156 ? 0.1942 0.1757 0.0866 0.0374 -0.0237 0.0425 236 ASN A CB 1207 C CG . ASN A 156 ? 0.2118 0.1917 0.0960 0.0233 -0.0284 0.0241 236 ASN A CG 1208 O OD1 . ASN A 156 ? 0.2402 0.2429 0.1457 0.0198 -0.0256 0.0186 236 ASN A OD1 1209 N ND2 . ASN A 156 ? 0.2124 0.1298 0.1206 0.0005 -0.0154 0.0250 236 ASN A ND2 1210 N N . CYS A 157 ? 0.1592 0.1533 0.0499 0.0167 -0.0127 -0.0088 237 CYS A N 1211 C CA . CYS A 157 ? 0.1507 0.1461 0.0859 0.0430 -0.0110 -0.0115 237 CYS A CA 1212 C C . CYS A 157 ? 0.1493 0.1249 0.1122 0.0268 0.0221 -0.0182 237 CYS A C 1213 O O . CYS A 157 ? 0.1618 0.1200 0.1714 0.0107 0.0562 -0.0207 237 CYS A O 1214 C CB . CYS A 157 ? 0.1623 0.1724 0.1196 0.0553 -0.0099 -0.0043 237 CYS A CB 1215 S SG . CYS A 157 ? 0.1702 0.2031 0.1517 0.0501 0.0008 0.0029 237 CYS A SG 1216 N N . TYR A 158 ? 0.1267 0.1125 0.0658 0.0472 0.0122 -0.0064 238 TYR A N 1217 C CA . TYR A 158 ? 0.1134 0.1174 0.0547 0.0368 -0.0251 -0.0300 238 TYR A CA 1218 C C . TYR A 158 ? 0.1095 0.1060 0.0870 0.0384 -0.0017 -0.0323 238 TYR A C 1219 O O . TYR A 158 ? 0.1186 0.1041 0.0993 0.0426 -0.0182 -0.0243 238 TYR A O 1220 C CB . TYR A 158 ? 0.1042 0.1542 0.0813 0.0322 -0.0174 0.0217 238 TYR A CB 1221 C CG . TYR A 158 ? 0.1068 0.1549 0.0549 0.0098 -0.0029 -0.0119 238 TYR A CG 1222 C CD1 . TYR A 158 ? 0.0968 0.1522 0.0539 0.0033 -0.0126 0.0281 238 TYR A CD1 1223 C CD2 . TYR A 158 ? 0.1256 0.1500 0.0474 0.0226 -0.0097 0.0098 238 TYR A CD2 1224 C CE1 . TYR A 158 ? 0.1252 0.1592 0.0707 -0.0055 -0.0096 0.0325 238 TYR A CE1 1225 C CE2 . TYR A 158 ? 0.1399 0.1524 0.0584 0.0090 -0.0393 0.0430 238 TYR A CE2 1226 C CZ . TYR A 158 ? 0.1415 0.1467 0.0779 0.0139 -0.0266 0.0366 238 TYR A CZ 1227 O OH . TYR A 158 ? 0.1687 0.1537 0.1377 0.0070 -0.0218 0.0258 238 TYR A OH 1228 N N . TRP A 159 ? 0.1012 0.1122 0.0845 0.0236 0.0135 -0.0157 239 TRP A N 1229 C CA . TRP A 159 ? 0.1167 0.1140 0.0896 0.0287 0.0060 -0.0119 239 TRP A CA 1230 C C . TRP A 159 ? 0.1327 0.1183 0.1040 0.0258 0.0152 -0.0069 239 TRP A C 1231 O O . TRP A 159 ? 0.1472 0.1018 0.1175 0.0336 0.0008 -0.0091 239 TRP A O 1232 C CB . TRP A 159 ? 0.0999 0.1269 0.0760 0.0149 -0.0067 -0.0162 239 TRP A CB 1233 C CG . TRP A 159 ? 0.1131 0.1323 0.1003 0.0135 -0.0029 -0.0081 239 TRP A CG 1234 C CD1 . TRP A 159 ? 0.1246 0.1466 0.1444 0.0068 0.0055 -0.0267 239 TRP A CD1 1235 C CD2 . TRP A 159 ? 0.1138 0.1450 0.0730 0.0150 0.0039 0.0141 239 TRP A CD2 1236 N NE1 . TRP A 159 ? 0.1171 0.1561 0.1399 0.0010 0.0259 -0.0269 239 TRP A NE1 1237 C CE2 . TRP A 159 ? 0.1108 0.1524 0.1044 0.0157 0.0089 0.0049 239 TRP A CE2 1238 C CE3 . TRP A 159 ? 0.1208 0.1655 0.1053 0.0120 0.0064 0.0135 239 TRP A CE3 1239 C CZ2 . TRP A 159 ? 0.1299 0.1534 0.1270 0.0064 0.0195 -0.0056 239 TRP A CZ2 1240 C CZ3 . TRP A 159 ? 0.1393 0.1797 0.1266 -0.0232 0.0032 0.0033 239 TRP A CZ3 1241 C CH2 . TRP A 159 ? 0.1429 0.1803 0.1457 -0.0187 0.0133 -0.0029 239 TRP A CH2 1242 N N . VAL A 160 ? 0.1072 0.1222 0.0879 0.0171 0.0048 -0.0240 240 VAL A N 1243 C CA . VAL A 160 ? 0.1074 0.1319 0.1147 0.0114 0.0127 -0.0388 240 VAL A CA 1244 C C . VAL A 160 ? 0.1227 0.1108 0.1059 0.0081 -0.0085 -0.0261 240 VAL A C 1245 O O . VAL A 160 ? 0.1464 0.0986 0.1077 0.0008 -0.0058 -0.0370 240 VAL A O 1246 C CB . VAL A 160 ? 0.0993 0.1503 0.1215 0.0084 0.0084 -0.0573 240 VAL A CB 1247 C CG1 . VAL A 160 ? 0.1014 0.1410 0.1564 0.0402 0.0430 -0.0667 240 VAL A CG1 1248 C CG2 . VAL A 160 ? 0.1183 0.1878 0.1443 0.0078 -0.0003 -0.0498 240 VAL A CG2 1249 N N . MET A 161 ? 0.1211 0.0971 0.0922 0.0100 0.0028 -0.0178 241 MET A N 1250 C CA . MET A 161 ? 0.0912 0.1036 0.1108 0.0247 0.0101 -0.0065 241 MET A CA 1251 C C . MET A 161 ? 0.1094 0.1053 0.0958 0.0207 0.0015 -0.0241 241 MET A C 1252 O O . MET A 161 ? 0.1398 0.1092 0.0928 0.0550 -0.0132 -0.0048 241 MET A O 1253 C CB . MET A 161 ? 0.0853 0.1238 0.1481 0.0095 0.0473 0.0043 241 MET A CB 1254 C CG . MET A 161 ? 0.0866 0.1735 0.2008 -0.0021 0.0362 -0.0477 241 MET A CG 1255 S SD . MET A 161 ? 0.1406 0.2335 0.2352 0.0001 0.0200 -0.0712 241 MET A SD 1256 C CE . MET A 161 ? 0.1278 0.2005 0.1968 0.0307 0.0023 0.0621 241 MET A CE 1257 N N . THR A 162 ? 0.1086 0.0993 0.0494 0.0151 0.0120 -0.0334 242 THR A N 1258 C CA . THR A 162 ? 0.1038 0.1034 0.0750 0.0171 0.0230 -0.0328 242 THR A CA 1259 C C . THR A 162 ? 0.1093 0.0958 0.1007 0.0217 0.0170 -0.0336 242 THR A C 1260 O O . THR A 162 ? 0.1111 0.0956 0.1172 0.0190 -0.0027 -0.0197 242 THR A O 1261 C CB . THR A 162 ? 0.1176 0.1101 0.0848 0.0006 0.0141 -0.0422 242 THR A CB 1262 O OG1 . THR A 162 ? 0.1277 0.1271 0.1043 -0.0135 0.0011 -0.0284 242 THR A OG1 1263 C CG2 . THR A 162 ? 0.1199 0.1200 0.1127 0.0103 0.0118 -0.0165 242 THR A CG2 1264 N N . ASP A 163 ? 0.1063 0.0923 0.1068 0.0186 0.0142 -0.0569 243 ASP A N 1265 C CA . ASP A 163 ? 0.1069 0.0821 0.1388 0.0194 0.0109 -0.0338 243 ASP A CA 1266 C C . ASP A 163 ? 0.1163 0.0779 0.1484 0.0263 0.0046 -0.0079 243 ASP A C 1267 O O . ASP A 163 ? 0.1090 0.1052 0.1480 0.0257 -0.0288 -0.0206 243 ASP A O 1268 C CB . ASP A 163 ? 0.0920 0.0916 0.1411 0.0058 0.0000 -0.0028 243 ASP A CB 1269 C CG . ASP A 163 ? 0.1206 0.1159 0.1518 0.0200 0.0305 0.0112 243 ASP A CG 1270 O OD1 . ASP A 163 ? 0.1307 0.1193 0.1574 0.0018 0.0250 0.0008 243 ASP A OD1 1271 O OD2 . ASP A 163 ? 0.1425 0.1222 0.1419 0.0235 0.0423 -0.0032 243 ASP A OD2 1272 N N . GLY A 164 ? 0.1155 0.0585 0.1572 0.0413 0.0134 -0.0248 244 GLY A N 1273 C CA . GLY A 164 ? 0.1235 0.0992 0.1570 0.0424 0.0132 -0.0096 244 GLY A CA 1274 C C . GLY A 164 ? 0.1152 0.1017 0.1513 0.0376 0.0112 -0.0051 244 GLY A C 1275 O O . GLY A 164 ? 0.1233 0.1085 0.1358 0.0567 0.0115 -0.0118 244 GLY A O 1276 N N . PRO A 165 ? 0.1124 0.1143 0.1301 0.0373 0.0088 -0.0060 245 PRO A N 1277 C CA . PRO A 165 ? 0.1204 0.1180 0.1315 0.0284 0.0451 -0.0052 245 PRO A CA 1278 C C . PRO A 165 ? 0.1351 0.1224 0.1283 0.0101 0.0149 -0.0157 245 PRO A C 1279 O O . PRO A 165 ? 0.1383 0.1221 0.0950 0.0097 0.0224 -0.0231 245 PRO A O 1280 C CB . PRO A 165 ? 0.1361 0.1397 0.1735 0.0344 0.0532 0.0031 245 PRO A CB 1281 C CG . PRO A 165 ? 0.1310 0.1511 0.1736 0.0524 0.0620 0.0101 245 PRO A CG 1282 C CD . PRO A 165 ? 0.1246 0.1336 0.1461 0.0666 0.0459 -0.0069 245 PRO A CD 1283 N N . ALA A 166 ? 0.1151 0.1081 0.1488 0.0026 0.0455 -0.0035 246 ALA A N 1284 C CA . ALA A 166 ? 0.1292 0.1098 0.1533 0.0217 0.0117 -0.0002 246 ALA A CA 1285 C C . ALA A 166 ? 0.1369 0.1349 0.1255 0.0217 0.0152 -0.0327 246 ALA A C 1286 O O . ALA A 166 ? 0.1382 0.1253 0.1278 0.0004 0.0114 -0.0479 246 ALA A O 1287 C CB . ALA A 166 ? 0.1382 0.1244 0.1637 0.0307 -0.0155 -0.0070 246 ALA A CB 1288 N N . ASN A 167 ? 0.1549 0.1495 0.1315 0.0380 0.0367 -0.0327 247 ASN A N 1289 C CA . ASN A 167 ? 0.1662 0.1626 0.1385 0.0235 0.0424 -0.0054 247 ASN A CA 1290 C C . ASN A 167 ? 0.1764 0.1674 0.1500 0.0227 0.0488 0.0240 247 ASN A C 1291 O O . ASN A 167 ? 0.2096 0.1953 0.2087 0.0217 0.0334 0.0203 247 ASN A O 1292 C CB . ASN A 167 ? 0.1677 0.1675 0.1216 0.0159 0.0547 0.0027 247 ASN A CB 1293 C CG . ASN A 167 ? 0.1579 0.1510 0.1024 0.0154 0.0469 -0.0451 247 ASN A CG 1294 O OD1 . ASN A 167 ? 0.1579 0.1551 0.1455 0.0140 0.0153 -0.0237 247 ASN A OD1 1295 N ND2 . ASN A 167 ? 0.1393 0.1484 0.1537 0.0009 0.0647 -0.0434 247 ASN A ND2 1296 N N . SER A 168 ? 0.1664 0.1332 0.1470 0.0185 0.0329 0.0318 248 SER A N 1297 C CA . SER A 168 ? 0.1644 0.1232 0.1358 0.0199 0.0329 0.0016 248 SER A CA 1298 C C . SER A 168 ? 0.1721 0.1173 0.1139 0.0286 0.0012 0.0047 248 SER A C 1299 O O . SER A 168 ? 0.1906 0.1197 0.1277 0.0374 0.0030 -0.0244 248 SER A O 1300 C CB . SER A 168 ? 0.1799 0.2004 0.2007 -0.0019 0.0428 -0.0390 248 SER A CB 1301 O OG . SER A 168 ? 0.1993 0.2312 0.2676 0.0135 0.0231 -0.0300 248 SER A OG 1302 N N . GLN A 169 ? 0.1615 0.1276 0.1357 0.0339 -0.0024 0.0219 249 GLN A N 1303 C CA . GLN A 169 ? 0.1501 0.1237 0.1300 0.0227 0.0111 0.0140 249 GLN A CA 1304 C C . GLN A 169 ? 0.1347 0.1216 0.1574 0.0286 0.0034 -0.0041 249 GLN A C 1305 O O . GLN A 169 ? 0.1294 0.1548 0.1808 0.0320 -0.0073 -0.0171 249 GLN A O 1306 C CB . GLN A 169 ? 0.1595 0.1347 0.1143 0.0370 0.0058 0.0179 249 GLN A CB 1307 C CG . GLN A 169 ? 0.1820 0.1412 0.1392 0.0364 -0.0201 -0.0111 249 GLN A CG 1308 C CD . GLN A 169 ? 0.1929 0.1340 0.1590 0.0471 -0.0161 -0.0128 249 GLN A CD 1309 O OE1 . GLN A 169 ? 0.1906 0.1448 0.2056 0.0445 -0.0066 -0.0134 249 GLN A OE1 1310 N NE2 . GLN A 169 ? 0.2027 0.1373 0.1481 0.0586 -0.0112 -0.0231 249 GLN A NE2 1311 N N . ALA A 170 ? 0.1285 0.1240 0.1744 0.0337 0.0065 -0.0049 250 ALA A N 1312 C CA . ALA A 170 ? 0.1438 0.1211 0.1355 0.0360 0.0150 -0.0095 250 ALA A CA 1313 C C . ALA A 170 ? 0.1420 0.1431 0.1433 0.0275 -0.0092 -0.0085 250 ALA A C 1314 O O . ALA A 170 ? 0.1283 0.1724 0.1439 0.0256 -0.0139 0.0146 250 ALA A O 1315 C CB . ALA A 170 ? 0.1545 0.1241 0.1202 0.0447 0.0060 -0.0108 250 ALA A CB 1316 N N . SER A 171 ? 0.1459 0.1245 0.1446 0.0313 -0.0241 -0.0173 251 SER A N 1317 C CA . SER A 171 ? 0.1577 0.1137 0.1474 0.0324 -0.0208 -0.0047 251 SER A CA 1318 C C . SER A 171 ? 0.1392 0.0996 0.1181 0.0254 -0.0364 -0.0279 251 SER A C 1319 O O . SER A 171 ? 0.1285 0.1088 0.1488 0.0226 -0.0155 0.0227 251 SER A O 1320 C CB . SER A 171 ? 0.1774 0.1181 0.1384 0.0138 0.0188 0.0443 251 SER A CB 1321 O OG . SER A 171 ? 0.1959 0.1336 0.1541 -0.0090 0.0093 0.0019 251 SER A OG 1322 N N . TYR A 172 ? 0.1468 0.0967 0.0994 0.0198 -0.0049 -0.0360 252 TYR A N 1323 C CA . TYR A 172 ? 0.1250 0.1034 0.1060 0.0145 -0.0103 -0.0369 252 TYR A CA 1324 C C . TYR A 172 ? 0.1322 0.1204 0.1206 0.0213 -0.0063 -0.0081 252 TYR A C 1325 O O . TYR A 172 ? 0.1490 0.1216 0.1556 0.0387 -0.0004 0.0143 252 TYR A O 1326 C CB . TYR A 172 ? 0.1134 0.1075 0.1349 0.0146 -0.0232 -0.0385 252 TYR A CB 1327 C CG . TYR A 172 ? 0.1135 0.1099 0.1144 0.0177 -0.0214 -0.0330 252 TYR A CG 1328 C CD1 . TYR A 172 ? 0.1256 0.1169 0.1313 0.0208 -0.0271 0.0081 252 TYR A CD1 1329 C CD2 . TYR A 172 ? 0.1115 0.1173 0.1135 0.0298 0.0267 -0.0254 252 TYR A CD2 1330 C CE1 . TYR A 172 ? 0.1279 0.1268 0.1223 0.0245 -0.0094 0.0041 252 TYR A CE1 1331 C CE2 . TYR A 172 ? 0.1262 0.1334 0.1078 0.0161 0.0410 -0.0067 252 TYR A CE2 1332 C CZ . TYR A 172 ? 0.1288 0.1375 0.1096 0.0272 0.0209 -0.0054 252 TYR A CZ 1333 O OH . TYR A 172 ? 0.1487 0.1421 0.1259 0.0311 -0.0237 -0.0023 252 TYR A OH 1334 N N . LYS A 173 ? 0.1317 0.1142 0.0870 0.0108 0.0108 -0.0031 253 LYS A N 1335 C CA . LYS A 173 ? 0.1309 0.1065 0.1185 -0.0186 -0.0122 0.0001 253 LYS A CA 1336 C C . LYS A 173 ? 0.1361 0.1178 0.1144 0.0003 -0.0031 -0.0053 253 LYS A C 1337 O O . LYS A 173 ? 0.1745 0.1125 0.1114 0.0045 -0.0269 -0.0014 253 LYS A O 1338 C CB . LYS A 173 ? 0.1646 0.1037 0.1817 -0.0497 -0.0088 0.0314 253 LYS A CB 1339 C CG . LYS A 173 ? 0.1908 0.1137 0.2203 -0.0636 -0.0204 0.0320 253 LYS A CG 1340 C CD . LYS A 173 ? 0.2194 0.1303 0.2405 -0.0765 -0.0001 0.0448 253 LYS A CD 1341 C CE . LYS A 173 ? 0.2543 0.1537 0.2552 -0.0836 0.0074 0.0593 253 LYS A CE 1342 N NZ . LYS A 173 ? 0.2933 0.1891 0.2891 -0.0917 0.0033 0.0600 253 LYS A NZ 1343 N N . ILE A 174 ? 0.1244 0.1233 0.0961 0.0109 0.0099 -0.0068 254 ILE A N 1344 C CA . ILE A 174 ? 0.1279 0.1141 0.1199 0.0126 0.0122 -0.0084 254 ILE A CA 1345 C C . ILE A 174 ? 0.1341 0.1150 0.1008 0.0231 0.0045 0.0029 254 ILE A C 1346 O O . ILE A 174 ? 0.1401 0.1087 0.1159 0.0265 -0.0186 -0.0127 254 ILE A O 1347 C CB . ILE A 174 ? 0.1352 0.1433 0.1481 -0.0027 -0.0092 -0.0579 254 ILE A CB 1348 C CG1 . ILE A 174 ? 0.1612 0.1906 0.1832 -0.0032 -0.0463 -0.0683 254 ILE A CG1 1349 C CG2 . ILE A 174 ? 0.1593 0.1739 0.1702 -0.0002 0.0022 -0.0603 254 ILE A CG2 1350 C CD1 . ILE A 174 ? 0.1727 0.2069 0.1968 0.0091 -0.0466 -0.0667 254 ILE A CD1 1351 N N . PHE A 175 ? 0.1158 0.1307 0.1108 0.0347 0.0015 0.0080 255 PHE A N 1352 C CA . PHE A 175 ? 0.1295 0.1433 0.0845 0.0343 -0.0285 -0.0041 255 PHE A CA 1353 C C . PHE A 175 ? 0.1531 0.1425 0.0781 0.0228 -0.0063 -0.0229 255 PHE A C 1354 O O . PHE A 175 ? 0.1673 0.1366 0.1370 0.0158 0.0032 -0.0364 255 PHE A O 1355 C CB . PHE A 175 ? 0.1188 0.1634 0.0655 0.0286 -0.0322 -0.0171 255 PHE A CB 1356 C CG . PHE A 175 ? 0.1355 0.1723 0.0815 0.0349 -0.0221 -0.0372 255 PHE A CG 1357 C CD1 . PHE A 175 ? 0.1358 0.1804 0.1235 0.0139 -0.0185 -0.0479 255 PHE A CD1 1358 C CD2 . PHE A 175 ? 0.1429 0.1807 0.0611 0.0538 -0.0230 -0.0381 255 PHE A CD2 1359 C CE1 . PHE A 175 ? 0.1526 0.1843 0.1524 0.0107 -0.0222 -0.0186 255 PHE A CE1 1360 C CE2 . PHE A 175 ? 0.1409 0.1701 0.0875 0.0341 -0.0297 -0.0392 255 PHE A CE2 1361 C CZ . PHE A 175 ? 0.1526 0.1893 0.1555 0.0300 -0.0312 -0.0257 255 PHE A CZ 1362 N N . LYS A 176 ? 0.1495 0.1433 0.0369 0.0238 0.0226 -0.0204 256 LYS A N 1363 C CA . LYS A 176 ? 0.1271 0.1408 0.0582 0.0163 0.0045 -0.0177 256 LYS A CA 1364 C C . LYS A 176 ? 0.1111 0.1350 0.0984 0.0041 -0.0185 -0.0147 256 LYS A C 1365 O O . LYS A 176 ? 0.1323 0.1443 0.1063 0.0162 -0.0508 -0.0021 256 LYS A O 1366 C CB . LYS A 176 ? 0.1398 0.1498 0.0497 0.0081 -0.0070 0.0113 256 LYS A CB 1367 C CG . LYS A 176 ? 0.1507 0.1594 0.0652 0.0067 -0.0272 0.0262 256 LYS A CG 1368 C CD . LYS A 176 ? 0.1769 0.1727 0.0796 0.0101 -0.0392 0.0166 256 LYS A CD 1369 C CE . LYS A 176 ? 0.1778 0.1710 0.0899 0.0316 -0.0442 0.0209 256 LYS A CE 1370 N NZ . LYS A 176 ? 0.1767 0.1787 0.1188 0.0403 -0.0203 0.0142 256 LYS A NZ 1371 N N . SER A 177 ? 0.1084 0.1397 0.1173 0.0128 0.0011 -0.0107 257 SER A N 1372 C CA . SER A 177 ? 0.1290 0.1457 0.0961 0.0234 -0.0006 -0.0004 257 SER A CA 1373 C C . SER A 177 ? 0.1422 0.1660 0.0935 0.0100 0.0090 0.0040 257 SER A C 1374 O O . SER A 177 ? 0.1472 0.1614 0.1062 -0.0062 -0.0007 -0.0060 257 SER A O 1375 C CB . SER A 177 ? 0.1666 0.1509 0.0879 0.0185 0.0021 -0.0245 257 SER A CB 1376 O OG . SER A 177 ? 0.1980 0.1749 0.1095 0.0281 -0.0067 -0.0088 257 SER A OG 1377 N N . HIS A 178 ? 0.1135 0.1607 0.0747 0.0195 0.0209 0.0111 258 HIS A N 1378 C CA . HIS A 178 ? 0.1442 0.1618 0.0483 0.0207 0.0140 -0.0046 258 HIS A CA 1379 C C . HIS A 178 ? 0.1381 0.1641 0.1208 0.0241 0.0082 0.0096 258 HIS A C 1380 O O . HIS A 178 ? 0.1322 0.1560 0.1364 0.0256 -0.0088 0.0144 258 HIS A O 1381 C CB . HIS A 178 ? 0.1727 0.1698 0.0756 0.0186 0.0044 -0.0219 258 HIS A CB 1382 C CG . HIS A 178 ? 0.1982 0.1893 0.1273 -0.0020 0.0393 -0.0237 258 HIS A CG 1383 N ND1 . HIS A 178 ? 0.2237 0.1993 0.1739 -0.0146 0.0608 -0.0588 258 HIS A ND1 1384 C CD2 . HIS A 178 ? 0.2211 0.1960 0.1640 0.0064 0.0696 -0.0319 258 HIS A CD2 1385 C CE1 . HIS A 178 ? 0.2133 0.1943 0.1893 -0.0208 0.0653 -0.0546 258 HIS A CE1 1386 N NE2 . HIS A 178 ? 0.2259 0.2002 0.1858 -0.0050 0.0511 -0.0433 258 HIS A NE2 1387 N N . GLU A 179 ? 0.1258 0.1677 0.1355 0.0451 0.0093 -0.0067 259 GLU A N 1388 C CA . GLU A 179 ? 0.1565 0.1876 0.1439 0.0462 0.0377 -0.0228 259 GLU A CA 1389 C C . GLU A 179 ? 0.1450 0.1708 0.1417 0.0383 0.0167 -0.0082 259 GLU A C 1390 O O . GLU A 179 ? 0.1372 0.1551 0.1686 0.0374 -0.0148 -0.0055 259 GLU A O 1391 C CB . GLU A 179 ? 0.1967 0.2274 0.1493 0.0404 0.0688 -0.0293 259 GLU A CB 1392 C CG . GLU A 179 ? 0.2517 0.2723 0.2269 0.0393 0.0998 -0.0529 259 GLU A CG 1393 C CD . GLU A 179 ? 0.3002 0.3216 0.3169 0.0392 0.1109 -0.0574 259 GLU A CD 1394 O OE1 . GLU A 179 ? 0.3137 0.3488 0.3317 0.0386 0.1345 -0.0492 259 GLU A OE1 1395 O OE2 . GLU A 179 ? 0.3380 0.3533 0.3564 0.0292 0.0904 -0.0585 259 GLU A OE2 1396 N N . GLY A 180 ? 0.1468 0.1523 0.1217 0.0205 -0.0154 0.0090 260 GLY A N 1397 C CA . GLY A 180 ? 0.1579 0.1584 0.1002 0.0185 -0.0291 -0.0002 260 GLY A CA 1398 C C . GLY A 180 ? 0.1454 0.1441 0.1203 0.0094 -0.0149 0.0164 260 GLY A C 1399 O O . GLY A 180 ? 0.1417 0.1492 0.1250 0.0034 -0.0067 0.0094 260 GLY A O 1400 N N . MET A 181 ? 0.1318 0.1388 0.1774 0.0306 -0.0184 0.0346 261 MET A N 1401 C CA . MET A 181 ? 0.1239 0.1469 0.1502 0.0338 -0.0044 0.0124 261 MET A CA 1402 C C . MET A 181 ? 0.1085 0.1398 0.1146 0.0199 -0.0119 -0.0042 261 MET A C 1403 O O . MET A 181 ? 0.0975 0.1578 0.1230 0.0040 -0.0367 0.0090 261 MET A O 1404 C CB . MET A 181 ? 0.1523 0.1966 0.1419 0.0317 -0.0008 -0.0038 261 MET A CB 1405 C CG . MET A 181 ? 0.1795 0.2440 0.1864 0.0420 -0.0095 0.0172 261 MET A CG 1406 S SD . MET A 181 ? 0.2140 0.2927 0.2516 0.0167 -0.0100 0.0405 261 MET A SD 1407 C CE . MET A 181 ? 0.2205 0.2934 0.2522 0.0092 -0.0043 0.0450 261 MET A CE 1408 N N . VAL A 182 ? 0.1175 0.1231 0.1282 0.0253 -0.0326 0.0119 262 VAL A N 1409 C CA . VAL A 182 ? 0.1320 0.1332 0.1380 0.0373 -0.0113 -0.0015 262 VAL A CA 1410 C C . VAL A 182 ? 0.1351 0.1419 0.1047 0.0161 -0.0068 0.0138 262 VAL A C 1411 O O . VAL A 182 ? 0.1597 0.1760 0.1475 -0.0144 -0.0110 0.0079 262 VAL A O 1412 C CB . VAL A 182 ? 0.1427 0.1331 0.1352 0.0413 -0.0183 0.0274 262 VAL A CB 1413 C CG1 . VAL A 182 ? 0.1234 0.1530 0.1527 0.0194 -0.0023 0.0046 262 VAL A CG1 1414 C CG2 . VAL A 182 ? 0.1810 0.1408 0.1529 0.0453 -0.0280 0.0518 262 VAL A CG2 1415 N N . THR A 183 ? 0.1311 0.1481 0.0999 0.0253 -0.0268 0.0216 263 THR A N 1416 C CA . THR A 183 ? 0.1320 0.1645 0.0966 0.0359 -0.0237 0.0192 263 THR A CA 1417 C C . THR A 183 ? 0.1311 0.1720 0.1048 0.0501 -0.0259 0.0276 263 THR A C 1418 O O . THR A 183 ? 0.1482 0.1867 0.1343 0.0556 -0.0190 0.0429 263 THR A O 1419 C CB . THR A 183 ? 0.1405 0.1634 0.1517 0.0130 -0.0314 -0.0124 263 THR A CB 1420 O OG1 . THR A 183 ? 0.1457 0.1503 0.1670 0.0007 -0.0479 -0.0007 263 THR A OG1 1421 C CG2 . THR A 183 ? 0.1392 0.1763 0.1688 0.0251 -0.0147 -0.0093 263 THR A CG2 1422 N N . ASN A 184 ? 0.1107 0.1690 0.0891 0.0451 -0.0220 0.0076 264 ASN A N 1423 C CA . ASN A 184 ? 0.1285 0.1806 0.0947 0.0400 -0.0227 0.0170 264 ASN A CA 1424 C C . ASN A 184 ? 0.1153 0.1559 0.1208 0.0356 -0.0004 0.0167 264 ASN A C 1425 O O . ASN A 184 ? 0.1102 0.1378 0.1357 0.0217 -0.0116 0.0020 264 ASN A O 1426 C CB . ASN A 184 ? 0.1741 0.2132 0.1194 0.0539 -0.0472 0.0371 264 ASN A CB 1427 C CG . ASN A 184 ? 0.2228 0.2470 0.1599 0.0485 -0.0281 0.0702 264 ASN A CG 1428 O OD1 . ASN A 184 ? 0.2406 0.2355 0.1719 0.1092 0.0370 0.0578 264 ASN A OD1 1429 N ND2 . ASN A 184 ? 0.2331 0.2833 0.2441 0.0203 -0.0453 0.1061 264 ASN A ND2 1430 N N . GLU A 185 ? 0.1403 0.1492 0.1325 0.0389 0.0160 0.0198 265 GLU A N 1431 C CA . GLU A 185 ? 0.1601 0.1604 0.1468 0.0600 0.0085 0.0207 265 GLU A CA 1432 C C . GLU A 185 ? 0.1553 0.1600 0.1466 0.0617 0.0278 0.0433 265 GLU A C 1433 O O . GLU A 185 ? 0.1723 0.1593 0.1595 0.0609 0.0188 0.0738 265 GLU A O 1434 C CB . GLU A 185 ? 0.2258 0.1959 0.2103 0.0490 -0.0244 0.0029 265 GLU A CB 1435 C CG . GLU A 185 ? 0.2943 0.2618 0.3059 0.0193 -0.0549 -0.0292 265 GLU A CG 1436 C CD . GLU A 185 ? 0.3428 0.3196 0.3810 -0.0032 -0.0938 -0.0318 265 GLU A CD 1437 O OE1 . GLU A 185 ? 0.3488 0.3317 0.3632 -0.0114 -0.1674 -0.0010 265 GLU A OE1 1438 O OE2 . GLU A 185 ? 0.3735 0.3621 0.4154 -0.0308 -0.0706 -0.0513 265 GLU A OE2 1439 N N . ARG A 186 ? 0.1307 0.1557 0.1436 0.0633 0.0355 0.0243 266 ARG A N 1440 C CA . ARG A 186 ? 0.1424 0.1695 0.1526 0.0585 0.0169 0.0110 266 ARG A CA 1441 C C . ARG A 186 ? 0.1418 0.1519 0.1232 0.0415 0.0175 0.0052 266 ARG A C 1442 O O . ARG A 186 ? 0.1621 0.1570 0.1179 0.0375 -0.0010 0.0169 266 ARG A O 1443 C CB . ARG A 186 ? 0.1648 0.1970 0.1532 0.0733 -0.0044 -0.0083 266 ARG A CB 1444 C CG . ARG A 186 ? 0.2012 0.2270 0.1948 0.0884 -0.0386 -0.0080 266 ARG A CG 1445 C CD . ARG A 186 ? 0.2571 0.2502 0.2425 0.0713 -0.0275 -0.0013 266 ARG A CD 1446 N NE . ARG A 186 ? 0.2862 0.2624 0.2541 0.0654 -0.0368 0.0295 266 ARG A NE 1447 C CZ . ARG A 186 ? 0.3043 0.2758 0.2526 0.0662 -0.0481 0.0271 266 ARG A CZ 1448 N NH1 . ARG A 186 ? 0.3191 0.2709 0.2767 0.0683 -0.0760 0.0443 266 ARG A NH1 1449 N NH2 . ARG A 186 ? 0.3088 0.2819 0.2143 0.0681 -0.0342 0.0039 266 ARG A NH2 1450 N N . GLU A 187 ? 0.1227 0.1519 0.1297 0.0303 0.0108 -0.0225 267 GLU A N 1451 C CA . GLU A 187 ? 0.1343 0.1727 0.1502 0.0166 0.0024 -0.0197 267 GLU A CA 1452 C C . GLU A 187 ? 0.1410 0.1835 0.1611 0.0307 -0.0187 0.0105 267 GLU A C 1453 O O . GLU A 187 ? 0.1500 0.2122 0.1493 0.0350 -0.0262 0.0272 267 GLU A O 1454 C CB . GLU A 187 ? 0.1803 0.1899 0.1915 0.0105 0.0420 -0.0252 267 GLU A CB 1455 C CG . GLU A 187 ? 0.2220 0.2113 0.2100 -0.0006 0.0350 -0.0282 267 GLU A CG 1456 C CD . GLU A 187 ? 0.2498 0.2386 0.2380 -0.0305 0.0294 0.0075 267 GLU A CD 1457 O OE1 . GLU A 187 ? 0.2812 0.2836 0.2542 -0.0631 0.0459 -0.0019 267 GLU A OE1 1458 O OE2 . GLU A 187 ? 0.2430 0.2173 0.2370 -0.0116 0.0178 0.0250 267 GLU A OE2 1459 N N . VAL A 188 ? 0.1463 0.1544 0.1531 0.0302 -0.0132 0.0161 268 VAL A N 1460 C CA . VAL A 188 ? 0.1501 0.1461 0.1610 0.0335 -0.0008 -0.0055 268 VAL A CA 1461 C C . VAL A 188 ? 0.1607 0.1829 0.1664 0.0466 0.0015 0.0019 268 VAL A C 1462 O O . VAL A 188 ? 0.1840 0.2264 0.1690 0.0499 -0.0121 -0.0333 268 VAL A O 1463 C CB . VAL A 188 ? 0.1575 0.1255 0.1915 0.0435 -0.0037 -0.0181 268 VAL A CB 1464 C CG1 . VAL A 188 ? 0.1864 0.1352 0.1995 0.0106 -0.0083 -0.0212 268 VAL A CG1 1465 C CG2 . VAL A 188 ? 0.1646 0.1356 0.1885 0.0584 -0.0114 -0.0262 268 VAL A CG2 1466 N N . SER A 189 ? 0.1524 0.1502 0.1659 0.0732 0.0197 0.0089 269 SER A N 1467 C CA . SER A 189 ? 0.2016 0.1387 0.1783 0.0758 0.0146 0.0079 269 SER A CA 1468 C C . SER A 189 ? 0.1992 0.1360 0.1524 0.0538 0.0152 0.0073 269 SER A C 1469 O O . SER A 189 ? 0.1875 0.1735 0.1467 0.0467 -0.0067 0.0049 269 SER A O 1470 C CB . SER A 189 ? 0.2438 0.1471 0.2303 0.0914 -0.0018 0.0109 269 SER A CB 1471 O OG . SER A 189 ? 0.2932 0.1461 0.2800 0.0855 -0.0050 0.0147 269 SER A OG 1472 N N . PHE A 190 ? 0.1978 0.1020 0.1415 0.0447 0.0141 0.0212 270 PHE A N 1473 C CA . PHE A 190 ? 0.1871 0.1006 0.1524 0.0449 0.0181 0.0120 270 PHE A CA 1474 C C . PHE A 190 ? 0.2011 0.1189 0.1626 0.0494 0.0120 0.0191 270 PHE A C 1475 O O . PHE A 190 ? 0.1992 0.1299 0.1629 0.0399 0.0021 0.0013 270 PHE A O 1476 C CB . PHE A 190 ? 0.1649 0.0900 0.1654 0.0434 -0.0108 0.0163 270 PHE A CB 1477 C CG . PHE A 190 ? 0.1490 0.0992 0.1794 0.0273 -0.0189 -0.0198 270 PHE A CG 1478 C CD1 . PHE A 190 ? 0.1548 0.1121 0.1660 0.0129 -0.0081 -0.0185 270 PHE A CD1 1479 C CD2 . PHE A 190 ? 0.1450 0.1016 0.1953 0.0157 -0.0043 -0.0088 270 PHE A CD2 1480 C CE1 . PHE A 190 ? 0.1663 0.1235 0.1595 0.0358 -0.0117 0.0071 270 PHE A CE1 1481 C CE2 . PHE A 190 ? 0.1445 0.1041 0.1864 0.0258 0.0232 -0.0272 270 PHE A CE2 1482 C CZ . PHE A 190 ? 0.1539 0.1120 0.1965 0.0326 0.0125 -0.0179 270 PHE A CZ 1483 N N . GLN A 191 ? 0.2128 0.1543 0.2002 0.0637 0.0126 0.0217 271 GLN A N 1484 C CA . GLN A 191 ? 0.2336 0.1560 0.2601 0.0766 0.0121 0.0222 271 GLN A CA 1485 C C . GLN A 191 ? 0.1941 0.1494 0.2409 0.0742 0.0029 0.0206 271 GLN A C 1486 O O . GLN A 191 ? 0.1945 0.1719 0.2405 0.0636 -0.0315 0.0039 271 GLN A O 1487 C CB . GLN A 191 ? 0.2799 0.2006 0.3414 0.0624 -0.0047 0.0358 271 GLN A CB 1488 C CG . GLN A 191 ? 0.3368 0.2689 0.4337 0.0562 0.0043 0.0081 271 GLN A CG 1489 C CD . GLN A 191 ? 0.3949 0.3258 0.5245 0.0513 0.0236 -0.0273 271 GLN A CD 1490 O OE1 . GLN A 191 ? 0.4088 0.3546 0.5618 0.0423 0.0247 -0.0415 271 GLN A OE1 1491 N NE2 . GLN A 191 ? 0.4320 0.3505 0.5504 0.0400 0.0423 -0.0519 271 GLN A NE2 1492 N N . GLY A 192 ? 0.1783 0.1368 0.2365 0.0716 -0.0068 0.0116 272 GLY A N 1493 C CA . GLY A 192 ? 0.1627 0.1272 0.2483 0.0606 0.0116 -0.0027 272 GLY A CA 1494 C C . GLY A 192 ? 0.1549 0.1331 0.2310 0.0524 -0.0026 -0.0091 272 GLY A C 1495 O O . GLY A 192 ? 0.1557 0.1488 0.2334 0.0440 -0.0050 -0.0162 272 GLY A O 1496 N N . GLY A 193 ? 0.1092 0.1095 0.2274 0.0660 -0.0025 -0.0127 273 GLY A N 1497 C CA . GLY A 193 ? 0.1140 0.1234 0.2108 0.0589 0.0032 -0.0074 273 GLY A CA 1498 C C . GLY A 193 ? 0.1301 0.1254 0.1699 0.0479 -0.0098 0.0136 273 GLY A C 1499 O O . GLY A 193 ? 0.1429 0.1357 0.1758 0.0487 -0.0075 0.0024 273 GLY A O 1500 N N . HIS A 194 ? 0.1280 0.1345 0.1451 0.0445 -0.0185 -0.0022 274 HIS A N 1501 C CA . HIS A 194 ? 0.1456 0.1371 0.1181 0.0351 -0.0198 -0.0216 274 HIS A CA 1502 C C . HIS A 194 ? 0.1224 0.1208 0.1346 0.0323 0.0061 -0.0297 274 HIS A C 1503 O O . HIS A 194 ? 0.1225 0.1043 0.1777 0.0076 0.0040 -0.0225 274 HIS A O 1504 C CB . HIS A 194 ? 0.1612 0.1403 0.0848 0.0167 -0.0294 0.0103 274 HIS A CB 1505 C CG . HIS A 194 ? 0.1770 0.1413 0.1084 0.0041 -0.0386 -0.0316 274 HIS A CG 1506 N ND1 . HIS A 194 ? 0.1838 0.1536 0.1350 -0.0186 -0.0300 -0.0365 274 HIS A ND1 1507 C CD2 . HIS A 194 ? 0.1870 0.1558 0.1313 0.0102 -0.0183 -0.0358 274 HIS A CD2 1508 C CE1 . HIS A 194 ? 0.2007 0.1551 0.1351 -0.0049 -0.0280 -0.0530 274 HIS A CE1 1509 N NE2 . HIS A 194 ? 0.2022 0.1442 0.1152 0.0092 -0.0327 -0.0520 274 HIS A NE2 1510 N N . ILE A 195 ? 0.0880 0.1167 0.1474 0.0595 0.0208 -0.0476 275 ILE A N 1511 C CA . ILE A 195 ? 0.1103 0.1281 0.1396 0.0441 0.0056 -0.0153 275 ILE A CA 1512 C C . ILE A 195 ? 0.1144 0.1175 0.1483 0.0428 0.0044 -0.0080 275 ILE A C 1513 O O . ILE A 195 ? 0.1243 0.1195 0.1869 0.0447 0.0020 0.0000 275 ILE A O 1514 C CB . ILE A 195 ? 0.1358 0.1579 0.1381 0.0656 -0.0075 -0.0135 275 ILE A CB 1515 C CG1 . ILE A 195 ? 0.1641 0.1824 0.1489 0.0505 -0.0307 0.0154 275 ILE A CG1 1516 C CG2 . ILE A 195 ? 0.1446 0.1450 0.1263 0.0687 -0.0201 -0.0186 275 ILE A CG2 1517 C CD1 . ILE A 195 ? 0.1764 0.1951 0.1390 0.0467 -0.0298 0.0222 275 ILE A CD1 1518 N N . GLU A 196 ? 0.1277 0.1098 0.1436 0.0605 -0.0089 0.0010 276 GLU A N 1519 C CA . GLU A 196 ? 0.1487 0.1193 0.1299 0.0598 -0.0098 -0.0371 276 GLU A CA 1520 C C . GLU A 196 ? 0.1383 0.0975 0.1145 0.0409 -0.0069 -0.0217 276 GLU A C 1521 O O . GLU A 196 ? 0.1082 0.1080 0.1528 0.0286 -0.0034 -0.0012 276 GLU A O 1522 C CB . GLU A 196 ? 0.1724 0.1392 0.1011 0.0609 -0.0326 -0.0730 276 GLU A CB 1523 C CG . GLU A 196 ? 0.2062 0.1639 0.1387 0.0311 0.0007 -0.0722 276 GLU A CG 1524 C CD . GLU A 196 ? 0.2046 0.1744 0.1949 0.0143 -0.0002 -0.0170 276 GLU A CD 1525 O OE1 . GLU A 196 ? 0.1973 0.1671 0.1907 0.0086 0.0106 -0.0035 276 GLU A OE1 1526 O OE2 . GLU A 196 ? 0.1932 0.1691 0.2148 -0.0086 0.0310 0.0009 276 GLU A OE2 1527 N N . GLU A 197 ? 0.1401 0.0994 0.1002 0.0301 0.0051 -0.0168 277 GLU A N 1528 C CA . GLU A 197 ? 0.1261 0.1082 0.1061 0.0080 -0.0030 -0.0206 277 GLU A CA 1529 C C . GLU A 197 ? 0.1268 0.1032 0.0816 0.0107 0.0060 -0.0150 277 GLU A C 1530 O O . GLU A 197 ? 0.1395 0.0675 0.0770 0.0174 0.0019 0.0134 277 GLU A O 1531 C CB . GLU A 197 ? 0.1272 0.1273 0.0956 0.0086 -0.0191 -0.0191 277 GLU A CB 1532 C CG . GLU A 197 ? 0.1237 0.1235 0.0966 0.0081 -0.0080 0.0037 277 GLU A CG 1533 C CD . GLU A 197 ? 0.1416 0.1334 0.1217 0.0125 -0.0305 -0.0123 277 GLU A CD 1534 O OE1 . GLU A 197 ? 0.1310 0.1361 0.1072 0.0222 -0.0049 -0.0119 277 GLU A OE1 1535 O OE2 . GLU A 197 ? 0.1711 0.1341 0.1072 0.0088 -0.0361 -0.0263 277 GLU A OE2 1536 N N . CYS A 198 ? 0.1216 0.1059 0.0756 0.0122 0.0006 -0.0425 278 CYS A N 1537 C CA . CYS A 198 ? 0.1314 0.1132 0.0738 0.0201 -0.0200 -0.0459 278 CYS A CA 1538 C C . CYS A 198 ? 0.1025 0.1139 0.0941 0.0226 -0.0029 -0.0195 278 CYS A C 1539 O O . CYS A 198 ? 0.0735 0.1349 0.1204 0.0330 -0.0068 -0.0156 278 CYS A O 1540 C CB . CYS A 198 ? 0.1846 0.1192 0.1098 0.0202 -0.0065 -0.0199 278 CYS A CB 1541 S SG . CYS A 198 ? 0.2391 0.1402 0.1677 0.0216 0.0085 0.0015 278 CYS A SG 1542 N N . SER A 199 ? 0.0975 0.0958 0.0912 -0.0102 -0.0136 -0.0283 279 SER A N 1543 C CA . SER A 199 ? 0.1104 0.0961 0.1145 -0.0015 -0.0158 -0.0006 279 SER A CA 1544 C C . SER A 199 ? 0.0963 0.1111 0.0873 -0.0246 -0.0127 -0.0276 279 SER A C 1545 O O . SER A 199 ? 0.1087 0.1158 0.0724 -0.0182 -0.0023 -0.0270 279 SER A O 1546 C CB . SER A 199 ? 0.1195 0.1228 0.1103 -0.0022 -0.0237 0.0373 279 SER A CB 1547 O OG . SER A 199 ? 0.1318 0.1288 0.1460 0.0068 -0.0335 0.0210 279 SER A OG 1548 N N . CYS A 200 ? 0.0903 0.1289 0.0890 -0.0310 -0.0045 -0.0241 280 CYS A N 1549 C CA . CYS A 200 ? 0.0983 0.1367 0.0852 -0.0034 -0.0146 -0.0557 280 CYS A CA 1550 C C . CYS A 200 ? 0.1083 0.1242 0.0818 0.0213 -0.0224 -0.0503 280 CYS A C 1551 O O . CYS A 200 ? 0.1240 0.1628 0.1126 0.0390 -0.0297 -0.0300 280 CYS A O 1552 C CB . CYS A 200 ? 0.1162 0.1536 0.1233 0.0080 -0.0080 -0.0419 280 CYS A CB 1553 S SG . CYS A 200 ? 0.1461 0.1581 0.1349 0.0213 -0.0066 -0.0135 280 CYS A SG 1554 N N . TYR A 201 ? 0.1137 0.1053 0.0973 0.0106 -0.0024 -0.0395 281 TYR A N 1555 C CA . TYR A 201 ? 0.1204 0.1041 0.0956 0.0198 -0.0096 -0.0130 281 TYR A CA 1556 C C . TYR A 201 ? 0.1336 0.1259 0.1133 0.0140 -0.0113 -0.0060 281 TYR A C 1557 O O . TYR A 201 ? 0.1603 0.1372 0.0948 0.0029 -0.0114 0.0320 281 TYR A O 1558 C CB . TYR A 201 ? 0.0982 0.1165 0.1098 0.0038 0.0014 0.0233 281 TYR A CB 1559 C CG . TYR A 201 ? 0.0980 0.1121 0.1121 0.0243 -0.0138 0.0218 281 TYR A CG 1560 C CD1 . TYR A 201 ? 0.1084 0.1304 0.1226 0.0151 0.0270 0.0195 281 TYR A CD1 1561 C CD2 . TYR A 201 ? 0.1151 0.1103 0.1365 0.0028 -0.0284 0.0124 281 TYR A CD2 1562 C CE1 . TYR A 201 ? 0.1082 0.1209 0.1242 0.0094 -0.0100 0.0202 281 TYR A CE1 1563 C CE2 . TYR A 201 ? 0.1105 0.1143 0.1594 0.0212 0.0041 0.0040 281 TYR A CE2 1564 C CZ . TYR A 201 ? 0.1138 0.1233 0.1318 0.0035 0.0091 0.0108 281 TYR A CZ 1565 O OH . TYR A 201 ? 0.1313 0.1349 0.1737 0.0111 -0.0202 -0.0025 281 TYR A OH 1566 N N . PRO A 202 ? 0.1285 0.1291 0.0929 0.0391 -0.0193 -0.0281 282 PRO A N 1567 C CA . PRO A 202 ? 0.1432 0.1406 0.0893 0.0316 -0.0245 -0.0173 282 PRO A CA 1568 C C . PRO A 202 ? 0.1529 0.1411 0.0627 0.0160 -0.0189 -0.0135 282 PRO A C 1569 O O . PRO A 202 ? 0.1805 0.1454 0.1198 0.0041 -0.0054 -0.0091 282 PRO A O 1570 C CB . PRO A 202 ? 0.1406 0.1287 0.1421 0.0472 -0.0233 -0.0324 282 PRO A CB 1571 C CG . PRO A 202 ? 0.1493 0.1225 0.1162 0.0312 -0.0175 -0.0400 282 PRO A CG 1572 C CD . PRO A 202 ? 0.1306 0.1350 0.1056 0.0421 -0.0027 -0.0318 282 PRO A CD 1573 N N . ASN A 203 ? 0.1307 0.1563 0.0973 0.0229 -0.0355 -0.0377 283 ASN A N 1574 C CA . ASN A 203 ? 0.1503 0.1753 0.0993 0.0334 -0.0433 -0.0305 283 ASN A CA 1575 C C . ASN A 203 ? 0.1670 0.1922 0.0949 0.0385 -0.0467 -0.0436 283 ASN A C 1576 O O . ASN A 203 ? 0.1714 0.1918 0.1393 0.0433 -0.0395 0.0085 283 ASN A O 1577 C CB . ASN A 203 ? 0.1456 0.1804 0.1068 0.0305 -0.0322 -0.0386 283 ASN A CB 1578 C CG . ASN A 203 ? 0.1573 0.1683 0.1145 0.0273 -0.0184 -0.0264 283 ASN A CG 1579 O OD1 . ASN A 203 ? 0.1654 0.1668 0.1314 0.0264 -0.0139 -0.0096 283 ASN A OD1 1580 N ND2 . ASN A 203 ? 0.1387 0.1575 0.1511 0.0218 -0.0457 -0.0119 283 ASN A ND2 1581 N N . LEU A 204 ? 0.1756 0.2034 0.1037 0.0172 -0.0580 -0.0568 284 LEU A N 1582 C CA . LEU A 204 ? 0.1962 0.2283 0.1218 0.0196 -0.0855 -0.0343 284 LEU A CA 1583 C C . LEU A 204 ? 0.2002 0.2140 0.1361 0.0027 -0.0719 -0.0208 284 LEU A C 1584 O O . LEU A 204 ? 0.2159 0.2163 0.1856 -0.0244 -0.0652 0.0069 284 LEU A O 1585 C CB . LEU A 204 ? 0.2355 0.2717 0.1583 0.0447 -0.1140 -0.0409 284 LEU A CB 1586 C CG . LEU A 204 ? 0.2772 0.2984 0.2855 0.0726 -0.1108 -0.0182 284 LEU A CG 1587 C CD1 . LEU A 204 ? 0.2960 0.3069 0.3137 0.0829 -0.1202 -0.0126 284 LEU A CD1 1588 C CD2 . LEU A 204 ? 0.2719 0.2963 0.3384 0.0883 -0.1335 -0.0006 284 LEU A CD2 1589 N N . GLY A 205 ? 0.2011 0.1984 0.1037 -0.0223 -0.0349 -0.0339 285 GLY A N 1590 C CA . GLY A 205 ? 0.2173 0.1828 0.1470 -0.0242 -0.0279 -0.0270 285 GLY A CA 1591 C C . GLY A 205 ? 0.2244 0.1746 0.1519 0.0024 -0.0367 -0.0052 285 GLY A C 1592 O O . GLY A 205 ? 0.2460 0.1725 0.1750 0.0149 -0.0406 0.0377 285 GLY A O 1593 N N . LYS A 206 ? 0.2148 0.1774 0.1204 0.0273 -0.0619 -0.0093 286 LYS A N 1594 C CA . LYS A 206 ? 0.2135 0.1891 0.1333 0.0472 -0.0581 0.0107 286 LYS A CA 1595 C C . LYS A 206 ? 0.1987 0.1742 0.1201 0.0259 -0.0305 0.0016 286 LYS A C 1596 O O . LYS A 206 ? 0.2036 0.1685 0.1627 0.0337 -0.0369 -0.0117 286 LYS A O 1597 C CB . LYS A 206 ? 0.2328 0.2238 0.1532 0.0672 -0.0584 0.0136 286 LYS A CB 1598 C CG . LYS A 206 ? 0.2543 0.2742 0.2164 0.0801 -0.1207 0.0085 286 LYS A CG 1599 C CD . LYS A 206 ? 0.2812 0.3059 0.2876 0.0871 -0.1186 -0.0003 286 LYS A CD 1600 C CE . LYS A 206 ? 0.3025 0.3369 0.3190 0.0823 -0.1454 -0.0182 286 LYS A CE 1601 N NZ . LYS A 206 ? 0.3273 0.3583 0.3633 0.0800 -0.1476 -0.0223 286 LYS A NZ 1602 N N . VAL A 207 ? 0.1853 0.1583 0.0691 0.0156 -0.0079 0.0083 287 VAL A N 1603 C CA . VAL A 207 ? 0.1537 0.1605 0.0839 0.0156 0.0019 -0.0064 287 VAL A CA 1604 C C . VAL A 207 ? 0.1408 0.1495 0.0906 0.0194 0.0261 -0.0127 287 VAL A C 1605 O O . VAL A 207 ? 0.1411 0.1575 0.1315 0.0119 0.0215 -0.0080 287 VAL A O 1606 C CB . VAL A 207 ? 0.1635 0.1764 0.0675 0.0082 0.0047 0.0118 287 VAL A CB 1607 C CG1 . VAL A 207 ? 0.1795 0.1770 0.0760 0.0282 -0.0259 0.0318 287 VAL A CG1 1608 C CG2 . VAL A 207 ? 0.1623 0.2007 0.1109 0.0107 0.0119 -0.0216 287 VAL A CG2 1609 N N . GLU A 208 ? 0.1219 0.1292 0.1011 0.0112 0.0185 0.0182 288 GLU A N 1610 C CA . GLU A 208 ? 0.1321 0.1364 0.0753 -0.0093 -0.0047 0.0083 288 GLU A CA 1611 C C . GLU A 208 ? 0.1174 0.1165 0.0867 0.0032 -0.0383 0.0167 288 GLU A C 1612 O O . GLU A 208 ? 0.1228 0.1194 0.1079 0.0019 -0.0461 0.0084 288 GLU A O 1613 C CB . GLU A 208 ? 0.1611 0.1503 0.0736 -0.0194 -0.0129 0.0131 288 GLU A CB 1614 C CG . GLU A 208 ? 0.1697 0.1660 0.0731 -0.0229 -0.0475 -0.0034 288 GLU A CG 1615 C CD . GLU A 208 ? 0.1684 0.1689 0.0948 -0.0192 -0.0329 0.0066 288 GLU A CD 1616 O OE1 . GLU A 208 ? 0.1511 0.1577 0.0893 -0.0055 0.0037 -0.0064 288 GLU A OE1 1617 O OE2 . GLU A 208 ? 0.1993 0.1725 0.1292 -0.0272 -0.0284 0.0127 288 GLU A OE2 1618 N N . CYS A 209 ? 0.1124 0.1359 0.0580 -0.0007 -0.0187 -0.0129 289 CYS A N 1619 C CA . CYS A 209 ? 0.1035 0.1361 0.0711 -0.0013 -0.0164 0.0098 289 CYS A CA 1620 C C . CYS A 209 ? 0.1164 0.1428 0.0946 0.0020 0.0020 -0.0035 289 CYS A C 1621 O O . CYS A 209 ? 0.1377 0.1682 0.1191 0.0185 -0.0035 -0.0025 289 CYS A O 1622 C CB . CYS A 209 ? 0.1187 0.1351 0.1348 0.0039 -0.0066 -0.0076 289 CYS A CB 1623 S SG . CYS A 209 ? 0.1584 0.1613 0.1609 0.0162 0.0115 -0.0051 289 CYS A SG 1624 N N . VAL A 210 ? 0.1107 0.1164 0.0746 -0.0071 -0.0009 -0.0097 290 VAL A N 1625 C CA . VAL A 210 ? 0.1064 0.1043 0.0941 -0.0070 0.0030 -0.0333 290 VAL A CA 1626 C C . VAL A 210 ? 0.1060 0.1089 0.1051 0.0046 -0.0041 -0.0169 290 VAL A C 1627 O O . VAL A 210 ? 0.0949 0.1274 0.1450 0.0064 -0.0134 0.0116 290 VAL A O 1628 C CB . VAL A 210 ? 0.1173 0.1255 0.1105 -0.0016 -0.0012 -0.0435 290 VAL A CB 1629 C CG1 . VAL A 210 ? 0.1227 0.1516 0.1433 -0.0004 0.0185 -0.0216 290 VAL A CG1 1630 C CG2 . VAL A 210 ? 0.1357 0.1293 0.1333 0.0164 -0.0279 -0.0248 290 VAL A CG2 1631 N N . CYS A 211 ? 0.1050 0.1233 0.0692 -0.0060 -0.0097 -0.0127 291 CYS A N 1632 C CA . CYS A 211 ? 0.1164 0.1287 0.0711 -0.0118 -0.0269 0.0098 291 CYS A CA 1633 C C . CYS A 211 ? 0.1039 0.1188 0.0950 -0.0072 -0.0129 -0.0090 291 CYS A C 1634 O O . CYS A 211 ? 0.1023 0.1135 0.1092 0.0016 -0.0032 -0.0009 291 CYS A O 1635 C CB . CYS A 211 ? 0.1610 0.1444 0.0841 -0.0174 -0.0177 0.0290 291 CYS A CB 1636 S SG . CYS A 211 ? 0.1900 0.1760 0.1350 -0.0289 -0.0025 0.0178 291 CYS A SG 1637 N N . ARG A 212 ? 0.1065 0.1040 0.0681 0.0161 -0.0007 -0.0101 292 ARG A N 1638 C CA . ARG A 212 ? 0.0945 0.0963 0.0944 0.0159 -0.0176 -0.0102 292 ARG A CA 1639 C C . ARG A 212 ? 0.1050 0.1030 0.1351 0.0252 -0.0031 -0.0256 292 ARG A C 1640 O O . ARG A 212 ? 0.1190 0.0882 0.1365 0.0263 0.0138 -0.0175 292 ARG A O 1641 C CB . ARG A 212 ? 0.0940 0.1188 0.0803 0.0313 -0.0056 -0.0184 292 ARG A CB 1642 C CG . ARG A 212 ? 0.0992 0.1243 0.0755 0.0171 -0.0449 -0.0168 292 ARG A CG 1643 C CD . ARG A 212 ? 0.0904 0.1215 0.0839 0.0137 -0.0741 -0.0103 292 ARG A CD 1644 N NE . ARG A 212 ? 0.0916 0.1159 0.0883 -0.0129 -0.0488 -0.0097 292 ARG A NE 1645 C CZ . ARG A 212 ? 0.0985 0.1123 0.0872 -0.0008 -0.0160 -0.0217 292 ARG A CZ 1646 N NH1 . ARG A 212 ? 0.0895 0.1135 0.1018 -0.0174 0.0068 -0.0164 292 ARG A NH1 1647 N NH2 . ARG A 212 ? 0.1030 0.1014 0.0988 -0.0168 -0.0004 -0.0309 292 ARG A NH2 1648 N N . ASP A 213 ? 0.1134 0.1033 0.1240 0.0136 -0.0023 -0.0165 293 ASP A N 1649 C CA . ASP A 213 ? 0.1041 0.1114 0.1140 0.0313 -0.0055 -0.0363 293 ASP A CA 1650 C C . ASP A 213 ? 0.1145 0.1142 0.1227 0.0182 -0.0087 -0.0418 293 ASP A C 1651 O O . ASP A 213 ? 0.1152 0.1201 0.1617 0.0214 0.0081 -0.0454 293 ASP A O 1652 C CB . ASP A 213 ? 0.1005 0.1164 0.1413 0.0344 -0.0172 -0.0539 293 ASP A CB 1653 C CG . ASP A 213 ? 0.1207 0.1304 0.1709 0.0258 -0.0117 -0.0348 293 ASP A CG 1654 O OD1 . ASP A 213 ? 0.1276 0.1312 0.1569 0.0274 -0.0097 -0.0498 293 ASP A OD1 1655 O OD2 . ASP A 213 ? 0.1377 0.1195 0.1918 0.0430 -0.0005 -0.0352 293 ASP A OD2 1656 N N . ASN A 214 ? 0.1123 0.1112 0.0920 0.0359 -0.0232 -0.0479 294 ASN A N 1657 C CA . ASN A 214 ? 0.0973 0.1107 0.0930 0.0210 -0.0173 -0.0391 294 ASN A CA 1658 C C . ASN A 214 ? 0.1168 0.1154 0.1119 0.0046 -0.0075 -0.0335 294 ASN A C 1659 O O . ASN A 214 ? 0.1279 0.1274 0.0949 0.0077 0.0250 -0.0412 294 ASN A O 1660 C CB . ASN A 214 ? 0.0945 0.1112 0.1152 0.0274 -0.0157 -0.0382 294 ASN A CB 1661 C CG . ASN A 214 ? 0.1114 0.1427 0.1452 0.0167 0.0042 -0.0528 294 ASN A CG 1662 O OD1 . ASN A 214 ? 0.1283 0.1642 0.1341 0.0047 0.0363 -0.0294 294 ASN A OD1 1663 N ND2 . ASN A 214 ? 0.1140 0.1602 0.1602 0.0247 0.0116 -0.0612 294 ASN A ND2 1664 N N . TRP A 215 ? 0.1101 0.1037 0.1605 0.0303 0.0157 -0.0068 295 TRP A N 1665 C CA . TRP A 215 ? 0.1205 0.1100 0.1562 0.0253 0.0241 0.0031 295 TRP A CA 1666 C C . TRP A 215 ? 0.1136 0.1280 0.1877 0.0273 0.0273 -0.0202 295 TRP A C 1667 O O . TRP A 215 ? 0.1258 0.1522 0.2301 0.0303 0.0308 -0.0212 295 TRP A O 1668 C CB . TRP A 215 ? 0.1338 0.0985 0.1610 0.0222 0.0433 -0.0050 295 TRP A CB 1669 C CG . TRP A 215 ? 0.1379 0.0958 0.1488 0.0254 0.0216 -0.0005 295 TRP A CG 1670 C CD1 . TRP A 215 ? 0.1498 0.0890 0.1849 0.0356 0.0289 0.0038 295 TRP A CD1 1671 C CD2 . TRP A 215 ? 0.1416 0.1049 0.1654 0.0186 0.0262 0.0078 295 TRP A CD2 1672 N NE1 . TRP A 215 ? 0.1686 0.1041 0.1864 0.0140 0.0408 0.0392 295 TRP A NE1 1673 C CE2 . TRP A 215 ? 0.1631 0.1043 0.1902 0.0189 0.0119 0.0440 295 TRP A CE2 1674 C CE3 . TRP A 215 ? 0.1392 0.1231 0.2001 0.0233 0.0083 -0.0001 295 TRP A CE3 1675 C CZ2 . TRP A 215 ? 0.1498 0.1143 0.2140 0.0284 0.0012 0.0330 295 TRP A CZ2 1676 C CZ3 . TRP A 215 ? 0.1339 0.0940 0.2214 0.0213 0.0240 -0.0065 295 TRP A CZ3 1677 C CH2 . TRP A 215 ? 0.1400 0.1073 0.2317 0.0293 0.0207 -0.0060 295 TRP A CH2 1678 N N . ASN A 216 ? 0.0930 0.1321 0.1844 0.0235 0.0320 -0.0298 296 ASN A N 1679 C CA . ASN A 216 ? 0.1186 0.1364 0.2030 0.0251 0.0305 -0.0282 296 ASN A CA 1680 C C . ASN A 216 ? 0.1209 0.1461 0.1807 0.0186 0.0219 -0.0390 296 ASN A C 1681 O O . ASN A 216 ? 0.1284 0.1728 0.1771 0.0047 0.0507 -0.0402 296 ASN A O 1682 C CB . ASN A 216 ? 0.1388 0.1254 0.2418 0.0376 0.0278 -0.0068 296 ASN A CB 1683 C CG . ASN A 216 ? 0.1585 0.1411 0.2840 0.0178 0.0234 0.0018 296 ASN A CG 1684 O OD1 . ASN A 216 ? 0.1645 0.1506 0.3418 0.0186 0.0116 -0.0091 296 ASN A OD1 1685 N ND2 . ASN A 216 ? 0.1674 0.1488 0.2494 0.0114 0.0856 0.0013 296 ASN A ND2 1686 N N . GLY A 217 ? 0.1314 0.1364 0.1605 0.0121 -0.0069 -0.0463 297 GLY A N 1687 C CA . GLY A 217 ? 0.1428 0.1215 0.1855 0.0169 0.0165 -0.0289 297 GLY A CA 1688 C C . GLY A 217 ? 0.1319 0.1348 0.2058 0.0127 0.0295 -0.0188 297 GLY A C 1689 O O . GLY A 217 ? 0.1295 0.1342 0.1980 0.0098 0.0188 -0.0202 297 GLY A O 1690 N N . MET A 218 ? 0.1162 0.1021 0.1662 -0.0151 0.0216 0.0085 298 MET A N 1691 C CA . MET A 218 ? 0.1093 0.1254 0.1598 -0.0033 0.0325 0.0106 298 MET A CA 1692 C C . MET A 218 ? 0.1186 0.1174 0.1629 0.0077 0.0043 0.0144 298 MET A C 1693 O O . MET A 218 ? 0.1271 0.1226 0.1664 0.0296 -0.0081 0.0351 298 MET A O 1694 C CB . MET A 218 ? 0.1071 0.1410 0.1776 -0.0121 0.0466 0.0109 298 MET A CB 1695 C CG . MET A 218 ? 0.1004 0.1447 0.2073 -0.0119 0.0493 -0.0047 298 MET A CG 1696 S SD . MET A 218 ? 0.1333 0.1716 0.2193 0.0048 0.0477 0.0008 298 MET A SD 1697 C CE . MET A 218 ? 0.1357 0.1737 0.2426 0.0228 0.0294 0.0117 298 MET A CE 1698 N N . ASN A 219 ? 0.1263 0.1497 0.1583 0.0111 0.0058 -0.0096 299 ASN A N 1699 C CA . ASN A 219 ? 0.1176 0.1466 0.1531 0.0282 0.0051 -0.0162 299 ASN A CA 1700 C C . ASN A 219 ? 0.0974 0.1390 0.1497 0.0272 0.0104 -0.0269 299 ASN A C 1701 O O . ASN A 219 ? 0.0986 0.1344 0.1430 0.0259 -0.0057 -0.0482 299 ASN A O 1702 C CB . ASN A 219 ? 0.1336 0.1633 0.1656 0.0512 0.0137 -0.0065 299 ASN A CB 1703 C CG . ASN A 219 ? 0.1159 0.1776 0.1657 0.0526 -0.0049 0.0170 299 ASN A CG 1704 O OD1 . ASN A 219 ? 0.1239 0.1797 0.1945 0.0498 0.0009 -0.0022 299 ASN A OD1 1705 N ND2 . ASN A 219 ? 0.1068 0.1780 0.1713 0.0551 0.0034 0.0251 299 ASN A ND2 1706 N N . ARG A 220 ? 0.0702 0.1371 0.1520 0.0306 0.0243 -0.0151 300 ARG A N 1707 C CA . ARG A 220 ? 0.0692 0.1167 0.1359 0.0330 -0.0029 0.0072 300 ARG A CA 1708 C C . ARG A 220 ? 0.0811 0.1159 0.1387 0.0155 -0.0103 0.0038 300 ARG A C 1709 O O . ARG A 220 ? 0.0751 0.1477 0.1595 0.0131 -0.0160 0.0035 300 ARG A O 1710 C CB . ARG A 220 ? 0.0810 0.0907 0.1294 0.0519 -0.0350 0.0081 300 ARG A CB 1711 C CG . ARG A 220 ? 0.0956 0.0755 0.1127 0.0576 -0.0381 0.0259 300 ARG A CG 1712 C CD . ARG A 220 ? 0.0968 0.0683 0.1463 0.0439 -0.0459 0.0324 300 ARG A CD 1713 N NE . ARG A 220 ? 0.1121 0.0969 0.1426 0.0279 -0.0240 0.0259 300 ARG A NE 1714 C CZ . ARG A 220 ? 0.0945 0.0895 0.1343 0.0394 -0.0415 0.0267 300 ARG A CZ 1715 N NH1 . ARG A 220 ? 0.0948 0.0982 0.1229 0.0417 -0.0006 0.0193 300 ARG A NH1 1716 N NH2 . ARG A 220 ? 0.1044 0.0734 0.1336 0.0671 -0.0064 0.0137 300 ARG A NH2 1717 N N . PRO A 221 ? 0.0915 0.1036 0.1184 0.0093 -0.0133 0.0043 301 PRO A N 1718 C CA . PRO A 221 ? 0.1096 0.1203 0.1243 -0.0110 0.0019 -0.0170 301 PRO A CA 1719 C C . PRO A 221 ? 0.1167 0.1463 0.1505 0.0086 0.0156 0.0103 301 PRO A C 1720 O O . PRO A 221 ? 0.1162 0.1514 0.1547 0.0080 0.0027 0.0378 301 PRO A O 1721 C CB . PRO A 221 ? 0.1273 0.1349 0.1522 -0.0195 -0.0067 -0.0074 301 PRO A CB 1722 C CG . PRO A 221 ? 0.1404 0.1322 0.1412 -0.0143 -0.0110 -0.0033 301 PRO A CG 1723 C CD . PRO A 221 ? 0.1124 0.0829 0.1295 -0.0180 -0.0329 0.0134 301 PRO A CD 1724 N N . ILE A 222 ? 0.1358 0.1596 0.1194 0.0134 0.0353 0.0130 302 ILE A N 1725 C CA . ILE A 222 ? 0.1523 0.1737 0.1350 0.0155 0.0184 -0.0013 302 ILE A CA 1726 C C . ILE A 222 ? 0.1505 0.1715 0.1393 0.0319 0.0275 0.0249 302 ILE A C 1727 O O . ILE A 222 ? 0.1706 0.1789 0.1713 0.0517 0.0631 0.0553 302 ILE A O 1728 C CB . ILE A 222 ? 0.1953 0.2084 0.1677 -0.0140 0.0285 -0.0339 302 ILE A CB 1729 C CG1 . ILE A 222 ? 0.2167 0.2445 0.1973 0.0113 0.0210 -0.0193 302 ILE A CG1 1730 C CG2 . ILE A 222 ? 0.2060 0.2150 0.2049 -0.0032 0.0303 -0.0523 302 ILE A CG2 1731 C CD1 . ILE A 222 ? 0.2229 0.2610 0.2179 0.0164 0.0388 -0.0063 302 ILE A CD1 1732 N N . LEU A 223 ? 0.1402 0.1502 0.1125 0.0284 0.0314 0.0057 303 LEU A N 1733 C CA . LEU A 223 ? 0.1442 0.1475 0.1122 0.0167 0.0026 -0.0003 303 LEU A CA 1734 C C . LEU A 223 ? 0.1376 0.1496 0.1037 0.0301 0.0087 0.0072 303 LEU A C 1735 O O . LEU A 223 ? 0.1568 0.1534 0.1179 0.0449 0.0205 -0.0065 303 LEU A O 1736 C CB . LEU A 223 ? 0.1367 0.1416 0.1399 -0.0038 -0.0011 0.0040 303 LEU A CB 1737 C CG . LEU A 223 ? 0.1506 0.1483 0.1467 -0.0053 -0.0306 0.0352 303 LEU A CG 1738 C CD1 . LEU A 223 ? 0.1722 0.1573 0.1329 -0.0031 -0.0191 0.0597 303 LEU A CD1 1739 C CD2 . LEU A 223 ? 0.1431 0.1608 0.1546 0.0144 -0.0386 0.0088 303 LEU A CD2 1740 N N . ILE A 224 ? 0.1220 0.1559 0.0817 0.0199 0.0055 0.0173 304 ILE A N 1741 C CA . ILE A 224 ? 0.1221 0.1455 0.0849 0.0095 -0.0085 0.0151 304 ILE A CA 1742 C C . ILE A 224 ? 0.1198 0.1391 0.1281 0.0021 0.0025 0.0024 304 ILE A C 1743 O O . ILE A 224 ? 0.1405 0.1344 0.1862 0.0179 0.0335 0.0326 304 ILE A O 1744 C CB . ILE A 224 ? 0.1200 0.1675 0.0878 0.0145 0.0129 -0.0067 304 ILE A CB 1745 C CG1 . ILE A 224 ? 0.1398 0.1808 0.1666 -0.0188 -0.0186 -0.0217 304 ILE A CG1 1746 C CG2 . ILE A 224 ? 0.1307 0.1917 0.1072 0.0223 0.0165 -0.0050 304 ILE A CG2 1747 C CD1 . ILE A 224 ? 0.1599 0.2141 0.2573 -0.0174 -0.0046 -0.0118 304 ILE A CD1 1748 N N . PHE A 225 ? 0.1249 0.1301 0.1272 -0.0143 -0.0069 0.0106 305 PHE A N 1749 C CA . PHE A 225 ? 0.1284 0.1318 0.1101 -0.0068 -0.0119 0.0217 305 PHE A CA 1750 C C . PHE A 225 ? 0.1585 0.1502 0.1201 -0.0109 -0.0154 0.0121 305 PHE A C 1751 O O . PHE A 225 ? 0.1647 0.1425 0.1414 -0.0100 -0.0209 0.0280 305 PHE A O 1752 C CB . PHE A 225 ? 0.1366 0.1234 0.1280 0.0016 -0.0426 0.0255 305 PHE A CB 1753 C CG . PHE A 225 ? 0.1341 0.1414 0.1378 0.0175 -0.0519 0.0213 305 PHE A CG 1754 C CD1 . PHE A 225 ? 0.1429 0.1512 0.1818 0.0326 -0.0533 0.0156 305 PHE A CD1 1755 C CD2 . PHE A 225 ? 0.1278 0.1311 0.1448 0.0169 -0.0601 0.0382 305 PHE A CD2 1756 C CE1 . PHE A 225 ? 0.1690 0.1448 0.1592 0.0249 -0.0472 0.0093 305 PHE A CE1 1757 C CE2 . PHE A 225 ? 0.1404 0.1409 0.1500 0.0097 -0.0371 0.0143 305 PHE A CE2 1758 C CZ . PHE A 225 ? 0.1601 0.1440 0.1622 0.0124 -0.0361 0.0239 305 PHE A CZ 1759 N N . ASP A 226 ? 0.1743 0.1598 0.1123 -0.0144 0.0054 0.0054 306 ASP A N 1760 C CA . ASP A 226 ? 0.1594 0.1797 0.1088 -0.0027 0.0023 0.0077 306 ASP A CA 1761 C C . ASP A 226 ? 0.1513 0.1816 0.0860 0.0071 -0.0002 0.0170 306 ASP A C 1762 O O . ASP A 226 ? 0.1457 0.1842 0.0911 0.0224 -0.0236 -0.0010 306 ASP A O 1763 C CB . ASP A 226 ? 0.1682 0.1824 0.1496 0.0228 -0.0275 0.0386 306 ASP A CB 1764 C CG . ASP A 226 ? 0.1726 0.1874 0.1842 0.0367 -0.0672 0.0295 306 ASP A CG 1765 O OD1 . ASP A 226 ? 0.1948 0.1778 0.1781 0.0393 -0.0336 0.0076 306 ASP A OD1 1766 O OD2 . ASP A 226 ? 0.1731 0.1947 0.2588 0.0475 -0.0727 0.0455 306 ASP A OD2 1767 N N . GLU A 227 ? 0.1631 0.1824 0.1024 0.0204 0.0175 0.0347 308 GLU A N 1768 C CA . GLU A 227 ? 0.1533 0.1988 0.0861 0.0038 -0.0146 0.0308 308 GLU A CA 1769 C C . GLU A 227 ? 0.1539 0.1956 0.1189 0.0247 -0.0232 0.0065 308 GLU A C 1770 O O . GLU A 227 ? 0.1641 0.2117 0.1770 0.0303 -0.0469 0.0007 308 GLU A O 1771 C CB . GLU A 227 ? 0.1838 0.2355 0.1016 0.0010 -0.0183 0.0275 308 GLU A CB 1772 C CG . GLU A 227 ? 0.2223 0.2980 0.1302 -0.0280 -0.0425 -0.0027 308 GLU A CG 1773 C CD . GLU A 227 ? 0.2725 0.3648 0.2313 -0.0423 -0.0668 -0.0123 308 GLU A CD 1774 O OE1 . GLU A 227 ? 0.3069 0.3858 0.2628 -0.0585 -0.0910 -0.0144 308 GLU A OE1 1775 O OE2 . GLU A 227 ? 0.2908 0.3955 0.2473 -0.0269 -0.0617 -0.0411 308 GLU A OE2 1776 N N . ASP A 228 ? 0.1674 0.1933 0.1150 0.0222 -0.0578 0.0070 309 ASP A N 1777 C CA . ASP A 228 ? 0.1589 0.1915 0.1239 0.0236 -0.0496 0.0177 309 ASP A CA 1778 C C . ASP A 228 ? 0.1444 0.1674 0.1113 0.0171 -0.0449 0.0118 309 ASP A C 1779 O O . ASP A 228 ? 0.1713 0.1544 0.1308 0.0158 -0.0147 0.0015 309 ASP A O 1780 C CB . ASP A 228 ? 0.1776 0.2229 0.0775 0.0116 -0.0573 0.0084 309 ASP A CB 1781 C CG . ASP A 228 ? 0.1963 0.2681 0.1544 0.0088 -0.0424 0.0299 309 ASP A CG 1782 O OD1 . ASP A 228 ? 0.2182 0.2770 0.1885 0.0015 -0.0098 0.0352 309 ASP A OD1 1783 O OD2 . ASP A 228 ? 0.1908 0.3024 0.1719 -0.0131 -0.0442 0.0020 309 ASP A OD2 1784 N N . LEU A 229 ? 0.1237 0.1788 0.1128 0.0201 -0.0301 0.0387 310 LEU A N 1785 C CA . LEU A 229 ? 0.1232 0.1632 0.1347 0.0254 -0.0317 0.0126 310 LEU A CA 1786 C C . LEU A 229 ? 0.1510 0.1788 0.1442 0.0379 -0.0387 0.0174 310 LEU A C 1787 O O . LEU A 229 ? 0.1626 0.1872 0.1940 0.0415 -0.0295 -0.0043 310 LEU A O 1788 C CB . LEU A 229 ? 0.1201 0.1524 0.1346 0.0181 -0.0189 0.0308 310 LEU A CB 1789 C CG . LEU A 229 ? 0.1354 0.1304 0.1679 0.0136 -0.0143 0.0476 310 LEU A CG 1790 C CD1 . LEU A 229 ? 0.1327 0.1369 0.1457 0.0190 -0.0301 0.0218 310 LEU A CD1 1791 C CD2 . LEU A 229 ? 0.1475 0.1157 0.1956 0.0043 0.0098 0.0546 310 LEU A CD2 1792 N N . ASP A 230 ? 0.1560 0.1879 0.1472 0.0251 -0.0536 0.0678 311 ASP A N 1793 C CA . ASP A 230 ? 0.1717 0.1895 0.1471 0.0167 -0.0375 0.0736 311 ASP A CA 1794 C C . ASP A 230 ? 0.1503 0.1550 0.1390 0.0118 -0.0095 0.0243 311 ASP A C 1795 O O . ASP A 230 ? 0.1521 0.1568 0.1606 0.0328 0.0092 0.0153 311 ASP A O 1796 C CB . ASP A 230 ? 0.2053 0.2250 0.1210 0.0062 -0.0485 0.1216 311 ASP A CB 1797 C CG . ASP A 230 ? 0.2583 0.2769 0.2175 -0.0109 -0.0688 0.0882 311 ASP A CG 1798 O OD1 . ASP A 230 ? 0.2943 0.3114 0.2828 -0.0068 -0.0915 0.0865 311 ASP A OD1 1799 O OD2 . ASP A 230 ? 0.2797 0.2857 0.2007 -0.0170 -0.0362 0.0816 311 ASP A OD2 1800 N N . TYR A 231 ? 0.1490 0.1522 0.1452 -0.0020 -0.0135 0.0305 312 TYR A N 1801 C CA . TYR A 231 ? 0.1451 0.1563 0.1692 0.0180 -0.0128 0.0184 312 TYR A CA 1802 C C . TYR A 231 ? 0.1383 0.1736 0.1830 0.0266 -0.0336 0.0086 312 TYR A C 1803 O O . TYR A 231 ? 0.1459 0.1804 0.2001 0.0329 -0.0434 0.0179 312 TYR A O 1804 C CB . TYR A 231 ? 0.1433 0.1419 0.1473 0.0123 -0.0201 0.0028 312 TYR A CB 1805 C CG . TYR A 231 ? 0.1501 0.1428 0.1285 -0.0009 -0.0127 0.0087 312 TYR A CG 1806 C CD1 . TYR A 231 ? 0.1525 0.1597 0.1225 0.0028 -0.0195 0.0257 312 TYR A CD1 1807 C CD2 . TYR A 231 ? 0.1440 0.1284 0.1252 -0.0109 0.0110 -0.0016 312 TYR A CD2 1808 C CE1 . TYR A 231 ? 0.1640 0.1615 0.1308 0.0001 -0.0305 -0.0046 312 TYR A CE1 1809 C CE2 . TYR A 231 ? 0.1579 0.1542 0.1583 0.0113 0.0014 -0.0067 312 TYR A CE2 1810 C CZ . TYR A 231 ? 0.1775 0.1610 0.1356 0.0180 -0.0236 -0.0028 312 TYR A CZ 1811 O OH . TYR A 231 ? 0.1789 0.1517 0.1861 0.0370 -0.0284 0.0118 312 TYR A OH 1812 N N . GLU A 232 ? 0.1275 0.1839 0.1391 0.0177 -0.0042 0.0272 313 GLU A N 1813 C CA . GLU A 232 ? 0.1568 0.2191 0.1517 0.0230 0.0021 0.0028 313 GLU A CA 1814 C C . GLU A 232 ? 0.1543 0.1855 0.1404 0.0224 -0.0031 0.0118 313 GLU A C 1815 O O . GLU A 232 ? 0.1558 0.1679 0.1538 0.0359 -0.0086 0.0178 313 GLU A O 1816 C CB . GLU A 232 ? 0.1905 0.2994 0.2047 0.0085 -0.0285 -0.0279 313 GLU A CB 1817 C CG . GLU A 232 ? 0.2352 0.3749 0.3458 0.0025 -0.0207 -0.0559 313 GLU A CG 1818 C CD . GLU A 232 ? 0.2773 0.4431 0.4640 -0.0007 -0.0337 -0.0800 313 GLU A CD 1819 O OE1 . GLU A 232 ? 0.2937 0.4738 0.5168 -0.0127 -0.0332 -0.0810 313 GLU A OE1 1820 O OE2 . GLU A 232 ? 0.3016 0.4641 0.4882 0.0040 -0.0525 -0.0886 313 GLU A OE2 1821 N N . VAL A 233 ? 0.1542 0.1590 0.1112 0.0234 -0.0043 0.0199 314 VAL A N 1822 C CA . VAL A 233 ? 0.1425 0.1440 0.1186 0.0121 -0.0137 0.0272 314 VAL A CA 1823 C C . VAL A 233 ? 0.1406 0.1515 0.1257 0.0424 -0.0169 0.0339 314 VAL A C 1824 O O . VAL A 233 ? 0.1482 0.1760 0.1565 0.0675 -0.0082 0.0560 314 VAL A O 1825 C CB . VAL A 233 ? 0.1287 0.1252 0.1348 0.0153 -0.0320 0.0287 314 VAL A CB 1826 C CG1 . VAL A 233 ? 0.1367 0.0997 0.2003 0.0254 -0.0076 0.0188 314 VAL A CG1 1827 C CG2 . VAL A 233 ? 0.1355 0.1357 0.1548 0.0056 -0.0197 0.0282 314 VAL A CG2 1828 N N . GLY A 234 ? 0.1397 0.1578 0.1042 0.0293 0.0014 0.0185 315 GLY A N 1829 C CA . GLY A 234 ? 0.1453 0.1453 0.1132 0.0277 0.0042 0.0555 315 GLY A CA 1830 C C . GLY A 234 ? 0.1480 0.1466 0.1429 0.0198 0.0081 0.0176 315 GLY A C 1831 O O . GLY A 234 ? 0.1423 0.1389 0.1569 0.0218 0.0147 0.0165 315 GLY A O 1832 N N . TYR A 235 ? 0.1358 0.1466 0.1346 0.0033 0.0035 0.0197 316 TYR A N 1833 C CA . TYR A 235 ? 0.1310 0.1307 0.1151 0.0105 -0.0099 0.0214 316 TYR A CA 1834 C C . TYR A 235 ? 0.1246 0.1388 0.1489 0.0061 -0.0361 0.0213 316 TYR A C 1835 O O . TYR A 235 ? 0.1251 0.1440 0.1888 -0.0002 -0.0538 0.0325 316 TYR A O 1836 C CB . TYR A 235 ? 0.1403 0.1443 0.1170 0.0114 -0.0197 0.0146 316 TYR A CB 1837 C CG . TYR A 235 ? 0.1476 0.1329 0.1399 -0.0016 0.0019 -0.0022 316 TYR A CG 1838 C CD1 . TYR A 235 ? 0.1716 0.1349 0.1529 0.0041 0.0040 -0.0206 316 TYR A CD1 1839 C CD2 . TYR A 235 ? 0.1303 0.1367 0.1234 -0.0015 -0.0034 -0.0175 316 TYR A CD2 1840 C CE1 . TYR A 235 ? 0.1840 0.1419 0.1365 -0.0057 -0.0175 -0.0157 316 TYR A CE1 1841 C CE2 . TYR A 235 ? 0.1657 0.1225 0.1270 -0.0035 0.0141 -0.0440 316 TYR A CE2 1842 C CZ . TYR A 235 ? 0.1954 0.1355 0.1360 -0.0010 -0.0124 -0.0257 316 TYR A CZ 1843 O OH . TYR A 235 ? 0.2055 0.1618 0.1533 -0.0301 0.0196 -0.0047 316 TYR A OH 1844 N N . LEU A 236 ? 0.1183 0.1333 0.1465 0.0131 -0.0110 0.0026 317 LEU A N 1845 C CA . LEU A 236 ? 0.1238 0.1489 0.1827 -0.0069 -0.0146 0.0114 317 LEU A CA 1846 C C . LEU A 236 ? 0.1298 0.1806 0.1761 -0.0066 -0.0111 -0.0062 317 LEU A C 1847 O O . LEU A 236 ? 0.1477 0.2041 0.1795 -0.0071 -0.0085 -0.0053 317 LEU A O 1848 C CB . LEU A 236 ? 0.1351 0.1602 0.2025 0.0038 -0.0183 0.0068 317 LEU A CB 1849 C CG . LEU A 236 ? 0.1637 0.1633 0.2032 0.0102 -0.0190 0.0042 317 LEU A CG 1850 C CD1 . LEU A 236 ? 0.1813 0.1737 0.2010 0.0026 -0.0033 -0.0152 317 LEU A CD1 1851 C CD2 . LEU A 236 ? 0.1926 0.1664 0.2186 0.0231 -0.0239 0.0292 317 LEU A CD2 1852 N N . CYS A 237 ? 0.1375 0.1742 0.2106 -0.0144 -0.0217 0.0012 318 CYS A N 1853 C CA . CYS A 237 ? 0.1516 0.1946 0.2258 0.0070 -0.0035 0.0198 318 CYS A CA 1854 C C . CYS A 237 ? 0.1444 0.1937 0.2262 0.0049 0.0003 0.0084 318 CYS A C 1855 O O . CYS A 237 ? 0.1518 0.1772 0.2528 0.0029 0.0040 -0.0083 318 CYS A O 1856 C CB . CYS A 237 ? 0.1992 0.2454 0.2656 0.0176 -0.0070 0.0326 318 CYS A CB 1857 S SG . CYS A 237 ? 0.2660 0.3115 0.3590 0.0263 -0.0028 0.0146 318 CYS A SG 1858 N N . ALA A 238 ? 0.1166 0.1904 0.2096 0.0066 -0.0266 0.0092 319 ALA A N 1859 C CA . ALA A 238 ? 0.1119 0.1956 0.2113 0.0249 -0.0052 0.0057 319 ALA A CA 1860 C C . ALA A 238 ? 0.1182 0.2088 0.2368 0.0212 -0.0048 0.0084 319 ALA A C 1861 O O . ALA A 238 ? 0.1312 0.2071 0.2323 0.0140 -0.0299 0.0107 319 ALA A O 1862 C CB . ALA A 238 ? 0.0962 0.2023 0.2375 0.0449 -0.0045 -0.0073 319 ALA A CB 1863 N N . GLY A 239 ? 0.0913 0.2049 0.2150 0.0275 0.0040 0.0107 320 GLY A N 1864 C CA . GLY A 239 ? 0.1161 0.2056 0.2151 0.0243 -0.0259 0.0036 320 GLY A CA 1865 C C . GLY A 239 ? 0.1220 0.2034 0.2333 0.0133 -0.0111 -0.0198 320 GLY A C 1866 O O . GLY A 239 ? 0.1491 0.2031 0.2374 0.0058 -0.0030 -0.0305 320 GLY A O 1867 N N . ILE A 240 ? 0.1041 0.2016 0.2650 0.0104 -0.0246 -0.0250 321 ILE A N 1868 C CA . ILE A 240 ? 0.1059 0.1975 0.2421 0.0021 -0.0131 -0.0244 321 ILE A CA 1869 C C . ILE A 240 ? 0.0937 0.1906 0.2089 0.0069 -0.0202 -0.0319 321 ILE A C 1870 O O . ILE A 240 ? 0.1055 0.2109 0.2439 0.0070 -0.0070 -0.0488 321 ILE A O 1871 C CB . ILE A 240 ? 0.1281 0.2097 0.2697 -0.0024 -0.0268 -0.0156 321 ILE A CB 1872 C CG1 . ILE A 240 ? 0.1474 0.2170 0.2554 0.0055 0.0085 -0.0215 321 ILE A CG1 1873 C CG2 . ILE A 240 ? 0.1378 0.2146 0.2887 -0.0045 -0.0398 -0.0192 321 ILE A CG2 1874 C CD1 . ILE A 240 ? 0.1500 0.2172 0.2272 0.0098 0.0265 -0.0235 321 ILE A CD1 1875 N N . PRO A 241 ? 0.0945 0.1757 0.1928 0.0047 0.0098 -0.0208 322 PRO A N 1876 C CA . PRO A 241 ? 0.0795 0.1679 0.1702 0.0275 0.0077 -0.0113 322 PRO A CA 1877 C C . PRO A 241 ? 0.0861 0.1553 0.1502 0.0302 0.0171 -0.0014 322 PRO A C 1878 O O . PRO A 241 ? 0.1140 0.1610 0.1541 0.0195 0.0055 -0.0089 322 PRO A O 1879 C CB . PRO A 241 ? 0.0825 0.1701 0.1704 0.0220 0.0309 -0.0173 322 PRO A CB 1880 C CG . PRO A 241 ? 0.0858 0.1930 0.1497 0.0055 0.0404 -0.0269 322 PRO A CG 1881 C CD . PRO A 241 ? 0.0889 0.1858 0.1761 0.0048 0.0076 -0.0352 322 PRO A CD 1882 N N . THR A 242 ? 0.0762 0.1354 0.1379 0.0199 0.0260 -0.0251 323 THR A N 1883 C CA . THR A 242 ? 0.0833 0.1201 0.1394 0.0175 -0.0128 -0.0252 323 THR A CA 1884 C C . THR A 242 ? 0.1039 0.1169 0.1399 0.0109 0.0277 -0.0225 323 THR A C 1885 O O . THR A 242 ? 0.1111 0.1382 0.1738 0.0164 0.0293 -0.0025 323 THR A O 1886 C CB . THR A 242 ? 0.1020 0.1039 0.1444 -0.0055 -0.0350 -0.0234 323 THR A CB 1887 O OG1 . THR A 242 ? 0.1429 0.0900 0.1643 -0.0051 -0.0249 0.0286 323 THR A OG1 1888 C CG2 . THR A 242 ? 0.1110 0.1364 0.1738 0.0194 -0.0596 -0.0405 323 THR A CG2 1889 N N . ASP A 243 ? 0.1206 0.1130 0.1383 -0.0023 0.0180 -0.0171 324 ASP A N 1890 C CA . ASP A 243 ? 0.1144 0.0982 0.1352 -0.0071 0.0110 -0.0048 324 ASP A CA 1891 C C . ASP A 243 ? 0.1128 0.1056 0.1535 -0.0023 0.0098 -0.0059 324 ASP A C 1892 O O . ASP A 243 ? 0.0970 0.1035 0.1999 -0.0097 0.0022 0.0134 324 ASP A O 1893 C CB . ASP A 243 ? 0.1146 0.1008 0.1319 -0.0106 -0.0150 0.0054 324 ASP A CB 1894 C CG . ASP A 243 ? 0.1369 0.1097 0.1399 -0.0041 0.0135 0.0036 324 ASP A CG 1895 O OD1 . ASP A 243 ? 0.1286 0.1433 0.1159 -0.0139 0.0123 -0.0169 324 ASP A OD1 1896 O OD2 . ASP A 243 ? 0.1198 0.1087 0.1498 -0.0073 0.0060 0.0006 324 ASP A OD2 1897 N N . THR A 244 ? 0.1107 0.1030 0.1237 0.0282 0.0211 -0.0230 325 THR A N 1898 C CA . THR A 244 ? 0.1294 0.0983 0.0780 0.0125 0.0192 -0.0015 325 THR A CA 1899 C C . THR A 244 ? 0.1270 0.1200 0.0817 0.0167 0.0229 -0.0014 325 THR A C 1900 O O . THR A 244 ? 0.1242 0.1470 0.1014 0.0192 0.0385 -0.0158 325 THR A O 1901 C CB . THR A 244 ? 0.1690 0.0944 0.0767 0.0006 0.0153 0.0143 325 THR A CB 1902 O OG1 . THR A 244 ? 0.1937 0.1130 0.1122 -0.0038 0.0091 -0.0095 325 THR A OG1 1903 C CG2 . THR A 244 ? 0.1834 0.0827 0.1060 0.0244 0.0120 0.0277 325 THR A CG2 1904 N N . PRO A 245 ? 0.1280 0.1245 0.1316 0.0198 0.0425 -0.0075 326 PRO A N 1905 C CA . PRO A 245 ? 0.1261 0.1355 0.1390 0.0229 0.0641 -0.0286 326 PRO A CA 1906 C C . PRO A 245 ? 0.1230 0.1415 0.1445 0.0170 0.0565 -0.0115 326 PRO A C 1907 O O . PRO A 245 ? 0.1186 0.1568 0.1624 0.0209 0.0312 -0.0166 326 PRO A O 1908 C CB . PRO A 245 ? 0.1541 0.1355 0.1614 0.0073 0.0462 -0.0188 326 PRO A CB 1909 C CG . PRO A 245 ? 0.1492 0.1442 0.1851 0.0365 0.0400 -0.0281 326 PRO A CG 1910 C CD . PRO A 245 ? 0.1297 0.1369 0.1961 0.0505 0.0405 -0.0297 326 PRO A CD 1911 N N . ARG A 246 ? 0.1052 0.1390 0.1463 0.0255 0.0649 -0.0144 327 ARG A N 1912 C CA . ARG A 246 ? 0.1064 0.1358 0.1361 0.0168 0.0502 -0.0070 327 ARG A CA 1913 C C . ARG A 246 ? 0.1126 0.1511 0.1619 0.0176 0.0447 -0.0128 327 ARG A C 1914 O O . ARG A 246 ? 0.1238 0.1740 0.1954 0.0168 0.0262 0.0004 327 ARG A O 1915 C CB . ARG A 246 ? 0.1142 0.0999 0.1251 0.0333 0.0164 -0.0239 327 ARG A CB 1916 C CG . ARG A 246 ? 0.1079 0.1030 0.1285 -0.0014 -0.0099 -0.0260 327 ARG A CG 1917 C CD . ARG A 246 ? 0.1281 0.1128 0.1444 0.0035 0.0043 -0.0355 327 ARG A CD 1918 N NE . ARG A 246 ? 0.1372 0.1255 0.1441 0.0178 0.0333 -0.0106 327 ARG A NE 1919 C CZ . ARG A 246 ? 0.1273 0.1153 0.1696 0.0155 0.0349 -0.0179 327 ARG A CZ 1920 N NH1 . ARG A 246 ? 0.1171 0.1153 0.1751 0.0174 0.0305 0.0122 327 ARG A NH1 1921 N NH2 . ARG A 246 ? 0.1399 0.1195 0.1628 0.0200 0.0250 -0.0155 327 ARG A NH2 1922 N N . VAL A 247 ? 0.1041 0.1417 0.1840 0.0137 0.0440 -0.0052 328 VAL A N 1923 C CA . VAL A 247 ? 0.1130 0.1563 0.2136 0.0187 0.0613 -0.0059 328 VAL A CA 1924 C C . VAL A 247 ? 0.1185 0.1640 0.2154 0.0058 0.0616 -0.0066 328 VAL A C 1925 O O . VAL A 247 ? 0.1320 0.1663 0.2364 0.0090 0.0832 -0.0207 328 VAL A O 1926 C CB . VAL A 247 ? 0.1286 0.1688 0.2551 0.0125 0.0420 0.0138 328 VAL A CB 1927 C CG1 . VAL A 247 ? 0.1320 0.1526 0.2596 0.0125 0.0308 -0.0149 328 VAL A CG1 1928 C CG2 . VAL A 247 ? 0.1042 0.1791 0.2576 0.0137 0.0357 0.0253 328 VAL A CG2 1929 N N . GLN A 248 ? 0.1343 0.1906 0.2305 0.0007 0.0487 0.0235 329 GLN A N 1930 C CA . GLN A 248 ? 0.1499 0.2194 0.2647 0.0020 0.0295 0.0326 329 GLN A CA 1931 C C . GLN A 248 ? 0.1238 0.2166 0.2720 -0.0048 0.0386 0.0115 329 GLN A C 1932 O O . GLN A 248 ? 0.0963 0.2179 0.2696 0.0075 0.0261 0.0016 329 GLN A O 1933 C CB . GLN A 248 ? 0.1911 0.2711 0.3008 -0.0003 0.0317 0.0606 329 GLN A CB 1934 C CG . GLN A 248 ? 0.2486 0.3376 0.4049 0.0110 0.0205 0.0475 329 GLN A CG 1935 C CD . GLN A 248 ? 0.3118 0.3836 0.4661 0.0041 -0.0194 0.0224 329 GLN A CD 1936 O OE1 . GLN A 248 ? 0.3357 0.4106 0.4814 -0.0120 -0.0173 0.0054 329 GLN A OE1 1937 N NE2 . GLN A 248 ? 0.3299 0.3961 0.4876 0.0101 -0.0487 0.0211 329 GLN A NE2 1938 N N . ASP A 249 ? 0.1191 0.2149 0.2689 0.0038 0.0386 -0.0113 330 ASP A N 1939 C CA . ASP A 249 ? 0.1214 0.2134 0.2690 0.0155 0.0312 -0.0060 330 ASP A CA 1940 C C . ASP A 249 ? 0.1310 0.2258 0.2609 0.0186 0.0363 0.0207 330 ASP A C 1941 O O . ASP A 249 ? 0.1513 0.2138 0.2426 0.0339 0.0059 0.0424 330 ASP A O 1942 C CB . ASP A 249 ? 0.1131 0.2002 0.2762 0.0102 0.0153 -0.0314 330 ASP A CB 1943 C CG . ASP A 249 ? 0.1243 0.2170 0.2962 0.0015 0.0224 -0.0372 330 ASP A CG 1944 O OD1 . ASP A 249 ? 0.1075 0.2400 0.2844 0.0173 0.0162 -0.0275 330 ASP A OD1 1945 O OD2 . ASP A 249 ? 0.1284 0.2143 0.2939 0.0068 0.0273 -0.0382 330 ASP A OD2 1946 N N . SER A 250 ? 0.1330 0.2427 0.2647 0.0124 0.0562 0.0042 331 SER A N 1947 C CA . SER A 250 ? 0.1335 0.2602 0.2971 0.0129 0.0576 0.0005 331 SER A CA 1948 C C . SER A 250 ? 0.1371 0.2578 0.2866 0.0295 0.0484 -0.0196 331 SER A C 1949 O O . SER A 250 ? 0.1780 0.2851 0.3229 0.0405 0.0275 -0.0264 331 SER A O 1950 C CB . SER A 250 ? 0.1487 0.2974 0.3274 0.0019 0.0716 0.0113 331 SER A CB 1951 O OG . SER A 250 ? 0.1727 0.3342 0.3786 -0.0105 0.0700 -0.0069 331 SER A OG 1952 N N . SER A 251 ? 0.1413 0.2422 0.2545 0.0235 0.0596 -0.0175 332 SER A N 1953 C CA . SER A 251 ? 0.1488 0.2285 0.2397 0.0221 0.0584 -0.0261 332 SER A CA 1954 C C . SER A 251 ? 0.1594 0.2239 0.2392 0.0255 0.0478 -0.0185 332 SER A C 1955 O O . SER A 251 ? 0.1870 0.2434 0.2727 0.0189 0.0366 -0.0134 332 SER A O 1956 C CB . SER A 251 ? 0.1464 0.2360 0.2550 0.0090 0.0640 -0.0049 332 SER A CB 1957 O OG . SER A 251 ? 0.1813 0.2568 0.3326 0.0077 0.0597 -0.0058 332 SER A OG 1958 N N . PHE A 252 ? 0.1502 0.2271 0.2194 0.0267 0.0268 -0.0053 333 PHE A N 1959 C CA . PHE A 252 ? 0.1291 0.2293 0.2271 0.0261 0.0216 0.0077 333 PHE A CA 1960 C C . PHE A 252 ? 0.1315 0.2378 0.2625 0.0251 0.0100 0.0340 333 PHE A C 1961 O O . PHE A 252 ? 0.1543 0.2376 0.2632 0.0047 0.0192 0.0459 333 PHE A O 1962 C CB . PHE A 252 ? 0.1138 0.2304 0.2310 0.0297 0.0160 0.0157 333 PHE A CB 1963 C CG . PHE A 252 ? 0.1185 0.2236 0.2331 0.0199 0.0163 0.0021 333 PHE A CG 1964 C CD1 . PHE A 252 ? 0.1339 0.2217 0.2458 0.0189 0.0158 -0.0145 333 PHE A CD1 1965 C CD2 . PHE A 252 ? 0.1236 0.2069 0.2119 0.0297 0.0190 0.0139 333 PHE A CD2 1966 C CE1 . PHE A 252 ? 0.1185 0.2146 0.2455 0.0208 0.0037 -0.0066 333 PHE A CE1 1967 C CE2 . PHE A 252 ? 0.1185 0.1950 0.2091 0.0324 0.0207 0.0013 333 PHE A CE2 1968 C CZ . PHE A 252 ? 0.1090 0.2075 0.2219 0.0422 0.0217 0.0102 333 PHE A CZ 1969 N N . THR A 253 ? 0.1207 0.2473 0.2452 0.0380 0.0199 0.0560 334 THR A N 1970 C CA . THR A 253 ? 0.1196 0.2710 0.2712 0.0359 0.0218 0.0362 334 THR A CA 1971 C C . THR A 253 ? 0.1330 0.2548 0.2932 0.0257 0.0245 0.0262 334 THR A C 1972 O O . THR A 253 ? 0.1225 0.2585 0.3106 0.0187 -0.0071 0.0090 334 THR A O 1973 C CB . THR A 253 ? 0.1113 0.3070 0.3041 0.0568 0.0121 0.0211 334 THR A CB 1974 O OG1 . THR A 253 ? 0.0983 0.3264 0.3617 0.0430 0.0155 0.0189 334 THR A OG1 1975 C CG2 . THR A 253 ? 0.1222 0.3232 0.3460 0.0614 -0.0225 0.0281 334 THR A CG2 1976 N N . GLY A 254 ? 0.1472 0.2465 0.2957 0.0223 0.0356 0.0426 335 GLY A N 1977 C CA . GLY A 254 ? 0.1300 0.2413 0.2868 0.0203 0.0612 0.0713 335 GLY A CA 1978 C C . GLY A 254 ? 0.1161 0.2156 0.2886 0.0260 0.0355 0.0289 335 GLY A C 1979 O O . GLY A 254 ? 0.1210 0.2345 0.2926 0.0245 0.0001 -0.0004 335 GLY A O 1980 N N . SER A 255 ? 0.1401 0.2002 0.2581 0.0025 0.0439 0.0207 336 SER A N 1981 C CA . SER A 255 ? 0.1496 0.1705 0.2489 0.0095 0.0281 0.0231 336 SER A CA 1982 C C . SER A 255 ? 0.1620 0.1738 0.2507 0.0122 0.0317 0.0196 336 SER A C 1983 O O . SER A 255 ? 0.1347 0.1653 0.2215 0.0122 0.0239 0.0370 336 SER A O 1984 C CB . SER A 255 ? 0.1637 0.1492 0.2418 0.0088 0.0107 0.0411 336 SER A CB 1985 O OG . SER A 255 ? 0.1752 0.1516 0.2341 0.0081 -0.0208 0.0364 336 SER A OG 1986 N N . CYS A 256 ? 0.1923 0.1938 0.2481 0.0047 0.0046 -0.0081 337 CYS A N 1987 C CA . CYS A 256 ? 0.2215 0.2245 0.2553 0.0034 -0.0006 -0.0118 337 CYS A CA 1988 C C . CYS A 256 ? 0.2118 0.2112 0.2234 0.0275 -0.0031 0.0067 337 CYS A C 1989 O O . CYS A 256 ? 0.2215 0.2135 0.2158 0.0365 0.0280 0.0389 337 CYS A O 1990 C CB . CYS A 256 ? 0.2607 0.2775 0.3335 -0.0265 -0.0173 -0.0344 337 CYS A CB 1991 S SG . CYS A 256 ? 0.3037 0.3484 0.4160 0.0020 -0.0223 -0.0099 337 CYS A SG 1992 N N . THR A 257 ? 0.2126 0.1959 0.2035 0.0366 -0.0331 0.0167 338 THR A N 1993 C CA . THR A 257 ? 0.2101 0.1954 0.2172 0.0426 -0.0411 0.0227 338 THR A CA 1994 C C . THR A 257 ? 0.2044 0.2086 0.2521 0.0146 -0.0502 0.0198 338 THR A C 1995 O O . THR A 257 ? 0.2179 0.2119 0.2474 -0.0249 -0.0488 0.0005 338 THR A O 1996 C CB . THR A 257 ? 0.2202 0.1989 0.2777 0.0506 -0.0523 0.0248 338 THR A CB 1997 O OG1 . THR A 257 ? 0.2295 0.2052 0.3113 0.0398 -0.0474 0.0391 338 THR A OG1 1998 C CG2 . THR A 257 ? 0.2334 0.1951 0.2967 0.0494 -0.0631 0.0303 338 THR A CG2 1999 N N . ASN A 258 ? 0.1808 0.2136 0.1882 0.0464 -0.0473 0.0265 339 ASN A N 2000 C CA . ASN A 258 ? 0.1843 0.2258 0.2352 0.0680 -0.0450 0.0212 339 ASN A CA 2001 C C . ASN A 258 ? 0.1520 0.2054 0.2301 0.0583 -0.0219 0.0068 339 ASN A C 2002 O O . ASN A 258 ? 0.1471 0.2228 0.2501 0.0570 -0.0336 0.0123 339 ASN A O 2003 C CB . ASN A 258 ? 0.2395 0.2552 0.3261 0.0860 -0.0864 0.0226 339 ASN A CB 2004 C CG . ASN A 258 ? 0.3061 0.3000 0.4988 0.0860 -0.1320 0.0415 339 ASN A CG 2005 O OD1 . ASN A 258 ? 0.3499 0.3529 0.5801 0.0829 -0.1373 0.0686 339 ASN A OD1 2006 N ND2 . ASN A 258 ? 0.3573 0.3268 0.5641 0.0966 -0.1440 0.0464 339 ASN A ND2 2007 N N . ALA A 259 ? 0.1371 0.1794 0.1978 0.0271 -0.0103 0.0133 340 ALA A N 2008 C CA . ALA A 259 ? 0.1379 0.1680 0.2076 0.0219 0.0208 0.0028 340 ALA A CA 2009 C C . ALA A 259 ? 0.1469 0.1498 0.2269 0.0376 0.0583 -0.0049 340 ALA A C 2010 O O . ALA A 259 ? 0.1892 0.1330 0.3121 0.0443 0.0749 0.0004 340 ALA A O 2011 C CB . ALA A 259 ? 0.1478 0.1788 0.2071 0.0102 0.0154 -0.0178 340 ALA A CB 2012 N N . VAL A 260 ? 0.1408 0.1612 0.1799 0.0405 0.0656 -0.0027 341 VAL A N 2013 C CA . VAL A 260 ? 0.1515 0.1608 0.1757 0.0262 0.0448 0.0037 341 VAL A CA 2014 C C . VAL A 260 ? 0.1429 0.1696 0.2004 0.0212 0.0178 -0.0023 341 VAL A C 2015 O O . VAL A 260 ? 0.1388 0.1770 0.2393 0.0509 0.0113 0.0060 341 VAL A O 2016 C CB . VAL A 260 ? 0.1603 0.1820 0.1699 0.0225 0.0301 -0.0064 341 VAL A CB 2017 C CG1 . VAL A 260 ? 0.1666 0.1799 0.1725 0.0179 0.0367 -0.0001 341 VAL A CG1 2018 C CG2 . VAL A 260 ? 0.1700 0.1943 0.1808 0.0270 0.0119 0.0053 341 VAL A CG2 2019 N N . GLY A 261 ? 0.1497 0.1861 0.1767 0.0003 0.0123 -0.0120 342 GLY A N 2020 C CA . GLY A 261 ? 0.1297 0.1924 0.1810 0.0162 0.0276 -0.0143 342 GLY A CA 2021 C C . GLY A 261 ? 0.1322 0.1901 0.1982 0.0153 0.0440 -0.0178 342 GLY A C 2022 O O . GLY A 261 ? 0.1482 0.1873 0.2327 0.0187 0.0304 -0.0169 342 GLY A O 2023 N N . GLY A 262 ? 0.1197 0.2007 0.2159 0.0248 0.0672 -0.0227 343 GLY A N 2024 C CA . GLY A 262 ? 0.1460 0.2160 0.2011 0.0272 0.0858 -0.0342 343 GLY A CA 2025 C C . GLY A 262 ? 0.1610 0.2192 0.2260 0.0288 0.0850 -0.0446 343 GLY A C 2026 O O . GLY A 262 ? 0.1601 0.2003 0.2200 0.0289 0.1013 -0.0361 343 GLY A O 2027 N N . SER A 263 ? 0.1881 0.2364 0.2298 0.0178 0.0686 -0.0265 344 SER A N 2028 C CA . SER A 263 ? 0.2195 0.2396 0.2807 0.0160 0.0590 -0.0237 344 SER A CA 2029 C C . SER A 263 ? 0.2283 0.2148 0.2546 0.0184 0.0750 -0.0298 344 SER A C 2030 O O . SER A 263 ? 0.2620 0.1963 0.2994 0.0100 0.0559 -0.0359 344 SER A O 2031 C CB . SER A 263 ? 0.2365 0.2811 0.3451 0.0353 0.0593 -0.0182 344 SER A CB 2032 O OG . SER A 263 ? 0.2537 0.3087 0.3864 0.0481 0.0704 -0.0184 344 SER A OG 2033 N N . GLY A 264 ? 0.1948 0.2064 0.2158 0.0226 0.0713 -0.0307 345 GLY A N 2034 C CA . GLY A 264 ? 0.1852 0.2013 0.2063 0.0421 0.0676 -0.0140 345 GLY A CA 2035 C C . GLY A 264 ? 0.1664 0.1918 0.2082 0.0398 0.0435 0.0012 345 GLY A C 2036 O O . GLY A 264 ? 0.1863 0.2260 0.2117 0.0505 0.0207 -0.0125 345 GLY A O 2037 N N . THR A 265 ? 0.1332 0.1608 0.1929 0.0131 0.0460 -0.0032 346 THR A N 2038 C CA . THR A 265 ? 0.1191 0.1430 0.2022 0.0008 0.0354 -0.0246 346 THR A CA 2039 C C . THR A 265 ? 0.1210 0.1385 0.1930 0.0024 0.0311 -0.0190 346 THR A C 2040 O O . THR A 265 ? 0.1257 0.1528 0.1860 0.0126 0.0334 -0.0258 346 THR A O 2041 C CB . THR A 265 ? 0.1083 0.1451 0.2065 0.0027 0.0233 -0.0145 346 THR A CB 2042 O OG1 . THR A 265 ? 0.1210 0.1463 0.1949 0.0102 0.0064 -0.0335 346 THR A OG1 2043 C CG2 . THR A 265 ? 0.0952 0.1560 0.2227 -0.0131 0.0424 -0.0164 346 THR A CG2 2044 N N . ASN A 266 A 0.1261 0.1332 0.2242 -0.0112 0.0087 -0.0208 346 ASN A N 2045 C CA . ASN A 266 A 0.1057 0.1216 0.1571 0.0128 0.0293 -0.0277 346 ASN A CA 2046 C C . ASN A 266 A 0.1195 0.1300 0.1575 0.0251 0.0360 -0.0222 346 ASN A C 2047 O O . ASN A 266 A 0.1391 0.1417 0.1934 0.0106 0.0500 -0.0174 346 ASN A O 2048 C CB . ASN A 266 A 0.1083 0.1114 0.1737 0.0462 0.0276 -0.0246 346 ASN A CB 2049 C CG . ASN A 266 A 0.1441 0.1433 0.2233 0.0602 0.0500 -0.0318 346 ASN A CG 2050 O OD1 . ASN A 266 A 0.1811 0.2115 0.3103 0.0396 0.0667 -0.0143 346 ASN A OD1 2051 N ND2 . ASN A 266 A 0.1373 0.1408 0.1873 0.0568 0.0445 -0.0033 346 ASN A ND2 2052 N N . ASN A 267 B 0.1133 0.1114 0.1525 0.0422 0.0465 -0.0236 346 ASN A N 2053 C CA . ASN A 267 B 0.1220 0.1056 0.1104 0.0435 0.0250 -0.0361 346 ASN A CA 2054 C C . ASN A 267 B 0.1327 0.1168 0.1149 0.0331 0.0142 -0.0334 346 ASN A C 2055 O O . ASN A 267 B 0.1444 0.1411 0.1362 0.0294 -0.0067 -0.0359 346 ASN A O 2056 C CB . ASN A 267 B 0.1328 0.1310 0.1267 0.0593 0.0392 -0.0208 346 ASN A CB 2057 C CG . ASN A 267 B 0.1771 0.1575 0.1832 0.0540 0.0290 -0.0381 346 ASN A CG 2058 O OD1 . ASN A 267 B 0.1949 0.1592 0.2233 0.0580 0.0453 -0.0072 346 ASN A OD1 2059 N ND2 . ASN A 267 B 0.1968 0.1951 0.2111 0.0702 -0.0006 -0.0660 346 ASN A ND2 2060 N N . TYR A 268 ? 0.1481 0.1106 0.1096 0.0377 0.0117 -0.0201 347 TYR A N 2061 C CA . TYR A 268 ? 0.1445 0.0829 0.0887 0.0314 0.0231 -0.0178 347 TYR A CA 2062 C C . TYR A 268 ? 0.1357 0.0861 0.0974 0.0192 -0.0034 -0.0001 347 TYR A C 2063 O O . TYR A 268 ? 0.1475 0.0896 0.1257 0.0238 0.0112 -0.0162 347 TYR A O 2064 C CB . TYR A 268 ? 0.1481 0.1022 0.1102 0.0325 -0.0019 -0.0254 347 TYR A CB 2065 C CG . TYR A 268 ? 0.1638 0.1291 0.1533 0.0153 0.0029 -0.0164 347 TYR A CG 2066 C CD1 . TYR A 268 ? 0.1658 0.1535 0.1852 0.0318 0.0059 -0.0221 347 TYR A CD1 2067 C CD2 . TYR A 268 ? 0.1610 0.1197 0.1599 0.0364 -0.0007 -0.0186 347 TYR A CD2 2068 C CE1 . TYR A 268 ? 0.1643 0.1444 0.1814 0.0440 0.0048 -0.0172 347 TYR A CE1 2069 C CE2 . TYR A 268 ? 0.1635 0.1253 0.1500 0.0289 -0.0049 -0.0211 347 TYR A CE2 2070 C CZ . TYR A 268 ? 0.1712 0.1470 0.1809 0.0609 -0.0039 -0.0355 347 TYR A CZ 2071 O OH . TYR A 268 ? 0.1839 0.1514 0.2002 0.0635 -0.0097 -0.0383 347 TYR A OH 2072 N N . GLY A 269 ? 0.1385 0.0674 0.0886 0.0210 0.0178 -0.0471 348 GLY A N 2073 C CA . GLY A 269 ? 0.1234 0.0520 0.0996 0.0389 0.0123 -0.0495 348 GLY A CA 2074 C C . GLY A 269 ? 0.1029 0.0840 0.1269 0.0346 0.0205 -0.0463 348 GLY A C 2075 O O . GLY A 269 ? 0.1115 0.0920 0.1149 0.0145 0.0126 -0.0287 348 GLY A O 2076 N N . VAL A 270 ? 0.0887 0.0925 0.1209 0.0441 0.0330 -0.0319 349 VAL A N 2077 C CA . VAL A 270 ? 0.0848 0.1028 0.1305 0.0409 0.0072 -0.0123 349 VAL A CA 2078 C C . VAL A 270 ? 0.0882 0.1037 0.1025 0.0338 0.0183 -0.0283 349 VAL A C 2079 O O . VAL A 270 ? 0.1066 0.1059 0.1075 0.0211 0.0087 -0.0166 349 VAL A O 2080 C CB . VAL A 270 ? 0.0562 0.1069 0.1136 0.0102 -0.0244 0.0163 349 VAL A CB 2081 C CG1 . VAL A 270 ? 0.0692 0.1142 0.1039 -0.0059 -0.0217 0.0230 349 VAL A CG1 2082 C CG2 . VAL A 270 ? 0.0680 0.1226 0.1408 0.0266 -0.0088 0.0440 349 VAL A CG2 2083 N N . LYS A 271 ? 0.0765 0.0934 0.0780 0.0314 0.0400 -0.0262 350 LYS A N 2084 C CA . LYS A 271 ? 0.0799 0.1067 0.0876 0.0081 0.0519 -0.0263 350 LYS A CA 2085 C C . LYS A 271 ? 0.0821 0.1215 0.0982 -0.0004 0.0147 -0.0233 350 LYS A C 2086 O O . LYS A 271 ? 0.0999 0.1280 0.0962 0.0119 0.0089 -0.0313 350 LYS A O 2087 C CB . LYS A 271 ? 0.0718 0.1173 0.0583 0.0036 0.0415 -0.0245 350 LYS A CB 2088 C CG . LYS A 271 ? 0.0775 0.1315 0.0426 0.0215 0.0212 -0.0075 350 LYS A CG 2089 C CD . LYS A 271 ? 0.0715 0.1538 0.0633 0.0122 0.0214 0.0074 350 LYS A CD 2090 C CE . LYS A 271 ? 0.0812 0.1516 0.0431 0.0486 -0.0062 0.0036 350 LYS A CE 2091 N NZ . LYS A 271 ? 0.1029 0.1474 0.0547 0.0505 -0.0265 -0.0053 350 LYS A NZ 2092 N N . GLY A 272 ? 0.0601 0.1212 0.0874 0.0103 -0.0117 -0.0347 351 GLY A N 2093 C CA . GLY A 272 ? 0.0825 0.1103 0.0776 0.0017 -0.0219 -0.0327 351 GLY A CA 2094 C C . GLY A 272 ? 0.1052 0.1169 0.1043 0.0000 -0.0107 -0.0267 351 GLY A C 2095 O O . GLY A 272 ? 0.1235 0.1247 0.1421 -0.0160 -0.0249 -0.0114 351 GLY A O 2096 N N . PHE A 273 ? 0.1005 0.1124 0.1034 0.0214 -0.0349 -0.0245 352 PHE A N 2097 C CA . PHE A 273 ? 0.1066 0.1197 0.1121 0.0161 -0.0418 -0.0396 352 PHE A CA 2098 C C . PHE A 273 ? 0.0971 0.1468 0.1280 0.0077 -0.0234 -0.0305 352 PHE A C 2099 O O . PHE A 273 ? 0.0858 0.1329 0.1022 0.0294 -0.0028 -0.0423 352 PHE A O 2100 C CB . PHE A 273 ? 0.1003 0.1147 0.1260 0.0309 -0.0360 -0.0191 352 PHE A CB 2101 C CG . PHE A 273 ? 0.1113 0.0999 0.1347 0.0170 -0.0232 -0.0329 352 PHE A CG 2102 C CD1 . PHE A 273 ? 0.1230 0.1030 0.1500 0.0364 0.0084 -0.0252 352 PHE A CD1 2103 C CD2 . PHE A 273 ? 0.1349 0.0978 0.1510 0.0093 -0.0281 -0.0305 352 PHE A CD2 2104 C CE1 . PHE A 273 ? 0.1261 0.1041 0.1549 0.0346 0.0275 -0.0130 352 PHE A CE1 2105 C CE2 . PHE A 273 ? 0.1412 0.1055 0.1761 0.0262 0.0011 -0.0173 352 PHE A CE2 2106 C CZ . PHE A 273 ? 0.1305 0.1132 0.1735 0.0277 0.0138 -0.0085 352 PHE A CZ 2107 N N . GLY A 274 ? 0.0922 0.1512 0.1207 0.0000 -0.0499 -0.0203 353 GLY A N 2108 C CA . GLY A 274 ? 0.0968 0.1429 0.1090 -0.0094 -0.0321 -0.0549 353 GLY A CA 2109 C C . GLY A 274 ? 0.1086 0.1523 0.1165 -0.0103 -0.0210 -0.0288 353 GLY A C 2110 O O . GLY A 274 ? 0.1122 0.1744 0.1166 -0.0190 0.0000 -0.0022 353 GLY A O 2111 N N . PHE A 275 ? 0.1012 0.1457 0.0969 0.0053 -0.0572 -0.0217 354 PHE A N 2112 C CA . PHE A 275 ? 0.1075 0.1322 0.1338 0.0194 -0.0414 0.0030 354 PHE A CA 2113 C C . PHE A 275 ? 0.1344 0.1434 0.1311 0.0118 -0.0427 0.0109 354 PHE A C 2114 O O . PHE A 275 ? 0.1157 0.1537 0.1476 0.0062 -0.0195 0.0054 354 PHE A O 2115 C CB . PHE A 275 ? 0.1040 0.1320 0.1324 0.0195 -0.0191 -0.0117 354 PHE A CB 2116 C CG . PHE A 275 ? 0.1090 0.1455 0.1183 0.0132 -0.0439 -0.0238 354 PHE A CG 2117 C CD1 . PHE A 275 ? 0.1037 0.1531 0.1377 -0.0074 -0.0357 -0.0293 354 PHE A CD1 2118 C CD2 . PHE A 275 ? 0.1255 0.1463 0.1032 0.0273 -0.0507 -0.0202 354 PHE A CD2 2119 C CE1 . PHE A 275 ? 0.1347 0.1588 0.1831 0.0051 -0.0407 -0.0403 354 PHE A CE1 2120 C CE2 . PHE A 275 ? 0.1397 0.1530 0.1653 -0.0044 -0.0324 -0.0309 354 PHE A CE2 2121 C CZ . PHE A 275 ? 0.1368 0.1520 0.1629 -0.0112 -0.0485 -0.0527 354 PHE A CZ 2122 N N . ARG A 276 ? 0.1467 0.1304 0.1050 0.0201 -0.0500 0.0110 355 ARG A N 2123 C CA . ARG A 276 ? 0.1335 0.1288 0.1020 0.0111 -0.0354 0.0123 355 ARG A CA 2124 C C . ARG A 276 ? 0.1485 0.1351 0.1188 0.0091 -0.0459 -0.0066 355 ARG A C 2125 O O . ARG A 276 ? 0.1403 0.1423 0.1514 0.0115 -0.0525 -0.0055 355 ARG A O 2126 C CB . ARG A 276 ? 0.1247 0.1524 0.0944 0.0420 -0.0493 0.0304 355 ARG A CB 2127 C CG . ARG A 276 ? 0.1177 0.1519 0.1171 0.0167 -0.0516 0.0564 355 ARG A CG 2128 C CD . ARG A 276 ? 0.1238 0.1676 0.1571 0.0370 -0.0270 0.0401 355 ARG A CD 2129 N NE . ARG A 276 ? 0.1336 0.1755 0.1750 0.0272 -0.0260 0.0213 355 ARG A NE 2130 C CZ . ARG A 276 ? 0.1490 0.1902 0.1719 0.0449 -0.0210 -0.0099 355 ARG A CZ 2131 N NH1 . ARG A 276 ? 0.1704 0.1945 0.1851 0.0294 -0.0184 -0.0112 355 ARG A NH1 2132 N NH2 . ARG A 276 ? 0.1552 0.1976 0.1836 0.0438 -0.0413 -0.0199 355 ARG A NH2 2133 N N . GLN A 277 ? 0.1515 0.1361 0.1374 -0.0203 -0.0507 -0.0054 356 GLN A N 2134 C CA . GLN A 277 ? 0.1489 0.1499 0.1355 -0.0019 -0.0586 0.0086 356 GLN A CA 2135 C C . GLN A 277 ? 0.1546 0.1839 0.1519 -0.0011 -0.0531 0.0207 356 GLN A C 2136 O O . GLN A 277 ? 0.1600 0.2110 0.1799 0.0006 -0.0547 0.0082 356 GLN A O 2137 C CB . GLN A 277 ? 0.1404 0.1517 0.1235 0.0069 -0.0657 0.0388 356 GLN A CB 2138 C CG . GLN A 277 ? 0.1400 0.1473 0.1439 0.0228 -0.0441 0.0506 356 GLN A CG 2139 C CD . GLN A 277 ? 0.1586 0.1585 0.1511 0.0139 -0.0208 0.0297 356 GLN A CD 2140 O OE1 . GLN A 277 ? 0.1706 0.1561 0.1564 0.0013 -0.0112 0.0230 356 GLN A OE1 2141 N NE2 . GLN A 277 ? 0.1400 0.1608 0.1760 0.0327 -0.0152 0.0120 356 GLN A NE2 2142 N N . GLY A 278 ? 0.1464 0.2075 0.1324 0.0331 -0.0663 -0.0027 357 GLY A N 2143 C CA . GLY A 278 ? 0.1382 0.2190 0.1522 0.0229 -0.0539 -0.0002 357 GLY A CA 2144 C C . GLY A 278 ? 0.1368 0.2202 0.1789 0.0071 -0.0298 0.0136 357 GLY A C 2145 O O . GLY A 278 ? 0.1252 0.2158 0.1915 -0.0126 -0.0273 -0.0074 357 GLY A O 2146 N N . ASN A 279 ? 0.1200 0.2272 0.1937 0.0154 -0.0476 0.0182 358 ASN A N 2147 C CA . ASN A 279 ? 0.1337 0.2170 0.1722 0.0107 -0.0608 0.0472 358 ASN A CA 2148 C C . ASN A 279 ? 0.1327 0.1952 0.1537 0.0058 -0.0579 0.0246 358 ASN A C 2149 O O . ASN A 279 ? 0.1541 0.1961 0.1705 0.0081 -0.0265 0.0215 358 ASN A O 2150 C CB . ASN A 279 ? 0.1445 0.2308 0.1546 0.0096 -0.0890 0.0630 358 ASN A CB 2151 C CG . ASN A 279 ? 0.1887 0.2583 0.2102 0.0362 -0.0814 0.0358 358 ASN A CG 2152 O OD1 . ASN A 279 ? 0.2180 0.2671 0.2351 0.0491 -0.0598 0.0303 358 ASN A OD1 2153 N ND2 . ASN A 279 ? 0.2038 0.2752 0.2430 0.0516 -0.0869 -0.0026 358 ASN A ND2 2154 N N . SER A 280 ? 0.1324 0.1569 0.1561 0.0087 -0.0367 0.0413 359 SER A N 2155 C CA . SER A 280 ? 0.1345 0.1491 0.1657 0.0109 -0.0569 0.0250 359 SER A CA 2156 C C . SER A 280 ? 0.1339 0.1438 0.1581 0.0058 -0.0345 0.0080 359 SER A C 2157 O O . SER A 280 ? 0.1452 0.1502 0.1623 0.0161 -0.0063 -0.0129 359 SER A O 2158 C CB . SER A 280 ? 0.1315 0.1562 0.2093 0.0003 -0.0716 0.0307 359 SER A CB 2159 O OG . SER A 280 ? 0.1266 0.1646 0.2272 -0.0008 -0.0556 -0.0140 359 SER A OG 2160 N N . VAL A 281 ? 0.1183 0.1461 0.1157 -0.0106 -0.0530 -0.0078 360 VAL A N 2161 C CA . VAL A 281 ? 0.1144 0.1370 0.1131 -0.0014 -0.0464 -0.0138 360 VAL A CA 2162 C C . VAL A 281 ? 0.1301 0.1370 0.1378 -0.0012 -0.0208 0.0055 360 VAL A C 2163 O O . VAL A 281 ? 0.1357 0.1565 0.1847 -0.0291 -0.0195 0.0213 360 VAL A O 2164 C CB . VAL A 281 ? 0.0975 0.1362 0.1795 0.0005 -0.0048 -0.0403 360 VAL A CB 2165 C CG1 . VAL A 281 ? 0.1111 0.1320 0.2102 -0.0021 0.0189 -0.0385 360 VAL A CG1 2166 C CG2 . VAL A 281 ? 0.0940 0.1387 0.2151 -0.0114 -0.0194 -0.0451 360 VAL A CG2 2167 N N . TRP A 282 ? 0.1313 0.1322 0.1199 0.0112 -0.0186 0.0016 361 TRP A N 2168 C CA . TRP A 282 ? 0.1346 0.1393 0.1476 -0.0049 -0.0183 -0.0257 361 TRP A CA 2169 C C . TRP A 282 ? 0.1423 0.1329 0.1360 -0.0189 -0.0319 -0.0206 361 TRP A C 2170 O O . TRP A 282 ? 0.1714 0.1368 0.1832 -0.0365 -0.0532 0.0004 361 TRP A O 2171 C CB . TRP A 282 ? 0.1421 0.1308 0.1770 -0.0081 -0.0386 -0.0474 361 TRP A CB 2172 C CG . TRP A 282 ? 0.1273 0.1580 0.1667 -0.0079 -0.0561 -0.0392 361 TRP A CG 2173 C CD1 . TRP A 282 ? 0.1264 0.1782 0.1733 -0.0027 -0.0392 -0.0270 361 TRP A CD1 2174 C CD2 . TRP A 282 ? 0.1203 0.1697 0.1594 -0.0051 -0.0629 -0.0267 361 TRP A CD2 2175 N NE1 . TRP A 282 ? 0.1317 0.1971 0.1809 0.0080 -0.0397 -0.0137 361 TRP A NE1 2176 C CE2 . TRP A 282 ? 0.1363 0.1865 0.1618 -0.0023 -0.0418 -0.0048 361 TRP A CE2 2177 C CE3 . TRP A 282 ? 0.1191 0.1631 0.1666 -0.0047 -0.0475 -0.0201 361 TRP A CE3 2178 C CZ2 . TRP A 282 ? 0.1313 0.1905 0.1833 0.0003 -0.0315 -0.0042 361 TRP A CZ2 2179 C CZ3 . TRP A 282 ? 0.1282 0.1803 0.1989 -0.0169 -0.0595 -0.0300 361 TRP A CZ3 2180 C CH2 . TRP A 282 ? 0.1410 0.1826 0.2069 -0.0095 -0.0580 -0.0143 361 TRP A CH2 2181 N N . ALA A 283 ? 0.1226 0.1179 0.0877 -0.0076 -0.0396 -0.0422 362 ALA A N 2182 C CA . ALA A 283 ? 0.1347 0.1105 0.1164 0.0058 -0.0269 -0.0012 362 ALA A CA 2183 C C . ALA A 283 ? 0.1225 0.1399 0.1493 -0.0012 -0.0213 0.0135 362 ALA A C 2184 O O . ALA A 283 ? 0.1328 0.1534 0.1768 -0.0069 -0.0039 0.0319 362 ALA A O 2185 C CB . ALA A 283 ? 0.1435 0.1156 0.1835 0.0016 -0.0129 0.0124 362 ALA A CB 2186 N N . GLY A 284 ? 0.1180 0.1324 0.1524 -0.0118 0.0056 0.0126 363 GLY A N 2187 C CA . GLY A 284 ? 0.1104 0.1241 0.0952 0.0048 0.0278 0.0162 363 GLY A CA 2188 C C . GLY A 284 ? 0.1170 0.1248 0.1293 0.0163 0.0213 0.0022 363 GLY A C 2189 O O . GLY A 284 ? 0.1451 0.1509 0.1367 0.0243 0.0097 0.0120 363 GLY A O 2190 N N . ARG A 285 ? 0.0943 0.1220 0.1275 0.0042 0.0218 -0.0303 364 ARG A N 2191 C CA . ARG A 285 ? 0.0613 0.1286 0.1235 0.0107 0.0091 -0.0149 364 ARG A CA 2192 C C . ARG A 285 ? 0.0876 0.1288 0.1383 0.0004 -0.0002 -0.0032 364 ARG A C 2193 O O . ARG A 285 ? 0.0818 0.1422 0.1597 -0.0043 -0.0067 -0.0167 364 ARG A O 2194 C CB . ARG A 285 ? 0.0512 0.1355 0.1782 0.0077 0.0200 0.0112 364 ARG A CB 2195 C CG . ARG A 285 ? 0.0457 0.1393 0.1834 0.0085 0.0051 -0.0028 364 ARG A CG 2196 C CD . ARG A 285 ? 0.0559 0.1457 0.1959 -0.0063 0.0039 -0.0154 364 ARG A CD 2197 N NE . ARG A 285 ? 0.0683 0.1321 0.1860 -0.0123 -0.0195 0.0018 364 ARG A NE 2198 C CZ . ARG A 285 ? 0.0918 0.1283 0.2261 -0.0076 0.0062 -0.0056 364 ARG A CZ 2199 N NH1 . ARG A 285 ? 0.0943 0.1214 0.2468 -0.0154 -0.0054 0.0104 364 ARG A NH1 2200 N NH2 . ARG A 285 ? 0.1213 0.1659 0.2193 0.0042 0.0243 -0.0167 364 ARG A NH2 2201 N N . THR A 286 ? 0.0951 0.1201 0.1096 -0.0014 -0.0096 0.0058 365 THR A N 2202 C CA . THR A 286 ? 0.1122 0.1176 0.1487 0.0075 -0.0171 0.0176 365 THR A CA 2203 C C . THR A 286 ? 0.1189 0.1103 0.1642 0.0023 0.0119 0.0223 365 THR A C 2204 O O . THR A 286 ? 0.1127 0.1355 0.1749 0.0225 0.0116 0.0044 365 THR A O 2205 C CB . THR A 286 ? 0.1106 0.1107 0.1710 0.0013 0.0147 -0.0136 365 THR A CB 2206 O OG1 . THR A 286 ? 0.1317 0.1051 0.1588 0.0169 0.0244 -0.0056 365 THR A OG1 2207 C CG2 . THR A 286 ? 0.1038 0.1209 0.2093 -0.0133 -0.0016 -0.0198 365 THR A CG2 2208 N N . VAL A 287 ? 0.1161 0.1245 0.1684 -0.0293 0.0491 0.0277 366 VAL A N 2209 C CA . VAL A 287 ? 0.1130 0.1269 0.1710 0.0015 0.0494 0.0146 366 VAL A CA 2210 C C . VAL A 287 ? 0.1171 0.1413 0.1909 0.0090 0.0365 -0.0067 366 VAL A C 2211 O O . VAL A 287 ? 0.1156 0.1459 0.2324 0.0222 0.0476 -0.0281 366 VAL A O 2212 C CB . VAL A 287 ? 0.1027 0.1152 0.1543 -0.0011 0.0721 0.0051 366 VAL A CB 2213 C CG1 . VAL A 287 ? 0.0837 0.1285 0.1947 -0.0027 0.0491 0.0136 366 VAL A CG1 2214 C CG2 . VAL A 287 ? 0.1277 0.1299 0.1377 -0.0036 0.0404 -0.0081 366 VAL A CG2 2215 N N . SER A 288 ? 0.1432 0.1405 0.1938 -0.0026 0.0308 -0.0151 367 SER A N 2216 C CA . SER A 288 ? 0.1484 0.1294 0.1572 0.0173 0.0233 -0.0243 367 SER A CA 2217 C C . SER A 288 ? 0.1530 0.1486 0.1523 0.0125 0.0338 -0.0107 367 SER A C 2218 O O . SER A 288 ? 0.1588 0.1433 0.1696 -0.0167 0.0630 -0.0018 367 SER A O 2219 C CB . SER A 288 ? 0.1589 0.1335 0.1398 0.0235 0.0060 -0.0296 367 SER A CB 2220 O OG . SER A 288 ? 0.1502 0.1306 0.1540 0.0233 0.0241 -0.0189 367 SER A OG 2221 N N . ILE A 289 ? 0.1270 0.1666 0.1677 0.0310 0.0181 -0.0033 368 ILE A N 2222 C CA . ILE A 289 ? 0.1207 0.1695 0.1874 0.0147 0.0367 0.0153 368 ILE A CA 2223 C C . ILE A 289 ? 0.1225 0.1895 0.2010 0.0087 0.0364 0.0168 368 ILE A C 2224 O O . ILE A 289 ? 0.1115 0.1730 0.2246 0.0032 0.0397 0.0318 368 ILE A O 2225 C CB . ILE A 289 ? 0.1071 0.1841 0.2019 0.0074 0.0453 -0.0029 368 ILE A CB 2226 C CG1 . ILE A 289 ? 0.1154 0.2037 0.2043 0.0065 0.0752 -0.0143 368 ILE A CG1 2227 C CG2 . ILE A 289 ? 0.0989 0.1829 0.2369 0.0128 0.0028 -0.0095 368 ILE A CG2 2228 C CD1 . ILE A 289 ? 0.1435 0.2172 0.2336 -0.0050 0.0918 -0.0207 368 ILE A CD1 2229 N N . SER A 290 ? 0.1383 0.2012 0.1908 0.0102 0.0315 -0.0118 369 SER A N 2230 C CA . SER A 290 ? 0.1524 0.2324 0.1989 0.0189 0.0237 -0.0274 369 SER A CA 2231 C C . SER A 290 ? 0.1486 0.2305 0.2692 0.0101 0.0343 -0.0215 369 SER A C 2232 O O . SER A 290 ? 0.1648 0.2393 0.3886 0.0141 0.0104 -0.0362 369 SER A O 2233 C CB . SER A 290 ? 0.2143 0.2559 0.1871 0.0203 0.0359 -0.0526 369 SER A CB 2234 O OG . SER A 290 ? 0.2612 0.2912 0.2172 -0.0037 0.0559 -0.0763 369 SER A OG 2235 N N . SER A 291 ? 0.1522 0.2187 0.2067 0.0001 0.0700 -0.0381 370 SER A N 2236 C CA . SER A 291 ? 0.1681 0.2040 0.1452 0.0136 0.0469 -0.0076 370 SER A CA 2237 C C . SER A 291 ? 0.1444 0.1681 0.1295 0.0241 0.0483 0.0004 370 SER A C 2238 O O . SER A 291 ? 0.1506 0.1361 0.1091 0.0371 0.0118 0.0189 370 SER A O 2239 C CB . SER A 291 ? 0.2241 0.2413 0.2096 -0.0059 0.0377 0.0287 370 SER A CB 2240 O OG . SER A 291 ? 0.2756 0.3029 0.2449 -0.0046 0.0183 0.0434 370 SER A OG 2241 N N . ARG A 292 ? 0.1325 0.1455 0.1246 0.0185 0.0422 -0.0096 371 ARG A N 2242 C CA . ARG A 292 ? 0.0990 0.1159 0.1107 0.0040 0.0365 -0.0161 371 ARG A CA 2243 C C . ARG A 292 ? 0.1191 0.1345 0.1151 0.0079 0.0317 -0.0003 371 ARG A C 2244 O O . ARG A 292 ? 0.1150 0.1354 0.1311 0.0269 0.0230 0.0013 371 ARG A O 2245 C CB . ARG A 292 ? 0.0992 0.1023 0.1283 -0.0162 0.0585 0.0256 371 ARG A CB 2246 C CG . ARG A 292 ? 0.1010 0.0882 0.1169 -0.0278 0.0126 0.0271 371 ARG A CG 2247 C CD . ARG A 292 ? 0.0913 0.0675 0.1428 -0.0249 0.0035 0.0100 371 ARG A CD 2248 N NE . ARG A 292 ? 0.1027 0.0650 0.1382 -0.0125 0.0209 -0.0049 371 ARG A NE 2249 C CZ . ARG A 292 ? 0.0815 0.0772 0.1404 0.0177 0.0259 -0.0196 371 ARG A CZ 2250 N NH1 . ARG A 292 ? 0.0924 0.1165 0.1146 0.0305 0.0419 -0.0428 371 ARG A NH1 2251 N NH2 . ARG A 292 ? 0.0809 0.1091 0.0980 0.0205 0.0033 -0.0109 371 ARG A NH2 2252 N N . SER A 293 ? 0.1166 0.1243 0.1121 -0.0075 0.0327 0.0160 372 SER A N 2253 C CA . SER A 293 ? 0.1443 0.1534 0.1035 0.0012 0.0315 0.0129 372 SER A CA 2254 C C . SER A 293 ? 0.1287 0.1262 0.1256 -0.0034 0.0091 0.0108 372 SER A C 2255 O O . SER A 293 ? 0.1353 0.1227 0.1203 -0.0112 0.0071 0.0068 372 SER A O 2256 C CB . SER A 293 ? 0.1918 0.2314 0.1554 0.0269 0.0269 -0.0276 372 SER A CB 2257 O OG . SER A 293 ? 0.2588 0.2679 0.2323 0.0010 0.0244 -0.0056 372 SER A OG 2258 N N . GLY A 294 ? 0.1350 0.1118 0.1219 -0.0179 0.0024 -0.0061 373 GLY A N 2259 C CA . GLY A 294 ? 0.1270 0.1066 0.0959 -0.0278 -0.0118 -0.0148 373 GLY A CA 2260 C C . GLY A 294 ? 0.1282 0.1072 0.1084 -0.0113 0.0029 -0.0183 373 GLY A C 2261 O O . GLY A 294 ? 0.1178 0.0912 0.1214 -0.0071 -0.0094 -0.0302 373 GLY A O 2262 N N . PHE A 295 ? 0.1291 0.1270 0.0872 -0.0018 0.0146 0.0106 374 PHE A N 2263 C CA . PHE A 295 ? 0.1107 0.1352 0.0977 -0.0040 0.0201 -0.0076 374 PHE A CA 2264 C C . PHE A 295 ? 0.1085 0.1454 0.1409 -0.0081 -0.0187 -0.0044 374 PHE A C 2265 O O . PHE A 295 ? 0.1050 0.1338 0.1407 -0.0134 -0.0130 0.0013 374 PHE A O 2266 C CB . PHE A 295 ? 0.0968 0.1198 0.1238 0.0071 0.0404 -0.0087 374 PHE A CB 2267 C CG . PHE A 295 ? 0.0891 0.1156 0.1255 0.0078 0.0442 -0.0171 374 PHE A CG 2268 C CD1 . PHE A 295 ? 0.0871 0.1000 0.1744 -0.0175 0.0408 -0.0078 374 PHE A CD1 2269 C CD2 . PHE A 295 ? 0.1073 0.1192 0.1223 -0.0028 0.0380 -0.0044 374 PHE A CD2 2270 C CE1 . PHE A 295 ? 0.0890 0.1153 0.1597 -0.0089 0.0354 -0.0125 374 PHE A CE1 2271 C CE2 . PHE A 295 ? 0.1087 0.1043 0.1469 -0.0086 0.0083 0.0051 374 PHE A CE2 2272 C CZ . PHE A 295 ? 0.0991 0.1016 0.1519 -0.0050 0.0318 -0.0367 374 PHE A CZ 2273 N N . GLU A 296 ? 0.0922 0.1475 0.1497 -0.0020 -0.0260 -0.0164 375 GLU A N 2274 C CA . GLU A 296 ? 0.0978 0.1422 0.1413 -0.0041 -0.0224 -0.0339 375 GLU A CA 2275 C C . GLU A 296 ? 0.1163 0.1445 0.1334 -0.0049 -0.0357 -0.0179 375 GLU A C 2276 O O . GLU A 296 ? 0.1299 0.1496 0.1348 -0.0004 -0.0268 0.0102 375 GLU A O 2277 C CB . GLU A 296 ? 0.0997 0.1364 0.1735 0.0015 0.0314 -0.0168 375 GLU A CB 2278 C CG . GLU A 296 ? 0.1212 0.1554 0.2288 0.0310 0.0439 -0.0002 375 GLU A CG 2279 C CD . GLU A 296 ? 0.1545 0.1765 0.2925 0.0206 0.0285 0.0364 375 GLU A CD 2280 O OE1 . GLU A 296 ? 0.1784 0.1903 0.3317 -0.0072 0.0451 0.0463 375 GLU A OE1 2281 O OE2 . GLU A 296 ? 0.1714 0.2024 0.3307 0.0287 0.0320 0.0573 375 GLU A OE2 2282 N N . ILE A 297 ? 0.1126 0.1440 0.0989 -0.0012 -0.0601 -0.0107 376 ILE A N 2283 C CA . ILE A 297 ? 0.1103 0.1553 0.1155 0.0180 -0.0304 -0.0298 376 ILE A CA 2284 C C . ILE A 297 ? 0.1047 0.1538 0.1817 -0.0033 -0.0194 -0.0315 376 ILE A C 2285 O O . ILE A 297 ? 0.1327 0.1488 0.2194 -0.0329 -0.0622 -0.0105 376 ILE A O 2286 C CB . ILE A 297 ? 0.1442 0.1964 0.1705 0.0485 -0.0123 -0.0031 376 ILE A CB 2287 C CG1 . ILE A 297 ? 0.1825 0.2161 0.2665 0.0412 -0.0221 0.0061 376 ILE A CG1 2288 C CG2 . ILE A 297 ? 0.1629 0.2277 0.1947 0.0526 -0.0235 -0.0193 376 ILE A CG2 2289 C CD1 . ILE A 297 ? 0.1963 0.2435 0.3288 0.0457 -0.0452 0.0280 376 ILE A CD1 2290 N N . LEU A 298 ? 0.0952 0.1861 0.1800 -0.0025 -0.0147 -0.0087 377 LEU A N 2291 C CA . LEU A 298 ? 0.1084 0.1992 0.1393 0.0092 -0.0165 -0.0368 377 LEU A CA 2292 C C . LEU A 298 ? 0.1126 0.1795 0.1558 -0.0106 -0.0386 -0.0280 377 LEU A C 2293 O O . LEU A 298 ? 0.1184 0.1695 0.1624 -0.0358 -0.0306 -0.0306 377 LEU A O 2294 C CB . LEU A 298 ? 0.1475 0.2255 0.1436 0.0516 0.0308 -0.0522 377 LEU A CB 2295 C CG . LEU A 298 ? 0.1933 0.2727 0.1994 0.0822 0.0376 -0.0766 377 LEU A CG 2296 C CD1 . LEU A 298 ? 0.2271 0.3000 0.2742 0.0776 0.0385 -0.0553 377 LEU A CD1 2297 C CD2 . LEU A 298 ? 0.2351 0.2840 0.2096 0.0937 0.0430 -0.0499 377 LEU A CD2 2298 N N . LEU A 299 ? 0.1212 0.1748 0.1549 -0.0263 -0.0596 -0.0159 378 LEU A N 2299 C CA . LEU A 299 ? 0.1161 0.1644 0.1460 -0.0259 -0.0433 -0.0298 378 LEU A CA 2300 C C . LEU A 299 ? 0.1052 0.1688 0.1888 -0.0140 -0.0315 -0.0128 378 LEU A C 2301 O O . LEU A 299 ? 0.1042 0.1783 0.2174 -0.0135 -0.0182 0.0128 378 LEU A O 2302 C CB . LEU A 299 ? 0.1371 0.1566 0.1229 -0.0396 -0.0376 -0.0318 378 LEU A CB 2303 C CG . LEU A 299 ? 0.1748 0.1625 0.1268 -0.0336 -0.0298 -0.0283 378 LEU A CG 2304 C CD1 . LEU A 299 ? 0.1864 0.1631 0.1194 -0.0243 -0.0420 -0.0217 378 LEU A CD1 2305 C CD2 . LEU A 299 ? 0.1892 0.1491 0.1664 -0.0353 -0.0300 -0.0184 378 LEU A CD2 2306 N N . ILE A 300 ? 0.0929 0.1488 0.1924 0.0172 -0.0399 -0.0080 379 ILE A N 2307 C CA . ILE A 300 ? 0.1046 0.1466 0.1886 0.0194 -0.0476 -0.0197 379 ILE A CA 2308 C C . ILE A 300 ? 0.1081 0.1670 0.2234 0.0197 -0.0400 -0.0359 379 ILE A C 2309 O O . ILE A 300 ? 0.1040 0.1840 0.2319 0.0236 -0.0161 -0.0486 379 ILE A O 2310 C CB . ILE A 300 ? 0.1197 0.1373 0.2084 0.0184 -0.0425 -0.0008 379 ILE A CB 2311 C CG1 . ILE A 300 ? 0.1323 0.1524 0.2400 -0.0121 -0.0410 -0.0428 379 ILE A CG1 2312 C CG2 . ILE A 300 ? 0.1268 0.1542 0.2559 0.0157 -0.0174 0.0267 379 ILE A CG2 2313 C CD1 . ILE A 300 ? 0.1373 0.1800 0.2286 -0.0186 -0.0419 -0.0719 379 ILE A CD1 2314 N N . GLU A 301 ? 0.1155 0.1827 0.2400 0.0064 -0.0593 -0.0390 380 GLU A N 2315 C CA . GLU A 301 ? 0.1303 0.2000 0.2529 -0.0071 -0.0527 -0.0351 380 GLU A CA 2316 C C . GLU A 301 ? 0.1294 0.2083 0.2525 -0.0008 -0.0413 -0.0246 380 GLU A C 2317 O O . GLU A 301 ? 0.1534 0.2246 0.2676 0.0146 -0.0272 -0.0274 380 GLU A O 2318 C CB . GLU A 301 ? 0.1741 0.2306 0.3201 -0.0285 -0.0601 -0.0258 380 GLU A CB 2319 C CG . GLU A 301 ? 0.2170 0.2694 0.3665 -0.0475 -0.0659 -0.0337 380 GLU A CG 2320 C CD . GLU A 301 ? 0.2727 0.3134 0.4488 -0.0474 -0.0400 -0.0404 380 GLU A CD 2321 O OE1 . GLU A 301 ? 0.2867 0.3431 0.4896 -0.0378 -0.0339 -0.0338 380 GLU A OE1 2322 O OE2 . GLU A 301 ? 0.3084 0.3246 0.4973 -0.0680 -0.0369 -0.0243 380 GLU A OE2 2323 N N . ASP A 302 ? 0.1192 0.2214 0.2676 0.0003 -0.0346 -0.0158 381 ASP A N 2324 C CA . ASP A 302 ? 0.1166 0.2387 0.2621 0.0189 -0.0477 -0.0015 381 ASP A CA 2325 C C . ASP A 302 ? 0.1122 0.2312 0.2174 0.0270 -0.0481 -0.0116 381 ASP A C 2326 O O . ASP A 302 ? 0.1215 0.2342 0.2224 0.0361 -0.0261 -0.0035 381 ASP A O 2327 C CB . ASP A 302 ? 0.1331 0.2703 0.3068 0.0045 -0.0731 0.0024 381 ASP A CB 2328 C CG . ASP A 302 ? 0.1542 0.3102 0.3793 -0.0001 -0.0639 0.0070 381 ASP A CG 2329 O OD1 . ASP A 302 ? 0.1760 0.3248 0.3762 -0.0081 -0.0794 0.0047 381 ASP A OD1 2330 O OD2 . ASP A 302 ? 0.1726 0.3393 0.4325 -0.0172 -0.0466 -0.0027 381 ASP A OD2 2331 N N . GLY A 303 ? 0.1037 0.2105 0.1664 0.0120 -0.0742 -0.0407 382 GLY A N 2332 C CA . GLY A 303 ? 0.1031 0.1862 0.1824 -0.0030 -0.0824 -0.0352 382 GLY A CA 2333 C C . GLY A 303 ? 0.1139 0.1629 0.1710 0.0025 -0.0528 -0.0213 382 GLY A C 2334 O O . GLY A 303 ? 0.1195 0.1753 0.1858 -0.0004 -0.0121 -0.0407 382 GLY A O 2335 N N . TRP A 304 ? 0.1175 0.1443 0.1983 0.0061 -0.0389 -0.0014 383 TRP A N 2336 C CA . TRP A 304 ? 0.1314 0.1705 0.1851 -0.0003 -0.0087 0.0116 383 TRP A CA 2337 C C . TRP A 304 ? 0.1499 0.1886 0.2324 -0.0019 -0.0002 0.0218 383 TRP A C 2338 O O . TRP A 304 ? 0.1878 0.1903 0.2919 -0.0002 0.0274 0.0587 383 TRP A O 2339 C CB . TRP A 304 ? 0.1256 0.1641 0.1806 -0.0003 -0.0031 0.0061 383 TRP A CB 2340 C CG . TRP A 304 ? 0.1510 0.1611 0.1737 0.0220 -0.0005 -0.0029 383 TRP A CG 2341 C CD1 . TRP A 304 ? 0.1520 0.1655 0.2204 0.0253 -0.0005 -0.0008 383 TRP A CD1 2342 C CD2 . TRP A 304 ? 0.1572 0.1738 0.1641 0.0005 -0.0112 -0.0149 383 TRP A CD2 2343 N NE1 . TRP A 304 ? 0.1426 0.1726 0.2059 0.0251 -0.0187 0.0072 383 TRP A NE1 2344 C CE2 . TRP A 304 ? 0.1609 0.1689 0.1886 0.0140 -0.0359 -0.0162 383 TRP A CE2 2345 C CE3 . TRP A 304 ? 0.1541 0.1794 0.1388 -0.0053 -0.0302 -0.0366 383 TRP A CE3 2346 C CZ2 . TRP A 304 ? 0.1589 0.1862 0.2010 0.0176 -0.0190 0.0081 383 TRP A CZ2 2347 C CZ3 . TRP A 304 ? 0.1496 0.1856 0.1724 -0.0009 -0.0213 -0.0197 383 TRP A CZ3 2348 C CH2 . TRP A 304 ? 0.1440 0.1957 0.1950 0.0133 -0.0294 -0.0017 383 TRP A CH2 2349 N N . ILE A 305 ? 0.1437 0.2113 0.1911 0.0116 -0.0190 -0.0039 384 ILE A N 2350 C CA . ILE A 305 ? 0.1684 0.2218 0.2337 0.0200 -0.0262 -0.0040 384 ILE A CA 2351 C C . ILE A 305 ? 0.1751 0.2401 0.2524 0.0327 -0.0237 -0.0016 384 ILE A C 2352 O O . ILE A 305 ? 0.1990 0.2524 0.2644 0.0399 -0.0316 0.0242 384 ILE A O 2353 C CB . ILE A 305 ? 0.1841 0.2313 0.2578 0.0224 -0.0431 0.0064 384 ILE A CB 2354 C CG1 . ILE A 305 ? 0.1966 0.2366 0.2804 0.0363 -0.0781 -0.0145 384 ILE A CG1 2355 C CG2 . ILE A 305 ? 0.1782 0.2394 0.2485 0.0266 -0.0172 -0.0065 384 ILE A CG2 2356 C CD1 . ILE A 305 ? 0.1923 0.2530 0.2626 0.0572 -0.1044 0.0012 384 ILE A CD1 2357 N N . ARG A 306 ? 0.1608 0.2468 0.2498 0.0263 -0.0131 -0.0099 385 ARG A N 2358 C CA . ARG A 306 ? 0.1660 0.2648 0.2771 0.0055 -0.0109 -0.0128 385 ARG A CA 2359 C C . ARG A 306 ? 0.1367 0.2349 0.2506 0.0086 0.0003 0.0087 385 ARG A C 2360 O O . ARG A 306 ? 0.1096 0.2241 0.2333 0.0128 -0.0028 0.0332 385 ARG A O 2361 C CB . ARG A 306 ? 0.2156 0.2985 0.3352 -0.0150 -0.0271 -0.0342 385 ARG A CB 2362 C CG . ARG A 306 ? 0.2268 0.3085 0.3759 -0.0386 -0.0506 -0.0303 385 ARG A CG 2363 C CD . ARG A 306 ? 0.2439 0.3301 0.4297 -0.0464 -0.0715 -0.0260 385 ARG A CD 2364 N NE . ARG A 306 ? 0.2387 0.3401 0.4626 -0.0636 -0.0684 -0.0263 385 ARG A NE 2365 C CZ . ARG A 306 ? 0.2174 0.3492 0.4620 -0.0699 -0.0514 -0.0160 385 ARG A CZ 2366 N NH1 . ARG A 306 ? 0.1783 0.3445 0.4401 -0.0510 -0.0829 -0.0295 385 ARG A NH1 2367 N NH2 . ARG A 306 ? 0.2240 0.3421 0.4785 -0.0697 -0.0262 -0.0167 385 ARG A NH2 2368 N N . THR A 307 ? 0.1231 0.2160 0.2525 0.0053 0.0140 -0.0071 387 THR A N 2369 C CA . THR A 307 ? 0.1246 0.2050 0.2600 0.0183 -0.0031 -0.0111 387 THR A CA 2370 C C . THR A 307 ? 0.1269 0.2114 0.2577 0.0100 -0.0029 -0.0142 387 THR A C 2371 O O . THR A 307 ? 0.1354 0.2210 0.2576 0.0116 0.0048 0.0076 387 THR A O 2372 C CB . THR A 307 ? 0.1135 0.2023 0.3156 0.0310 0.0061 -0.0323 387 THR A CB 2373 O OG1 . THR A 307 ? 0.1187 0.1971 0.3685 0.0234 0.0039 -0.0229 387 THR A OG1 2374 C CG2 . THR A 307 ? 0.1267 0.2212 0.3468 0.0252 0.0049 -0.0346 387 THR A CG2 2375 N N . SER A 308 ? 0.1439 0.1884 0.2642 0.0123 0.0027 -0.0188 388 SER A N 2376 C CA . SER A 308 ? 0.1609 0.1803 0.2457 -0.0051 0.0217 -0.0412 388 SER A CA 2377 C C . SER A 308 ? 0.1673 0.1948 0.2503 -0.0055 0.0210 -0.0252 388 SER A C 2378 O O . SER A 308 ? 0.1730 0.2071 0.2791 -0.0013 0.0232 0.0013 388 SER A O 2379 C CB . SER A 308 ? 0.1723 0.1718 0.2218 -0.0117 0.0457 -0.0420 388 SER A CB 2380 O OG . SER A 308 ? 0.1910 0.1612 0.2618 -0.0019 0.0347 -0.0031 388 SER A OG 2381 N N . LYS A 309 ? 0.1718 0.2061 0.2304 0.0104 0.0264 -0.0383 389 LYS A N 2382 C CA . LYS A 309 ? 0.1660 0.2223 0.2139 -0.0074 0.0025 -0.0389 389 LYS A CA 2383 C C . LYS A 309 ? 0.1610 0.2319 0.2485 -0.0074 -0.0042 0.0063 389 LYS A C 2384 O O . LYS A 309 ? 0.1812 0.2358 0.2849 -0.0207 0.0120 0.0405 389 LYS A O 2385 C CB . LYS A 309 ? 0.1506 0.2540 0.2403 -0.0200 -0.0014 -0.0475 389 LYS A CB 2386 C CG . LYS A 309 ? 0.1545 0.2773 0.2741 -0.0144 -0.0020 -0.0613 389 LYS A CG 2387 C CD . LYS A 309 ? 0.1624 0.3045 0.3034 -0.0092 0.0088 -0.0617 389 LYS A CD 2388 C CE . LYS A 309 ? 0.1537 0.3149 0.3038 -0.0191 -0.0029 -0.0321 389 LYS A CE 2389 N NZ . LYS A 309 ? 0.1422 0.3099 0.2691 -0.0165 -0.0091 -0.0260 389 LYS A NZ 2390 N N . THR A 310 ? 0.1167 0.2166 0.2216 0.0017 -0.0233 -0.0148 390 THR A N 2391 C CA . THR A 310 ? 0.1060 0.2040 0.2399 0.0144 -0.0189 -0.0076 390 THR A CA 2392 C C . THR A 310 ? 0.1088 0.2253 0.2500 0.0149 -0.0014 -0.0005 390 THR A C 2393 O O . THR A 310 ? 0.0973 0.2314 0.2468 0.0089 0.0259 -0.0139 390 THR A O 2394 C CB . THR A 310 ? 0.1447 0.2140 0.2865 0.0120 -0.0276 -0.0153 390 THR A CB 2395 O OG1 . THR A 310 ? 0.1523 0.2558 0.3056 0.0156 -0.0459 0.0138 390 THR A OG1 2396 C CG2 . THR A 310 ? 0.1657 0.2146 0.2997 -0.0168 -0.0167 -0.0512 390 THR A CG2 2397 N N . ILE A 311 ? 0.1163 0.2344 0.2609 0.0157 -0.0100 0.0259 391 ILE A N 2398 C CA . ILE A 311 ? 0.1408 0.2415 0.2569 0.0242 -0.0146 0.0097 391 ILE A CA 2399 C C . ILE A 311 ? 0.1587 0.2555 0.2795 -0.0072 -0.0142 0.0447 391 ILE A C 2400 O O . ILE A 311 ? 0.1824 0.2769 0.2955 -0.0142 0.0194 0.0560 391 ILE A O 2401 C CB . ILE A 311 ? 0.1464 0.2413 0.2574 0.0284 -0.0508 0.0006 391 ILE A CB 2402 C CG1 . ILE A 311 ? 0.1894 0.2561 0.2694 0.0248 -0.0538 -0.0257 391 ILE A CG1 2403 C CG2 . ILE A 311 ? 0.1465 0.2578 0.2851 0.0219 -0.0817 0.0255 391 ILE A CG2 2404 C CD1 . ILE A 311 ? 0.2134 0.2619 0.3094 0.0147 -0.0441 -0.0479 391 ILE A CD1 2405 N N . VAL A 312 ? 0.1514 0.2499 0.2853 -0.0074 -0.0358 0.0289 392 VAL A N 2406 C CA . VAL A 312 ? 0.1916 0.2416 0.3048 -0.0286 -0.0525 -0.0045 392 VAL A CA 2407 C C . VAL A 312 ? 0.1620 0.2127 0.2929 -0.0442 -0.0487 0.0095 392 VAL A C 2408 O O . VAL A 312 ? 0.1600 0.1917 0.3422 -0.0532 -0.0533 -0.0040 392 VAL A O 2409 C CB . VAL A 312 ? 0.2688 0.2845 0.3410 -0.0241 -0.0507 -0.0175 392 VAL A CB 2410 C CG1 . VAL A 312 ? 0.2778 0.2976 0.3577 -0.0459 -0.0500 -0.0254 392 VAL A CG1 2411 C CG2 . VAL A 312 ? 0.3043 0.3131 0.3727 -0.0214 -0.0549 -0.0124 392 VAL A CG2 2412 N N . LYS A 313 ? 0.1364 0.2082 0.2615 -0.0179 -0.0497 0.0158 393 LYS A N 2413 C CA . LYS A 313 ? 0.1645 0.2087 0.2656 -0.0012 -0.0423 0.0217 393 LYS A CA 2414 C C . LYS A 313 ? 0.1424 0.1744 0.2457 -0.0031 -0.0587 0.0302 393 LYS A C 2415 O O . LYS A 313 ? 0.1386 0.1608 0.2432 -0.0027 -0.0336 0.0336 393 LYS A O 2416 C CB . LYS A 313 ? 0.1731 0.2444 0.2966 0.0290 -0.0147 0.0097 393 LYS A CB 2417 C CG . LYS A 313 ? 0.2088 0.2842 0.3615 0.0467 -0.0029 -0.0182 393 LYS A CG 2418 C CD . LYS A 313 ? 0.2338 0.3155 0.3889 0.0642 0.0105 -0.0423 393 LYS A CD 2419 C CE . LYS A 313 ? 0.2662 0.3454 0.4197 0.0773 -0.0092 -0.0519 393 LYS A CE 2420 N NZ . LYS A 313 ? 0.2890 0.3760 0.4567 0.0868 0.0026 -0.0625 393 LYS A NZ 2421 N N . LYS A 314 ? 0.1538 0.1792 0.2494 0.0000 -0.0742 0.0165 394 LYS A N 2422 C CA . LYS A 314 ? 0.1780 0.1956 0.3059 -0.0231 -0.0698 0.0219 394 LYS A CA 2423 C C . LYS A 314 ? 0.1654 0.1867 0.3155 -0.0203 -0.1017 0.0199 394 LYS A C 2424 O O . LYS A 314 ? 0.1842 0.2083 0.4073 -0.0328 -0.1211 0.0458 394 LYS A O 2425 C CB . LYS A 314 ? 0.2202 0.2536 0.3276 -0.0286 -0.0518 0.0094 394 LYS A CB 2426 C CG . LYS A 314 ? 0.2851 0.3291 0.4007 -0.0300 -0.0121 0.0111 394 LYS A CG 2427 C CD . LYS A 314 ? 0.3472 0.3848 0.4572 -0.0280 0.0080 -0.0015 394 LYS A CD 2428 C CE . LYS A 314 ? 0.3914 0.4306 0.4899 -0.0207 0.0322 0.0045 394 LYS A CE 2429 N NZ . LYS A 314 ? 0.4224 0.4614 0.5149 -0.0121 0.0357 0.0071 394 LYS A NZ 2430 N N . VAL A 315 ? 0.1596 0.1794 0.2287 -0.0043 -0.1039 -0.0075 395 VAL A N 2431 C CA . VAL A 315 ? 0.1829 0.1843 0.1965 -0.0084 -0.0770 -0.0076 395 VAL A CA 2432 C C . VAL A 315 ? 0.1576 0.1793 0.1677 -0.0016 -0.0436 -0.0098 395 VAL A C 2433 O O . VAL A 315 ? 0.1470 0.1897 0.1774 -0.0229 -0.0193 -0.0242 395 VAL A O 2434 C CB . VAL A 315 ? 0.2229 0.2047 0.2261 -0.0196 -0.0580 -0.0022 395 VAL A CB 2435 C CG1 . VAL A 315 ? 0.2439 0.2313 0.3087 -0.0419 -0.0698 -0.0081 395 VAL A CG1 2436 C CG2 . VAL A 315 ? 0.2364 0.2150 0.1852 -0.0064 -0.0872 -0.0173 395 VAL A CG2 2437 N N . GLU A 316 ? 0.1504 0.1653 0.1686 0.0195 -0.0333 -0.0061 396 GLU A N 2438 C CA . GLU A 316 ? 0.1351 0.1458 0.1343 0.0139 -0.0125 -0.0293 396 GLU A CA 2439 C C . GLU A 316 ? 0.1177 0.1348 0.1704 0.0212 -0.0144 -0.0205 396 GLU A C 2440 O O . GLU A 316 ? 0.1413 0.1363 0.2243 0.0091 -0.0050 -0.0218 396 GLU A O 2441 C CB . GLU A 316 ? 0.1506 0.1752 0.1508 -0.0077 0.0165 -0.0402 396 GLU A CB 2442 C CG . GLU A 316 ? 0.1797 0.2093 0.1822 0.0183 0.0268 -0.0176 396 GLU A CG 2443 C CD . GLU A 316 ? 0.2129 0.2313 0.2385 0.0375 0.0165 0.0240 396 GLU A CD 2444 O OE1 . GLU A 316 ? 0.2224 0.2417 0.2779 0.0512 0.0072 0.0312 396 GLU A OE1 2445 O OE2 . GLU A 316 ? 0.2421 0.2539 0.2772 0.0329 0.0372 0.0344 396 GLU A OE2 2446 N N . VAL A 317 ? 0.0976 0.1389 0.1254 0.0156 0.0102 -0.0053 397 VAL A N 2447 C CA . VAL A 317 ? 0.1029 0.1276 0.1274 0.0149 0.0190 -0.0258 397 VAL A CA 2448 C C . VAL A 317 ? 0.0956 0.1108 0.1167 0.0107 0.0205 -0.0313 397 VAL A C 2449 O O . VAL A 317 ? 0.1023 0.1278 0.1368 0.0111 0.0308 -0.0134 397 VAL A O 2450 C CB . VAL A 317 ? 0.1243 0.1165 0.1323 -0.0187 -0.0141 -0.0346 397 VAL A CB 2451 C CG1 . VAL A 317 ? 0.1326 0.1273 0.1312 -0.0121 -0.0167 -0.0223 397 VAL A CG1 2452 C CG2 . VAL A 317 ? 0.1307 0.1304 0.1670 -0.0091 -0.0063 -0.0501 397 VAL A CG2 2453 N N . LEU A 318 ? 0.0997 0.1143 0.1075 -0.0092 -0.0013 -0.0271 398 LEU A N 2454 C CA . LEU A 318 ? 0.1000 0.0941 0.1262 -0.0214 0.0068 -0.0181 398 LEU A CA 2455 C C . LEU A 318 ? 0.1204 0.1045 0.1385 -0.0168 0.0324 -0.0186 398 LEU A C 2456 O O . LEU A 318 ? 0.1182 0.0978 0.1530 0.0010 0.0066 0.0069 398 LEU A O 2457 C CB . LEU A 318 ? 0.0863 0.0805 0.1240 -0.0265 -0.0292 -0.0319 398 LEU A CB 2458 C CG . LEU A 318 ? 0.0857 0.0774 0.1363 -0.0116 -0.0365 -0.0290 398 LEU A CG 2459 C CD1 . LEU A 318 ? 0.0939 0.0824 0.1596 0.0165 0.0014 -0.0111 398 LEU A CD1 2460 C CD2 . LEU A 318 ? 0.1099 0.0991 0.1727 -0.0275 -0.0302 -0.0045 398 LEU A CD2 2461 N N . ASN A 319 ? 0.1348 0.1354 0.1430 -0.0043 0.0490 -0.0332 399 ASN A N 2462 C CA . ASN A 319 ? 0.1499 0.1570 0.1591 0.0022 0.0579 -0.0152 399 ASN A CA 2463 C C . ASN A 319 ? 0.1297 0.1513 0.1312 0.0043 0.0251 -0.0136 399 ASN A C 2464 O O . ASN A 319 ? 0.1227 0.1429 0.1028 -0.0061 0.0091 -0.0108 399 ASN A O 2465 C CB . ASN A 319 ? 0.1859 0.1725 0.1891 0.0146 0.0628 0.0282 399 ASN A CB 2466 C CG . ASN A 319 ? 0.2035 0.1837 0.2500 0.0286 0.0695 0.0495 399 ASN A CG 2467 O OD1 . ASN A 319 ? 0.2142 0.1875 0.2593 0.0339 0.0439 0.0503 399 ASN A OD1 2468 N ND2 . ASN A 319 ? 0.2251 0.2075 0.2744 0.0261 0.0832 0.0539 399 ASN A ND2 2469 N N . ASN A 320 ? 0.1346 0.1577 0.1404 0.0150 0.0428 -0.0130 400 ASN A N 2470 C CA . ASN A 320 ? 0.1483 0.1830 0.1508 0.0205 0.0219 -0.0404 400 ASN A CA 2471 C C . ASN A 320 ? 0.1730 0.2062 0.1582 -0.0007 0.0234 -0.0276 400 ASN A C 2472 O O . ASN A 320 ? 0.2232 0.2237 0.2059 0.0210 0.0030 -0.0327 400 ASN A O 2473 C CB . ASN A 320 ? 0.1543 0.1833 0.1881 0.0305 0.0290 -0.0399 400 ASN A CB 2474 C CG . ASN A 320 ? 0.1829 0.1944 0.2320 0.0287 0.0494 -0.0352 400 ASN A CG 2475 O OD1 . ASN A 320 ? 0.2082 0.1840 0.2555 0.0296 0.0596 -0.0405 400 ASN A OD1 2476 N ND2 . ASN A 320 ? 0.2020 0.2088 0.2295 0.0300 0.0502 -0.0239 400 ASN A ND2 2477 N N . LYS A 321 ? 0.1598 0.2103 0.1246 -0.0326 0.0638 0.0125 401 LYS A N 2478 C CA . LYS A 321 ? 0.1707 0.2216 0.1488 -0.0356 0.0750 0.0378 401 LYS A CA 2479 C C . LYS A 321 ? 0.1654 0.1898 0.1376 -0.0282 0.0507 0.0145 401 LYS A C 2480 O O . LYS A 321 ? 0.1567 0.2274 0.1406 -0.0362 0.0279 0.0318 401 LYS A O 2481 C CB . LYS A 321 ? 0.2246 0.2781 0.1901 -0.0403 0.1089 0.0905 401 LYS A CB 2482 C CG . LYS A 321 ? 0.2965 0.3241 0.3228 -0.0421 0.0937 0.1037 401 LYS A CG 2483 C CD . LYS A 321 ? 0.3661 0.3767 0.4676 -0.0257 0.0599 0.0943 401 LYS A CD 2484 C CE . LYS A 321 ? 0.4138 0.4066 0.5587 -0.0250 0.0599 0.0842 401 LYS A CE 2485 N NZ . LYS A 321 ? 0.4417 0.4367 0.6042 -0.0176 0.0541 0.0774 401 LYS A NZ 2486 N N . ASN A 322 ? 0.1515 0.1196 0.1401 -0.0341 0.0652 0.0057 402 ASN A N 2487 C CA . ASN A 322 ? 0.1357 0.0992 0.1217 -0.0283 0.0208 -0.0196 402 ASN A CA 2488 C C . ASN A 322 ? 0.1481 0.1040 0.1413 -0.0188 0.0010 -0.0112 402 ASN A C 2489 O O . ASN A 322 ? 0.1654 0.1254 0.1442 -0.0144 -0.0141 0.0037 402 ASN A O 2490 C CB . ASN A 322 ? 0.1342 0.1149 0.1529 0.0010 0.0123 -0.0229 402 ASN A CB 2491 C CG . ASN A 322 ? 0.1604 0.1215 0.1990 0.0114 0.0225 -0.0136 402 ASN A CG 2492 O OD1 . ASN A 322 ? 0.1815 0.1609 0.1899 0.0051 0.0100 0.0245 402 ASN A OD1 2493 N ND2 . ASN A 322 ? 0.1785 0.1087 0.2265 0.0114 0.0651 -0.0482 402 ASN A ND2 2494 N N . TRP A 323 ? 0.1500 0.1086 0.1193 -0.0230 0.0156 -0.0083 403 TRP A N 2495 C CA . TRP A 323 ? 0.1379 0.1153 0.0873 -0.0247 -0.0114 -0.0098 403 TRP A CA 2496 C C . TRP A 323 ? 0.1341 0.1227 0.0764 0.0062 0.0020 -0.0031 403 TRP A C 2497 O O . TRP A 323 ? 0.1267 0.1221 0.0937 0.0069 -0.0019 -0.0162 403 TRP A O 2498 C CB . TRP A 323 ? 0.1442 0.1513 0.1035 -0.0196 -0.0113 -0.0186 403 TRP A CB 2499 C CG . TRP A 323 ? 0.1540 0.1780 0.1025 -0.0289 0.0044 -0.0237 403 TRP A CG 2500 C CD1 . TRP A 323 ? 0.1560 0.1760 0.1064 -0.0331 0.0256 0.0112 403 TRP A CD1 2501 C CD2 . TRP A 323 ? 0.1519 0.1791 0.1282 -0.0137 0.0257 -0.0506 403 TRP A CD2 2502 N NE1 . TRP A 323 ? 0.1596 0.1915 0.1318 -0.0160 0.0369 -0.0170 403 TRP A NE1 2503 C CE2 . TRP A 323 ? 0.1571 0.1961 0.1522 -0.0110 0.0523 -0.0388 403 TRP A CE2 2504 C CE3 . TRP A 323 ? 0.1655 0.1969 0.1705 -0.0177 0.0447 -0.0597 403 TRP A CE3 2505 C CZ2 . TRP A 323 ? 0.1594 0.2079 0.1977 -0.0112 0.0596 -0.0397 403 TRP A CZ2 2506 C CZ3 . TRP A 323 ? 0.1824 0.2052 0.2014 -0.0270 0.0501 -0.0630 403 TRP A CZ3 2507 C CH2 . TRP A 323 ? 0.1731 0.2078 0.1957 -0.0195 0.0434 -0.0325 403 TRP A CH2 2508 N N . SER A 324 ? 0.1255 0.1151 0.0508 0.0075 -0.0069 0.0223 404 SER A N 2509 C CA . SER A 324 ? 0.1181 0.1141 0.0676 0.0035 0.0050 0.0081 404 SER A CA 2510 C C . SER A 324 ? 0.1318 0.1169 0.0771 0.0104 0.0126 -0.0015 404 SER A C 2511 O O . SER A 324 ? 0.1384 0.1369 0.0936 0.0172 0.0067 -0.0005 404 SER A O 2512 C CB . SER A 324 ? 0.0898 0.1197 0.1194 0.0260 0.0186 -0.0077 404 SER A CB 2513 O OG . SER A 324 ? 0.1079 0.1211 0.1179 0.0302 0.0295 -0.0112 404 SER A OG 2514 N N . GLY A 325 ? 0.1265 0.0878 0.0787 0.0106 0.0124 0.0188 405 GLY A N 2515 C CA . GLY A 325 ? 0.1190 0.0873 0.0858 0.0126 -0.0062 0.0142 405 GLY A CA 2516 C C . GLY A 325 ? 0.1158 0.0905 0.0925 0.0100 0.0333 0.0005 405 GLY A C 2517 O O . GLY A 325 ? 0.1123 0.0973 0.1317 0.0207 0.0161 -0.0079 405 GLY A O 2518 N N . TYR A 326 ? 0.1070 0.0837 0.0949 0.0116 0.0148 -0.0025 406 TYR A N 2519 C CA . TYR A 326 ? 0.0874 0.1002 0.0890 -0.0136 0.0177 -0.0016 406 TYR A CA 2520 C C . TYR A 326 ? 0.0899 0.1314 0.0903 -0.0109 -0.0072 0.0073 406 TYR A C 2521 O O . TYR A 326 ? 0.0951 0.1279 0.1056 -0.0187 -0.0039 0.0439 406 TYR A O 2522 C CB . TYR A 326 ? 0.0801 0.0943 0.1122 -0.0258 0.0170 0.0129 406 TYR A CB 2523 C CG . TYR A 326 ? 0.0905 0.0976 0.1226 -0.0108 -0.0032 0.0155 406 TYR A CG 2524 C CD1 . TYR A 326 ? 0.1157 0.1062 0.1311 -0.0145 -0.0347 0.0050 406 TYR A CD1 2525 C CD2 . TYR A 326 ? 0.0877 0.1030 0.1035 -0.0272 -0.0093 -0.0067 406 TYR A CD2 2526 C CE1 . TYR A 326 ? 0.1198 0.1275 0.1508 -0.0071 -0.0452 -0.0251 406 TYR A CE1 2527 C CE2 . TYR A 326 ? 0.0915 0.0996 0.1279 -0.0086 -0.0007 -0.0303 406 TYR A CE2 2528 C CZ . TYR A 326 ? 0.1132 0.1231 0.1411 -0.0050 -0.0167 -0.0150 406 TYR A CZ 2529 O OH . TYR A 326 ? 0.1028 0.1467 0.1599 0.0274 0.0113 -0.0115 406 TYR A OH 2530 N N . SER A 327 ? 0.0684 0.1348 0.0612 -0.0014 -0.0204 -0.0194 407 SER A N 2531 C CA . SER A 327 ? 0.0633 0.1239 0.0701 -0.0066 0.0004 -0.0090 407 SER A CA 2532 C C . SER A 327 ? 0.0941 0.1174 0.0674 0.0097 0.0148 -0.0080 407 SER A C 2533 O O . SER A 327 ? 0.1087 0.0905 0.1080 0.0224 0.0051 -0.0119 407 SER A O 2534 C CB . SER A 327 ? 0.0397 0.1231 0.1228 -0.0154 0.0128 -0.0328 407 SER A CB 2535 O OG . SER A 327 ? 0.0470 0.1147 0.1792 -0.0054 0.0161 -0.0311 407 SER A OG 2536 N N . GLY A 328 ? 0.1051 0.1210 0.0496 -0.0065 -0.0077 -0.0242 408 GLY A N 2537 C CA . GLY A 328 ? 0.1010 0.1229 0.0657 0.0037 -0.0066 -0.0217 408 GLY A CA 2538 C C . GLY A 328 ? 0.0999 0.1169 0.0594 0.0197 0.0074 -0.0243 408 GLY A C 2539 O O . GLY A 328 ? 0.1225 0.1200 0.1064 0.0170 0.0006 -0.0125 408 GLY A O 2540 N N . ALA A 329 ? 0.1253 0.1380 0.0681 0.0233 -0.0080 -0.0291 409 ALA A N 2541 C CA . ALA A 329 ? 0.1052 0.1444 0.0640 0.0435 -0.0003 -0.0392 409 ALA A CA 2542 C C . ALA A 329 ? 0.1003 0.1377 0.1044 0.0320 0.0159 -0.0268 409 ALA A C 2543 O O . ALA A 329 ? 0.1126 0.1233 0.1142 0.0087 0.0137 -0.0200 409 ALA A O 2544 C CB . ALA A 329 ? 0.1294 0.1736 0.1461 0.0641 -0.0305 -0.0167 409 ALA A CB 2545 N N . PHE A 330 ? 0.0900 0.1260 0.0949 0.0386 0.0123 -0.0212 410 PHE A N 2546 C CA . PHE A 330 ? 0.0948 0.1161 0.1153 0.0241 -0.0055 -0.0178 410 PHE A CA 2547 C C . PHE A 330 ? 0.1110 0.1089 0.1029 0.0044 -0.0046 -0.0180 410 PHE A C 2548 O O . PHE A 330 ? 0.1157 0.1317 0.1103 0.0061 -0.0035 -0.0077 410 PHE A O 2549 C CB . PHE A 330 ? 0.0898 0.0961 0.1144 0.0216 0.0060 0.0007 410 PHE A CB 2550 C CG . PHE A 330 ? 0.0885 0.1192 0.1114 0.0126 0.0252 0.0033 410 PHE A CG 2551 C CD1 . PHE A 330 ? 0.1020 0.1195 0.0808 0.0072 -0.0042 0.0234 410 PHE A CD1 2552 C CD2 . PHE A 330 ? 0.1047 0.1165 0.1389 -0.0180 0.0254 -0.0109 410 PHE A CD2 2553 C CE1 . PHE A 330 ? 0.1125 0.1227 0.0881 0.0016 -0.0209 -0.0156 410 PHE A CE1 2554 C CE2 . PHE A 330 ? 0.0973 0.1276 0.1165 -0.0030 0.0155 0.0000 410 PHE A CE2 2555 C CZ . PHE A 330 ? 0.1023 0.1291 0.0947 0.0121 -0.0025 -0.0075 410 PHE A CZ 2556 N N . THR A 331 ? 0.1184 0.1116 0.0872 -0.0032 0.0064 -0.0202 411 THR A N 2557 C CA . THR A 331 ? 0.1414 0.1381 0.0865 0.0111 -0.0076 -0.0142 411 THR A CA 2558 C C . THR A 331 ? 0.1542 0.1511 0.0838 0.0194 -0.0164 -0.0383 411 THR A C 2559 O O . THR A 331 ? 0.1757 0.1817 0.1243 0.0240 -0.0097 -0.0272 411 THR A O 2560 C CB . THR A 331 ? 0.1437 0.1521 0.1349 0.0154 0.0259 -0.0006 411 THR A CB 2561 O OG1 . THR A 331 ? 0.1618 0.1583 0.1490 -0.0041 0.0277 0.0190 411 THR A OG1 2562 C CG2 . THR A 331 ? 0.1310 0.1545 0.1577 0.0535 0.0423 -0.0223 411 THR A CG2 2563 N N . ILE A 332 ? 0.1637 0.1281 0.1075 0.0281 -0.0065 -0.0795 412 ILE A N 2564 C CA . ILE A 332 ? 0.2161 0.1448 0.1128 0.0387 0.0337 -0.0418 412 ILE A CA 2565 C C . ILE A 332 ? 0.2159 0.1703 0.1177 0.0250 0.0104 -0.0377 412 ILE A C 2566 O O . ILE A 332 ? 0.2248 0.1955 0.1398 0.0405 -0.0140 -0.0061 412 ILE A O 2567 C CB . ILE A 332 ? 0.2753 0.1545 0.1506 0.0637 0.0705 -0.0102 412 ILE A CB 2568 C CG1 . ILE A 332 ? 0.3244 0.1658 0.1729 0.0678 0.0780 0.0495 412 ILE A CG1 2569 C CG2 . ILE A 332 ? 0.2760 0.1416 0.1692 0.0608 0.1161 -0.0349 412 ILE A CG2 2570 C CD1 . ILE A 332 ? 0.3466 0.1835 0.2068 0.0830 0.0887 0.0659 412 ILE A CD1 2571 N N . PRO A 333 ? 0.2127 0.1786 0.1235 0.0169 0.0279 -0.0479 413 PRO A N 2572 C CA . PRO A 333 ? 0.2238 0.1857 0.1258 0.0044 0.0231 -0.0417 413 PRO A CA 2573 C C . PRO A 333 ? 0.2499 0.1936 0.1293 0.0036 -0.0004 -0.0335 413 PRO A C 2574 O O . PRO A 333 ? 0.2577 0.1882 0.1377 0.0075 -0.0074 -0.0501 413 PRO A O 2575 C CB . PRO A 333 ? 0.1984 0.1970 0.1595 -0.0101 0.0264 -0.0477 413 PRO A CB 2576 C CG . PRO A 333 ? 0.2098 0.2191 0.1985 -0.0065 0.0388 -0.0473 413 PRO A CG 2577 C CD . PRO A 333 ? 0.2021 0.2045 0.1780 0.0181 0.0409 -0.0460 413 PRO A CD 2578 N N . ILE A 334 A 0.2780 0.2138 0.0966 0.0069 -0.0279 -0.0194 413 ILE A N 2579 C CA . ILE A 334 A 0.3157 0.2447 0.1686 0.0231 -0.0311 -0.0478 413 ILE A CA 2580 C C . ILE A 334 A 0.3176 0.2403 0.1824 0.0101 -0.0094 -0.0464 413 ILE A C 2581 O O . ILE A 334 A 0.3233 0.2128 0.2120 -0.0174 -0.0062 -0.0373 413 ILE A O 2582 C CB . ILE A 334 A 0.3486 0.2907 0.2726 0.0279 -0.0793 -0.0441 413 ILE A CB 2583 C CG1 . ILE A 334 A 0.3526 0.3245 0.3141 0.0012 -0.0843 -0.0283 413 ILE A CG1 2584 C CG2 . ILE A 334 A 0.3701 0.3285 0.3748 0.0222 -0.0660 -0.0306 413 ILE A CG2 2585 C CD1 . ILE A 334 A 0.3635 0.3365 0.3594 -0.0108 -0.0833 -0.0064 413 ILE A CD1 2586 N N . THR A 335 B 0.3077 0.2548 0.2028 0.0159 0.0316 -0.0481 413 THR A N 2587 C CA . THR A 335 B 0.2985 0.2810 0.2350 0.0234 0.0442 -0.0835 413 THR A CA 2588 C C . THR A 335 B 0.3113 0.2928 0.2845 0.0457 0.0463 -0.0966 413 THR A C 2589 O O . THR A 335 B 0.3247 0.3065 0.3427 0.0520 0.0717 -0.1123 413 THR A O 2590 C CB . THR A 335 B 0.3052 0.2966 0.2616 0.0018 0.0458 -0.0892 413 THR A CB 2591 O OG1 . THR A 335 B 0.2974 0.3064 0.2734 -0.0006 0.0379 -0.1367 413 THR A OG1 2592 C CG2 . THR A 335 B 0.3063 0.3010 0.2640 -0.0014 0.0411 -0.0564 413 THR A CG2 2593 N N . MET A 336 C 0.3223 0.3028 0.2438 0.0524 0.0118 -0.0873 413 MET A N 2594 C CA . MET A 336 C 0.3536 0.3398 0.2725 0.0397 -0.0210 -0.0615 413 MET A CA 2595 C C . MET A 336 C 0.3370 0.3200 0.2761 0.0448 -0.0453 -0.0135 413 MET A C 2596 O O . MET A 336 C 0.3452 0.3329 0.3245 0.0499 -0.0526 0.0235 413 MET A O 2597 C CB . MET A 336 C 0.4019 0.3997 0.3312 0.0249 -0.0272 -0.0712 413 MET A CB 2598 C CG . MET A 336 C 0.4427 0.4587 0.4058 0.0214 -0.0516 -0.0603 413 MET A CG 2599 S SD . MET A 336 C 0.4692 0.5056 0.5171 0.0285 -0.0582 -0.0369 413 MET A SD 2600 C CE . MET A 336 C 0.4625 0.4941 0.5465 0.0334 -0.0578 -0.0231 413 MET A CE 2601 N N . THR A 337 D 0.3261 0.3066 0.2294 0.0324 -0.0482 -0.0116 413 THR A N 2602 C CA . THR A 337 D 0.3212 0.2919 0.2278 0.0280 -0.0570 -0.0162 413 THR A CA 2603 C C . THR A 337 D 0.3476 0.2829 0.3040 0.0298 -0.0435 -0.0386 413 THR A C 2604 O O . THR A 337 D 0.3566 0.2473 0.3531 0.0272 -0.0329 -0.0067 413 THR A O 2605 C CB . THR A 337 D 0.3057 0.2796 0.1922 0.0265 -0.0554 -0.0081 413 THR A CB 2606 O OG1 . THR A 337 D 0.3062 0.2788 0.2079 0.0170 -0.0411 -0.0117 413 THR A OG1 2607 C CG2 . THR A 337 D 0.3084 0.3000 0.2025 0.0231 -0.0519 -0.0150 413 THR A CG2 2608 N N . SER A 338 ? 0.3506 0.3078 0.2902 0.0331 -0.0380 -0.0695 414 SER A N 2609 C CA . SER A 338 ? 0.3670 0.3312 0.3109 0.0546 -0.0381 -0.1081 414 SER A CA 2610 C C . SER A 338 ? 0.3756 0.3168 0.2953 0.0547 -0.0448 -0.1250 414 SER A C 2611 O O . SER A 338 ? 0.3943 0.3174 0.3411 0.0558 -0.0368 -0.1382 414 SER A O 2612 C CB . SER A 338 ? 0.3752 0.3628 0.3575 0.0599 -0.0517 -0.1105 414 SER A CB 2613 O OG . SER A 338 ? 0.3890 0.3811 0.3874 0.0630 -0.0427 -0.1165 414 SER A OG 2614 N N . LYS A 339 ? 0.3596 0.2946 0.2678 0.0562 -0.0362 -0.1097 415 LYS A N 2615 C CA . LYS A 339 ? 0.3501 0.2773 0.2429 0.0461 -0.0389 -0.0972 415 LYS A CA 2616 C C . LYS A 339 ? 0.3397 0.2617 0.2435 0.0482 -0.0377 -0.0873 415 LYS A C 2617 O O . LYS A 339 ? 0.3370 0.2630 0.3050 0.0559 -0.0136 -0.0530 415 LYS A O 2618 C CB . LYS A 339 ? 0.3507 0.3000 0.2464 0.0329 -0.0474 -0.0877 415 LYS A CB 2619 C CG . LYS A 339 ? 0.3668 0.3373 0.3053 0.0219 -0.0399 -0.0774 415 LYS A CG 2620 C CD . LYS A 339 ? 0.3838 0.3716 0.3712 0.0184 -0.0390 -0.0793 415 LYS A CD 2621 C CE . LYS A 339 ? 0.4156 0.4071 0.4319 0.0224 -0.0145 -0.0571 415 LYS A CE 2622 N NZ . LYS A 339 ? 0.4413 0.4265 0.4732 0.0145 -0.0252 -0.0419 415 LYS A NZ 2623 N N . GLN A 340 ? 0.3319 0.2485 0.2244 0.0406 -0.0751 -0.0889 416 GLN A N 2624 C CA . GLN A 340 ? 0.3505 0.2518 0.2178 0.0417 -0.0587 -0.0801 416 GLN A CA 2625 C C . GLN A 340 ? 0.3221 0.2179 0.1556 0.0351 -0.0466 -0.0336 416 GLN A C 2626 O O . GLN A 340 ? 0.3492 0.2247 0.1678 0.0250 -0.0512 -0.0292 416 GLN A O 2627 C CB . GLN A 340 ? 0.4070 0.3048 0.3307 0.0551 -0.0492 -0.0753 416 GLN A CB 2628 C CG . GLN A 340 ? 0.4676 0.3735 0.4817 0.0565 -0.0066 -0.0337 416 GLN A CG 2629 C CD . GLN A 340 ? 0.5110 0.4215 0.6051 0.0524 0.0014 0.0016 416 GLN A CD 2630 O OE1 . GLN A 340 ? 0.5343 0.4382 0.6825 0.0381 0.0084 0.0186 416 GLN A OE1 2631 N NE2 . GLN A 340 ? 0.5295 0.4477 0.6305 0.0500 -0.0070 -0.0056 416 GLN A NE2 2632 N N . CYS A 341 ? 0.2809 0.1919 0.1299 0.0056 -0.0426 -0.0108 417 CYS A N 2633 C CA . CYS A 341 ? 0.2570 0.1751 0.1226 -0.0020 -0.0412 -0.0134 417 CYS A CA 2634 C C . CYS A 341 ? 0.2430 0.1635 0.1058 0.0122 -0.0393 -0.0259 417 CYS A C 2635 O O . CYS A 341 ? 0.2729 0.1836 0.1271 -0.0053 -0.0371 -0.0431 417 CYS A O 2636 C CB . CYS A 341 ? 0.2753 0.1918 0.2176 -0.0012 -0.0470 -0.0180 417 CYS A CB 2637 S SG . CYS A 341 ? 0.3016 0.2182 0.2901 0.0024 -0.0453 -0.0528 417 CYS A SG 2638 N N . LEU A 342 ? 0.2120 0.1439 0.0851 0.0164 -0.0470 -0.0172 418 LEU A N 2639 C CA . LEU A 342 ? 0.1866 0.1360 0.1020 0.0283 -0.0211 -0.0213 418 LEU A CA 2640 C C . LEU A 342 ? 0.1843 0.1451 0.1147 0.0173 -0.0257 -0.0121 418 LEU A C 2641 O O . LEU A 342 ? 0.1779 0.1878 0.1538 0.0102 -0.0064 0.0133 418 LEU A O 2642 C CB . LEU A 342 ? 0.1936 0.1364 0.1424 0.0210 -0.0026 -0.0153 418 LEU A CB 2643 C CG . LEU A 342 ? 0.2093 0.1370 0.1832 0.0139 0.0135 -0.0064 418 LEU A CG 2644 C CD1 . LEU A 342 ? 0.2213 0.1185 0.1826 -0.0079 -0.0111 0.0014 418 LEU A CD1 2645 C CD2 . LEU A 342 ? 0.2120 0.1781 0.2190 -0.0026 0.0246 0.0054 418 LEU A CD2 2646 N N . VAL A 343 ? 0.1951 0.1219 0.0998 -0.0091 -0.0386 -0.0330 419 VAL A N 2647 C CA . VAL A 343 ? 0.2089 0.1235 0.0959 0.0017 -0.0278 -0.0346 419 VAL A CA 2648 C C . VAL A 343 ? 0.1652 0.1160 0.0871 0.0050 -0.0366 -0.0274 419 VAL A C 2649 O O . VAL A 343 ? 0.1869 0.1011 0.0991 -0.0107 -0.0228 -0.0055 419 VAL A O 2650 C CB . VAL A 343 ? 0.2349 0.1279 0.0817 -0.0115 -0.0178 -0.0366 419 VAL A CB 2651 C CG1 . VAL A 343 ? 0.2397 0.1215 0.0878 -0.0283 -0.0161 -0.0159 419 VAL A CG1 2652 C CG2 . VAL A 343 ? 0.2598 0.1438 0.1180 -0.0293 -0.0115 -0.0586 419 VAL A CG2 2653 N N . PRO A 344 ? 0.1241 0.1425 0.0905 -0.0066 -0.0373 -0.0324 420 PRO A N 2654 C CA . PRO A 344 ? 0.1139 0.1428 0.1073 0.0021 -0.0397 -0.0102 420 PRO A CA 2655 C C . PRO A 344 ? 0.1237 0.1389 0.0920 -0.0076 -0.0378 0.0237 420 PRO A C 2656 O O . PRO A 344 ? 0.1472 0.1477 0.1368 -0.0096 -0.0471 0.0110 420 PRO A O 2657 C CB . PRO A 344 ? 0.0990 0.1419 0.1271 -0.0008 -0.0345 -0.0081 420 PRO A CB 2658 C CG . PRO A 344 ? 0.1113 0.1453 0.1457 0.0126 -0.0275 -0.0314 420 PRO A CG 2659 C CD . PRO A 344 ? 0.1211 0.1627 0.1396 0.0152 -0.0112 -0.0503 420 PRO A CD 2660 N N . CYS A 345 ? 0.1063 0.1322 0.0736 0.0002 -0.0430 0.0091 421 CYS A N 2661 C CA . CYS A 345 ? 0.1196 0.1225 0.0703 0.0148 -0.0299 -0.0145 421 CYS A CA 2662 C C . CYS A 345 ? 0.1369 0.1245 0.0524 0.0180 -0.0031 -0.0073 421 CYS A C 2663 O O . CYS A 345 ? 0.1448 0.1359 0.0928 0.0168 -0.0199 -0.0154 421 CYS A O 2664 C CB . CYS A 345 ? 0.1431 0.1253 0.1233 0.0110 -0.0107 -0.0345 421 CYS A CB 2665 S SG . CYS A 345 ? 0.1654 0.1425 0.1354 0.0030 0.0016 -0.0206 421 CYS A SG 2666 N N . PHE A 346 ? 0.1413 0.1142 0.0377 0.0146 -0.0122 -0.0152 422 PHE A N 2667 C CA . PHE A 346 ? 0.1177 0.1134 0.0780 0.0176 0.0070 -0.0141 422 PHE A CA 2668 C C . PHE A 346 ? 0.1346 0.1075 0.0747 0.0048 -0.0217 -0.0035 422 PHE A C 2669 O O . PHE A 346 ? 0.1513 0.1233 0.0917 0.0212 -0.0122 -0.0283 422 PHE A O 2670 C CB . PHE A 346 ? 0.0891 0.1134 0.1085 0.0187 0.0364 0.0138 422 PHE A CB 2671 C CG . PHE A 346 ? 0.0952 0.1123 0.1022 0.0154 0.0049 0.0070 422 PHE A CG 2672 C CD1 . PHE A 346 ? 0.0991 0.1082 0.1577 0.0248 0.0142 0.0313 422 PHE A CD1 2673 C CD2 . PHE A 346 ? 0.1008 0.1105 0.0857 0.0177 0.0255 0.0059 422 PHE A CD2 2674 C CE1 . PHE A 346 ? 0.1230 0.1247 0.1398 0.0326 0.0134 -0.0050 422 PHE A CE1 2675 C CE2 . PHE A 346 ? 0.1163 0.1058 0.1167 0.0096 0.0094 -0.0077 422 PHE A CE2 2676 C CZ . PHE A 346 ? 0.1297 0.1209 0.1278 0.0164 0.0081 -0.0113 422 PHE A CZ 2677 N N . TRP A 347 ? 0.1284 0.1074 0.0780 0.0142 -0.0440 -0.0080 423 TRP A N 2678 C CA . TRP A 347 ? 0.1165 0.1175 0.0825 0.0075 -0.0269 -0.0034 423 TRP A CA 2679 C C . TRP A 347 ? 0.0931 0.1080 0.0917 0.0201 -0.0077 -0.0085 423 TRP A C 2680 O O . TRP A 347 ? 0.0906 0.1224 0.0873 0.0029 0.0063 -0.0277 423 TRP A O 2681 C CB . TRP A 347 ? 0.0910 0.1098 0.0988 0.0084 -0.0101 0.0288 423 TRP A CB 2682 C CG . TRP A 347 ? 0.0925 0.1194 0.0965 -0.0163 0.0196 0.0052 423 TRP A CG 2683 C CD1 . TRP A 347 ? 0.0852 0.1181 0.0778 -0.0161 0.0025 0.0259 423 TRP A CD1 2684 C CD2 . TRP A 347 ? 0.0882 0.1051 0.0609 -0.0068 0.0069 -0.0110 423 TRP A CD2 2685 N NE1 . TRP A 347 ? 0.0925 0.0996 0.0979 -0.0212 0.0072 0.0063 423 TRP A NE1 2686 C CE2 . TRP A 347 ? 0.0968 0.1223 0.0591 -0.0228 0.0056 -0.0057 423 TRP A CE2 2687 C CE3 . TRP A 347 ? 0.0914 0.1179 0.0609 -0.0094 0.0140 -0.0101 423 TRP A CE3 2688 C CZ2 . TRP A 347 ? 0.0877 0.1317 0.0757 -0.0076 0.0046 -0.0166 423 TRP A CZ2 2689 C CZ3 . TRP A 347 ? 0.0879 0.1264 0.0996 -0.0155 0.0028 0.0048 423 TRP A CZ3 2690 C CH2 . TRP A 347 ? 0.0869 0.1393 0.1034 -0.0133 0.0003 0.0253 423 TRP A CH2 2691 N N . LEU A 348 ? 0.1075 0.1026 0.0734 0.0222 -0.0143 -0.0023 424 LEU A N 2692 C CA . LEU A 348 ? 0.0963 0.1006 0.0659 0.0042 0.0182 -0.0063 424 LEU A CA 2693 C C . LEU A 348 ? 0.1066 0.0976 0.0889 0.0070 0.0012 -0.0049 424 LEU A C 2694 O O . LEU A 348 ? 0.1073 0.0922 0.1299 0.0107 0.0133 -0.0397 424 LEU A O 2695 C CB . LEU A 348 ? 0.1135 0.0800 0.0538 -0.0161 0.0240 0.0043 424 LEU A CB 2696 C CG . LEU A 348 ? 0.1278 0.0902 0.0802 0.0095 0.0267 0.0025 424 LEU A CG 2697 C CD1 . LEU A 348 ? 0.1474 0.1051 0.0979 0.0345 0.0123 -0.0151 424 LEU A CD1 2698 C CD2 . LEU A 348 ? 0.1457 0.0961 0.0936 -0.0126 0.0000 0.0234 424 LEU A CD2 2699 N N . GLU A 349 ? 0.1135 0.0962 0.0733 -0.0091 -0.0108 -0.0102 425 GLU A N 2700 C CA . GLU A 349 ? 0.1169 0.0945 0.0876 -0.0074 0.0190 0.0029 425 GLU A CA 2701 C C . GLU A 349 ? 0.1265 0.1054 0.0965 0.0043 0.0068 0.0111 425 GLU A C 2702 O O . GLU A 349 ? 0.1251 0.1198 0.1052 0.0135 0.0111 0.0145 425 GLU A O 2703 C CB . GLU A 349 ? 0.1139 0.0944 0.1252 -0.0246 0.0071 -0.0122 425 GLU A CB 2704 C CG . GLU A 349 ? 0.1041 0.0915 0.1039 -0.0246 -0.0094 -0.0209 425 GLU A CG 2705 C CD . GLU A 349 ? 0.0797 0.1047 0.1033 -0.0189 -0.0059 -0.0216 425 GLU A CD 2706 O OE1 . GLU A 349 ? 0.0981 0.1197 0.0921 0.0052 -0.0154 0.0009 425 GLU A OE1 2707 O OE2 . GLU A 349 ? 0.0588 0.1009 0.1424 -0.0342 0.0121 -0.0196 425 GLU A OE2 2708 N N . MET A 350 ? 0.1229 0.1045 0.0335 0.0026 0.0150 -0.0121 426 MET A N 2709 C CA . MET A 350 ? 0.1154 0.0888 0.0394 0.0013 0.0080 -0.0301 426 MET A CA 2710 C C . MET A 350 ? 0.1063 0.0973 0.0656 0.0124 -0.0040 -0.0227 426 MET A C 2711 O O . MET A 350 ? 0.1157 0.1151 0.1057 -0.0076 0.0201 0.0005 426 MET A O 2712 C CB . MET A 350 ? 0.1155 0.0989 0.1159 -0.0104 -0.0090 -0.0343 426 MET A CB 2713 C CG . MET A 350 ? 0.1233 0.0972 0.1254 -0.0302 -0.0096 -0.0254 426 MET A CG 2714 S SD . MET A 350 ? 0.1235 0.1368 0.1515 -0.0201 0.0153 -0.0139 426 MET A SD 2715 C CE . MET A 350 ? 0.1186 0.1643 0.1026 -0.0182 0.0152 -0.0443 426 MET A CE 2716 N N . ILE A 351 ? 0.1171 0.0979 0.0480 0.0015 -0.0081 -0.0295 427 ILE A N 2717 C CA . ILE A 351 ? 0.1035 0.1027 0.0644 0.0115 -0.0092 -0.0166 427 ILE A CA 2718 C C . ILE A 351 ? 0.0999 0.1149 0.0612 0.0124 0.0178 0.0041 427 ILE A C 2719 O O . ILE A 351 ? 0.0989 0.1416 0.0971 0.0007 0.0338 0.0297 427 ILE A O 2720 C CB . ILE A 351 ? 0.1042 0.0829 0.0733 0.0132 -0.0373 -0.0339 427 ILE A CB 2721 C CG1 . ILE A 351 ? 0.1038 0.0877 0.1111 0.0404 -0.0291 -0.0222 427 ILE A CG1 2722 C CG2 . ILE A 351 ? 0.1203 0.0957 0.1069 0.0061 -0.0327 -0.0336 427 ILE A CG2 2723 C CD1 . ILE A 351 ? 0.1003 0.1040 0.1220 0.0529 -0.0192 -0.0323 427 ILE A CD1 2724 N N . ARG A 352 ? 0.1121 0.1053 0.0596 0.0167 0.0069 0.0083 428 ARG A N 2725 C CA . ARG A 352 ? 0.1152 0.0948 0.0919 0.0071 -0.0039 -0.0277 428 ARG A CA 2726 C C . ARG A 352 ? 0.1153 0.0932 0.1120 0.0032 0.0137 -0.0245 428 ARG A C 2727 O O . ARG A 352 ? 0.1105 0.0977 0.1281 -0.0142 0.0018 -0.0051 428 ARG A O 2728 C CB . ARG A 352 ? 0.1161 0.0882 0.1026 -0.0007 -0.0122 -0.0365 428 ARG A CB 2729 C CG . ARG A 352 ? 0.1136 0.0938 0.0724 -0.0227 -0.0072 -0.0118 428 ARG A CG 2730 C CD . ARG A 352 ? 0.1167 0.1237 0.1065 0.0082 -0.0115 -0.0051 428 ARG A CD 2731 N NE . ARG A 352 ? 0.1200 0.1317 0.1132 0.0055 -0.0080 0.0092 428 ARG A NE 2732 C CZ . ARG A 352 ? 0.1259 0.1444 0.0962 0.0093 -0.0131 -0.0098 428 ARG A CZ 2733 N NH1 . ARG A 352 ? 0.1152 0.1390 0.1152 0.0335 0.0134 -0.0193 428 ARG A NH1 2734 N NH2 . ARG A 352 ? 0.1194 0.1682 0.1049 -0.0161 0.0113 0.0081 428 ARG A NH2 2735 N N . GLY A 353 ? 0.1207 0.0877 0.1073 0.0048 0.0289 -0.0295 429 GLY A N 2736 C CA . GLY A 353 ? 0.1135 0.0991 0.1169 -0.0041 -0.0104 -0.0537 429 GLY A CA 2737 C C . GLY A 353 ? 0.1369 0.1101 0.1079 -0.0090 0.0006 -0.0361 429 GLY A C 2738 O O . GLY A 353 ? 0.1320 0.1195 0.1007 -0.0017 0.0118 -0.0182 429 GLY A O 2739 N N . LYS A 354 ? 0.1486 0.1159 0.0965 -0.0187 0.0079 -0.0172 430 LYS A N 2740 C CA . LYS A 354 ? 0.1639 0.1292 0.1146 -0.0063 -0.0085 -0.0493 430 LYS A CA 2741 C C . LYS A 354 ? 0.1696 0.1227 0.1387 0.0127 0.0269 -0.0115 430 LYS A C 2742 O O . LYS A 354 ? 0.1677 0.1177 0.1644 0.0043 0.0453 -0.0194 430 LYS A O 2743 C CB . LYS A 354 ? 0.1874 0.1602 0.1191 -0.0131 -0.0613 -0.0562 430 LYS A CB 2744 C CG . LYS A 354 ? 0.2166 0.1820 0.1486 -0.0120 -0.0814 -0.0506 430 LYS A CG 2745 C CD . LYS A 354 ? 0.2453 0.2093 0.1727 -0.0135 -0.0707 -0.0500 430 LYS A CD 2746 C CE . LYS A 354 ? 0.2713 0.2247 0.1876 -0.0196 -0.0498 -0.0143 430 LYS A CE 2747 N NZ . LYS A 354 ? 0.2773 0.2128 0.1852 -0.0201 -0.0030 -0.0155 430 LYS A NZ 2748 N N . PRO A 355 ? 0.1739 0.1336 0.1406 0.0135 0.0271 -0.0136 431 PRO A N 2749 C CA . PRO A 355 ? 0.1874 0.1543 0.1479 0.0123 0.0085 -0.0292 431 PRO A CA 2750 C C . PRO A 355 ? 0.1964 0.1718 0.1172 0.0105 0.0331 -0.0216 431 PRO A C 2751 O O . PRO A 355 ? 0.2331 0.1980 0.1185 0.0174 0.0483 -0.0549 431 PRO A O 2752 C CB . PRO A 355 ? 0.1908 0.1580 0.1437 0.0208 -0.0102 -0.0142 431 PRO A CB 2753 C CG . PRO A 355 ? 0.2007 0.1532 0.1956 0.0334 0.0155 -0.0070 431 PRO A CG 2754 C CD . PRO A 355 ? 0.1910 0.1375 0.1738 0.0266 0.0253 -0.0191 431 PRO A CD 2755 N N . GLU A 356 ? 0.1794 0.1530 0.1179 0.0303 0.0311 0.0039 432 GLU A N 2756 C CA . GLU A 356 ? 0.1899 0.1879 0.1353 0.0244 0.0302 -0.0166 432 GLU A CA 2757 C C . GLU A 356 ? 0.1775 0.1964 0.1434 0.0375 0.0504 0.0204 432 GLU A C 2758 O O . GLU A 356 ? 0.1917 0.2332 0.1702 0.0495 0.0732 0.0583 432 GLU A O 2759 C CB . GLU A 356 ? 0.1966 0.2124 0.1542 0.0242 0.0187 -0.0499 432 GLU A CB 2760 C CG . GLU A 356 ? 0.2067 0.2433 0.1718 0.0439 0.0270 -0.0219 432 GLU A CG 2761 C CD . GLU A 356 ? 0.2391 0.2813 0.2075 0.0757 0.0180 -0.0280 432 GLU A CD 2762 O OE1 . GLU A 356 ? 0.2429 0.3003 0.2038 0.0914 0.0163 -0.0434 432 GLU A OE1 2763 O OE2 . GLU A 356 ? 0.2557 0.3016 0.2613 0.0657 0.0155 -0.0463 432 GLU A OE2 2764 N N . GLU A 357 ? 0.1761 0.1677 0.1315 0.0397 -0.0095 0.0063 433 GLU A N 2765 C CA . GLU A 357 ? 0.1580 0.1649 0.1054 0.0247 -0.0080 -0.0431 433 GLU A CA 2766 C C . GLU A 357 ? 0.1801 0.1906 0.1348 0.0373 -0.0051 -0.0470 433 GLU A C 2767 O O . GLU A 357 ? 0.1711 0.2140 0.1605 0.0433 0.0184 -0.0119 433 GLU A O 2768 C CB . GLU A 357 ? 0.1587 0.1534 0.1414 0.0030 0.0102 -0.0334 433 GLU A CB 2769 C CG . GLU A 357 ? 0.1812 0.1631 0.1557 -0.0128 0.0290 -0.0417 433 GLU A CG 2770 C CD . GLU A 357 ? 0.1945 0.1649 0.1658 -0.0125 0.0568 -0.0096 433 GLU A CD 2771 O OE1 . GLU A 357 ? 0.1822 0.1564 0.1431 -0.0124 0.0574 0.0026 433 GLU A OE1 2772 O OE2 . GLU A 357 ? 0.2188 0.1802 0.1836 -0.0020 0.0875 0.0198 433 GLU A OE2 2773 N N . ARG A 358 ? 0.2200 0.2158 0.1353 0.0144 0.0023 -0.0643 434 ARG A N 2774 C CA . ARG A 358 ? 0.2580 0.2442 0.2104 0.0097 0.0149 -0.0884 434 ARG A CA 2775 C C . ARG A 358 ? 0.2415 0.2344 0.1659 -0.0014 0.0207 -0.0746 434 ARG A C 2776 O O . ARG A 358 ? 0.2440 0.2314 0.2458 -0.0203 0.0154 -0.0747 434 ARG A O 2777 C CB . ARG A 358 ? 0.3250 0.3051 0.3413 0.0225 0.0323 -0.0846 434 ARG A CB 2778 C CG . ARG A 358 ? 0.3866 0.3906 0.4608 0.0284 0.0536 -0.0602 434 ARG A CG 2779 C CD . ARG A 358 ? 0.4365 0.4494 0.5643 0.0155 0.0576 -0.0535 434 ARG A CD 2780 N NE . ARG A 358 ? 0.4846 0.4966 0.6508 0.0078 0.0612 -0.0465 434 ARG A NE 2781 C CZ . ARG A 358 ? 0.5204 0.5298 0.7015 0.0029 0.0577 -0.0481 434 ARG A CZ 2782 N NH1 . ARG A 358 ? 0.5380 0.5402 0.7271 0.0075 0.0438 -0.0493 434 ARG A NH1 2783 N NH2 . ARG A 358 ? 0.5255 0.5396 0.7172 -0.0061 0.0581 -0.0384 434 ARG A NH2 2784 N N . THR A 359 ? 0.2279 0.2248 0.0883 0.0081 0.0385 -0.0178 435 THR A N 2785 C CA . THR A 359 ? 0.2292 0.2530 0.1247 -0.0045 0.0415 -0.0216 435 THR A CA 2786 C C . THR A 359 ? 0.2134 0.2592 0.1288 0.0004 0.0233 -0.0156 435 THR A C 2787 O O . THR A 359 ? 0.2047 0.3090 0.1664 0.0130 0.0243 -0.0041 435 THR A O 2788 C CB . THR A 359 ? 0.2577 0.2655 0.1430 -0.0091 0.0586 -0.0028 435 THR A CB 2789 O OG1 . THR A 359 ? 0.2632 0.2643 0.1976 -0.0176 0.0693 -0.0117 435 THR A OG1 2790 C CG2 . THR A 359 ? 0.2674 0.2803 0.1549 -0.0142 0.0551 0.0111 435 THR A CG2 2791 N N . SER A 360 ? 0.1925 0.2188 0.0983 -0.0130 0.0125 -0.0273 436 SER A N 2792 C CA . SER A 360 ? 0.1818 0.1831 0.1122 -0.0121 -0.0035 -0.0121 436 SER A CA 2793 C C . SER A 360 ? 0.1601 0.1678 0.1061 -0.0020 -0.0024 0.0037 436 SER A C 2794 O O . SER A 360 ? 0.1583 0.1854 0.1802 0.0018 -0.0070 0.0133 436 SER A O 2795 C CB . SER A 360 ? 0.1920 0.1668 0.1564 -0.0229 -0.0124 -0.0285 436 SER A CB 2796 O OG . SER A 360 ? 0.1884 0.1750 0.1635 -0.0320 0.0000 -0.0143 436 SER A OG 2797 N N . ILE A 361 ? 0.1428 0.1424 0.1182 -0.0244 0.0055 0.0154 437 ILE A N 2798 C CA . ILE A 361 ? 0.1551 0.1379 0.1027 -0.0260 -0.0001 0.0040 437 ILE A CA 2799 C C . ILE A 361 ? 0.1460 0.1421 0.1022 -0.0115 0.0045 -0.0077 437 ILE A C 2800 O O . ILE A 361 ? 0.1722 0.1546 0.0963 -0.0122 0.0062 -0.0170 437 ILE A O 2801 C CB . ILE A 361 ? 0.2001 0.1627 0.1070 -0.0239 -0.0211 -0.0149 437 ILE A CB 2802 C CG1 . ILE A 361 ? 0.1745 0.1652 0.1394 -0.0425 -0.0616 -0.0089 437 ILE A CG1 2803 C CG2 . ILE A 361 ? 0.2460 0.1642 0.1176 -0.0228 -0.0225 0.0085 437 ILE A CG2 2804 C CD1 . ILE A 361 ? 0.1862 0.1842 0.1418 -0.0491 -0.0800 -0.0114 437 ILE A CD1 2805 N N . TRP A 362 ? 0.1230 0.1475 0.0613 0.0154 -0.0063 -0.0190 438 TRP A N 2806 C CA . TRP A 362 ? 0.1129 0.1243 0.0998 0.0153 -0.0035 -0.0110 438 TRP A CA 2807 C C . TRP A 362 ? 0.1217 0.1263 0.0803 0.0108 0.0019 0.0004 438 TRP A C 2808 O O . TRP A 362 ? 0.1299 0.1471 0.0707 0.0106 0.0269 0.0006 438 TRP A O 2809 C CB . TRP A 362 ? 0.1065 0.1122 0.1084 0.0258 -0.0061 0.0001 438 TRP A CB 2810 C CG . TRP A 362 ? 0.1074 0.1181 0.0842 0.0132 0.0038 -0.0125 438 TRP A CG 2811 C CD1 . TRP A 362 ? 0.1181 0.1246 0.1174 0.0010 -0.0024 -0.0112 438 TRP A CD1 2812 C CD2 . TRP A 362 ? 0.1240 0.1148 0.0635 0.0161 -0.0071 -0.0263 438 TRP A CD2 2813 N NE1 . TRP A 362 ? 0.1288 0.1228 0.1129 0.0070 -0.0135 -0.0190 438 TRP A NE1 2814 C CE2 . TRP A 362 ? 0.1346 0.1167 0.0958 0.0182 -0.0204 -0.0294 438 TRP A CE2 2815 C CE3 . TRP A 362 ? 0.1445 0.1147 0.0681 0.0083 -0.0027 -0.0360 438 TRP A CE3 2816 C CZ2 . TRP A 362 ? 0.1471 0.1078 0.1072 0.0077 -0.0225 -0.0184 438 TRP A CZ2 2817 C CZ3 . TRP A 362 ? 0.1499 0.1143 0.0862 0.0042 0.0004 -0.0067 438 TRP A CZ3 2818 C CH2 . TRP A 362 ? 0.1492 0.1065 0.0943 -0.0002 -0.0066 -0.0048 438 TRP A CH2 2819 N N . THR A 363 ? 0.1212 0.1151 0.0613 0.0037 -0.0294 -0.0011 439 THR A N 2820 C CA . THR A 363 ? 0.1246 0.1138 0.0641 0.0134 -0.0169 -0.0166 439 THR A CA 2821 C C . THR A 363 ? 0.1138 0.1043 0.0739 0.0109 0.0099 -0.0186 439 THR A C 2822 O O . THR A 363 ? 0.0756 0.1314 0.0515 0.0219 0.0152 -0.0160 439 THR A O 2823 C CB . THR A 363 ? 0.1343 0.1319 0.0542 0.0176 -0.0241 -0.0247 439 THR A CB 2824 O OG1 . THR A 363 ? 0.1486 0.1307 0.0696 0.0219 0.0035 -0.0571 439 THR A OG1 2825 C CG2 . THR A 363 ? 0.1420 0.1534 0.0773 0.0121 -0.0379 0.0040 439 THR A CG2 2826 N N . SER A 364 ? 0.1368 0.0983 0.0657 0.0241 0.0105 -0.0410 440 SER A N 2827 C CA . SER A 364 ? 0.1048 0.0901 0.0787 0.0291 0.0129 -0.0410 440 SER A CA 2828 C C . SER A 364 ? 0.1061 0.1028 0.0748 0.0140 0.0164 -0.0323 440 SER A C 2829 O O . SER A 364 ? 0.1102 0.1546 0.0656 -0.0022 0.0362 -0.0116 440 SER A O 2830 C CB . SER A 364 ? 0.0985 0.1094 0.1074 0.0278 0.0213 -0.0390 440 SER A CB 2831 O OG . SER A 364 ? 0.0788 0.0985 0.1064 0.0148 0.0295 -0.0085 440 SER A OG 2832 N N . SER A 365 ? 0.0992 0.0921 0.0651 -0.0039 -0.0094 -0.0116 441 SER A N 2833 C CA . SER A 365 ? 0.1190 0.0899 0.0832 0.0072 -0.0366 -0.0238 441 SER A CA 2834 C C . SER A 365 ? 0.1193 0.0976 0.1082 -0.0014 -0.0115 -0.0508 441 SER A C 2835 O O . SER A 365 ? 0.1185 0.1152 0.1020 -0.0026 0.0024 -0.0474 441 SER A O 2836 C CB . SER A 365 ? 0.1333 0.1056 0.0559 -0.0023 -0.0014 0.0093 441 SER A CB 2837 O OG . SER A 365 ? 0.1336 0.1090 0.0580 -0.0166 0.0118 -0.0069 441 SER A OG 2838 N N . SER A 366 ? 0.1063 0.0920 0.1161 -0.0112 -0.0287 -0.0297 442 SER A N 2839 C CA . SER A 366 ? 0.1062 0.0952 0.0934 -0.0008 -0.0347 -0.0457 442 SER A CA 2840 C C . SER A 366 ? 0.1023 0.1170 0.0929 0.0144 -0.0250 -0.0496 442 SER A C 2841 O O . SER A 366 ? 0.1280 0.1644 0.1135 0.0428 -0.0158 -0.0540 442 SER A O 2842 C CB . SER A 366 ? 0.0940 0.1003 0.1447 -0.0141 -0.0362 -0.0063 442 SER A CB 2843 O OG . SER A 366 ? 0.1015 0.1122 0.1865 -0.0283 -0.0196 0.0070 442 SER A OG 2844 N N . SER A 367 ? 0.0951 0.1131 0.0875 -0.0133 -0.0237 -0.0411 443 SER A N 2845 C CA . SER A 367 ? 0.1141 0.1369 0.1117 -0.0121 -0.0137 -0.0228 443 SER A CA 2846 C C . SER A 367 ? 0.1402 0.1159 0.1420 0.0021 -0.0347 -0.0229 443 SER A C 2847 O O . SER A 367 ? 0.1634 0.1318 0.1453 0.0162 -0.0309 -0.0369 443 SER A O 2848 C CB . SER A 367 ? 0.1223 0.1833 0.1052 0.0215 0.0522 -0.0142 443 SER A CB 2849 O OG . SER A 367 ? 0.1497 0.2402 0.1364 0.0124 0.0486 0.0073 443 SER A OG 2850 N N . THR A 368 ? 0.0946 0.0993 0.1217 -0.0018 -0.0412 -0.0078 444 THR A N 2851 C CA . THR A 368 ? 0.1104 0.1055 0.0894 0.0023 -0.0032 -0.0157 444 THR A CA 2852 C C . THR A 368 ? 0.1072 0.1064 0.0684 0.0192 -0.0258 -0.0195 444 THR A C 2853 O O . THR A 368 ? 0.1366 0.1310 0.0667 0.0172 -0.0324 0.0029 444 THR A O 2854 C CB . THR A 368 ? 0.1147 0.1086 0.0944 0.0126 0.0077 -0.0024 444 THR A CB 2855 O OG1 . THR A 368 ? 0.1309 0.1077 0.1262 0.0143 0.0030 -0.0384 444 THR A OG1 2856 C CG2 . THR A 368 ? 0.1117 0.0884 0.0923 0.0138 0.0057 0.0101 444 THR A CG2 2857 N N . VAL A 369 ? 0.0905 0.1031 0.0749 0.0142 -0.0307 -0.0430 445 VAL A N 2858 C CA . VAL A 369 ? 0.0988 0.1197 0.0530 -0.0045 -0.0059 -0.0248 445 VAL A CA 2859 C C . VAL A 369 ? 0.1016 0.1045 0.0864 -0.0155 -0.0164 -0.0125 445 VAL A C 2860 O O . VAL A 369 ? 0.1204 0.0869 0.1121 0.0100 -0.0184 -0.0191 445 VAL A O 2861 C CB . VAL A 369 ? 0.1145 0.1515 0.0821 -0.0136 -0.0027 -0.0115 445 VAL A CB 2862 C CG1 . VAL A 369 ? 0.1401 0.1730 0.0745 -0.0123 0.0224 0.0143 445 VAL A CG1 2863 C CG2 . VAL A 369 ? 0.1169 0.1542 0.1232 -0.0026 -0.0022 -0.0158 445 VAL A CG2 2864 N N . PHE A 370 ? 0.0875 0.1064 0.0659 -0.0261 -0.0247 -0.0131 446 PHE A N 2865 C CA . PHE A 370 ? 0.0995 0.1176 0.0513 0.0007 -0.0102 -0.0423 446 PHE A CA 2866 C C . PHE A 370 ? 0.1231 0.1272 0.0906 -0.0095 -0.0042 -0.0456 446 PHE A C 2867 O O . PHE A 370 ? 0.1329 0.1222 0.1096 -0.0037 -0.0131 -0.0576 446 PHE A O 2868 C CB . PHE A 370 ? 0.0957 0.1424 0.0494 0.0186 0.0080 -0.0348 446 PHE A CB 2869 C CG . PHE A 370 ? 0.1135 0.1680 0.0717 0.0388 0.0203 0.0094 446 PHE A CG 2870 C CD1 . PHE A 370 ? 0.1075 0.1696 0.0435 0.0420 0.0221 -0.0057 446 PHE A CD1 2871 C CD2 . PHE A 370 ? 0.1271 0.1666 0.1316 0.0352 0.0307 -0.0164 446 PHE A CD2 2872 C CE1 . PHE A 370 ? 0.1097 0.1847 0.0788 0.0344 0.0475 -0.0057 446 PHE A CE1 2873 C CE2 . PHE A 370 ? 0.1392 0.1621 0.1117 0.0386 0.0382 -0.0060 446 PHE A CE2 2874 C CZ . PHE A 370 ? 0.1248 0.1722 0.0981 0.0479 0.0382 -0.0003 446 PHE A CZ 2875 N N . CYS A 371 ? 0.1209 0.1346 0.0770 0.0049 -0.0350 -0.0064 447 CYS A N 2876 C CA . CYS A 371 ? 0.1321 0.1517 0.1010 0.0033 -0.0323 -0.0209 447 CYS A CA 2877 C C . CYS A 371 ? 0.1310 0.1365 0.1337 0.0086 -0.0618 -0.0066 447 CYS A C 2878 O O . CYS A 371 ? 0.1328 0.1331 0.1597 0.0108 -0.0520 0.0131 447 CYS A O 2879 C CB . CYS A 371 ? 0.1409 0.1703 0.1592 -0.0183 -0.0180 -0.0343 447 CYS A CB 2880 S SG . CYS A 371 ? 0.1724 0.1654 0.1831 -0.0122 -0.0133 -0.0212 447 CYS A SG 2881 N N . GLY A 372 ? 0.1367 0.1432 0.1290 -0.0043 -0.0707 -0.0120 448 GLY A N 2882 C CA . GLY A 372 ? 0.1274 0.1356 0.1354 -0.0229 -0.0718 -0.0508 448 GLY A CA 2883 C C . GLY A 372 ? 0.1488 0.1602 0.1381 -0.0028 -0.0385 -0.0462 448 GLY A C 2884 O O . GLY A 372 ? 0.1755 0.1907 0.1723 -0.0137 -0.0343 -0.0564 448 GLY A O 2885 N N . VAL A 373 ? 0.1531 0.1533 0.1505 -0.0126 -0.0513 -0.0375 449 VAL A N 2886 C CA . VAL A 373 ? 0.1641 0.1515 0.1771 -0.0220 -0.0678 -0.0153 449 VAL A CA 2887 C C . VAL A 373 ? 0.1903 0.1838 0.1769 -0.0267 -0.0546 -0.0191 449 VAL A C 2888 O O . VAL A 373 ? 0.1657 0.1655 0.1915 -0.0402 -0.0272 -0.0028 449 VAL A O 2889 C CB . VAL A 373 ? 0.1835 0.1684 0.2137 -0.0067 -0.0480 0.0063 449 VAL A CB 2890 C CG1 . VAL A 373 ? 0.2046 0.1681 0.2671 0.0121 -0.0710 0.0061 449 VAL A CG1 2891 C CG2 . VAL A 373 ? 0.1976 0.1629 0.1653 -0.0257 -0.0239 0.0025 449 VAL A CG2 2892 N N A SER A 374 ? 0.2043 0.2031 0.1806 -0.0345 -0.0423 -0.0392 450 SER A N 2893 N N B SER A 374 ? 0.2110 0.2035 0.1766 -0.0343 -0.0580 -0.0446 450 SER A N 2894 C CA A SER A 374 ? 0.2204 0.2387 0.2126 -0.0528 -0.0282 -0.0402 450 SER A CA 2895 C CA B SER A 374 ? 0.2347 0.2461 0.2206 -0.0561 -0.0619 -0.0425 450 SER A CA 2896 C C A SER A 374 ? 0.2278 0.2662 0.2515 -0.0595 -0.0506 -0.0425 450 SER A C 2897 C C B SER A 374 ? 0.2343 0.2793 0.2647 -0.0653 -0.0716 -0.0396 450 SER A C 2898 O O A SER A 374 ? 0.2481 0.2914 0.2921 -0.0453 -0.0497 -0.0297 450 SER A O 2899 O O B SER A 374 ? 0.2593 0.3172 0.3187 -0.0613 -0.0784 -0.0234 450 SER A O 2900 C CB A SER A 374 ? 0.2348 0.2522 0.2346 -0.0549 0.0127 -0.0451 450 SER A CB 2901 C CB B SER A 374 ? 0.2654 0.2611 0.2617 -0.0581 -0.0501 -0.0527 450 SER A CB 2902 O OG A SER A 374 ? 0.2412 0.2638 0.2484 -0.0543 0.0462 -0.0439 450 SER A OG 2903 O OG B SER A 374 ? 0.2846 0.2743 0.2973 -0.0587 -0.0521 -0.0605 450 SER A OG 2904 N N . SER A 375 ? 0.2331 0.2662 0.2550 -0.0677 -0.0540 -0.0344 451 SER A N 2905 C CA . SER A 375 ? 0.2528 0.2786 0.2753 -0.0362 -0.0184 -0.0240 451 SER A CA 2906 C C . SER A 375 ? 0.2222 0.2561 0.2211 -0.0309 -0.0208 -0.0080 451 SER A C 2907 O O . SER A 375 ? 0.2102 0.2493 0.2173 -0.0213 -0.0165 -0.0098 451 SER A O 2908 C CB . SER A 375 ? 0.2840 0.3091 0.3668 0.0051 -0.0050 -0.0014 451 SER A CB 2909 O OG . SER A 375 ? 0.3183 0.3320 0.4479 0.0214 -0.0033 0.0080 451 SER A OG 2910 N N . GLU A 376 ? 0.1992 0.2387 0.2039 -0.0249 -0.0213 0.0249 452 GLU A N 2911 C CA . GLU A 376 ? 0.2165 0.2415 0.2080 -0.0085 -0.0610 0.0395 452 GLU A CA 2912 C C . GLU A 376 ? 0.2288 0.2233 0.1939 -0.0133 -0.0576 0.0075 452 GLU A C 2913 O O . GLU A 376 ? 0.2580 0.2334 0.2061 0.0014 -0.0801 -0.0252 452 GLU A O 2914 C CB . GLU A 376 ? 0.2342 0.2813 0.2993 0.0097 -0.0733 0.0786 452 GLU A CB 2915 C CG . GLU A 376 ? 0.2640 0.3319 0.4063 0.0153 -0.0800 0.1007 452 GLU A CG 2916 C CD . GLU A 376 ? 0.3139 0.3943 0.5185 0.0208 -0.0721 0.1121 452 GLU A CD 2917 O OE1 . GLU A 376 ? 0.3453 0.4224 0.5894 0.0049 -0.0570 0.0941 452 GLU A OE1 2918 O OE2 . GLU A 376 ? 0.3305 0.4249 0.5526 0.0249 -0.0609 0.1168 452 GLU A OE2 2919 N N . VAL A 377 ? 0.2164 0.2109 0.1355 -0.0138 -0.0459 0.0216 453 VAL A N 2920 C CA . VAL A 377 ? 0.1921 0.2174 0.1408 -0.0092 -0.0098 0.0136 453 VAL A CA 2921 C C . VAL A 377 ? 0.1794 0.1891 0.1736 -0.0001 -0.0232 0.0116 453 VAL A C 2922 O O . VAL A 377 ? 0.1894 0.1945 0.1876 0.0033 -0.0193 0.0075 453 VAL A O 2923 C CB . VAL A 377 ? 0.2168 0.2545 0.1426 0.0106 0.0155 0.0197 453 VAL A CB 2924 C CG1 . VAL A 377 ? 0.2165 0.2663 0.1217 0.0218 0.0202 0.0541 453 VAL A CG1 2925 C CG2 . VAL A 377 ? 0.2211 0.2711 0.1748 0.0139 0.0058 0.0291 453 VAL A CG2 2926 N N . PRO A 378 ? 0.1762 0.1536 0.1646 -0.0014 -0.0356 0.0082 454 PRO A N 2927 C CA . PRO A 378 ? 0.1856 0.1345 0.1691 -0.0078 -0.0417 0.0121 454 PRO A CA 2928 C C . PRO A 378 ? 0.1654 0.1327 0.1534 -0.0078 -0.0214 -0.0044 454 PRO A C 2929 O O . PRO A 378 ? 0.1422 0.1436 0.1751 -0.0286 -0.0006 -0.0225 454 PRO A O 2930 C CB . PRO A 378 ? 0.2276 0.1426 0.1892 -0.0371 -0.0510 0.0197 454 PRO A CB 2931 C CG . PRO A 378 ? 0.2276 0.1726 0.2380 -0.0080 0.0174 0.0141 454 PRO A CG 2932 C CD . PRO A 378 ? 0.2033 0.1602 0.2045 -0.0035 0.0018 0.0216 454 PRO A CD 2933 N N . GLY A 379 ? 0.1697 0.1086 0.1707 -0.0004 -0.0419 -0.0518 455 GLY A N 2934 C CA . GLY A 379 ? 0.1755 0.1282 0.1905 -0.0072 -0.0453 -0.0251 455 GLY A CA 2935 C C . GLY A 379 ? 0.1769 0.1513 0.1893 -0.0141 -0.0147 -0.0326 455 GLY A C 2936 O O . GLY A 379 ? 0.1700 0.1651 0.2026 -0.0203 -0.0067 -0.0389 455 GLY A O 2937 N N . TRP A 380 ? 0.1560 0.1525 0.1704 -0.0152 -0.0119 -0.0048 456 TRP A N 2938 C CA . TRP A 380 ? 0.1691 0.1448 0.1904 0.0038 -0.0069 -0.0133 456 TRP A CA 2939 C C . TRP A 380 ? 0.1534 0.1325 0.1764 -0.0056 -0.0210 -0.0121 456 TRP A C 2940 O O . TRP A 380 ? 0.1741 0.1280 0.2155 -0.0145 -0.0689 0.0032 456 TRP A O 2941 C CB . TRP A 380 ? 0.1585 0.1323 0.1372 0.0216 0.0187 0.0206 456 TRP A CB 2942 C CG . TRP A 380 ? 0.1584 0.1324 0.1229 0.0087 0.0287 0.0058 456 TRP A CG 2943 C CD1 . TRP A 380 ? 0.1591 0.1314 0.1175 0.0090 0.0097 0.0231 456 TRP A CD1 2944 C CD2 . TRP A 380 ? 0.1411 0.1208 0.1133 -0.0120 0.0396 -0.0165 456 TRP A CD2 2945 N NE1 . TRP A 380 ? 0.1507 0.1237 0.1268 0.0165 0.0151 0.0085 456 TRP A NE1 2946 C CE2 . TRP A 380 ? 0.1457 0.1381 0.1168 0.0082 0.0148 -0.0135 456 TRP A CE2 2947 C CE3 . TRP A 380 ? 0.1476 0.1433 0.1267 -0.0136 0.0062 -0.0246 456 TRP A CE3 2948 C CZ2 . TRP A 380 ? 0.1522 0.1516 0.1343 -0.0167 0.0147 -0.0274 456 TRP A CZ2 2949 C CZ3 . TRP A 380 ? 0.1460 0.1581 0.0997 -0.0158 -0.0099 -0.0158 456 TRP A CZ3 2950 C CH2 . TRP A 380 ? 0.1467 0.1477 0.1087 -0.0108 -0.0020 -0.0101 456 TRP A CH2 2951 N N . SER A 381 ? 0.1101 0.1289 0.1556 0.0018 0.0400 -0.0200 457 SER A N 2952 C CA . SER A 381 ? 0.1129 0.1441 0.1397 0.0005 0.0384 -0.0199 457 SER A CA 2953 C C . SER A 381 ? 0.1103 0.1439 0.1178 0.0026 0.0424 -0.0194 457 SER A C 2954 O O . SER A 381 ? 0.1325 0.1500 0.1404 -0.0120 0.0363 0.0134 457 SER A O 2955 C CB . SER A 381 ? 0.1205 0.1467 0.1232 0.0065 0.0482 -0.0507 457 SER A CB 2956 O OG . SER A 381 ? 0.1350 0.1540 0.1608 0.0181 0.0443 -0.0431 457 SER A OG 2957 N N . TRP A 382 ? 0.1066 0.1447 0.0981 -0.0004 0.0529 -0.0136 458 TRP A N 2958 C CA . TRP A 382 ? 0.1028 0.1319 0.0661 -0.0055 0.0085 -0.0335 458 TRP A CA 2959 C C . TRP A 382 ? 0.1194 0.1173 0.1063 0.0091 0.0143 -0.0310 458 TRP A C 2960 O O . TRP A 382 ? 0.1254 0.1031 0.1212 -0.0056 0.0141 -0.0107 458 TRP A O 2961 C CB . TRP A 382 ? 0.1119 0.1242 0.0598 -0.0092 -0.0173 -0.0359 458 TRP A CB 2962 C CG . TRP A 382 ? 0.1072 0.1113 0.0850 -0.0079 -0.0124 -0.0152 458 TRP A CG 2963 C CD1 . TRP A 382 ? 0.1163 0.1164 0.1135 -0.0260 -0.0072 0.0019 458 TRP A CD1 2964 C CD2 . TRP A 382 ? 0.1112 0.1282 0.1133 -0.0032 -0.0159 -0.0109 458 TRP A CD2 2965 N NE1 . TRP A 382 ? 0.1134 0.1181 0.1084 -0.0208 0.0038 0.0159 458 TRP A NE1 2966 C CE2 . TRP A 382 ? 0.1042 0.1363 0.1243 -0.0231 -0.0090 -0.0021 458 TRP A CE2 2967 C CE3 . TRP A 382 ? 0.1021 0.1344 0.1359 -0.0194 -0.0120 -0.0059 458 TRP A CE3 2968 C CZ2 . TRP A 382 ? 0.0954 0.1592 0.1402 -0.0180 0.0396 -0.0001 458 TRP A CZ2 2969 C CZ3 . TRP A 382 ? 0.1034 0.1194 0.1323 -0.0307 0.0226 0.0021 458 TRP A CZ3 2970 C CH2 . TRP A 382 ? 0.1106 0.1448 0.1587 -0.0143 0.0310 -0.0144 458 TRP A CH2 2971 N N . ASP A 383 ? 0.1073 0.1205 0.0851 0.0145 0.0145 -0.0599 459 ASP A N 2972 C CA . ASP A 383 ? 0.1065 0.1257 0.0542 -0.0044 0.0041 -0.0554 459 ASP A CA 2973 C C . ASP A 383 ? 0.1060 0.1292 0.0723 -0.0151 0.0038 -0.0409 459 ASP A C 2974 O O . ASP A 383 ? 0.1043 0.1443 0.0845 -0.0041 0.0066 -0.0343 459 ASP A O 2975 C CB . ASP A 383 ? 0.1368 0.1592 0.0886 0.0111 0.0156 0.0007 459 ASP A CB 2976 C CG . ASP A 383 ? 0.1671 0.1964 0.1240 0.0010 0.0139 0.0242 459 ASP A CG 2977 O OD1 . ASP A 383 ? 0.1610 0.2233 0.1732 -0.0119 -0.0192 0.0298 459 ASP A OD1 2978 O OD2 . ASP A 383 ? 0.1840 0.2050 0.1316 0.0157 0.0203 0.0135 459 ASP A OD2 2979 N N . ASP A 384 ? 0.0942 0.1253 0.0835 -0.0314 -0.0052 -0.0235 460 ASP A N 2980 C CA . ASP A 384 ? 0.0914 0.1148 0.0912 -0.0298 -0.0165 -0.0211 460 ASP A CA 2981 C C . ASP A 384 ? 0.1072 0.1184 0.1064 -0.0054 0.0011 -0.0290 460 ASP A C 2982 O O . ASP A 384 ? 0.1191 0.1106 0.1144 0.0166 -0.0015 -0.0205 460 ASP A O 2983 C CB . ASP A 384 ? 0.0982 0.1220 0.1207 -0.0272 -0.0171 -0.0163 460 ASP A CB 2984 C CG . ASP A 384 ? 0.1230 0.1202 0.1236 -0.0272 -0.0053 -0.0184 460 ASP A CG 2985 O OD1 . ASP A 384 ? 0.1436 0.1277 0.1540 -0.0277 0.0218 0.0031 460 ASP A OD1 2986 O OD2 . ASP A 384 ? 0.1391 0.1110 0.1406 -0.0047 0.0061 -0.0257 460 ASP A OD2 2987 N N . GLY A 385 ? 0.1192 0.1201 0.0953 -0.0125 -0.0094 -0.0142 461 GLY A N 2988 C CA . GLY A 385 ? 0.1272 0.1150 0.1303 -0.0222 -0.0338 0.0004 461 GLY A CA 2989 C C . GLY A 385 ? 0.1306 0.1173 0.1369 -0.0029 -0.0024 -0.0142 461 GLY A C 2990 O O . GLY A 385 ? 0.1439 0.1119 0.1693 0.0055 0.0291 -0.0377 461 GLY A O 2991 N N . ALA A 386 ? 0.1152 0.1217 0.1046 -0.0103 0.0038 -0.0094 462 ALA A N 2992 C CA . ALA A 386 ? 0.1205 0.1356 0.0715 -0.0125 0.0244 -0.0141 462 ALA A CA 2993 C C . ALA A 386 ? 0.1168 0.1414 0.0849 0.0154 0.0295 -0.0188 462 ALA A C 2994 O O . ALA A 386 ? 0.1209 0.1490 0.0984 0.0169 0.0158 -0.0154 462 ALA A O 2995 C CB . ALA A 386 ? 0.1378 0.1562 0.1073 -0.0273 0.0351 -0.0271 462 ALA A CB 2996 N N . ILE A 387 ? 0.1294 0.1306 0.0521 0.0201 0.0149 0.0059 463 ILE A N 2997 C CA . ILE A 387 ? 0.1616 0.1284 0.1086 -0.0053 0.0164 0.0070 463 ILE A CA 2998 C C . ILE A 387 ? 0.1483 0.1451 0.0947 -0.0112 -0.0077 0.0159 463 ILE A C 2999 O O . ILE A 387 ? 0.1409 0.1523 0.1108 -0.0054 0.0044 0.0203 463 ILE A O 3000 C CB . ILE A 387 ? 0.2066 0.1299 0.1428 -0.0250 -0.0047 0.0214 463 ILE A CB 3001 C CG1 . ILE A 387 ? 0.2348 0.1361 0.2029 -0.0321 -0.0265 0.0541 463 ILE A CG1 3002 C CG2 . ILE A 387 ? 0.2161 0.1389 0.1557 -0.0614 -0.0103 0.0444 463 ILE A CG2 3003 C CD1 . ILE A 387 ? 0.2611 0.1418 0.2536 -0.0276 -0.0299 0.0302 463 ILE A CD1 3004 N N . LEU A 388 ? 0.1682 0.1500 0.0885 0.0038 0.0048 0.0012 464 LEU A N 3005 C CA . LEU A 388 ? 0.1760 0.1286 0.1006 0.0072 0.0192 -0.0128 464 LEU A CA 3006 C C . LEU A 388 ? 0.1767 0.1661 0.1109 -0.0009 0.0462 -0.0169 464 LEU A C 3007 O O . LEU A 388 ? 0.1873 0.2035 0.1262 -0.0190 0.0570 -0.0347 464 LEU A O 3008 C CB . LEU A 388 ? 0.1703 0.1129 0.1068 0.0125 0.0219 -0.0092 464 LEU A CB 3009 C CG . LEU A 388 ? 0.1608 0.0858 0.1038 0.0298 0.0253 -0.0164 464 LEU A CG 3010 C CD1 . LEU A 388 ? 0.1552 0.0911 0.0909 0.0126 0.0348 -0.0212 464 LEU A CD1 3011 C CD2 . LEU A 388 ? 0.1687 0.1004 0.1525 0.0357 0.0101 -0.0084 464 LEU A CD2 3012 N N . PRO A 389 ? 0.1761 0.1878 0.1018 0.0022 0.0367 -0.0203 465 PRO A N 3013 C CA . PRO A 389 ? 0.1799 0.1697 0.1076 -0.0054 0.0232 -0.0402 465 PRO A CA 3014 C C . PRO A 389 ? 0.1688 0.1582 0.1060 -0.0058 0.0308 -0.0208 465 PRO A C 3015 O O . PRO A 389 ? 0.1833 0.1335 0.1444 -0.0008 0.0423 -0.0050 465 PRO A O 3016 C CB . PRO A 389 ? 0.1944 0.1904 0.1347 -0.0146 0.0506 -0.0890 465 PRO A CB 3017 C CG . PRO A 389 ? 0.2209 0.2089 0.1760 -0.0137 0.0646 -0.0490 465 PRO A CG 3018 C CD . PRO A 389 ? 0.2040 0.1941 0.1079 0.0061 0.0506 -0.0535 465 PRO A CD 3019 N N . PHE A 390 ? 0.1561 0.1693 0.0876 -0.0103 0.0477 -0.0184 466 PHE A N 3020 C CA . PHE A 390 ? 0.1537 0.1585 0.0812 0.0183 0.0403 -0.0160 466 PHE A CA 3021 C C . PHE A 390 ? 0.1664 0.1556 0.1209 -0.0002 0.0305 -0.0101 466 PHE A C 3022 O O . PHE A 390 ? 0.1629 0.1448 0.1293 0.0011 0.0188 -0.0110 466 PHE A O 3023 C CB . PHE A 390 ? 0.1671 0.1723 0.0777 0.0106 0.0600 -0.0171 466 PHE A CB 3024 C CG . PHE A 390 ? 0.1661 0.1831 0.0629 0.0360 0.0564 -0.0267 466 PHE A CG 3025 C CD1 . PHE A 390 ? 0.1734 0.1731 0.0799 0.0653 0.0083 -0.0359 466 PHE A CD1 3026 C CD2 . PHE A 390 ? 0.1716 0.1907 0.0309 0.0354 0.0514 -0.0374 466 PHE A CD2 3027 C CE1 . PHE A 390 ? 0.1673 0.1832 0.0607 0.0946 0.0387 -0.0178 466 PHE A CE1 3028 C CE2 . PHE A 390 ? 0.1630 0.1856 0.0701 0.0551 0.0448 -0.0234 466 PHE A CE2 3029 C CZ . PHE A 390 ? 0.1561 0.1875 0.0748 0.0700 0.0447 -0.0118 466 PHE A CZ 3030 N N . ASP A 391 ? 0.1642 0.1646 0.1476 -0.0036 0.0087 -0.0002 467 ASP A N 3031 C CA . ASP A 391 ? 0.1623 0.1748 0.1709 0.0012 -0.0013 -0.0128 467 ASP A CA 3032 C C . ASP A 391 ? 0.1616 0.1895 0.1419 -0.0072 -0.0070 -0.0236 467 ASP A C 3033 O O . ASP A 391 ? 0.1652 0.2133 0.1297 0.0146 -0.0171 -0.0344 467 ASP A O 3034 C CB . ASP A 391 ? 0.1975 0.1880 0.2284 0.0265 0.0064 -0.0254 467 ASP A CB 3035 C CG . ASP A 391 ? 0.2310 0.2181 0.3010 0.0313 0.0279 -0.0217 467 ASP A CG 3036 O OD1 . ASP A 391 ? 0.2628 0.2301 0.3336 0.0263 0.0232 -0.0102 467 ASP A OD1 3037 O OD2 . ASP A 391 ? 0.2505 0.2244 0.3213 0.0215 0.0338 -0.0152 467 ASP A OD2 3038 N N . ILE A 392 ? 0.1547 0.1665 0.1150 -0.0219 -0.0056 -0.0130 468 ILE A N 3039 C CA . ILE A 392 ? 0.1590 0.1609 0.0640 -0.0175 0.0213 -0.0148 468 ILE A CA 3040 C C . ILE A 392 ? 0.1621 0.1679 0.0854 -0.0078 0.0011 -0.0279 468 ILE A C 3041 O O . ILE A 392 ? 0.1751 0.1823 0.1163 -0.0186 -0.0070 -0.0201 468 ILE A O 3042 C CB . ILE A 392 ? 0.1613 0.1664 0.0756 -0.0332 -0.0146 -0.0061 468 ILE A CB 3043 C CG1 . ILE A 392 ? 0.1527 0.1723 0.1074 -0.0449 -0.0068 0.0087 468 ILE A CG1 3044 C CG2 . ILE A 392 ? 0.1623 0.1778 0.1080 -0.0255 -0.0412 -0.0104 468 ILE A CG2 3045 C CD1 . ILE A 392 ? 0.1436 0.1774 0.1150 -0.0384 -0.0061 0.0426 468 ILE A CD1 3046 N N . ASP A 393 ? 0.1479 0.1840 0.0915 0.0130 0.0156 -0.0363 469 ASP A N 3047 C CA . ASP A 393 ? 0.1907 0.2164 0.0697 0.0085 0.0294 -0.0164 469 ASP A CA 3048 C C . ASP A 393 ? 0.2500 0.2719 0.0796 0.0211 0.0330 -0.0384 469 ASP A C 3049 O O . ASP A 393 ? 0.2611 0.2805 0.0999 0.0531 0.0600 -0.0325 469 ASP A O 3050 C CB . ASP A 393 ? 0.1912 0.1993 0.0742 0.0030 -0.0112 -0.0033 469 ASP A CB 3051 C CG . ASP A 393 ? 0.1973 0.1751 0.0980 0.0012 -0.0089 -0.0049 469 ASP A CG 3052 O OD1 . ASP A 393 ? 0.2132 0.1722 0.0873 -0.0061 0.0095 -0.0015 469 ASP A OD1 3053 O OD2 . ASP A 393 ? 0.1947 0.1493 0.1155 0.0063 0.0163 -0.0218 469 ASP A OD2 3054 N N . LYS A 394 ? 0.3054 0.3338 0.1189 0.0140 0.0075 -0.0094 470 LYS A N 3055 C CA . LYS A 394 ? 0.3806 0.3966 0.2823 -0.0187 -0.0233 -0.0085 470 LYS A CA 3056 C C . LYS A 394 ? 0.4112 0.4351 0.3912 -0.0401 -0.0530 -0.0335 470 LYS A C 3057 O O . LYS A 394 ? 0.4404 0.4672 0.4693 -0.0518 -0.0571 -0.0375 470 LYS A O 3058 C CB . LYS A 394 ? 0.4261 0.4145 0.3638 -0.0183 -0.0352 0.0265 470 LYS A CB 3059 C CG . LYS A 394 ? 0.4760 0.4370 0.4843 -0.0176 -0.0525 0.0282 470 LYS A CG 3060 C CD . LYS A 394 ? 0.5067 0.4602 0.5600 -0.0135 -0.0640 0.0132 470 LYS A CD 3061 C CE . LYS A 394 ? 0.5313 0.4737 0.6113 -0.0086 -0.0783 0.0110 470 LYS A CE 3062 N NZ . LYS A 394 ? 0.5444 0.4715 0.6357 -0.0018 -0.0758 0.0103 470 LYS A NZ 3063 N N . PRO B 1 ? 0.5427 0.5920 0.6880 0.0762 0.0020 0.0178 82 PRO B N 3064 C CA . PRO B 1 ? 0.5215 0.5673 0.6530 0.0824 -0.0023 0.0233 82 PRO B CA 3065 C C . PRO B 1 ? 0.4785 0.5146 0.5504 0.0854 -0.0263 0.0302 82 PRO B C 3066 O O . PRO B 1 ? 0.4800 0.5167 0.5746 0.0849 -0.0286 0.0337 82 PRO B O 3067 C CB . PRO B 1 ? 0.5440 0.5900 0.6963 0.0844 0.0068 0.0249 82 PRO B CB 3068 C CG . PRO B 1 ? 0.5613 0.6061 0.7158 0.0769 0.0046 0.0208 82 PRO B CG 3069 C CD . PRO B 1 ? 0.5596 0.6041 0.7093 0.0769 -0.0003 0.0216 82 PRO B CD 3070 N N . GLU B 2 ? 0.4205 0.4608 0.4088 0.0867 -0.0491 0.0372 83 GLU B N 3071 C CA . GLU B 2 ? 0.3885 0.4243 0.3347 0.0785 -0.0495 0.0449 83 GLU B CA 3072 C C . GLU B 2 ? 0.3069 0.3500 0.2090 0.0755 -0.0486 0.0434 83 GLU B C 3073 O O . GLU B 2 ? 0.3017 0.3398 0.1713 0.0892 -0.0309 0.0249 83 GLU B O 3074 C CB . GLU B 2 ? 0.4453 0.4729 0.4499 0.0669 -0.0273 0.0351 83 GLU B CB 3075 C CG . GLU B 2 ? 0.5045 0.5214 0.5529 0.0466 -0.0042 0.0280 83 GLU B CG 3076 C CD . GLU B 2 ? 0.5593 0.5615 0.6517 0.0240 0.0084 0.0013 83 GLU B CD 3077 O OE1 . GLU B 2 ? 0.5794 0.5700 0.7015 0.0142 0.0139 0.0005 83 GLU B OE1 3078 O OE2 . GLU B 2 ? 0.5810 0.5823 0.6723 0.0131 0.0080 -0.0186 83 GLU B OE2 3079 N N . PHE B 3 ? 0.2602 0.2997 0.1368 0.0583 -0.0215 0.0575 84 PHE B N 3080 C CA . PHE B 3 ? 0.2238 0.2633 0.0947 0.0391 -0.0146 0.0464 84 PHE B CA 3081 C C . PHE B 3 ? 0.2388 0.2576 0.1207 0.0368 -0.0075 0.0517 84 PHE B C 3082 O O . PHE B 3 ? 0.2562 0.2884 0.1280 0.0285 -0.0301 0.0706 84 PHE B O 3083 C CB . PHE B 3 ? 0.2147 0.2440 0.1065 0.0329 -0.0041 0.0334 84 PHE B CB 3084 C CG . PHE B 3 ? 0.2018 0.2410 0.1200 0.0151 0.0042 0.0057 84 PHE B CG 3085 C CD1 . PHE B 3 ? 0.1964 0.2427 0.1505 0.0237 0.0078 -0.0073 84 PHE B CD1 3086 C CD2 . PHE B 3 ? 0.2038 0.2595 0.1528 0.0089 -0.0006 -0.0084 84 PHE B CD2 3087 C CE1 . PHE B 3 ? 0.1984 0.2452 0.1353 0.0126 0.0087 -0.0219 84 PHE B CE1 3088 C CE2 . PHE B 3 ? 0.2047 0.2665 0.1515 0.0011 -0.0043 -0.0109 84 PHE B CE2 3089 C CZ . PHE B 3 ? 0.2040 0.2626 0.1457 0.0056 0.0094 -0.0062 84 PHE B CZ 3090 N N . LEU B 4 ? 0.2090 0.2283 0.1332 0.0424 -0.0163 0.0186 85 LEU B N 3091 C CA . LEU B 4 ? 0.2260 0.2081 0.1434 0.0389 0.0071 0.0134 85 LEU B CA 3092 C C . LEU B 4 ? 0.2228 0.1856 0.1480 0.0185 0.0375 0.0141 85 LEU B C 3093 O O . LEU B 4 ? 0.2254 0.1801 0.1993 0.0279 0.0422 0.0078 85 LEU B O 3094 C CB . LEU B 4 ? 0.2632 0.2206 0.1598 0.0674 0.0036 -0.0197 85 LEU B CB 3095 C CG . LEU B 4 ? 0.3012 0.2317 0.1749 0.0568 -0.0234 -0.0069 85 LEU B CG 3096 C CD1 . LEU B 4 ? 0.3065 0.2390 0.1543 0.0497 -0.0345 -0.0136 85 LEU B CD1 3097 C CD2 . LEU B 4 ? 0.3244 0.2426 0.2523 0.0594 -0.0413 -0.0038 85 LEU B CD2 3098 N N . ASN B 5 ? 0.2401 0.2001 0.1278 -0.0064 0.0430 0.0359 86 ASN B N 3099 C CA . ASN B 5 ? 0.2571 0.2106 0.1214 -0.0076 0.0443 0.0191 86 ASN B CA 3100 C C . ASN B 5 ? 0.2414 0.1968 0.1166 0.0011 0.0376 0.0053 86 ASN B C 3101 O O . ASN B 5 ? 0.2457 0.1884 0.1167 0.0013 0.0015 -0.0104 86 ASN B O 3102 C CB . ASN B 5 ? 0.2957 0.2253 0.1245 -0.0440 0.0430 0.0475 86 ASN B CB 3103 C CG . ASN B 5 ? 0.3396 0.2607 0.2207 -0.0647 0.0395 0.0456 86 ASN B CG 3104 O OD1 . ASN B 5 ? 0.3590 0.2806 0.2640 -0.0650 0.0363 0.0166 86 ASN B OD1 3105 N ND2 . ASN B 5 ? 0.3590 0.2908 0.2459 -0.0607 0.0506 0.0569 86 ASN B ND2 3106 N N . ASN B 6 ? 0.2147 0.1713 0.1294 0.0086 0.0604 -0.0178 87 ASN B N 3107 C CA . ASN B 6 ? 0.2139 0.1764 0.1223 0.0076 0.0476 0.0114 87 ASN B CA 3108 C C . ASN B 6 ? 0.2096 0.1643 0.1406 -0.0043 0.0262 0.0180 87 ASN B C 3109 O O . ASN B 6 ? 0.2355 0.1565 0.1522 -0.0190 0.0306 0.0264 87 ASN B O 3110 C CB . ASN B 6 ? 0.2428 0.2037 0.1406 0.0130 0.0530 0.0014 87 ASN B CB 3111 C CG . ASN B 6 ? 0.2751 0.1966 0.1454 0.0050 0.0350 -0.0010 87 ASN B CG 3112 O OD1 . ASN B 6 ? 0.2820 0.1850 0.1249 0.0088 0.0378 0.0147 87 ASN B OD1 3113 N ND2 . ASN B 6 ? 0.2933 0.1970 0.1792 0.0165 0.0560 0.0147 87 ASN B ND2 3114 N N . THR B 7 ? 0.1985 0.1661 0.1337 0.0003 0.0362 0.0008 88 THR B N 3115 C CA . THR B 7 ? 0.2111 0.1796 0.1194 0.0004 0.0451 0.0146 88 THR B CA 3116 C C . THR B 7 ? 0.2104 0.1697 0.1220 0.0136 0.0331 0.0286 88 THR B C 3117 O O . THR B 7 ? 0.2162 0.1858 0.1502 0.0215 0.0288 0.0301 88 THR B O 3118 C CB . THR B 7 ? 0.2432 0.2156 0.1474 -0.0002 0.0141 0.0041 88 THR B CB 3119 O OG1 . THR B 7 ? 0.2659 0.2577 0.1682 0.0034 0.0046 -0.0078 88 THR B OG1 3120 C CG2 . THR B 7 ? 0.2649 0.2317 0.1807 -0.0067 -0.0013 -0.0260 88 THR B CG2 3121 N N . GLU B 8 ? 0.2087 0.1593 0.1089 0.0050 0.0212 0.0473 89 GLU B N 3122 C CA . GLU B 8 ? 0.1917 0.1439 0.1373 0.0235 0.0196 0.0366 89 GLU B CA 3123 C C . GLU B 8 ? 0.1866 0.1477 0.1431 -0.0010 0.0336 0.0325 89 GLU B C 3124 O O . GLU B 8 ? 0.2041 0.1547 0.1487 -0.0080 0.0007 0.0186 89 GLU B O 3125 C CB . GLU B 8 ? 0.1914 0.1649 0.1681 0.0421 0.0086 0.0271 89 GLU B CB 3126 C CG . GLU B 8 ? 0.2055 0.1970 0.2037 0.0434 -0.0127 0.0339 89 GLU B CG 3127 C CD . GLU B 8 ? 0.2348 0.2429 0.2919 0.0516 -0.0290 0.0230 89 GLU B CD 3128 O OE1 . GLU B 8 ? 0.2265 0.2260 0.3843 0.0349 -0.0043 0.0537 89 GLU B OE1 3129 O OE2 . GLU B 8 ? 0.2681 0.2847 0.3340 0.0429 -0.0307 -0.0425 89 GLU B OE2 3130 N N . PRO B 9 ? 0.1868 0.1672 0.1316 -0.0066 0.0373 0.0424 90 PRO B N 3131 C CA . PRO B 9 ? 0.1767 0.1791 0.1144 -0.0168 0.0270 0.0404 90 PRO B CA 3132 C C . PRO B 9 ? 0.1606 0.1764 0.1279 -0.0082 0.0250 0.0414 90 PRO B C 3133 O O . PRO B 9 ? 0.1651 0.1853 0.1491 -0.0193 -0.0001 0.0143 90 PRO B O 3134 C CB . PRO B 9 ? 0.1855 0.2007 0.1401 -0.0148 0.0339 0.0274 90 PRO B CB 3135 C CG . PRO B 9 ? 0.1950 0.1935 0.1601 -0.0228 0.0294 0.0474 90 PRO B CG 3136 C CD . PRO B 9 ? 0.1961 0.1705 0.1500 -0.0195 0.0230 0.0651 90 PRO B CD 3137 N N . LEU B 10 ? 0.1538 0.1619 0.1147 -0.0015 0.0266 0.0224 91 LEU B N 3138 C CA . LEU B 10 ? 0.1582 0.1605 0.1086 0.0160 0.0212 0.0442 91 LEU B CA 3139 C C . LEU B 10 ? 0.1623 0.1618 0.1441 0.0073 0.0385 0.0017 91 LEU B C 3140 O O . LEU B 10 ? 0.1683 0.1707 0.1825 0.0202 0.0456 -0.0127 91 LEU B O 3141 C CB . LEU B 10 ? 0.1414 0.1830 0.1216 0.0227 0.0317 0.0339 91 LEU B CB 3142 C CG . LEU B 10 ? 0.0924 0.1893 0.1261 0.0117 0.0266 0.0283 91 LEU B CG 3143 C CD1 . LEU B 10 ? 0.0662 0.1872 0.1540 -0.0114 0.0099 0.0062 91 LEU B CD1 3144 C CD2 . LEU B 10 ? 0.0884 0.1802 0.1534 0.0359 -0.0058 0.0466 91 LEU B CD2 3145 N N . CYS B 11 ? 0.1628 0.1430 0.1300 0.0163 0.0250 0.0107 92 CYS B N 3146 C CA . CYS B 11 ? 0.1715 0.1606 0.1594 -0.0006 0.0526 0.0044 92 CYS B CA 3147 C C . CYS B 11 ? 0.1455 0.1563 0.1790 -0.0061 0.0666 0.0117 92 CYS B C 3148 O O . CYS B 11 ? 0.1459 0.1702 0.1688 -0.0137 0.0411 0.0145 92 CYS B O 3149 C CB . CYS B 11 ? 0.2076 0.1953 0.2187 0.0079 0.0468 0.0031 92 CYS B CB 3150 S SG . CYS B 11 ? 0.2475 0.2353 0.2734 0.0087 0.0621 0.0442 92 CYS B SG 3151 N N . ASN B 12 ? 0.1487 0.1543 0.1874 -0.0426 0.0639 -0.0133 93 ASN B N 3152 C CA . ASN B 12 ? 0.1684 0.1806 0.1896 -0.0262 0.0704 -0.0218 93 ASN B CA 3153 C C . ASN B 12 ? 0.1844 0.1614 0.1811 -0.0099 0.0524 -0.0096 93 ASN B C 3154 O O . ASN B 12 ? 0.2251 0.1811 0.1908 0.0267 0.0540 0.0046 93 ASN B O 3155 C CB . ASN B 12 ? 0.1826 0.1959 0.2048 -0.0216 0.0826 -0.0238 93 ASN B CB 3156 C CG . ASN B 12 ? 0.2247 0.2327 0.2398 -0.0248 0.0750 -0.0221 93 ASN B CG 3157 O OD1 . ASN B 12 ? 0.2382 0.2509 0.2196 -0.0426 0.0901 -0.0086 93 ASN B OD1 3158 N ND2 . ASN B 12 ? 0.2398 0.2646 0.2438 -0.0104 0.1052 -0.0246 93 ASN B ND2 3159 N N . VAL B 13 ? 0.1548 0.1493 0.1384 -0.0286 0.0525 -0.0076 94 VAL B N 3160 C CA . VAL B 13 ? 0.1504 0.1607 0.1506 -0.0352 0.0368 -0.0045 94 VAL B CA 3161 C C . VAL B 13 ? 0.1551 0.1569 0.1708 -0.0395 0.0440 -0.0161 94 VAL B C 3162 O O . VAL B 13 ? 0.1794 0.1623 0.1857 -0.0381 0.0466 -0.0397 94 VAL B O 3163 C CB . VAL B 13 ? 0.1286 0.1522 0.1012 -0.0149 0.0170 0.0132 94 VAL B CB 3164 C CG1 . VAL B 13 ? 0.1252 0.1761 0.1372 -0.0133 0.0272 0.0094 94 VAL B CG1 3165 C CG2 . VAL B 13 ? 0.1426 0.1539 0.1184 -0.0116 0.0142 0.0059 94 VAL B CG2 3166 N N . SER B 14 ? 0.1621 0.1620 0.1812 -0.0376 0.0482 -0.0210 95 SER B N 3167 C CA . SER B 14 ? 0.1733 0.1709 0.1968 -0.0545 0.0617 -0.0231 95 SER B CA 3168 C C . SER B 14 ? 0.1551 0.1577 0.2071 -0.0465 0.0548 -0.0210 95 SER B C 3169 O O . SER B 14 ? 0.1647 0.1663 0.2062 -0.0438 0.0348 -0.0358 95 SER B O 3170 C CB . SER B 14 ? 0.1938 0.2215 0.2100 -0.0637 0.0969 -0.0012 95 SER B CB 3171 O OG . SER B 14 ? 0.2265 0.2551 0.2774 -0.0462 0.0922 -0.0110 95 SER B OG 3172 N N . GLY B 15 ? 0.1534 0.1586 0.1940 -0.0179 0.0628 -0.0154 96 GLY B N 3173 C CA . GLY B 15 ? 0.1542 0.1409 0.1593 -0.0187 0.0749 -0.0014 96 GLY B CA 3174 C C . GLY B 15 ? 0.1549 0.1317 0.1764 -0.0099 0.0599 0.0189 96 GLY B C 3175 O O . GLY B 15 ? 0.1527 0.1360 0.1614 -0.0168 0.0417 0.0021 96 GLY B O 3176 N N . PHE B 16 ? 0.1450 0.1271 0.1621 0.0155 0.0772 0.0131 97 PHE B N 3177 C CA . PHE B 16 ? 0.1550 0.1197 0.1480 0.0207 0.0821 0.0230 97 PHE B CA 3178 C C . PHE B 16 ? 0.1542 0.1296 0.1582 0.0199 0.0498 0.0119 97 PHE B C 3179 O O . PHE B 16 ? 0.1580 0.1641 0.1464 0.0203 0.0503 -0.0311 97 PHE B O 3180 C CB . PHE B 16 ? 0.1787 0.1167 0.1706 0.0520 0.0715 0.0106 97 PHE B CB 3181 C CG . PHE B 16 ? 0.1986 0.1339 0.2093 0.0477 0.0892 0.0450 97 PHE B CG 3182 C CD1 . PHE B 16 ? 0.2196 0.1398 0.1821 0.0464 0.0745 0.0713 97 PHE B CD1 3183 C CD2 . PHE B 16 ? 0.2047 0.1468 0.2654 0.0388 0.1100 0.0469 97 PHE B CD2 3184 C CE1 . PHE B 16 ? 0.2235 0.1624 0.1595 0.0540 0.0737 0.0658 97 PHE B CE1 3185 C CE2 . PHE B 16 ? 0.2176 0.1708 0.2782 0.0264 0.1143 0.0381 97 PHE B CE2 3186 C CZ . PHE B 16 ? 0.2282 0.1803 0.2150 0.0357 0.1013 0.0370 97 PHE B CZ 3187 N N . ALA B 17 ? 0.1489 0.1138 0.1706 -0.0006 0.0437 0.0193 98 ALA B N 3188 C CA . ALA B 17 ? 0.1359 0.0760 0.1458 -0.0034 0.0350 0.0450 98 ALA B CA 3189 C C . ALA B 17 ? 0.1314 0.0793 0.1109 -0.0117 0.0412 0.0163 98 ALA B C 3190 O O . ALA B 17 ? 0.1602 0.0819 0.1611 -0.0015 0.0149 0.0287 98 ALA B O 3191 C CB . ALA B 17 ? 0.1615 0.0742 0.1542 0.0137 -0.0025 0.0494 98 ALA B CB 3192 N N . ILE B 18 ? 0.1269 0.0972 0.0895 -0.0183 0.0335 -0.0060 99 ILE B N 3193 C CA . ILE B 18 ? 0.1182 0.0841 0.0986 -0.0006 0.0147 0.0245 99 ILE B CA 3194 C C . ILE B 18 ? 0.1089 0.1003 0.1017 -0.0003 -0.0012 0.0201 99 ILE B C 3195 O O . ILE B 18 ? 0.1131 0.1086 0.1166 0.0045 0.0035 0.0260 99 ILE B O 3196 C CB . ILE B 18 ? 0.1274 0.0742 0.0875 0.0022 0.0369 0.0339 99 ILE B CB 3197 C CG1 . ILE B 18 ? 0.1171 0.1079 0.0548 0.0018 0.0288 0.0337 99 ILE B CG1 3198 C CG2 . ILE B 18 ? 0.1415 0.0658 0.1179 0.0210 0.0105 0.0168 99 ILE B CG2 3199 C CD1 . ILE B 18 ? 0.1171 0.1355 0.0700 0.0026 0.0095 0.0205 99 ILE B CD1 3200 N N . VAL B 19 ? 0.0896 0.1326 0.0979 -0.0165 -0.0156 -0.0119 100 VAL B N 3201 C CA . VAL B 19 ? 0.0995 0.1607 0.1144 -0.0045 -0.0135 -0.0017 100 VAL B CA 3202 C C . VAL B 19 ? 0.1072 0.1362 0.1112 -0.0037 -0.0011 0.0052 100 VAL B C 3203 O O . VAL B 19 ? 0.1246 0.1491 0.1314 0.0142 0.0310 0.0557 100 VAL B O 3204 C CB . VAL B 19 ? 0.1059 0.2318 0.1305 0.0008 -0.0197 -0.0153 100 VAL B CB 3205 C CG1 . VAL B 19 ? 0.1141 0.2537 0.1985 -0.0090 -0.0093 -0.0171 100 VAL B CG1 3206 C CG2 . VAL B 19 ? 0.1405 0.2663 0.1693 0.0157 -0.0180 -0.0413 100 VAL B CG2 3207 N N . SER B 20 ? 0.0940 0.1048 0.0756 -0.0178 0.0271 -0.0068 101 SER B N 3208 C CA . SER B 20 ? 0.1170 0.1072 0.0909 -0.0348 -0.0032 -0.0045 101 SER B CA 3209 C C . SER B 20 ? 0.1081 0.0998 0.0811 -0.0138 0.0142 0.0195 101 SER B C 3210 O O . SER B 20 ? 0.1152 0.0860 0.1351 0.0159 0.0113 -0.0065 101 SER B O 3211 C CB . SER B 20 ? 0.1517 0.1211 0.1483 -0.0319 -0.0129 -0.0140 101 SER B CB 3212 O OG . SER B 20 ? 0.1922 0.1596 0.2262 -0.0327 -0.0133 -0.0165 101 SER B OG 3213 N N . LYS B 21 ? 0.1021 0.1134 0.0587 -0.0167 0.0185 0.0265 102 LYS B N 3214 C CA . LYS B 21 ? 0.1049 0.1252 0.0730 -0.0224 0.0031 0.0081 102 LYS B CA 3215 C C . LYS B 21 ? 0.1040 0.1404 0.1099 -0.0185 0.0219 -0.0072 102 LYS B C 3216 O O . LYS B 21 ? 0.1179 0.1598 0.1350 0.0090 0.0071 0.0109 102 LYS B O 3217 C CB . LYS B 21 ? 0.1112 0.1217 0.0884 -0.0051 -0.0118 -0.0009 102 LYS B CB 3218 C CG . LYS B 21 ? 0.1133 0.1225 0.0745 -0.0179 -0.0199 0.0077 102 LYS B CG 3219 C CD . LYS B 21 ? 0.1264 0.1106 0.0912 -0.0228 -0.0198 0.0138 102 LYS B CD 3220 C CE . LYS B 21 ? 0.1081 0.1379 0.0833 -0.0134 0.0129 0.0334 102 LYS B CE 3221 N NZ . LYS B 21 ? 0.1163 0.1467 0.0899 0.0039 0.0011 0.0292 102 LYS B NZ 3222 N N . ASP B 22 ? 0.1015 0.1407 0.0932 -0.0149 0.0289 -0.0100 103 ASP B N 3223 C CA . ASP B 22 ? 0.1263 0.1448 0.1385 -0.0207 0.0261 -0.0080 103 ASP B CA 3224 C C . ASP B 22 ? 0.1266 0.1355 0.0934 -0.0172 -0.0007 0.0098 103 ASP B C 3225 O O . ASP B 22 ? 0.1205 0.1560 0.0937 -0.0071 -0.0038 0.0054 103 ASP B O 3226 C CB . ASP B 22 ? 0.1697 0.1508 0.1835 0.0051 0.0417 -0.0042 103 ASP B CB 3227 C CG . ASP B 22 ? 0.2521 0.1913 0.2738 0.0422 0.0448 0.0019 103 ASP B CG 3228 O OD1 . ASP B 22 ? 0.2923 0.2054 0.3164 0.0874 0.0117 0.0124 103 ASP B OD1 3229 O OD2 . ASP B 22 ? 0.2927 0.2568 0.3421 0.0510 0.0667 0.0326 103 ASP B OD2 3230 N N . ASN B 23 ? 0.1290 0.1063 0.0861 -0.0324 -0.0062 -0.0014 104 ASN B N 3231 C CA . ASN B 23 ? 0.1332 0.0736 0.0785 -0.0301 -0.0155 0.0243 104 ASN B CA 3232 C C . ASN B 23 ? 0.1415 0.0810 0.0965 -0.0189 -0.0198 -0.0225 104 ASN B C 3233 O O . ASN B 23 ? 0.1421 0.0839 0.0754 0.0040 -0.0198 -0.0137 104 ASN B O 3234 C CB . ASN B 23 ? 0.1339 0.0778 0.1103 -0.0378 -0.0125 0.0133 104 ASN B CB 3235 C CG . ASN B 23 ? 0.1584 0.0965 0.1467 -0.0301 -0.0387 0.0171 104 ASN B CG 3236 O OD1 . ASN B 23 ? 0.1619 0.1200 0.1528 -0.0045 -0.0362 -0.0120 104 ASN B OD1 3237 N ND2 . ASN B 23 ? 0.1872 0.0905 0.1837 -0.0511 -0.0662 0.0376 104 ASN B ND2 3238 N N . GLY B 24 ? 0.1623 0.0823 0.1066 -0.0387 -0.0190 0.0006 105 GLY B N 3239 C CA . GLY B 24 ? 0.1370 0.0983 0.0726 -0.0320 -0.0214 0.0172 105 GLY B CA 3240 C C . GLY B 24 ? 0.1262 0.0959 0.0945 -0.0122 -0.0161 -0.0140 105 GLY B C 3241 O O . GLY B 24 ? 0.1135 0.1051 0.1428 -0.0171 -0.0285 -0.0123 105 GLY B O 3242 N N . ILE B 25 ? 0.1304 0.0966 0.0619 0.0021 -0.0198 -0.0219 106 ILE B N 3243 C CA . ILE B 25 ? 0.1133 0.1098 0.0475 0.0287 -0.0263 -0.0143 106 ILE B CA 3244 C C . ILE B 25 ? 0.1249 0.0922 0.0706 0.0174 -0.0118 0.0089 106 ILE B C 3245 O O . ILE B 25 ? 0.1382 0.1108 0.0950 0.0178 0.0009 0.0191 106 ILE B O 3246 C CB . ILE B 25 ? 0.0944 0.1218 0.0609 0.0388 -0.0282 -0.0180 106 ILE B CB 3247 C CG1 . ILE B 25 ? 0.0759 0.1280 0.1183 0.0508 -0.0024 -0.0298 106 ILE B CG1 3248 C CG2 . ILE B 25 ? 0.0965 0.1349 0.0466 0.0306 -0.0220 0.0014 106 ILE B CG2 3249 C CD1 . ILE B 25 ? 0.0732 0.1243 0.1574 0.0406 0.0181 -0.0199 106 ILE B CD1 3250 N N . ARG B 26 ? 0.1192 0.0741 0.0689 0.0251 -0.0227 0.0084 107 ARG B N 3251 C CA . ARG B 26 ? 0.0975 0.0848 0.1063 0.0207 -0.0233 0.0342 107 ARG B CA 3252 C C . ARG B 26 ? 0.0940 0.0921 0.0833 0.0017 -0.0152 0.0168 107 ARG B C 3253 O O . ARG B 26 ? 0.1063 0.1088 0.0829 0.0104 0.0151 0.0196 107 ARG B O 3254 C CB . ARG B 26 ? 0.0929 0.0863 0.0930 -0.0005 -0.0291 0.0388 107 ARG B CB 3255 C CG . ARG B 26 ? 0.0855 0.0894 0.1197 0.0118 -0.0419 0.0300 107 ARG B CG 3256 C CD . ARG B 26 ? 0.0998 0.0827 0.0955 0.0176 -0.0171 0.0414 107 ARG B CD 3257 N NE . ARG B 26 ? 0.1034 0.0663 0.1022 0.0012 0.0032 0.0129 107 ARG B NE 3258 C CZ . ARG B 26 ? 0.0972 0.0958 0.1309 0.0231 -0.0373 0.0270 107 ARG B CZ 3259 N NH1 . ARG B 26 ? 0.1276 0.1108 0.1390 0.0209 -0.0349 0.0445 107 ARG B NH1 3260 N NH2 . ARG B 26 ? 0.0958 0.1063 0.1447 0.0160 -0.0540 0.0214 107 ARG B NH2 3261 N N . ILE B 27 ? 0.0969 0.0945 0.1151 0.0085 -0.0142 -0.0046 108 ILE B N 3262 C CA . ILE B 27 ? 0.1041 0.1080 0.0926 -0.0116 -0.0047 -0.0033 108 ILE B CA 3263 C C . ILE B 27 ? 0.1229 0.1175 0.1078 -0.0010 -0.0029 0.0128 108 ILE B C 3264 O O . ILE B 27 ? 0.1045 0.1309 0.1087 -0.0145 0.0005 0.0205 108 ILE B O 3265 C CB . ILE B 27 ? 0.0907 0.1140 0.0588 -0.0199 -0.0007 0.0147 108 ILE B CB 3266 C CG1 . ILE B 27 ? 0.1122 0.1120 0.0347 0.0012 0.0404 0.0189 108 ILE B CG1 3267 C CG2 . ILE B 27 ? 0.0927 0.1339 0.1222 -0.0314 -0.0170 0.0188 108 ILE B CG2 3268 C CD1 . ILE B 27 ? 0.1162 0.1196 0.0516 0.0055 0.0255 0.0105 108 ILE B CD1 3269 N N . GLY B 28 ? 0.1415 0.1062 0.1002 -0.0092 -0.0350 0.0102 109 GLY B N 3270 C CA . GLY B 28 ? 0.1504 0.1039 0.0656 -0.0039 -0.0108 0.0027 109 GLY B CA 3271 C C . GLY B 28 ? 0.1438 0.1031 0.0755 0.0014 -0.0099 -0.0070 109 GLY B C 3272 O O . GLY B 28 ? 0.1563 0.1292 0.0862 0.0181 -0.0013 -0.0039 109 GLY B O 3273 N N . SER B 29 ? 0.1321 0.1080 0.0824 -0.0188 -0.0103 -0.0193 110 SER B N 3274 C CA . SER B 29 ? 0.1143 0.1195 0.1173 -0.0156 -0.0353 -0.0060 110 SER B CA 3275 C C . SER B 29 ? 0.1094 0.1415 0.1168 -0.0139 0.0025 0.0273 110 SER B C 3276 O O . SER B 29 ? 0.1048 0.1702 0.1118 -0.0072 0.0031 0.0130 110 SER B O 3277 C CB . SER B 29 ? 0.1462 0.1044 0.0965 -0.0161 -0.0249 -0.0077 110 SER B CB 3278 O OG . SER B 29 ? 0.1793 0.1040 0.1127 0.0094 -0.0267 0.0075 110 SER B OG 3279 N N . ARG B 30 ? 0.1077 0.1181 0.1059 -0.0058 -0.0471 0.0120 111 ARG B N 3280 C CA . ARG B 30 ? 0.1113 0.1037 0.1071 0.0138 -0.0318 -0.0189 111 ARG B CA 3281 C C . ARG B 30 ? 0.1177 0.1114 0.0876 -0.0010 0.0080 -0.0228 111 ARG B C 3282 O O . ARG B 30 ? 0.1002 0.1239 0.1170 0.0003 0.0017 -0.0089 111 ARG B O 3283 C CB . ARG B 30 ? 0.1020 0.0802 0.1212 0.0427 -0.0096 -0.0140 111 ARG B CB 3284 C CG . ARG B 30 ? 0.1100 0.0946 0.1237 0.0462 -0.0134 -0.0375 111 ARG B CG 3285 C CD . ARG B 30 ? 0.0999 0.0864 0.1135 0.0319 0.0194 -0.0368 111 ARG B CD 3286 N NE . ARG B 30 ? 0.1225 0.1183 0.1198 0.0215 0.0261 -0.0017 111 ARG B NE 3287 C CZ . ARG B 30 ? 0.1466 0.1342 0.1241 0.0107 0.0163 0.0344 111 ARG B CZ 3288 N NH1 . ARG B 30 ? 0.1625 0.1473 0.1456 0.0194 0.0201 0.0178 111 ARG B NH1 3289 N NH2 . ARG B 30 ? 0.1756 0.1538 0.1598 0.0005 0.0505 0.0173 111 ARG B NH2 3290 N N . GLY B 31 ? 0.1359 0.1150 0.0487 0.0055 -0.0197 -0.0116 112 GLY B N 3291 C CA . GLY B 31 ? 0.1179 0.0880 0.0792 -0.0010 -0.0074 -0.0307 112 GLY B CA 3292 C C . GLY B 31 ? 0.1128 0.0885 0.1083 -0.0080 -0.0259 -0.0272 112 GLY B C 3293 O O . GLY B 31 ? 0.1415 0.1020 0.1300 0.0245 -0.0321 -0.0200 112 GLY B O 3294 N N . HIS B 32 ? 0.0978 0.0758 0.0945 -0.0001 -0.0091 -0.0362 113 HIS B N 3295 C CA . HIS B 32 ? 0.0695 0.0838 0.1013 0.0006 -0.0081 -0.0233 113 HIS B CA 3296 C C . HIS B 32 ? 0.0749 0.0909 0.1042 0.0215 -0.0049 -0.0418 113 HIS B C 3297 O O . HIS B 32 ? 0.0868 0.1454 0.1046 0.0128 -0.0006 -0.0227 113 HIS B O 3298 C CB . HIS B 32 ? 0.0778 0.1051 0.1058 0.0009 -0.0226 -0.0064 113 HIS B CB 3299 C CG . HIS B 32 ? 0.0780 0.1013 0.0919 0.0141 0.0175 0.0029 113 HIS B CG 3300 N ND1 . HIS B 32 ? 0.0937 0.1075 0.0975 0.0261 0.0174 0.0018 113 HIS B ND1 3301 C CD2 . HIS B 32 ? 0.0931 0.1046 0.1073 0.0138 -0.0011 -0.0178 113 HIS B CD2 3302 C CE1 . HIS B 32 ? 0.0987 0.1220 0.0902 0.0092 0.0001 0.0097 113 HIS B CE1 3303 N NE2 . HIS B 32 ? 0.0934 0.1100 0.1104 0.0163 0.0158 0.0214 113 HIS B NE2 3304 N N . VAL B 33 ? 0.0713 0.0718 0.1098 0.0330 0.0101 -0.0146 114 VAL B N 3305 C CA . VAL B 33 ? 0.0777 0.0800 0.1174 0.0305 0.0155 -0.0079 114 VAL B CA 3306 C C . VAL B 33 ? 0.0785 0.0898 0.0801 0.0123 0.0161 -0.0096 114 VAL B C 3307 O O . VAL B 33 ? 0.1000 0.1172 0.0943 -0.0040 0.0049 -0.0109 114 VAL B O 3308 C CB . VAL B 33 ? 0.0743 0.0618 0.1136 0.0470 -0.0007 -0.0331 114 VAL B CB 3309 C CG1 . VAL B 33 ? 0.0950 0.1071 0.1239 0.0263 -0.0005 -0.0226 114 VAL B CG1 3310 C CG2 . VAL B 33 ? 0.0849 0.0722 0.1322 0.0354 0.0014 -0.0235 114 VAL B CG2 3311 N N . PHE B 34 ? 0.0807 0.0770 0.0583 0.0152 -0.0061 0.0064 115 PHE B N 3312 C CA . PHE B 34 ? 0.0911 0.0905 0.0906 0.0177 -0.0322 -0.0109 115 PHE B CA 3313 C C . PHE B 34 ? 0.1040 0.0920 0.0996 0.0177 -0.0219 0.0091 115 PHE B C 3314 O O . PHE B 34 ? 0.1157 0.0880 0.1385 0.0384 -0.0178 0.0121 115 PHE B O 3315 C CB . PHE B 34 ? 0.0689 0.1066 0.1016 0.0238 -0.0257 -0.0090 115 PHE B CB 3316 C CG . PHE B 34 ? 0.0851 0.1010 0.0985 0.0008 -0.0298 -0.0120 115 PHE B CG 3317 C CD1 . PHE B 34 ? 0.0926 0.0907 0.1318 0.0095 0.0014 -0.0285 115 PHE B CD1 3318 C CD2 . PHE B 34 ? 0.0760 0.1086 0.0781 0.0251 -0.0146 -0.0332 115 PHE B CD2 3319 C CE1 . PHE B 34 ? 0.0949 0.1093 0.0988 0.0353 -0.0056 -0.0055 115 PHE B CE1 3320 C CE2 . PHE B 34 ? 0.0923 0.1070 0.0919 0.0297 -0.0024 -0.0325 115 PHE B CE2 3321 C CZ . PHE B 34 ? 0.1066 0.1029 0.0860 0.0430 0.0074 0.0045 115 PHE B CZ 3322 N N . VAL B 35 ? 0.0974 0.1096 0.0584 0.0291 -0.0218 0.0221 116 VAL B N 3323 C CA . VAL B 35 ? 0.0914 0.0992 0.0533 0.0208 0.0004 0.0084 116 VAL B CA 3324 C C . VAL B 35 ? 0.1064 0.1051 0.0956 0.0120 0.0297 0.0104 116 VAL B C 3325 O O . VAL B 35 ? 0.1300 0.1036 0.1172 0.0130 0.0105 -0.0075 116 VAL B O 3326 C CB . VAL B 35 ? 0.0903 0.1096 0.0385 0.0366 -0.0020 -0.0071 116 VAL B CB 3327 C CG1 . VAL B 35 ? 0.0788 0.0989 0.0930 0.0318 -0.0210 0.0055 116 VAL B CG1 3328 C CG2 . VAL B 35 ? 0.1384 0.1184 0.0519 0.0524 0.0130 -0.0166 116 VAL B CG2 3329 N N . ILE B 36 ? 0.0789 0.1061 0.0919 0.0218 0.0420 0.0060 117 ILE B N 3330 C CA . ILE B 36 ? 0.0698 0.1138 0.0953 0.0050 0.0201 0.0221 117 ILE B CA 3331 C C . ILE B 36 ? 0.0737 0.1193 0.1102 0.0028 -0.0027 -0.0034 117 ILE B C 3332 O O . ILE B 36 ? 0.0973 0.1438 0.1127 0.0352 -0.0282 -0.0141 117 ILE B O 3333 C CB . ILE B 36 ? 0.0430 0.1071 0.0933 -0.0111 -0.0051 0.0160 117 ILE B CB 3334 C CG1 . ILE B 36 ? 0.0841 0.1320 0.0695 -0.0155 0.0174 0.0226 117 ILE B CG1 3335 C CG2 . ILE B 36 ? 0.0221 0.0993 0.1168 -0.0055 -0.0153 -0.0067 117 ILE B CG2 3336 C CD1 . ILE B 36 ? 0.1252 0.1495 0.0790 -0.0165 0.0158 0.0139 117 ILE B CD1 3337 N N . ARG B 37 ? 0.0501 0.1029 0.0996 0.0043 -0.0040 0.0004 118 ARG B N 3338 C CA . ARG B 37 ? 0.0654 0.1145 0.0720 0.0215 -0.0151 0.0070 118 ARG B CA 3339 C C . ARG B 37 ? 0.0873 0.1079 0.0695 -0.0018 -0.0021 -0.0171 118 ARG B C 3340 O O . ARG B 37 ? 0.0937 0.1480 0.0806 0.0082 0.0019 -0.0047 118 ARG B O 3341 C CB . ARG B 37 ? 0.0699 0.1282 0.0531 0.0217 -0.0180 -0.0163 118 ARG B CB 3342 C CG . ARG B 37 ? 0.0528 0.1402 0.1040 0.0175 -0.0149 -0.0506 118 ARG B CG 3343 C CD . ARG B 37 ? 0.0596 0.1402 0.0871 0.0223 -0.0143 -0.0458 118 ARG B CD 3344 N NE . ARG B 37 ? 0.0432 0.1405 0.1007 0.0213 0.0157 -0.0421 118 ARG B NE 3345 C CZ . ARG B 37 ? 0.0750 0.1332 0.0819 0.0142 -0.0007 0.0046 118 ARG B CZ 3346 N NH1 . ARG B 37 ? 0.0886 0.1414 0.0940 0.0123 -0.0200 -0.0085 118 ARG B NH1 3347 N NH2 . ARG B 37 ? 0.1056 0.1210 0.0685 0.0008 0.0090 0.0094 118 ARG B NH2 3348 N N . GLU B 38 ? 0.0909 0.1024 0.0638 -0.0148 0.0223 0.0024 119 GLU B N 3349 C CA . GLU B 38 ? 0.1001 0.1022 0.0458 -0.0015 0.0034 0.0140 119 GLU B CA 3350 C C . GLU B 38 ? 0.1048 0.1116 0.0984 -0.0129 -0.0177 -0.0025 119 GLU B C 3351 O O . GLU B 38 ? 0.1058 0.1203 0.1210 0.0000 -0.0099 0.0146 119 GLU B O 3352 C CB . GLU B 38 ? 0.1181 0.1085 0.0898 0.0144 -0.0044 -0.0187 119 GLU B CB 3353 C CG . GLU B 38 ? 0.1388 0.1027 0.1197 0.0237 -0.0143 0.0001 119 GLU B CG 3354 C CD . GLU B 38 ? 0.1274 0.1085 0.1527 0.0138 -0.0224 -0.0235 119 GLU B CD 3355 O OE1 . GLU B 38 ? 0.1205 0.1125 0.1059 -0.0050 -0.0026 -0.0111 119 GLU B OE1 3356 O OE2 . GLU B 38 ? 0.1120 0.1002 0.1183 0.0311 -0.0308 0.0034 119 GLU B OE2 3357 N N . PRO B 39 ? 0.1098 0.1172 0.0805 -0.0160 -0.0247 0.0082 120 PRO B N 3358 C CA . PRO B 39 ? 0.1040 0.1092 0.1040 0.0065 0.0045 0.0050 120 PRO B CA 3359 C C . PRO B 39 ? 0.1066 0.1125 0.1190 0.0093 -0.0220 0.0149 120 PRO B C 3360 O O . PRO B 39 ? 0.0964 0.1200 0.1602 0.0200 -0.0195 0.0229 120 PRO B O 3361 C CB . PRO B 39 ? 0.1062 0.1020 0.1303 -0.0151 -0.0282 -0.0116 120 PRO B CB 3362 C CG . PRO B 39 ? 0.1234 0.0988 0.1432 -0.0193 -0.0443 0.0105 120 PRO B CG 3363 C CD . PRO B 39 ? 0.1382 0.1058 0.1087 -0.0255 -0.0164 0.0079 120 PRO B CD 3364 N N . PHE B 40 ? 0.0967 0.1035 0.0767 -0.0173 -0.0248 -0.0196 121 PHE B N 3365 C CA . PHE B 40 ? 0.1000 0.0858 0.0500 0.0005 -0.0056 -0.0181 121 PHE B CA 3366 C C . PHE B 40 ? 0.1116 0.1275 0.0971 0.0029 -0.0175 -0.0008 121 PHE B C 3367 O O . PHE B 40 ? 0.1186 0.1730 0.1336 0.0251 -0.0033 0.0481 121 PHE B O 3368 C CB . PHE B 40 ? 0.0986 0.0754 0.1103 -0.0139 -0.0033 -0.0290 121 PHE B CB 3369 C CG . PHE B 40 ? 0.0788 0.0937 0.1345 -0.0054 -0.0328 -0.0372 121 PHE B CG 3370 C CD1 . PHE B 40 ? 0.0559 0.0922 0.1515 -0.0151 -0.0224 -0.0516 121 PHE B CD1 3371 C CD2 . PHE B 40 ? 0.0637 0.0937 0.1679 0.0050 -0.0126 -0.0450 121 PHE B CD2 3372 C CE1 . PHE B 40 ? 0.0614 0.0948 0.1287 0.0150 -0.0011 -0.0242 121 PHE B CE1 3373 C CE2 . PHE B 40 ? 0.0626 0.1163 0.1515 0.0136 -0.0371 -0.0336 121 PHE B CE2 3374 C CZ . PHE B 40 ? 0.0537 0.1070 0.1154 0.0041 -0.0128 -0.0235 121 PHE B CZ 3375 N N . VAL B 41 ? 0.0972 0.1068 0.0689 0.0102 -0.0063 0.0204 122 VAL B N 3376 C CA . VAL B 41 ? 0.1162 0.1173 0.0860 0.0014 -0.0199 0.0245 122 VAL B CA 3377 C C . VAL B 41 ? 0.1098 0.1220 0.0839 0.0151 -0.0279 0.0093 122 VAL B C 3378 O O . VAL B 41 ? 0.0894 0.1306 0.1226 0.0133 -0.0144 0.0130 122 VAL B O 3379 C CB . VAL B 41 ? 0.1400 0.1147 0.1295 0.0091 -0.0328 0.0267 122 VAL B CB 3380 C CG1 . VAL B 41 ? 0.1441 0.1227 0.1485 0.0104 -0.0345 0.0550 122 VAL B CG1 3381 C CG2 . VAL B 41 ? 0.1400 0.1227 0.1063 -0.0081 -0.0321 0.0057 122 VAL B CG2 3382 N N . ALA B 42 ? 0.1051 0.1320 0.0666 0.0088 -0.0527 0.0000 123 ALA B N 3383 C CA . ALA B 42 ? 0.1433 0.1368 0.0940 0.0234 -0.0260 -0.0064 123 ALA B CA 3384 C C . ALA B 42 ? 0.1692 0.1428 0.0631 0.0195 -0.0221 0.0035 123 ALA B C 3385 O O . ALA B 42 ? 0.1584 0.1361 0.0954 0.0035 -0.0371 -0.0202 123 ALA B O 3386 C CB . ALA B 42 ? 0.1396 0.1288 0.1356 0.0043 -0.0328 -0.0182 123 ALA B CB 3387 N N . CYS B 43 ? 0.2192 0.1724 0.0692 0.0124 -0.0315 0.0139 124 CYS B N 3388 C CA . CYS B 43 ? 0.2463 0.1835 0.0982 0.0153 -0.0317 -0.0047 124 CYS B CA 3389 C C . CYS B 43 ? 0.2814 0.1967 0.1321 0.0156 -0.0373 0.0128 124 CYS B C 3390 O O . CYS B 43 ? 0.3065 0.2105 0.1515 0.0334 -0.0285 0.0038 124 CYS B O 3391 C CB . CYS B 43 ? 0.2590 0.2096 0.1304 0.0096 -0.0249 -0.0142 124 CYS B CB 3392 S SG . CYS B 43 ? 0.2660 0.2366 0.2388 0.0104 -0.0477 0.0005 124 CYS B SG 3393 N N . GLY B 44 ? 0.2856 0.2122 0.1612 0.0151 -0.0455 0.0247 125 GLY B N 3394 C CA . GLY B 44 ? 0.2800 0.2158 0.1495 0.0157 -0.0565 0.0309 125 GLY B CA 3395 C C . GLY B 44 ? 0.2839 0.2315 0.1646 0.0189 -0.0676 0.0365 125 GLY B C 3396 O O . GLY B 44 ? 0.2560 0.2330 0.1723 0.0181 -0.0772 0.0499 125 GLY B O 3397 N N . PRO B 45 ? 0.3137 0.2457 0.1681 0.0303 -0.0912 0.0336 126 PRO B N 3398 C CA . PRO B 45 ? 0.3521 0.2589 0.2322 0.0399 -0.0818 0.0263 126 PRO B CA 3399 C C . PRO B 45 ? 0.3847 0.2789 0.2787 0.0427 -0.0741 0.0359 126 PRO B C 3400 O O . PRO B 45 ? 0.4083 0.2824 0.3084 0.0286 -0.0404 0.0635 126 PRO B O 3401 C CB . PRO B 45 ? 0.3470 0.2579 0.1897 0.0285 -0.1165 0.0088 126 PRO B CB 3402 C CG . PRO B 45 ? 0.3592 0.2641 0.2048 0.0287 -0.1201 0.0242 126 PRO B CG 3403 C CD . PRO B 45 ? 0.3359 0.2470 0.1618 0.0235 -0.1224 0.0161 126 PRO B CD 3404 N N . THR B 46 ? 0.3768 0.2936 0.2276 0.0709 -0.0903 0.0263 127 THR B N 3405 C CA . THR B 46 ? 0.3846 0.3263 0.2802 0.0899 -0.0897 0.0196 127 THR B CA 3406 C C . THR B 46 ? 0.3800 0.3027 0.2633 0.1082 -0.0762 0.0275 127 THR B C 3407 O O . THR B 46 ? 0.4236 0.2969 0.2860 0.1276 -0.0797 0.0255 127 THR B O 3408 C CB . THR B 46 ? 0.3930 0.3842 0.3475 0.0811 -0.1155 0.0114 127 THR B CB 3409 O OG1 . THR B 46 ? 0.3911 0.4177 0.4043 0.0733 -0.1240 0.0062 127 THR B OG1 3410 C CG2 . THR B 46 ? 0.4082 0.4034 0.3744 0.0891 -0.1097 -0.0025 127 THR B CG2 3411 N N . GLU B 47 ? 0.3253 0.2837 0.2406 0.0979 -0.0609 0.0419 128 GLU B N 3412 C CA . GLU B 47 ? 0.2828 0.2901 0.2413 0.0731 -0.0476 0.0687 128 GLU B CA 3413 C C . GLU B 47 ? 0.2476 0.2454 0.1885 0.0433 -0.0342 0.0632 128 GLU B C 3414 O O . GLU B 47 ? 0.2498 0.2492 0.2146 0.0231 -0.0438 0.0387 128 GLU B O 3415 C CB . GLU B 47 ? 0.2932 0.3453 0.3401 0.0777 -0.0402 0.0512 128 GLU B CB 3416 C CG . GLU B 47 ? 0.3079 0.3834 0.4327 0.0598 -0.0209 0.0455 128 GLU B CG 3417 C CD . GLU B 47 ? 0.3027 0.4022 0.4781 0.0694 -0.0363 0.0325 128 GLU B CD 3418 O OE1 . GLU B 47 ? 0.3247 0.4396 0.5290 0.0575 -0.0042 0.0215 128 GLU B OE1 3419 O OE2 . GLU B 47 ? 0.2745 0.3684 0.4549 0.0595 -0.0738 0.0618 128 GLU B OE2 3420 N N . CYS B 48 ? 0.2186 0.2000 0.1606 0.0154 -0.0067 0.0643 129 CYS B N 3421 C CA . CYS B 48 ? 0.2006 0.1793 0.1244 -0.0038 0.0058 0.0605 129 CYS B CA 3422 C C . CYS B 48 ? 0.1698 0.1449 0.1141 0.0247 0.0212 0.0434 129 CYS B C 3423 O O . CYS B 48 ? 0.1899 0.1533 0.1349 0.0289 -0.0087 0.0394 129 CYS B O 3424 C CB . CYS B 48 ? 0.2206 0.1964 0.1615 -0.0280 0.0532 0.0470 129 CYS B CB 3425 S SG . CYS B 48 ? 0.2548 0.2248 0.2277 -0.0108 0.0174 0.0345 129 CYS B SG 3426 N N . ARG B 49 ? 0.1337 0.1258 0.0940 0.0065 -0.0057 0.0319 130 ARG B N 3427 C CA . ARG B 49 ? 0.1245 0.1106 0.0869 0.0010 -0.0237 0.0143 130 ARG B CA 3428 C C . ARG B 49 ? 0.1322 0.1093 0.1120 0.0028 -0.0204 0.0116 130 ARG B C 3429 O O . ARG B 49 ? 0.1324 0.1152 0.1450 0.0037 -0.0184 0.0008 130 ARG B O 3430 C CB . ARG B 49 ? 0.1456 0.1019 0.1056 0.0073 -0.0518 0.0068 130 ARG B CB 3431 C CG . ARG B 49 ? 0.1676 0.1356 0.1299 0.0067 -0.0356 0.0374 130 ARG B CG 3432 C CD . ARG B 49 ? 0.1622 0.1484 0.1176 -0.0136 -0.0120 0.0022 130 ARG B CD 3433 N NE . ARG B 49 ? 0.1597 0.1515 0.1180 -0.0121 -0.0076 0.0096 130 ARG B NE 3434 C CZ . ARG B 49 ? 0.1635 0.1299 0.1083 0.0002 -0.0127 0.0558 130 ARG B CZ 3435 N NH1 . ARG B 49 ? 0.1567 0.1220 0.1180 -0.0065 -0.0386 0.0695 130 ARG B NH1 3436 N NH2 . ARG B 49 ? 0.1634 0.1216 0.1056 -0.0023 -0.0036 0.0235 130 ARG B NH2 3437 N N . THR B 50 ? 0.1460 0.1092 0.0885 0.0065 -0.0390 0.0121 131 THR B N 3438 C CA . THR B 50 ? 0.1513 0.0992 0.1104 0.0207 -0.0444 0.0132 131 THR B CA 3439 C C . THR B 50 ? 0.1113 0.1035 0.1249 0.0149 -0.0107 0.0053 131 THR B C 3440 O O . THR B 50 ? 0.0957 0.1014 0.1911 0.0167 -0.0038 0.0012 131 THR B O 3441 C CB . THR B 50 ? 0.1934 0.1269 0.1204 -0.0128 -0.0588 0.0077 131 THR B CB 3442 O OG1 . THR B 50 ? 0.2117 0.1386 0.2131 -0.0369 -0.0375 0.0300 131 THR B OG1 3443 C CG2 . THR B 50 ? 0.1995 0.1364 0.1425 0.0034 -0.0646 -0.0005 131 THR B CG2 3444 N N . PHE B 51 ? 0.1228 0.0946 0.1025 0.0108 -0.0160 0.0099 132 PHE B N 3445 C CA . PHE B 51 ? 0.1186 0.1002 0.0686 0.0249 0.0038 -0.0072 132 PHE B CA 3446 C C . PHE B 51 ? 0.0955 0.1177 0.0443 0.0150 0.0226 0.0226 132 PHE B C 3447 O O . PHE B 51 ? 0.1253 0.1401 0.0694 0.0064 -0.0073 0.0310 132 PHE B O 3448 C CB . PHE B 51 ? 0.1247 0.0969 0.0686 0.0427 -0.0271 -0.0424 132 PHE B CB 3449 C CG . PHE B 51 ? 0.1357 0.1155 0.0398 0.0177 -0.0328 -0.0148 132 PHE B CG 3450 C CD1 . PHE B 51 ? 0.1434 0.1349 0.0271 0.0242 -0.0140 -0.0181 132 PHE B CD1 3451 C CD2 . PHE B 51 ? 0.1314 0.1253 0.0824 0.0258 -0.0139 -0.0323 132 PHE B CD2 3452 C CE1 . PHE B 51 ? 0.1480 0.1261 0.0587 0.0383 -0.0076 -0.0252 132 PHE B CE1 3453 C CE2 . PHE B 51 ? 0.1383 0.1257 0.0660 0.0301 -0.0017 0.0037 132 PHE B CE2 3454 C CZ . PHE B 51 ? 0.1513 0.1388 0.1023 0.0423 -0.0119 0.0252 132 PHE B CZ 3455 N N . PHE B 52 ? 0.0815 0.0996 0.0512 0.0146 0.0065 0.0451 133 PHE B N 3456 C CA . PHE B 52 ? 0.1076 0.0864 0.0492 -0.0019 0.0055 0.0298 133 PHE B CA 3457 C C . PHE B 52 ? 0.1151 0.0842 0.1010 -0.0039 -0.0032 0.0259 133 PHE B C 3458 O O . PHE B 52 ? 0.1064 0.0855 0.0794 -0.0019 -0.0236 0.0095 133 PHE B O 3459 C CB . PHE B 52 ? 0.1217 0.1087 0.0738 -0.0026 0.0083 0.0080 133 PHE B CB 3460 C CG . PHE B 52 ? 0.1098 0.0999 0.0291 -0.0081 -0.0047 0.0007 133 PHE B CG 3461 C CD1 . PHE B 52 ? 0.1220 0.1265 0.0328 0.0102 -0.0038 0.0122 133 PHE B CD1 3462 C CD2 . PHE B 52 ? 0.1367 0.1139 0.0586 0.0067 -0.0032 0.0011 133 PHE B CD2 3463 C CE1 . PHE B 52 ? 0.1143 0.1277 0.0805 -0.0145 -0.0120 -0.0030 133 PHE B CE1 3464 C CE2 . PHE B 52 ? 0.1351 0.1193 0.0968 -0.0055 -0.0469 0.0191 133 PHE B CE2 3465 C CZ . PHE B 52 ? 0.1370 0.1309 0.0631 -0.0087 0.0071 0.0079 133 PHE B CZ 3466 N N . LEU B 53 ? 0.1108 0.0754 0.1003 0.0090 -0.0028 0.0266 134 LEU B N 3467 C CA . LEU B 53 ? 0.0937 0.0793 0.0908 0.0195 0.0324 0.0065 134 LEU B CA 3468 C C . LEU B 53 ? 0.0875 0.1021 0.0755 0.0134 0.0049 -0.0078 134 LEU B C 3469 O O . LEU B 53 ? 0.0866 0.1203 0.0681 0.0113 -0.0290 0.0108 134 LEU B O 3470 C CB . LEU B 53 ? 0.1030 0.0962 0.0896 0.0339 0.0196 -0.0243 134 LEU B CB 3471 C CG . LEU B 53 ? 0.1180 0.1212 0.1042 0.0215 -0.0004 0.0052 134 LEU B CG 3472 C CD1 . LEU B 53 ? 0.1213 0.1096 0.1375 0.0350 0.0253 0.0080 134 LEU B CD1 3473 C CD2 . LEU B 53 ? 0.1231 0.1520 0.1191 0.0005 0.0035 0.0056 134 LEU B CD2 3474 N N . THR B 54 ? 0.0877 0.1024 0.0786 0.0102 0.0110 -0.0037 135 THR B N 3475 C CA . THR B 54 ? 0.0938 0.0978 0.0448 0.0130 0.0366 0.0154 135 THR B CA 3476 C C . THR B 54 ? 0.0952 0.1016 0.0844 0.0099 0.0111 -0.0054 135 THR B C 3477 O O . THR B 54 ? 0.0841 0.1027 0.0935 0.0181 0.0186 0.0102 135 THR B O 3478 C CB . THR B 54 ? 0.1073 0.0939 0.0895 -0.0197 0.0141 0.0205 135 THR B CB 3479 O OG1 . THR B 54 ? 0.1123 0.0978 0.1522 -0.0194 -0.0111 -0.0077 135 THR B OG1 3480 C CG2 . THR B 54 ? 0.1181 0.1165 0.0782 -0.0072 0.0302 0.0297 135 THR B CG2 3481 N N . GLN B 55 ? 0.1161 0.1183 0.0811 0.0032 0.0065 0.0009 136 GLN B N 3482 C CA . GLN B 55 ? 0.1036 0.1162 0.0564 0.0112 -0.0295 0.0093 136 GLN B CA 3483 C C . GLN B 55 ? 0.1073 0.1184 0.0979 0.0013 -0.0092 0.0254 136 GLN B C 3484 O O . GLN B 55 ? 0.1207 0.1506 0.1044 -0.0125 0.0030 0.0408 136 GLN B O 3485 C CB . GLN B 55 ? 0.1065 0.1401 0.1010 0.0320 -0.0381 0.0036 136 GLN B CB 3486 C CG . GLN B 55 ? 0.0942 0.1534 0.1167 0.0463 -0.0063 -0.0227 136 GLN B CG 3487 C CD . GLN B 55 ? 0.0931 0.1676 0.1153 0.0312 0.0006 0.0026 136 GLN B CD 3488 O OE1 . GLN B 55 ? 0.1245 0.1932 0.1394 0.0011 0.0199 0.0095 136 GLN B OE1 3489 N NE2 . GLN B 55 ? 0.0776 0.1550 0.1044 0.0341 -0.0077 0.0037 136 GLN B NE2 3490 N N . GLY B 56 ? 0.0988 0.0973 0.0919 -0.0013 0.0263 0.0200 137 GLY B N 3491 C CA . GLY B 56 ? 0.1107 0.1102 0.1199 0.0082 0.0137 0.0288 137 GLY B CA 3492 C C . GLY B 56 ? 0.1068 0.1088 0.1367 -0.0093 0.0201 0.0227 137 GLY B C 3493 O O . GLY B 56 ? 0.0858 0.0999 0.1526 -0.0063 0.0087 0.0268 137 GLY B O 3494 N N . ALA B 57 ? 0.1365 0.1035 0.1221 -0.0116 0.0176 0.0202 138 ALA B N 3495 C CA . ALA B 57 ? 0.1475 0.0926 0.1045 0.0046 0.0006 0.0387 138 ALA B CA 3496 C C . ALA B 57 ? 0.1333 0.0974 0.1077 0.0177 -0.0128 0.0275 138 ALA B C 3497 O O . ALA B 57 ? 0.1219 0.1061 0.1241 0.0000 -0.0063 0.0269 138 ALA B O 3498 C CB . ALA B 57 ? 0.1787 0.1081 0.1241 0.0236 -0.0060 0.0241 138 ALA B CB 3499 N N . LEU B 58 ? 0.1028 0.0908 0.1169 0.0236 -0.0024 -0.0019 139 LEU B N 3500 C CA . LEU B 58 ? 0.0976 0.0931 0.1217 0.0148 -0.0160 0.0187 139 LEU B CA 3501 C C . LEU B 58 ? 0.1009 0.0841 0.1186 -0.0127 -0.0031 0.0001 139 LEU B C 3502 O O . LEU B 58 ? 0.1173 0.0910 0.1188 -0.0085 -0.0078 0.0135 139 LEU B O 3503 C CB . LEU B 58 ? 0.0814 0.1136 0.0893 0.0049 -0.0215 0.0117 139 LEU B CB 3504 C CG . LEU B 58 ? 0.0853 0.1386 0.0674 0.0167 0.0077 0.0363 139 LEU B CG 3505 C CD1 . LEU B 58 ? 0.1106 0.1365 0.1242 0.0356 0.0108 0.0323 139 LEU B CD1 3506 C CD2 . LEU B 58 ? 0.1171 0.1544 0.0692 0.0092 0.0057 0.0351 139 LEU B CD2 3507 N N . LEU B 59 ? 0.0949 0.0834 0.1129 -0.0293 0.0078 -0.0458 140 LEU B N 3508 C CA . LEU B 59 ? 0.1014 0.1254 0.0704 -0.0294 0.0173 -0.0179 140 LEU B CA 3509 C C . LEU B 59 ? 0.1159 0.1258 0.0903 -0.0040 0.0163 -0.0149 140 LEU B C 3510 O O . LEU B 59 ? 0.1342 0.1221 0.0912 -0.0081 0.0047 -0.0066 140 LEU B O 3511 C CB . LEU B 59 ? 0.0873 0.1220 0.0917 -0.0218 0.0404 0.0226 140 LEU B CB 3512 C CG . LEU B 59 ? 0.0712 0.1346 0.1137 0.0027 0.0352 0.0611 140 LEU B CG 3513 C CD1 . LEU B 59 ? 0.0934 0.1382 0.1267 -0.0216 0.0244 0.0864 140 LEU B CD1 3514 C CD2 . LEU B 59 ? 0.0703 0.1503 0.1149 0.0273 -0.0099 0.0238 140 LEU B CD2 3515 N N . ASN B 60 ? 0.1200 0.1169 0.0600 0.0021 0.0130 0.0089 141 ASN B N 3516 C CA . ASN B 60 ? 0.1393 0.1009 0.0728 -0.0109 -0.0012 0.0135 141 ASN B CA 3517 C C . ASN B 60 ? 0.1108 0.1216 0.0928 -0.0029 0.0062 -0.0017 141 ASN B C 3518 O O . ASN B 60 ? 0.1320 0.1587 0.1554 0.0044 0.0111 -0.0041 141 ASN B O 3519 C CB . ASN B 60 ? 0.1705 0.1017 0.0823 -0.0083 -0.0300 0.0041 141 ASN B CB 3520 C CG . ASN B 60 ? 0.2102 0.1090 0.1019 -0.0007 -0.0333 0.0359 141 ASN B CG 3521 O OD1 . ASN B 60 ? 0.2218 0.1280 0.1207 0.0001 -0.0431 0.0216 141 ASN B OD1 3522 N ND2 . ASN B 60 ? 0.2303 0.1184 0.1430 -0.0147 -0.0370 0.0218 141 ASN B ND2 3523 N N . ASP B 61 ? 0.1068 0.1047 0.1183 -0.0193 0.0108 0.0194 142 ASP B N 3524 C CA . ASP B 61 ? 0.1060 0.1102 0.1169 -0.0234 0.0075 0.0217 142 ASP B CA 3525 C C . ASP B 61 ? 0.1232 0.1205 0.1098 -0.0191 0.0012 0.0386 142 ASP B C 3526 O O . ASP B 61 ? 0.1224 0.1203 0.1093 0.0034 -0.0206 0.0202 142 ASP B O 3527 C CB . ASP B 61 ? 0.1038 0.1222 0.1476 -0.0212 -0.0043 0.0106 142 ASP B CB 3528 C CG . ASP B 61 ? 0.1210 0.1411 0.1492 0.0001 0.0079 0.0232 142 ASP B CG 3529 O OD1 . ASP B 61 ? 0.1353 0.1547 0.1531 0.0077 0.0087 0.0050 142 ASP B OD1 3530 O OD2 . ASP B 61 ? 0.1314 0.1597 0.1237 -0.0100 -0.0032 0.0137 142 ASP B OD2 3531 N N . LYS B 62 ? 0.1323 0.1094 0.1192 -0.0163 -0.0076 0.0474 143 LYS B N 3532 C CA . LYS B 62 ? 0.1197 0.1369 0.1038 -0.0091 0.0080 0.0292 143 LYS B CA 3533 C C . LYS B 62 ? 0.1218 0.1483 0.0905 0.0031 -0.0091 0.0133 143 LYS B C 3534 O O . LYS B 62 ? 0.1263 0.1784 0.1189 0.0094 -0.0190 0.0175 143 LYS B O 3535 C CB . LYS B 62 ? 0.1054 0.1532 0.1312 -0.0497 0.0280 0.0109 143 LYS B CB 3536 C CG . LYS B 62 ? 0.0746 0.1742 0.1649 -0.0844 0.0477 -0.0007 143 LYS B CG 3537 C CD . LYS B 62 ? 0.0936 0.1862 0.1724 -0.0933 0.0532 -0.0242 143 LYS B CD 3538 C CE . LYS B 62 ? 0.1163 0.1841 0.2020 -0.1008 0.0562 -0.0328 143 LYS B CE 3539 N NZ . LYS B 62 ? 0.1284 0.2099 0.2153 -0.0878 0.0492 -0.0468 143 LYS B NZ 3540 N N . HIS B 63 ? 0.1168 0.1363 0.1019 0.0116 0.0237 0.0066 144 HIS B N 3541 C CA . HIS B 63 ? 0.1077 0.1324 0.0948 -0.0014 0.0048 -0.0183 144 HIS B CA 3542 C C . HIS B 63 ? 0.1200 0.1401 0.1068 0.0064 0.0068 -0.0055 144 HIS B C 3543 O O . HIS B 63 ? 0.1334 0.1529 0.1107 0.0132 -0.0036 -0.0215 144 HIS B O 3544 C CB . HIS B 63 ? 0.1090 0.1475 0.1002 0.0006 0.0106 -0.0284 144 HIS B CB 3545 C CG . HIS B 63 ? 0.1135 0.1414 0.1150 -0.0084 0.0091 -0.0118 144 HIS B CG 3546 N ND1 . HIS B 63 ? 0.1126 0.1471 0.1313 -0.0142 -0.0072 0.0028 144 HIS B ND1 3547 C CD2 . HIS B 63 ? 0.1184 0.1564 0.1184 -0.0028 -0.0015 -0.0124 144 HIS B CD2 3548 C CE1 . HIS B 63 ? 0.1437 0.1458 0.1312 -0.0124 0.0045 -0.0160 144 HIS B CE1 3549 N NE2 . HIS B 63 ? 0.1432 0.1539 0.1418 -0.0043 0.0042 0.0077 144 HIS B NE2 3550 N N . SER B 64 ? 0.1118 0.1225 0.0924 -0.0111 -0.0081 0.0460 145 SER B N 3551 C CA . SER B 64 ? 0.1192 0.1331 0.0860 0.0025 -0.0073 0.0293 145 SER B CA 3552 C C . SER B 64 ? 0.1214 0.1301 0.0619 0.0142 -0.0097 0.0226 145 SER B C 3553 O O . SER B 64 ? 0.0940 0.1297 0.1114 0.0251 -0.0101 -0.0084 145 SER B O 3554 C CB . SER B 64 ? 0.1390 0.1364 0.0577 0.0049 0.0001 0.0091 145 SER B CB 3555 O OG . SER B 64 ? 0.1583 0.1381 0.0481 -0.0118 -0.0121 0.0083 145 SER B OG 3556 N N . ASN B 65 ? 0.1353 0.1482 0.0518 -0.0021 -0.0237 0.0292 146 ASN B N 3557 C CA . ASN B 65 ? 0.1395 0.1630 0.0578 0.0177 0.0058 0.0460 146 ASN B CA 3558 C C . ASN B 65 ? 0.1435 0.1687 0.1205 0.0055 -0.0038 0.0211 146 ASN B C 3559 O O . ASN B 65 ? 0.1373 0.1684 0.1368 -0.0219 0.0064 -0.0086 146 ASN B O 3560 C CB . ASN B 65 ? 0.1703 0.1923 0.0542 0.0095 -0.0043 0.0767 146 ASN B CB 3561 C CG . ASN B 65 ? 0.2150 0.2110 0.0921 0.0338 -0.0144 0.0475 146 ASN B CG 3562 O OD1 . ASN B 65 ? 0.2171 0.1496 0.0963 0.0439 -0.0194 0.0168 146 ASN B OD1 3563 N ND2 . ASN B 65 ? 0.2523 0.2896 0.0596 0.0348 -0.0073 0.0867 146 ASN B ND2 3564 N N . ASN B 66 ? 0.1230 0.1513 0.1156 0.0136 -0.0031 0.0255 147 ASN B N 3565 C CA . ASN B 66 ? 0.1681 0.1485 0.1139 -0.0059 0.0035 0.0133 147 ASN B CA 3566 C C . ASN B 66 ? 0.1540 0.1510 0.0983 -0.0128 -0.0071 -0.0163 147 ASN B C 3567 O O . ASN B 66 ? 0.1703 0.1656 0.1320 -0.0025 0.0285 -0.0200 147 ASN B O 3568 C CB . ASN B 66 ? 0.2137 0.1393 0.1744 -0.0126 -0.0342 0.0243 147 ASN B CB 3569 C CG . ASN B 66 ? 0.2778 0.1585 0.2536 -0.0388 -0.0103 0.0152 147 ASN B CG 3570 O OD1 . ASN B 66 ? 0.3349 0.2052 0.3232 -0.0485 0.0020 0.0080 147 ASN B OD1 3571 N ND2 . ASN B 66 ? 0.2797 0.1521 0.2705 -0.0188 -0.0197 0.0361 147 ASN B ND2 3572 N N . THR B 67 ? 0.1389 0.1465 0.0770 0.0055 -0.0238 0.0042 148 THR B N 3573 C CA . THR B 67 ? 0.1129 0.1408 0.0877 0.0090 -0.0157 0.0005 148 THR B CA 3574 C C . THR B 67 ? 0.1129 0.1528 0.1184 0.0026 -0.0262 0.0018 148 THR B C 3575 O O . THR B 67 ? 0.1179 0.1466 0.1056 -0.0038 0.0058 0.0003 148 THR B O 3576 C CB . THR B 67 ? 0.1161 0.1335 0.1104 -0.0196 -0.0351 0.0020 148 THR B CB 3577 O OG1 . THR B 67 ? 0.1333 0.1383 0.0918 -0.0462 -0.0122 -0.0025 148 THR B OG1 3578 C CG2 . THR B 67 ? 0.0976 0.1048 0.1378 -0.0322 -0.0279 0.0176 148 THR B CG2 3579 N N . VAL B 68 ? 0.0976 0.1506 0.1153 -0.0185 -0.0353 -0.0148 149 VAL B N 3580 C CA . VAL B 68 ? 0.1155 0.1538 0.1097 -0.0104 -0.0351 -0.0189 149 VAL B CA 3581 C C . VAL B 68 ? 0.1178 0.1495 0.1095 0.0070 -0.0084 -0.0169 149 VAL B C 3582 O O . VAL B 68 ? 0.1474 0.1569 0.1423 0.0128 0.0081 -0.0203 149 VAL B O 3583 C CB . VAL B 68 ? 0.1277 0.1739 0.1329 -0.0042 -0.0247 -0.0135 149 VAL B CB 3584 C CG1 . VAL B 68 ? 0.1542 0.1745 0.1279 -0.0129 -0.0318 -0.0108 149 VAL B CG1 3585 C CG2 . VAL B 68 ? 0.1381 0.1787 0.1346 -0.0172 -0.0275 -0.0206 149 VAL B CG2 3586 N N . LYS B 69 ? 0.1068 0.1241 0.1208 0.0056 -0.0100 0.0015 150 LYS B N 3587 C CA . LYS B 69 ? 0.1207 0.1310 0.0954 0.0076 0.0083 0.0109 150 LYS B CA 3588 C C . LYS B 69 ? 0.1088 0.1381 0.0869 0.0245 0.0278 -0.0061 150 LYS B C 3589 O O . LYS B 69 ? 0.1188 0.1375 0.1305 0.0519 0.0054 -0.0136 150 LYS B O 3590 C CB . LYS B 69 ? 0.1654 0.1418 0.2011 -0.0128 0.0180 0.0122 150 LYS B CB 3591 C CG . LYS B 69 ? 0.2295 0.1812 0.2972 -0.0257 0.0447 0.0285 150 LYS B CG 3592 C CD . LYS B 69 ? 0.2928 0.2155 0.3966 -0.0463 0.0665 0.0549 150 LYS B CD 3593 C CE . LYS B 69 ? 0.3295 0.2508 0.4703 -0.0699 0.0761 0.0663 150 LYS B CE 3594 N NZ . LYS B 69 ? 0.3695 0.2893 0.5318 -0.0514 0.0580 0.0462 150 LYS B NZ 3595 N N . ASP B 70 ? 0.1044 0.1357 0.0955 -0.0091 0.0432 -0.0146 151 ASP B N 3596 C CA . ASP B 70 ? 0.0842 0.1265 0.0980 -0.0023 0.0329 -0.0113 151 ASP B CA 3597 C C . ASP B 70 ? 0.0892 0.1152 0.1212 -0.0022 -0.0068 -0.0166 151 ASP B C 3598 O O . ASP B 70 ? 0.1204 0.1146 0.1270 -0.0021 -0.0227 0.0026 151 ASP B O 3599 C CB . ASP B 70 ? 0.0952 0.1268 0.1303 0.0153 0.0120 0.0116 151 ASP B CB 3600 C CG . ASP B 70 ? 0.1226 0.1507 0.1470 0.0022 -0.0169 0.0220 151 ASP B CG 3601 O OD1 . ASP B 70 ? 0.1445 0.1643 0.1126 -0.0115 0.0097 0.0118 151 ASP B OD1 3602 O OD2 . ASP B 70 ? 0.1436 0.1688 0.2096 0.0241 -0.0262 0.0603 151 ASP B OD2 3603 N N . ARG B 71 ? 0.0907 0.1230 0.1120 -0.0065 -0.0233 0.0074 152 ARG B N 3604 C CA . ARG B 71 ? 0.0808 0.1247 0.1074 -0.0047 -0.0089 0.0179 152 ARG B CA 3605 C C . ARG B 71 ? 0.0848 0.1594 0.0699 0.0042 -0.0219 0.0282 152 ARG B C 3606 O O . ARG B 71 ? 0.1128 0.2047 0.1124 -0.0055 -0.0281 0.0326 152 ARG B O 3607 C CB . ARG B 71 ? 0.0908 0.1074 0.1397 0.0030 0.0132 0.0086 152 ARG B CB 3608 C CG . ARG B 71 ? 0.0869 0.1222 0.1239 0.0102 -0.0009 -0.0217 152 ARG B CG 3609 C CD . ARG B 71 ? 0.0791 0.1241 0.1188 0.0342 -0.0245 0.0202 152 ARG B CD 3610 N NE . ARG B 71 ? 0.0989 0.1422 0.1102 0.0381 -0.0288 0.0285 152 ARG B NE 3611 C CZ . ARG B 71 ? 0.1321 0.1486 0.1276 0.0597 -0.0240 0.0326 152 ARG B CZ 3612 N NH1 . ARG B 71 ? 0.1567 0.1319 0.1077 0.0655 -0.0266 0.0203 152 ARG B NH1 3613 N NH2 . ARG B 71 ? 0.1482 0.1490 0.1223 0.0476 -0.0207 0.0495 152 ARG B NH2 3614 N N . SER B 72 ? 0.0820 0.1530 0.1056 0.0183 0.0008 0.0186 153 SER B N 3615 C CA . SER B 72 ? 0.0889 0.1426 0.0647 0.0237 0.0060 0.0043 153 SER B CA 3616 C C . SER B 72 ? 0.0970 0.1312 0.0672 0.0178 0.0077 -0.0078 153 SER B C 3617 O O . SER B 72 ? 0.1101 0.1510 0.0812 0.0075 0.0262 -0.0078 153 SER B O 3618 C CB . SER B 72 ? 0.1094 0.1446 0.0804 0.0207 0.0026 -0.0014 153 SER B CB 3619 O OG . SER B 72 ? 0.1171 0.1574 0.1194 -0.0056 -0.0056 0.0000 153 SER B OG 3620 N N . PRO B 73 ? 0.1051 0.1319 0.0974 0.0000 0.0069 0.0064 154 PRO B N 3621 C CA . PRO B 73 ? 0.0901 0.1276 0.1181 -0.0105 -0.0205 0.0066 154 PRO B CA 3622 C C . PRO B 73 ? 0.0907 0.1214 0.1249 0.0007 -0.0061 -0.0077 154 PRO B C 3623 O O . PRO B 73 ? 0.1061 0.1187 0.1319 0.0036 -0.0267 -0.0258 154 PRO B O 3624 C CB . PRO B 73 ? 0.1057 0.1225 0.1264 -0.0199 -0.0110 0.0103 154 PRO B CB 3625 C CG . PRO B 73 ? 0.1214 0.1528 0.1402 -0.0281 -0.0184 0.0087 154 PRO B CG 3626 C CD . PRO B 73 ? 0.1161 0.1399 0.1440 -0.0215 0.0036 0.0240 154 PRO B CD 3627 N N . TYR B 74 ? 0.0667 0.1188 0.0828 0.0073 0.0055 0.0032 155 TYR B N 3628 C CA . TYR B 74 ? 0.0951 0.1284 0.0771 0.0074 0.0086 0.0193 155 TYR B CA 3629 C C . TYR B 74 ? 0.0977 0.1392 0.0841 0.0137 0.0062 0.0261 155 TYR B C 3630 O O . TYR B 74 ? 0.1172 0.1488 0.1273 0.0320 -0.0042 0.0220 155 TYR B O 3631 C CB . TYR B 74 ? 0.1058 0.1359 0.0749 0.0041 0.0077 0.0137 155 TYR B CB 3632 C CG . TYR B 74 ? 0.0927 0.1502 0.0478 -0.0029 0.0271 0.0403 155 TYR B CG 3633 C CD1 . TYR B 74 ? 0.0883 0.1614 0.0921 -0.0094 0.0382 0.0386 155 TYR B CD1 3634 C CD2 . TYR B 74 ? 0.0958 0.1789 0.0867 -0.0191 0.0262 0.0333 155 TYR B CD2 3635 C CE1 . TYR B 74 ? 0.0924 0.1641 0.1097 -0.0148 0.0042 0.0388 155 TYR B CE1 3636 C CE2 . TYR B 74 ? 0.1060 0.1838 0.1126 -0.0333 0.0139 0.0480 155 TYR B CE2 3637 C CZ . TYR B 74 ? 0.1168 0.1832 0.1345 -0.0298 -0.0070 0.0592 155 TYR B CZ 3638 O OH . TYR B 74 ? 0.1565 0.2269 0.2033 -0.0562 -0.0317 0.0973 155 TYR B OH 3639 N N . ARG B 75 ? 0.1062 0.1401 0.0614 -0.0026 0.0037 -0.0010 156 ARG B N 3640 C CA . ARG B 75 ? 0.0844 0.1274 0.0849 -0.0138 -0.0255 0.0171 156 ARG B CA 3641 C C . ARG B 75 ? 0.0934 0.1193 0.0815 -0.0078 -0.0221 0.0092 156 ARG B C 3642 O O . ARG B 75 ? 0.1074 0.1088 0.1165 0.0014 -0.0278 -0.0078 156 ARG B O 3643 C CB . ARG B 75 ? 0.0649 0.1103 0.0559 -0.0010 -0.0349 0.0191 156 ARG B CB 3644 C CG . ARG B 75 ? 0.0587 0.0983 0.0640 -0.0156 -0.0385 0.0088 156 ARG B CG 3645 C CD . ARG B 75 ? 0.0640 0.0856 0.0984 -0.0254 -0.0217 -0.0080 156 ARG B CD 3646 N NE . ARG B 75 ? 0.0887 0.0806 0.1022 -0.0224 -0.0130 0.0087 156 ARG B NE 3647 C CZ . ARG B 75 ? 0.1163 0.0951 0.0959 -0.0092 -0.0168 0.0157 156 ARG B CZ 3648 N NH1 . ARG B 75 ? 0.1221 0.1186 0.1094 0.0097 -0.0070 0.0022 156 ARG B NH1 3649 N NH2 . ARG B 75 ? 0.1412 0.0868 0.1074 0.0016 -0.0244 0.0281 156 ARG B NH2 3650 N N . ALA B 76 ? 0.0870 0.1107 0.0483 0.0143 -0.0066 0.0204 157 ALA B N 3651 C CA . ALA B 76 ? 0.0906 0.1237 0.0860 -0.0016 -0.0042 -0.0017 157 ALA B CA 3652 C C . ALA B 76 ? 0.0987 0.1078 0.0540 -0.0242 -0.0042 0.0148 157 ALA B C 3653 O O . ALA B 76 ? 0.1124 0.1158 0.0976 -0.0377 -0.0093 -0.0023 157 ALA B O 3654 C CB . ALA B 76 ? 0.0923 0.1247 0.1217 0.0260 -0.0248 -0.0072 157 ALA B CB 3655 N N . LEU B 77 ? 0.1045 0.1201 0.0411 -0.0115 0.0037 0.0266 158 LEU B N 3656 C CA . LEU B 77 ? 0.1061 0.1202 0.0593 -0.0038 0.0049 0.0139 158 LEU B CA 3657 C C . LEU B 77 ? 0.0985 0.1087 0.0908 0.0227 -0.0161 -0.0163 158 LEU B C 3658 O O . LEU B 77 ? 0.0784 0.0919 0.0982 0.0134 -0.0323 -0.0135 158 LEU B O 3659 C CB . LEU B 77 ? 0.1140 0.1285 0.0345 -0.0059 0.0142 -0.0125 158 LEU B CB 3660 C CG . LEU B 77 ? 0.1204 0.1311 0.0379 -0.0029 -0.0080 -0.0155 158 LEU B CG 3661 C CD1 . LEU B 77 ? 0.1144 0.1300 0.0540 -0.0201 -0.0115 -0.0026 158 LEU B CD1 3662 C CD2 . LEU B 77 ? 0.1425 0.1433 0.0242 0.0087 0.0026 -0.0166 158 LEU B CD2 3663 N N . MET B 78 ? 0.1124 0.1124 0.0699 0.0245 -0.0083 0.0026 159 MET B N 3664 C CA . MET B 78 ? 0.1127 0.1041 0.0612 0.0181 0.0308 0.0168 159 MET B CA 3665 C C . MET B 78 ? 0.1086 0.0902 0.0810 0.0033 0.0135 -0.0027 159 MET B C 3666 O O . MET B 78 ? 0.1123 0.1093 0.1117 0.0156 -0.0011 -0.0012 159 MET B O 3667 C CB . MET B 78 ? 0.1036 0.1253 0.0815 0.0119 0.0367 0.0413 159 MET B CB 3668 C CG . MET B 78 ? 0.1033 0.1327 0.0740 0.0111 0.0279 0.0153 159 MET B CG 3669 S SD . MET B 78 ? 0.1123 0.1919 0.1437 0.0333 0.0194 -0.0053 159 MET B SD 3670 C CE . MET B 78 ? 0.1541 0.2181 0.2180 0.0431 -0.0130 0.0169 159 MET B CE 3671 N N . SER B 79 ? 0.1070 0.0774 0.0979 0.0026 -0.0063 0.0051 160 SER B N 3672 C CA . SER B 79 ? 0.1010 0.0987 0.0908 0.0049 0.0009 0.0050 160 SER B CA 3673 C C . SER B 79 ? 0.1059 0.0973 0.1002 0.0283 -0.0128 -0.0125 160 SER B C 3674 O O . SER B 79 ? 0.0900 0.1099 0.1331 0.0229 -0.0104 0.0056 160 SER B O 3675 C CB . SER B 79 ? 0.1097 0.1247 0.1039 -0.0003 -0.0205 -0.0100 160 SER B CB 3676 O OG . SER B 79 ? 0.1142 0.1234 0.0901 0.0150 -0.0074 0.0100 160 SER B OG 3677 N N . VAL B 80 ? 0.1053 0.0918 0.0801 0.0467 -0.0149 -0.0173 161 VAL B N 3678 C CA . VAL B 80 ? 0.0952 0.0798 0.0743 0.0269 -0.0032 -0.0100 161 VAL B CA 3679 C C . VAL B 80 ? 0.0951 0.0897 0.1139 0.0215 -0.0126 0.0010 161 VAL B C 3680 O O . VAL B 80 ? 0.1158 0.0955 0.1262 0.0096 -0.0081 0.0027 161 VAL B O 3681 C CB . VAL B 80 ? 0.0830 0.1063 0.0651 0.0039 -0.0207 0.0057 161 VAL B CB 3682 C CG1 . VAL B 80 ? 0.0960 0.1197 0.0722 0.0006 0.0201 -0.0033 161 VAL B CG1 3683 C CG2 . VAL B 80 ? 0.0796 0.0954 0.1172 0.0258 -0.0572 0.0272 161 VAL B CG2 3684 N N . PRO B 81 ? 0.0984 0.0915 0.1476 0.0111 -0.0263 0.0224 162 PRO B N 3685 C CA . PRO B 81 ? 0.1182 0.1038 0.1912 0.0000 -0.0443 0.0213 162 PRO B CA 3686 C C . PRO B 81 ? 0.1303 0.1072 0.1979 -0.0110 -0.0237 0.0202 162 PRO B C 3687 O O . PRO B 81 ? 0.1466 0.1146 0.1824 -0.0052 -0.0190 0.0238 162 PRO B O 3688 C CB . PRO B 81 ? 0.1257 0.1110 0.2303 0.0159 -0.0455 0.0277 162 PRO B CB 3689 C CG . PRO B 81 ? 0.1238 0.1020 0.2459 0.0180 -0.0269 0.0418 162 PRO B CG 3690 C CD . PRO B 81 ? 0.0984 0.1034 0.1918 0.0116 -0.0429 0.0251 162 PRO B CD 3691 N N . LEU B 82 ? 0.1530 0.1033 0.1818 -0.0302 -0.0052 0.0240 163 LEU B N 3692 C CA . LEU B 82 ? 0.1527 0.1235 0.1374 -0.0448 0.0044 0.0184 163 LEU B CA 3693 C C . LEU B 82 ? 0.1614 0.1382 0.1625 -0.0237 -0.0135 0.0048 163 LEU B C 3694 O O . LEU B 82 ? 0.1700 0.1379 0.1901 -0.0046 -0.0603 0.0360 163 LEU B O 3695 C CB . LEU B 82 ? 0.1820 0.1629 0.1558 -0.0659 0.0376 0.0187 163 LEU B CB 3696 C CG . LEU B 82 ? 0.2016 0.1925 0.1859 -0.0605 0.0241 0.0294 163 LEU B CG 3697 C CD1 . LEU B 82 ? 0.2208 0.1918 0.2488 -0.0527 0.0007 0.0025 163 LEU B CD1 3698 C CD2 . LEU B 82 ? 0.2092 0.2079 0.2002 -0.0700 0.0438 0.0504 163 LEU B CD2 3699 N N . GLY B 83 ? 0.1556 0.1276 0.1348 -0.0132 0.0255 -0.0379 164 GLY B N 3700 C CA . GLY B 83 ? 0.1439 0.1278 0.1446 -0.0270 0.0403 -0.0360 164 GLY B CA 3701 C C . GLY B 83 ? 0.1442 0.1068 0.1635 -0.0059 0.0122 -0.0100 164 GLY B C 3702 O O . GLY B 83 ? 0.1500 0.1095 0.1679 -0.0249 0.0208 -0.0096 164 GLY B O 3703 N N . SER B 84 A 0.1329 0.0782 0.1817 0.0193 -0.0086 0.0215 164 SER B N 3704 C CA . SER B 84 A 0.1219 0.1059 0.1486 0.0121 -0.0296 0.0059 164 SER B CA 3705 C C . SER B 84 A 0.1353 0.1296 0.1384 0.0000 -0.0186 -0.0050 164 SER B C 3706 O O . SER B 84 A 0.1344 0.1605 0.1357 -0.0002 -0.0291 -0.0192 164 SER B O 3707 C CB . SER B 84 A 0.1101 0.1173 0.1901 0.0261 -0.0552 0.0209 164 SER B CB 3708 O OG . SER B 84 A 0.1300 0.1321 0.2164 0.0022 -0.0433 0.0389 164 SER B OG 3709 N N . SER B 85 ? 0.1397 0.1255 0.1092 -0.0258 -0.0336 0.0175 165 SER B N 3710 C CA . SER B 85 ? 0.1308 0.1173 0.0857 0.0057 -0.0337 0.0130 165 SER B CA 3711 C C . SER B 85 ? 0.1142 0.1163 0.1169 -0.0075 -0.0094 0.0125 165 SER B C 3712 O O . SER B 85 ? 0.1132 0.1121 0.1058 0.0209 0.0004 0.0090 165 SER B O 3713 C CB . SER B 85 ? 0.1251 0.1362 0.1150 0.0148 -0.0663 -0.0062 165 SER B CB 3714 O OG . SER B 85 ? 0.1431 0.1551 0.1434 0.0032 -0.0074 -0.0120 165 SER B OG 3715 N N . PRO B 86 ? 0.1182 0.1002 0.1214 -0.0086 -0.0071 -0.0018 166 PRO B N 3716 C CA . PRO B 86 ? 0.1110 0.1019 0.1151 -0.0055 -0.0077 -0.0016 166 PRO B CA 3717 C C . PRO B 86 ? 0.1171 0.1151 0.1247 -0.0007 -0.0084 0.0088 166 PRO B C 3718 O O . PRO B 86 ? 0.1340 0.1327 0.1017 0.0009 -0.0273 0.0018 166 PRO B O 3719 C CB . PRO B 86 ? 0.1425 0.0885 0.1053 0.0024 -0.0213 -0.0357 166 PRO B CB 3720 C CG . PRO B 86 ? 0.1373 0.0883 0.1198 -0.0197 -0.0070 -0.0150 166 PRO B CG 3721 C CD . PRO B 86 ? 0.1200 0.0810 0.1323 -0.0016 -0.0072 -0.0057 166 PRO B CD 3722 N N . ASN B 87 ? 0.1068 0.1263 0.1065 0.0122 0.0126 0.0127 167 ASN B N 3723 C CA . ASN B 87 ? 0.1028 0.1189 0.1141 0.0177 0.0168 0.0193 167 ASN B CA 3724 C C . ASN B 87 ? 0.1104 0.1135 0.1155 0.0047 0.0134 0.0085 167 ASN B C 3725 O O . ASN B 87 ? 0.1250 0.1006 0.1290 -0.0059 0.0075 -0.0204 167 ASN B O 3726 C CB . ASN B 87 ? 0.1275 0.1184 0.1236 0.0381 -0.0067 0.0197 167 ASN B CB 3727 C CG . ASN B 87 ? 0.1228 0.1144 0.1245 0.0313 0.0068 0.0236 167 ASN B CG 3728 O OD1 . ASN B 87 ? 0.1107 0.1242 0.1528 0.0373 -0.0052 0.0029 167 ASN B OD1 3729 N ND2 . ASN B 87 ? 0.1226 0.0952 0.1364 0.0061 0.0232 0.0180 167 ASN B ND2 3730 N N . ALA B 88 ? 0.0786 0.1231 0.1245 -0.0003 -0.0091 0.0187 168 ALA B N 3731 C CA . ALA B 88 ? 0.0998 0.1316 0.0985 -0.0103 -0.0099 0.0237 168 ALA B CA 3732 C C . ALA B 88 ? 0.1024 0.1364 0.1241 0.0026 -0.0313 -0.0022 168 ALA B C 3733 O O . ALA B 88 ? 0.1380 0.1256 0.1610 -0.0088 -0.0437 -0.0117 168 ALA B O 3734 C CB . ALA B 88 ? 0.1249 0.1508 0.0929 -0.0109 0.0138 0.0183 168 ALA B CB 3735 N N . TYR B 89 ? 0.0957 0.1423 0.0871 0.0241 -0.0009 -0.0069 169 TYR B N 3736 C CA . TYR B 89 ? 0.1009 0.1514 0.0504 0.0143 0.0003 -0.0220 169 TYR B CA 3737 C C . TYR B 89 ? 0.1240 0.1941 0.0795 0.0025 -0.0094 0.0066 169 TYR B C 3738 O O . TYR B 89 ? 0.1141 0.2594 0.1061 -0.0209 -0.0205 0.0072 169 TYR B O 3739 C CB . TYR B 89 ? 0.1060 0.1235 0.0855 -0.0060 0.0262 -0.0197 169 TYR B CB 3740 C CG . TYR B 89 ? 0.1059 0.1170 0.0629 0.0054 -0.0099 -0.0151 169 TYR B CG 3741 C CD1 . TYR B 89 ? 0.0859 0.1264 0.0709 -0.0013 0.0131 -0.0067 169 TYR B CD1 3742 C CD2 . TYR B 89 ? 0.1006 0.1169 0.0516 0.0018 -0.0036 -0.0216 169 TYR B CD2 3743 C CE1 . TYR B 89 ? 0.0980 0.1125 0.0645 0.0101 0.0170 -0.0192 169 TYR B CE1 3744 C CE2 . TYR B 89 ? 0.0922 0.1100 0.0874 0.0013 0.0120 0.0043 169 TYR B CE2 3745 C CZ . TYR B 89 ? 0.0912 0.1212 0.0773 -0.0144 0.0178 -0.0151 169 TYR B CZ 3746 O OH . TYR B 89 ? 0.0900 0.1471 0.1029 -0.0049 -0.0035 -0.0071 169 TYR B OH 3747 N N . GLN B 90 ? 0.1241 0.1597 0.0833 0.0070 0.0003 0.0210 170 GLN B N 3748 C CA . GLN B 90 ? 0.1433 0.1403 0.0972 -0.0186 0.0096 0.0325 170 GLN B CA 3749 C C . GLN B 90 ? 0.1329 0.1462 0.0932 -0.0069 0.0070 0.0137 170 GLN B C 3750 O O . GLN B 90 ? 0.1552 0.1685 0.0944 -0.0045 0.0136 -0.0109 170 GLN B O 3751 C CB . GLN B 90 ? 0.1669 0.1484 0.1063 -0.0336 0.0029 0.0596 170 GLN B CB 3752 C CG . GLN B 90 ? 0.2068 0.1688 0.1385 -0.0433 0.0150 0.0767 170 GLN B CG 3753 C CD . GLN B 90 ? 0.2555 0.1931 0.2015 -0.0645 -0.0176 0.0975 170 GLN B CD 3754 O OE1 . GLN B 90 ? 0.2353 0.1778 0.1958 -0.0574 -0.0391 0.0977 170 GLN B OE1 3755 N NE2 . GLN B 90 ? 0.2924 0.2290 0.2774 -0.1038 -0.0434 0.1077 170 GLN B NE2 3756 N N . ALA B 91 ? 0.1334 0.1230 0.1089 0.0248 0.0117 -0.0039 171 ALA B N 3757 C CA . ALA B 91 ? 0.1278 0.1270 0.0988 0.0391 -0.0019 -0.0220 171 ALA B CA 3758 C C . ALA B 91 ? 0.1089 0.1450 0.1060 0.0065 0.0042 -0.0238 171 ALA B C 3759 O O . ALA B 91 ? 0.1277 0.1777 0.1640 -0.0026 0.0137 -0.0223 171 ALA B O 3760 C CB . ALA B 91 ? 0.1380 0.1140 0.1142 0.0765 -0.0154 0.0236 171 ALA B CB 3761 N N . LYS B 92 ? 0.1228 0.1218 0.0698 0.0081 -0.0033 -0.0194 172 LYS B N 3762 C CA . LYS B 92 ? 0.1189 0.1364 0.0635 0.0107 -0.0152 0.0007 172 LYS B CA 3763 C C . LYS B 92 ? 0.1061 0.1102 0.0936 -0.0009 -0.0026 0.0103 172 LYS B C 3764 O O . LYS B 92 ? 0.0860 0.1095 0.1421 0.0041 -0.0313 0.0040 172 LYS B O 3765 C CB . LYS B 92 ? 0.1451 0.1602 0.0452 0.0144 -0.0050 -0.0079 172 LYS B CB 3766 C CG . LYS B 92 ? 0.2003 0.2009 0.0697 0.0367 0.0067 -0.0147 172 LYS B CG 3767 C CD . LYS B 92 ? 0.2573 0.2580 0.1445 0.0391 0.0030 -0.0168 172 LYS B CD 3768 C CE . LYS B 92 ? 0.3132 0.3242 0.1918 0.0322 0.0098 -0.0288 172 LYS B CE 3769 N NZ . LYS B 92 ? 0.3551 0.3737 0.2762 0.0261 0.0042 -0.0465 172 LYS B NZ 3770 N N . PHE B 93 ? 0.1147 0.0966 0.0953 -0.0128 0.0263 0.0263 173 PHE B N 3771 C CA . PHE B 93 ? 0.1074 0.0905 0.1130 -0.0234 0.0218 0.0219 173 PHE B CA 3772 C C . PHE B 93 ? 0.1219 0.1197 0.1098 0.0071 -0.0042 -0.0017 173 PHE B C 3773 O O . PHE B 93 ? 0.1303 0.1538 0.1304 0.0235 -0.0306 -0.0217 173 PHE B O 3774 C CB . PHE B 93 ? 0.1216 0.0942 0.1510 -0.0390 0.0186 0.0132 173 PHE B CB 3775 C CG . PHE B 93 ? 0.1110 0.0864 0.1516 -0.0320 -0.0189 0.0113 173 PHE B CG 3776 C CD1 . PHE B 93 ? 0.1156 0.1013 0.1537 -0.0331 -0.0203 0.0486 173 PHE B CD1 3777 C CD2 . PHE B 93 ? 0.1037 0.0848 0.1832 -0.0401 0.0101 -0.0151 173 PHE B CD2 3778 C CE1 . PHE B 93 ? 0.1106 0.0980 0.1847 -0.0416 -0.0237 0.0318 173 PHE B CE1 3779 C CE2 . PHE B 93 ? 0.1052 0.0999 0.1967 -0.0280 0.0155 0.0142 173 PHE B CE2 3780 C CZ . PHE B 93 ? 0.1074 0.1000 0.1963 -0.0281 0.0032 0.0094 173 PHE B CZ 3781 N N . GLU B 94 ? 0.1014 0.1111 0.1194 0.0077 0.0158 0.0102 174 GLU B N 3782 C CA . GLU B 94 ? 0.1108 0.0969 0.1212 -0.0121 0.0126 -0.0082 174 GLU B CA 3783 C C . GLU B 94 ? 0.1221 0.1095 0.1213 0.0017 -0.0131 -0.0055 174 GLU B C 3784 O O . GLU B 94 ? 0.1639 0.1151 0.1237 -0.0064 -0.0069 -0.0160 174 GLU B O 3785 C CB . GLU B 94 ? 0.1363 0.0862 0.1477 -0.0232 0.0340 -0.0020 174 GLU B CB 3786 C CG . GLU B 94 ? 0.1713 0.0998 0.1288 -0.0112 0.0253 0.0185 174 GLU B CG 3787 C CD . GLU B 94 ? 0.2085 0.1305 0.1529 -0.0025 -0.0006 -0.0216 174 GLU B CD 3788 O OE1 . GLU B 94 ? 0.2503 0.1591 0.1924 -0.0067 -0.0001 -0.0267 174 GLU B OE1 3789 O OE2 . GLU B 94 ? 0.1974 0.1439 0.1313 0.0197 0.0032 -0.0081 174 GLU B OE2 3790 N N . SER B 95 ? 0.0940 0.1005 0.1225 0.0229 -0.0132 0.0018 175 SER B N 3791 C CA . SER B 95 ? 0.0874 0.0992 0.1120 0.0089 0.0064 -0.0018 175 SER B CA 3792 C C . SER B 95 ? 0.1063 0.1000 0.0780 -0.0077 0.0043 0.0219 175 SER B C 3793 O O . SER B 95 ? 0.1399 0.1070 0.0678 0.0095 -0.0162 -0.0107 175 SER B O 3794 C CB . SER B 95 ? 0.0808 0.0822 0.1336 0.0146 0.0561 -0.0020 175 SER B CB 3795 O OG . SER B 95 ? 0.0853 0.0748 0.1666 0.0050 0.0250 -0.0009 175 SER B OG 3796 N N . VAL B 96 ? 0.0945 0.1133 0.0884 -0.0236 -0.0112 0.0083 176 VAL B N 3797 C CA . VAL B 96 ? 0.0892 0.1149 0.1179 -0.0213 -0.0197 0.0050 176 VAL B CA 3798 C C . VAL B 96 ? 0.0862 0.1075 0.1227 -0.0141 -0.0289 -0.0341 176 VAL B C 3799 O O . VAL B 96 ? 0.0990 0.1475 0.1638 -0.0208 0.0013 -0.0547 176 VAL B O 3800 C CB . VAL B 96 ? 0.0810 0.1364 0.1052 -0.0006 -0.0538 0.0075 176 VAL B CB 3801 C CG1 . VAL B 96 ? 0.0974 0.1332 0.0825 0.0200 -0.0496 0.0000 176 VAL B CG1 3802 C CG2 . VAL B 96 ? 0.0857 0.1507 0.1435 -0.0204 -0.0589 0.0104 176 VAL B CG2 3803 N N . ALA B 97 ? 0.0663 0.0883 0.1157 -0.0155 -0.0391 -0.0053 177 ALA B N 3804 C CA . ALA B 97 ? 0.0947 0.0884 0.1026 -0.0072 -0.0159 0.0084 177 ALA B CA 3805 C C . ALA B 97 ? 0.0987 0.0971 0.0728 0.0080 -0.0207 -0.0017 177 ALA B C 3806 O O . ALA B 97 ? 0.0932 0.1096 0.0608 0.0156 -0.0037 -0.0226 177 ALA B O 3807 C CB . ALA B 97 ? 0.1119 0.0814 0.0958 -0.0107 0.0057 0.0071 177 ALA B CB 3808 N N . TRP B 98 ? 0.0901 0.0945 0.0741 0.0046 -0.0413 0.0186 178 TRP B N 3809 C CA . TRP B 98 ? 0.0970 0.0993 0.0882 0.0096 -0.0209 0.0169 178 TRP B CA 3810 C C . TRP B 98 ? 0.0777 0.0842 0.0883 0.0214 -0.0075 0.0104 178 TRP B C 3811 O O . TRP B 98 ? 0.0681 0.1076 0.1053 0.0019 -0.0307 -0.0181 178 TRP B O 3812 C CB . TRP B 98 ? 0.1088 0.0792 0.0617 -0.0011 -0.0021 0.0079 178 TRP B CB 3813 C CG . TRP B 98 ? 0.1028 0.0883 0.0936 -0.0023 -0.0174 -0.0008 178 TRP B CG 3814 C CD1 . TRP B 98 ? 0.0922 0.0835 0.1002 -0.0134 -0.0145 -0.0165 178 TRP B CD1 3815 C CD2 . TRP B 98 ? 0.0929 0.0955 0.0864 -0.0006 -0.0022 -0.0016 178 TRP B CD2 3816 N NE1 . TRP B 98 ? 0.0815 0.1039 0.0922 0.0052 -0.0002 -0.0133 178 TRP B NE1 3817 C CE2 . TRP B 98 ? 0.0948 0.1044 0.1052 0.0086 -0.0017 -0.0145 178 TRP B CE2 3818 C CE3 . TRP B 98 ? 0.0950 0.0931 0.0962 0.0017 0.0097 0.0031 178 TRP B CE3 3819 C CZ2 . TRP B 98 ? 0.0937 0.0869 0.1016 0.0115 -0.0050 0.0096 178 TRP B CZ2 3820 C CZ3 . TRP B 98 ? 0.1097 0.0706 0.0838 0.0022 -0.0161 0.0068 178 TRP B CZ3 3821 C CH2 . TRP B 98 ? 0.0819 0.0836 0.0802 -0.0072 -0.0279 0.0300 178 TRP B CH2 3822 N N . SER B 99 ? 0.0813 0.0753 0.0787 0.0048 0.0071 0.0117 179 SER B N 3823 C CA . SER B 99 ? 0.0906 0.0823 0.0939 0.0103 0.0022 0.0080 179 SER B CA 3824 C C . SER B 99 ? 0.1187 0.0840 0.0950 -0.0008 -0.0058 0.0197 179 SER B C 3825 O O . SER B 99 ? 0.1090 0.1169 0.1479 0.0003 -0.0066 -0.0005 179 SER B O 3826 C CB . SER B 99 ? 0.0931 0.0908 0.1070 -0.0089 0.0298 0.0208 179 SER B CB 3827 O OG . SER B 99 ? 0.1075 0.1060 0.1198 -0.0126 0.0135 0.0032 179 SER B OG 3828 N N . ALA B 100 ? 0.1236 0.0687 0.0454 0.0385 -0.0013 0.0146 180 ALA B N 3829 C CA . ALA B 100 ? 0.0981 0.1003 0.0601 0.0438 0.0049 0.0085 180 ALA B CA 3830 C C . ALA B 100 ? 0.1042 0.0903 0.0730 0.0388 0.0068 0.0153 180 ALA B C 3831 O O . ALA B 100 ? 0.1103 0.0958 0.0826 0.0263 0.0113 -0.0013 180 ALA B O 3832 C CB . ALA B 100 ? 0.1012 0.1175 0.0915 0.0572 0.0386 -0.0031 180 ALA B CB 3833 N N . THR B 101 ? 0.0997 0.0874 0.0682 0.0214 0.0184 0.0271 181 THR B N 3834 C CA . THR B 101 ? 0.0967 0.1316 0.0792 0.0283 0.0069 -0.0092 181 THR B CA 3835 C C . THR B 101 ? 0.1061 0.1238 0.0986 0.0085 -0.0104 0.0112 181 THR B C 3836 O O . THR B 101 ? 0.1253 0.1265 0.1292 -0.0144 -0.0230 0.0162 181 THR B O 3837 C CB . THR B 101 ? 0.1219 0.1337 0.0945 -0.0043 0.0019 -0.0172 181 THR B CB 3838 O OG1 . THR B 101 ? 0.1304 0.1393 0.1064 0.0021 0.0074 0.0205 181 THR B OG1 3839 C CG2 . THR B 101 ? 0.1152 0.1239 0.1156 0.0089 -0.0327 -0.0319 181 THR B CG2 3840 N N . ALA B 102 ? 0.0877 0.1039 0.0817 0.0133 -0.0292 -0.0021 182 ALA B N 3841 C CA . ALA B 102 ? 0.0874 0.1059 0.0707 0.0096 0.0303 0.0045 182 ALA B CA 3842 C C . ALA B 102 ? 0.1019 0.1118 0.0493 -0.0023 0.0393 0.0079 182 ALA B C 3843 O O . ALA B 102 ? 0.1192 0.1120 0.1082 -0.0144 0.0092 0.0041 182 ALA B O 3844 C CB . ALA B 102 ? 0.0786 0.1224 0.0954 0.0219 0.0504 0.0152 182 ALA B CB 3845 N N . CYS B 103 ? 0.1122 0.1142 0.0550 0.0161 0.0069 0.0209 183 CYS B N 3846 C CA . CYS B 103 ? 0.1300 0.1365 0.0521 0.0083 -0.0053 0.0283 183 CYS B CA 3847 C C . CYS B 103 ? 0.1573 0.1583 0.0987 0.0099 -0.0312 0.0334 183 CYS B C 3848 O O . CYS B 103 ? 0.1951 0.1703 0.1085 0.0162 -0.0235 0.0293 183 CYS B O 3849 C CB . CYS B 103 ? 0.1520 0.1352 0.1147 -0.0067 -0.0083 0.0047 183 CYS B CB 3850 S SG . CYS B 103 ? 0.1945 0.1626 0.1351 -0.0059 -0.0220 0.0017 183 CYS B SG 3851 N N . HIS B 104 ? 0.1364 0.1433 0.0647 0.0048 -0.0263 0.0498 184 HIS B N 3852 C CA . HIS B 104 ? 0.1456 0.1543 0.0772 0.0266 -0.0146 0.0177 184 HIS B CA 3853 C C . HIS B 104 ? 0.1527 0.1567 0.0921 0.0354 0.0120 0.0031 184 HIS B C 3854 O O . HIS B 104 ? 0.1702 0.1713 0.1089 0.0380 0.0041 0.0209 184 HIS B O 3855 C CB . HIS B 104 ? 0.1489 0.1517 0.0966 0.0293 -0.0289 0.0090 184 HIS B CB 3856 C CG . HIS B 104 ? 0.1563 0.1584 0.0945 0.0352 -0.0183 0.0011 184 HIS B CG 3857 N ND1 . HIS B 104 ? 0.1596 0.1628 0.1002 0.0474 -0.0199 0.0084 184 HIS B ND1 3858 C CD2 . HIS B 104 ? 0.1639 0.1622 0.1313 0.0432 -0.0324 0.0008 184 HIS B CD2 3859 C CE1 . HIS B 104 ? 0.1678 0.1739 0.0990 0.0321 -0.0219 -0.0126 184 HIS B CE1 3860 N NE2 . HIS B 104 ? 0.1741 0.1615 0.1063 0.0215 -0.0285 -0.0133 184 HIS B NE2 3861 N N . ASP B 105 ? 0.1471 0.1418 0.0713 0.0349 -0.0056 -0.0163 185 ASP B N 3862 C CA . ASP B 105 ? 0.1500 0.1393 0.0876 0.0292 -0.0036 -0.0284 185 ASP B CA 3863 C C . ASP B 105 ? 0.1565 0.1687 0.0903 0.0264 -0.0270 -0.0272 185 ASP B C 3864 O O . ASP B 105 ? 0.1707 0.1776 0.0920 0.0289 -0.0119 -0.0063 185 ASP B O 3865 C CB . ASP B 105 ? 0.1471 0.1273 0.1322 0.0198 -0.0155 -0.0204 185 ASP B CB 3866 C CG . ASP B 105 ? 0.1571 0.1346 0.1433 -0.0006 -0.0070 -0.0204 185 ASP B CG 3867 O OD1 . ASP B 105 ? 0.1452 0.1598 0.1295 0.0021 0.0091 -0.0126 185 ASP B OD1 3868 O OD2 . ASP B 105 ? 0.1534 0.1325 0.1369 -0.0132 -0.0104 0.0027 185 ASP B OD2 3869 N N . GLY B 106 ? 0.1613 0.1696 0.1078 0.0197 -0.0417 -0.0130 186 GLY B N 3870 C CA . GLY B 106 ? 0.1529 0.1677 0.1089 0.0234 -0.0508 0.0173 186 GLY B CA 3871 C C . GLY B 106 ? 0.1620 0.1805 0.1185 0.0271 -0.0151 0.0237 186 GLY B C 3872 O O . GLY B 106 ? 0.1708 0.1980 0.1229 0.0305 -0.0087 0.0262 186 GLY B O 3873 N N . LYS B 107 ? 0.1688 0.1911 0.1176 0.0243 0.0000 -0.0064 187 LYS B N 3874 C CA . LYS B 107 ? 0.1640 0.1984 0.0759 0.0309 0.0069 -0.0247 187 LYS B CA 3875 C C . LYS B 107 ? 0.1719 0.1948 0.1108 0.0323 0.0085 -0.0133 187 LYS B C 3876 O O . LYS B 107 ? 0.1905 0.1968 0.1497 0.0579 0.0102 -0.0024 187 LYS B O 3877 C CB . LYS B 107 ? 0.1671 0.2229 0.0884 0.0319 -0.0075 -0.0244 187 LYS B CB 3878 C CG . LYS B 107 ? 0.1881 0.2442 0.0764 0.0284 -0.0061 -0.0575 187 LYS B CG 3879 C CD . LYS B 107 ? 0.2147 0.2555 0.0628 0.0206 -0.0144 -0.0739 187 LYS B CD 3880 C CE . LYS B 107 ? 0.2360 0.2749 0.1179 0.0222 0.0071 -0.0974 187 LYS B CE 3881 N NZ . LYS B 107 ? 0.2621 0.3066 0.1404 0.0135 0.0118 -0.0842 187 LYS B NZ 3882 N N . LYS B 108 ? 0.1586 0.1952 0.0814 0.0279 -0.0092 0.0099 188 LYS B N 3883 C CA . LYS B 108 ? 0.1516 0.1898 0.0834 -0.0066 -0.0305 -0.0143 188 LYS B CA 3884 C C . LYS B 108 ? 0.1510 0.1702 0.0856 -0.0020 -0.0260 -0.0093 188 LYS B C 3885 O O . LYS B 108 ? 0.1395 0.1749 0.0948 0.0215 -0.0178 -0.0080 188 LYS B O 3886 C CB . LYS B 108 ? 0.1832 0.2264 0.1244 -0.0204 -0.0242 -0.0320 188 LYS B CB 3887 C CG . LYS B 108 ? 0.2003 0.2734 0.1790 -0.0224 -0.0475 -0.0231 188 LYS B CG 3888 C CD . LYS B 108 ? 0.2279 0.3268 0.2579 -0.0371 -0.0373 -0.0171 188 LYS B CD 3889 C CE . LYS B 108 ? 0.2566 0.3672 0.3236 -0.0551 -0.0638 -0.0121 188 LYS B CE 3890 N NZ . LYS B 108 ? 0.2810 0.4061 0.3821 -0.0481 -0.0571 0.0129 188 LYS B NZ 3891 N N . TRP B 109 ? 0.1598 0.1472 0.0637 -0.0051 -0.0473 -0.0098 189 TRP B N 3892 C CA . TRP B 109 ? 0.1611 0.1268 0.0718 -0.0021 -0.0266 -0.0218 189 TRP B CA 3893 C C . TRP B 109 ? 0.1460 0.1177 0.1206 -0.0055 -0.0178 -0.0080 189 TRP B C 3894 O O . TRP B 109 ? 0.1623 0.1346 0.1439 -0.0103 -0.0360 -0.0121 189 TRP B O 3895 C CB . TRP B 109 ? 0.1674 0.1413 0.0810 -0.0185 -0.0147 -0.0487 189 TRP B CB 3896 C CG . TRP B 109 ? 0.1821 0.1597 0.0940 -0.0209 0.0255 0.0075 189 TRP B CG 3897 C CD1 . TRP B 109 ? 0.1843 0.1702 0.1238 -0.0293 0.0525 -0.0079 189 TRP B CD1 3898 C CD2 . TRP B 109 ? 0.1939 0.1924 0.0752 -0.0317 -0.0035 -0.0085 189 TRP B CD2 3899 N NE1 . TRP B 109 ? 0.1914 0.1773 0.1258 -0.0368 0.0258 -0.0292 189 TRP B NE1 3900 C CE2 . TRP B 109 ? 0.2018 0.2040 0.1021 -0.0412 0.0126 -0.0212 189 TRP B CE2 3901 C CE3 . TRP B 109 ? 0.2076 0.2068 0.0811 -0.0409 -0.0294 -0.0169 189 TRP B CE3 3902 C CZ2 . TRP B 109 ? 0.2134 0.2289 0.0882 -0.0518 -0.0142 -0.0351 189 TRP B CZ2 3903 C CZ3 . TRP B 109 ? 0.2102 0.2314 0.1124 -0.0576 -0.0261 -0.0230 189 TRP B CZ3 3904 C CH2 . TRP B 109 ? 0.2152 0.2335 0.1269 -0.0621 -0.0178 -0.0432 189 TRP B CH2 3905 N N . LEU B 110 ? 0.1327 0.1019 0.1330 0.0266 -0.0082 0.0029 190 LEU B N 3906 C CA . LEU B 110 ? 0.1250 0.1078 0.1153 0.0090 -0.0015 -0.0232 190 LEU B CA 3907 C C . LEU B 110 ? 0.1424 0.1333 0.0867 0.0181 -0.0072 0.0001 190 LEU B C 3908 O O . LEU B 110 ? 0.1618 0.1568 0.1003 0.0117 -0.0177 0.0204 190 LEU B O 3909 C CB . LEU B 110 ? 0.1301 0.0986 0.1713 -0.0049 0.0128 -0.0267 190 LEU B CB 3910 C CG . LEU B 110 ? 0.1387 0.0962 0.2044 0.0142 0.0261 -0.0450 190 LEU B CG 3911 C CD1 . LEU B 110 ? 0.1627 0.0842 0.2077 0.0105 0.0121 -0.0643 190 LEU B CD1 3912 C CD2 . LEU B 110 ? 0.1541 0.1092 0.2414 0.0180 0.0248 -0.0279 190 LEU B CD2 3913 N N . ALA B 111 ? 0.1735 0.1261 0.0554 0.0107 -0.0250 0.0284 191 ALA B N 3914 C CA . ALA B 111 ? 0.1782 0.1320 0.0645 0.0005 -0.0119 -0.0049 191 ALA B CA 3915 C C . ALA B 111 ? 0.1801 0.1264 0.1327 -0.0250 -0.0391 0.0238 191 ALA B C 3916 O O . ALA B 111 ? 0.2016 0.0986 0.2246 -0.0460 -0.0964 0.0405 191 ALA B O 3917 C CB . ALA B 111 ? 0.1814 0.1448 0.0697 -0.0059 0.0128 -0.0179 191 ALA B CB 3918 N N . VAL B 112 ? 0.1509 0.1226 0.0820 -0.0315 -0.0059 0.0281 192 VAL B N 3919 C CA . VAL B 112 ? 0.1401 0.1327 0.0645 -0.0194 0.0115 0.0356 192 VAL B CA 3920 C C . VAL B 112 ? 0.1286 0.1427 0.0815 -0.0223 -0.0051 0.0299 192 VAL B C 3921 O O . VAL B 112 ? 0.1508 0.1552 0.1206 -0.0388 -0.0142 0.0115 192 VAL B O 3922 C CB . VAL B 112 ? 0.1715 0.1257 0.0539 0.0093 0.0275 0.0665 192 VAL B CB 3923 C CG1 . VAL B 112 ? 0.1923 0.1436 0.1010 0.0214 0.0120 0.0546 192 VAL B CG1 3924 C CG2 . VAL B 112 ? 0.1887 0.1500 0.0948 0.0006 0.0201 0.0306 192 VAL B CG2 3925 N N . GLY B 113 ? 0.1165 0.1310 0.0726 0.0017 0.0117 0.0200 193 GLY B N 3926 C CA . GLY B 113 ? 0.1162 0.1182 0.0716 -0.0012 0.0028 0.0491 193 GLY B CA 3927 C C . GLY B 113 ? 0.1178 0.1048 0.1019 0.0121 -0.0063 0.0283 193 GLY B C 3928 O O . GLY B 113 ? 0.1095 0.1306 0.1283 0.0037 -0.0149 0.0138 193 GLY B O 3929 N N . ILE B 114 ? 0.1047 0.0758 0.0996 0.0175 -0.0277 0.0157 194 ILE B N 3930 C CA . ILE B 114 ? 0.1039 0.0843 0.0721 0.0124 0.0115 0.0124 194 ILE B CA 3931 C C . ILE B 114 ? 0.1191 0.0972 0.0996 0.0037 -0.0027 0.0301 194 ILE B C 3932 O O . ILE B 114 ? 0.1376 0.0848 0.0959 0.0011 0.0055 -0.0055 194 ILE B O 3933 C CB . ILE B 114 ? 0.0928 0.0880 0.0800 0.0064 0.0250 0.0339 194 ILE B CB 3934 C CG1 . ILE B 114 ? 0.0851 0.1184 0.1124 -0.0003 0.0004 -0.0057 194 ILE B CG1 3935 C CG2 . ILE B 114 ? 0.1178 0.0825 0.1102 0.0284 0.0054 0.0259 194 ILE B CG2 3936 C CD1 . ILE B 114 ? 0.0597 0.1141 0.1281 -0.0179 0.0063 -0.0176 194 ILE B CD1 3937 N N . SER B 115 ? 0.0952 0.1098 0.1019 -0.0008 0.0223 0.0181 195 SER B N 3938 C CA . SER B 115 ? 0.0895 0.1162 0.1232 0.0024 0.0344 0.0340 195 SER B CA 3939 C C . SER B 115 ? 0.0990 0.1044 0.1118 -0.0034 0.0116 0.0297 195 SER B C 3940 O O . SER B 115 ? 0.1221 0.1154 0.1317 -0.0066 -0.0166 0.0298 195 SER B O 3941 C CB . SER B 115 ? 0.0819 0.1584 0.0717 0.0202 0.0188 0.0401 195 SER B CB 3942 O OG . SER B 115 ? 0.0805 0.1810 0.0864 0.0082 0.0124 0.0309 195 SER B OG 3943 N N . GLY B 116 ? 0.1062 0.0918 0.0948 -0.0182 0.0030 0.0254 196 GLY B N 3944 C CA . GLY B 116 ? 0.1088 0.1069 0.1207 -0.0070 0.0030 0.0343 196 GLY B CA 3945 C C . GLY B 116 ? 0.1163 0.1039 0.1064 0.0027 0.0051 0.0249 196 GLY B C 3946 O O . GLY B 116 ? 0.1393 0.1217 0.1144 0.0146 0.0101 0.0326 196 GLY B O 3947 N N . ALA B 117 ? 0.1221 0.1023 0.1286 0.0070 0.0032 0.0544 197 ALA B N 3948 C CA . ALA B 117 ? 0.1351 0.0951 0.1539 -0.0026 0.0068 0.0471 197 ALA B CA 3949 C C . ALA B 117 ? 0.1294 0.0979 0.1558 -0.0101 -0.0075 0.0359 197 ALA B C 3950 O O . ALA B 117 ? 0.1450 0.1104 0.1446 0.0046 -0.0165 0.0413 197 ALA B O 3951 C CB . ALA B 117 ? 0.1461 0.1000 0.1693 -0.0176 0.0284 0.0541 197 ALA B CB 3952 N N . ASP B 118 ? 0.1242 0.1093 0.1461 0.0039 -0.0294 0.0103 198 ASP B N 3953 C CA . ASP B 118 ? 0.1240 0.1411 0.1458 0.0005 -0.0133 -0.0051 198 ASP B CA 3954 C C . ASP B 118 ? 0.1288 0.1538 0.1430 0.0125 -0.0176 -0.0053 198 ASP B C 3955 O O . ASP B 118 ? 0.1225 0.1768 0.1466 0.0086 -0.0013 0.0104 198 ASP B O 3956 C CB . ASP B 118 ? 0.1195 0.1541 0.1557 -0.0064 -0.0419 0.0003 198 ASP B CB 3957 C CG . ASP B 118 ? 0.1495 0.1779 0.1919 -0.0130 -0.0250 0.0096 198 ASP B CG 3958 O OD1 . ASP B 118 ? 0.1509 0.1917 0.2311 -0.0142 -0.0152 -0.0084 198 ASP B OD1 3959 O OD2 . ASP B 118 ? 0.1825 0.1635 0.1886 -0.0251 -0.0234 0.0126 198 ASP B OD2 3960 N N . ASP B 119 ? 0.1401 0.1438 0.1502 0.0176 -0.0254 0.0168 199 ASP B N 3961 C CA . ASP B 119 ? 0.1617 0.1211 0.1805 0.0314 -0.0194 0.0102 199 ASP B CA 3962 C C . ASP B 119 ? 0.1601 0.1266 0.1723 0.0299 -0.0379 0.0232 199 ASP B C 3963 O O . ASP B 119 ? 0.1574 0.1558 0.2015 0.0265 -0.0160 0.0078 199 ASP B O 3964 C CB . ASP B 119 ? 0.2136 0.1329 0.2454 0.0230 0.0025 0.0470 199 ASP B CB 3965 C CG . ASP B 119 ? 0.2710 0.1663 0.3168 0.0248 0.0174 0.0943 199 ASP B CG 3966 O OD1 . ASP B 119 ? 0.2728 0.1944 0.3355 0.0179 0.0314 0.0984 199 ASP B OD1 3967 O OD2 . ASP B 119 ? 0.3112 0.2045 0.3422 0.0157 0.0179 0.0912 199 ASP B OD2 3968 N N . ASP B 120 ? 0.1555 0.1122 0.1835 0.0216 -0.0506 0.0132 200 ASP B N 3969 C CA . ASP B 120 ? 0.1673 0.1246 0.1804 -0.0067 -0.0592 0.0272 200 ASP B CA 3970 C C . ASP B 120 ? 0.1521 0.1271 0.1777 -0.0119 -0.0340 0.0037 200 ASP B C 3971 O O . ASP B 120 ? 0.1527 0.1521 0.2093 -0.0208 -0.0100 0.0283 200 ASP B O 3972 C CB . ASP B 120 ? 0.1891 0.1504 0.2524 -0.0282 -0.0839 0.0241 200 ASP B CB 3973 C CG . ASP B 120 ? 0.2398 0.1834 0.3392 -0.0350 -0.0752 0.0213 200 ASP B CG 3974 O OD1 . ASP B 120 ? 0.2325 0.1789 0.3282 -0.0031 -0.0856 0.0074 200 ASP B OD1 3975 O OD2 . ASP B 120 ? 0.3089 0.2219 0.4015 -0.0343 -0.0650 0.0228 200 ASP B OD2 3976 N N . ALA B 121 ? 0.1395 0.0849 0.1723 0.0040 -0.0148 0.0077 201 ALA B N 3977 C CA . ALA B 121 ? 0.1227 0.0984 0.1583 -0.0043 -0.0326 0.0188 201 ALA B CA 3978 C C . ALA B 121 ? 0.1113 0.1089 0.1223 0.0171 -0.0153 0.0289 201 ALA B C 3979 O O . ALA B 121 ? 0.1204 0.1251 0.1252 0.0284 -0.0059 0.0061 201 ALA B O 3980 C CB . ALA B 121 ? 0.1215 0.0989 0.1450 -0.0162 -0.0212 0.0008 201 ALA B CB 3981 N N . TYR B 122 ? 0.1011 0.1041 0.0945 0.0065 -0.0093 0.0242 202 TYR B N 3982 C CA . TYR B 122 ? 0.0838 0.0928 0.0917 0.0100 -0.0125 0.0417 202 TYR B CA 3983 C C . TYR B 122 ? 0.0886 0.1094 0.1215 0.0006 -0.0023 0.0314 202 TYR B C 3984 O O . TYR B 122 ? 0.0908 0.1206 0.1425 0.0121 -0.0030 0.0027 202 TYR B O 3985 C CB . TYR B 122 ? 0.0740 0.0890 0.1267 0.0203 0.0068 0.0155 202 TYR B CB 3986 C CG . TYR B 122 ? 0.0676 0.0999 0.1431 0.0088 -0.0170 0.0067 202 TYR B CG 3987 C CD1 . TYR B 122 ? 0.0672 0.1229 0.1559 0.0164 0.0001 0.0028 202 TYR B CD1 3988 C CD2 . TYR B 122 ? 0.0722 0.0926 0.1592 0.0233 -0.0156 0.0042 202 TYR B CD2 3989 C CE1 . TYR B 122 ? 0.0884 0.1220 0.1544 0.0376 0.0290 0.0079 202 TYR B CE1 3990 C CE2 . TYR B 122 ? 0.0746 0.0904 0.1368 0.0320 -0.0279 0.0140 202 TYR B CE2 3991 C CZ . TYR B 122 ? 0.0908 0.1166 0.1452 0.0334 0.0226 0.0220 202 TYR B CZ 3992 O OH . TYR B 122 ? 0.1155 0.1427 0.1408 0.0255 0.0033 0.0099 202 TYR B OH 3993 N N . ALA B 123 ? 0.0896 0.1226 0.1074 -0.0166 0.0089 0.0539 203 ALA B N 3994 C CA . ALA B 123 ? 0.0882 0.1410 0.1033 -0.0045 -0.0163 0.0316 203 ALA B CA 3995 C C . ALA B 123 ? 0.0859 0.1354 0.1150 0.0019 -0.0225 -0.0185 203 ALA B C 3996 O O . ALA B 123 ? 0.1138 0.1320 0.1177 0.0015 -0.0052 -0.0274 203 ALA B O 3997 C CB . ALA B 123 ? 0.1248 0.1651 0.1093 -0.0038 -0.0055 0.0404 203 ALA B CB 3998 N N . VAL B 124 ? 0.0783 0.1479 0.1080 -0.0002 -0.0180 -0.0054 204 VAL B N 3999 C CA . VAL B 124 ? 0.0876 0.1247 0.1023 0.0038 -0.0077 0.0190 204 VAL B CA 4000 C C . VAL B 124 ? 0.1081 0.1336 0.0981 -0.0039 0.0033 0.0085 204 VAL B C 4001 O O . VAL B 124 ? 0.1048 0.1215 0.1116 0.0000 -0.0047 -0.0002 204 VAL B O 4002 C CB . VAL B 124 ? 0.0762 0.1104 0.1112 0.0139 -0.0039 0.0292 204 VAL B CB 4003 C CG1 . VAL B 124 ? 0.0743 0.1339 0.1184 0.0181 -0.0226 0.0177 204 VAL B CG1 4004 C CG2 . VAL B 124 ? 0.1101 0.1105 0.1286 0.0083 0.0288 0.0537 204 VAL B CG2 4005 N N . ILE B 125 ? 0.1020 0.1441 0.0478 -0.0013 -0.0167 0.0278 205 ILE B N 4006 C CA . ILE B 125 ? 0.1288 0.1453 0.0582 0.0050 -0.0006 -0.0108 205 ILE B CA 4007 C C . ILE B 125 ? 0.1367 0.1233 0.0861 0.0086 -0.0338 -0.0188 205 ILE B C 4008 O O . ILE B 125 ? 0.1435 0.1248 0.1509 -0.0011 -0.0431 -0.0220 205 ILE B O 4009 C CB . ILE B 125 ? 0.1459 0.1616 0.1157 0.0242 0.0225 0.0059 205 ILE B CB 4010 C CG1 . ILE B 125 ? 0.1767 0.1975 0.2054 0.0423 0.0654 -0.0294 205 ILE B CG1 4011 C CG2 . ILE B 125 ? 0.1449 0.1667 0.1098 -0.0207 0.0056 0.0261 205 ILE B CG2 4012 C CD1 . ILE B 125 ? 0.2211 0.2256 0.2924 0.0309 0.0246 -0.0301 205 ILE B CD1 4013 N N . HIS B 126 ? 0.1344 0.1138 0.0859 0.0096 -0.0303 -0.0135 206 HIS B N 4014 C CA . HIS B 126 ? 0.1593 0.1288 0.0612 0.0031 -0.0069 0.0102 206 HIS B CA 4015 C C . HIS B 126 ? 0.1577 0.1481 0.0576 0.0120 -0.0162 0.0139 206 HIS B C 4016 O O . HIS B 126 ? 0.1587 0.1716 0.1372 0.0131 -0.0071 0.0312 206 HIS B O 4017 C CB . HIS B 126 ? 0.1806 0.1341 0.0567 -0.0137 0.0149 -0.0016 206 HIS B CB 4018 C CG . HIS B 126 ? 0.1990 0.1101 0.0939 -0.0104 -0.0279 0.0155 206 HIS B CG 4019 N ND1 . HIS B 126 ? 0.2269 0.1194 0.1513 -0.0064 0.0082 0.0091 206 HIS B ND1 4020 C CD2 . HIS B 126 ? 0.1833 0.0901 0.1087 -0.0248 0.0102 0.0223 206 HIS B CD2 4021 C CE1 . HIS B 126 ? 0.2000 0.1034 0.1180 -0.0163 -0.0163 0.0187 206 HIS B CE1 4022 N NE2 . HIS B 126 ? 0.2242 0.1219 0.1625 -0.0369 0.0139 0.0027 206 HIS B NE2 4023 N N . TYR B 127 ? 0.1486 0.1578 0.0239 0.0076 -0.0287 0.0022 207 TYR B N 4024 C CA . TYR B 127 ? 0.1492 0.1807 0.0558 0.0367 -0.0193 0.0030 207 TYR B CA 4025 C C . TYR B 127 ? 0.1564 0.2385 0.1213 0.0408 -0.0208 0.0175 207 TYR B C 4026 O O . TYR B 127 ? 0.1404 0.2686 0.1569 0.0282 -0.0414 0.0103 207 TYR B O 4027 C CB . TYR B 127 ? 0.1574 0.1688 0.0825 0.0213 0.0101 -0.0024 207 TYR B CB 4028 C CG . TYR B 127 ? 0.1630 0.1666 0.1044 0.0304 -0.0074 0.0227 207 TYR B CG 4029 C CD1 . TYR B 127 ? 0.1555 0.1682 0.0954 0.0297 -0.0009 0.0007 207 TYR B CD1 4030 C CD2 . TYR B 127 ? 0.1827 0.1694 0.1051 0.0241 0.0061 0.0129 207 TYR B CD2 4031 C CE1 . TYR B 127 ? 0.1654 0.1751 0.1004 0.0170 -0.0067 0.0059 207 TYR B CE1 4032 C CE2 . TYR B 127 ? 0.1743 0.1822 0.1089 0.0141 0.0152 0.0299 207 TYR B CE2 4033 C CZ . TYR B 127 ? 0.1817 0.1841 0.1139 0.0210 0.0059 0.0259 207 TYR B CZ 4034 O OH . TYR B 127 ? 0.1875 0.1915 0.1272 0.0103 0.0001 0.0370 207 TYR B OH 4035 N N . GLY B 128 ? 0.1625 0.2522 0.1672 0.0538 -0.0044 0.0190 208 GLY B N 4036 C CA . GLY B 128 ? 0.1683 0.2654 0.2032 0.0668 0.0077 0.0339 208 GLY B CA 4037 C C . GLY B 128 ? 0.2016 0.2814 0.2532 0.0536 0.0139 0.0082 208 GLY B C 4038 O O . GLY B 128 ? 0.2085 0.3131 0.2894 0.0225 -0.0131 0.0189 208 GLY B O 4039 N N . GLY B 129 ? 0.2320 0.2739 0.2722 0.0357 0.0199 -0.0046 209 GLY B N 4040 C CA . GLY B 129 ? 0.2638 0.2793 0.3126 -0.0008 0.0123 0.0259 209 GLY B CA 4041 C C . GLY B 129 ? 0.2989 0.3060 0.3581 -0.0129 0.0060 0.0507 209 GLY B C 4042 O O . GLY B 129 ? 0.3239 0.3406 0.4025 -0.0451 0.0347 0.0803 209 GLY B O 4043 N N . MET B 130 ? 0.2952 0.2747 0.3739 0.0141 -0.0430 0.0467 210 MET B N 4044 C CA . MET B 130 ? 0.3086 0.2881 0.3834 -0.0098 -0.0609 0.0207 210 MET B CA 4045 C C . MET B 130 ? 0.2585 0.2402 0.2375 -0.0086 -0.0291 0.0144 210 MET B C 4046 O O . MET B 130 ? 0.2831 0.2313 0.1491 -0.0029 -0.0022 -0.0035 210 MET B O 4047 C CB . MET B 130 ? 0.3664 0.3419 0.4967 -0.0145 -0.0647 0.0113 210 MET B CB 4048 C CG . MET B 130 ? 0.4180 0.4116 0.6074 -0.0173 -0.0234 -0.0078 210 MET B CG 4049 S SD . MET B 130 ? 0.4642 0.4642 0.7127 -0.0250 0.0066 -0.0360 210 MET B SD 4050 C CE . MET B 130 ? 0.4835 0.4602 0.7214 -0.0325 0.0167 -0.0450 210 MET B CE 4051 N N . PRO B 131 ? 0.2140 0.2290 0.2225 -0.0276 0.0229 0.0204 211 PRO B N 4052 C CA . PRO B 131 ? 0.2042 0.2130 0.2037 -0.0296 0.0345 0.0105 211 PRO B CA 4053 C C . PRO B 131 ? 0.1862 0.2150 0.1682 -0.0553 0.0116 -0.0528 211 PRO B C 4054 O O . PRO B 131 ? 0.2220 0.2850 0.2288 -0.0981 0.0466 -0.1043 211 PRO B O 4055 C CB . PRO B 131 ? 0.2286 0.2210 0.2674 -0.0168 0.0188 0.0611 211 PRO B CB 4056 C CG . PRO B 131 ? 0.2477 0.2339 0.2905 -0.0159 0.0451 0.0808 211 PRO B CG 4057 C CD . PRO B 131 ? 0.2418 0.2349 0.2875 -0.0299 0.0473 0.0575 211 PRO B CD 4058 N N . THR B 132 ? 0.1538 0.1757 0.1245 -0.0134 0.0121 -0.0219 212 THR B N 4059 C CA . THR B 132 ? 0.1552 0.1834 0.1474 0.0109 -0.0075 0.0002 212 THR B CA 4060 C C . THR B 132 ? 0.1661 0.1667 0.1305 0.0175 -0.0272 -0.0156 212 THR B C 4061 O O . THR B 132 ? 0.1855 0.1794 0.1458 0.0513 -0.0111 -0.0424 212 THR B O 4062 C CB . THR B 132 ? 0.1587 0.1893 0.1776 0.0015 -0.0186 0.0151 212 THR B CB 4063 O OG1 . THR B 132 ? 0.1511 0.1990 0.1935 -0.0169 -0.0168 -0.0225 212 THR B OG1 4064 C CG2 . THR B 132 ? 0.1520 0.1986 0.1956 0.0249 -0.0422 0.0060 212 THR B CG2 4065 N N . ASP B 133 ? 0.1423 0.1524 0.1139 0.0072 -0.0334 0.0025 213 ASP B N 4066 C CA . ASP B 133 ? 0.1448 0.1631 0.0944 0.0018 -0.0266 0.0274 213 ASP B CA 4067 C C . ASP B 133 ? 0.1514 0.1538 0.1211 -0.0026 -0.0194 0.0164 213 ASP B C 4068 O O . ASP B 133 ? 0.1616 0.1508 0.1417 -0.0032 -0.0320 0.0359 213 ASP B O 4069 C CB . ASP B 133 ? 0.1450 0.1759 0.1072 0.0122 0.0336 -0.0001 213 ASP B CB 4070 C CG . ASP B 133 ? 0.1571 0.1893 0.1561 0.0118 0.0507 -0.0139 213 ASP B CG 4071 O OD1 . ASP B 133 ? 0.1621 0.1831 0.1788 -0.0012 0.0265 -0.0534 213 ASP B OD1 4072 O OD2 . ASP B 133 ? 0.1645 0.1843 0.1966 0.0389 0.0758 0.0035 213 ASP B OD2 4073 N N . VAL B 134 ? 0.1311 0.1426 0.1314 -0.0139 -0.0214 0.0433 214 VAL B N 4074 C CA . VAL B 134 ? 0.1417 0.1463 0.1395 0.0110 0.0250 0.0175 214 VAL B CA 4075 C C . VAL B 134 ? 0.1487 0.1624 0.1130 0.0340 0.0064 0.0034 214 VAL B C 4076 O O . VAL B 134 ? 0.1735 0.1916 0.1261 0.0505 -0.0057 -0.0243 214 VAL B O 4077 C CB . VAL B 134 ? 0.1615 0.1470 0.2375 0.0095 0.0708 -0.0110 214 VAL B CB 4078 C CG1 . VAL B 134 ? 0.1552 0.1466 0.2772 0.0035 0.0881 -0.0032 214 VAL B CG1 4079 C CG2 . VAL B 134 ? 0.1982 0.1689 0.2975 0.0219 0.0648 0.0100 214 VAL B CG2 4080 N N . VAL B 135 ? 0.1168 0.1606 0.1191 0.0245 -0.0255 0.0371 215 VAL B N 4081 C CA . VAL B 135 ? 0.1294 0.1585 0.1392 0.0146 -0.0321 0.0139 215 VAL B CA 4082 C C . VAL B 135 ? 0.1196 0.1388 0.1289 0.0180 -0.0323 -0.0028 215 VAL B C 4083 O O . VAL B 135 ? 0.1366 0.1506 0.1249 0.0367 0.0006 -0.0291 215 VAL B O 4084 C CB . VAL B 135 ? 0.1590 0.1806 0.1663 0.0076 -0.0142 0.0434 215 VAL B CB 4085 C CG1 . VAL B 135 ? 0.1602 0.1945 0.1629 -0.0017 0.0199 0.0175 215 VAL B CG1 4086 C CG2 . VAL B 135 ? 0.1907 0.2016 0.1830 -0.0142 -0.0155 0.0619 215 VAL B CG2 4087 N N . ARG B 136 ? 0.1160 0.1473 0.1472 0.0114 -0.0467 0.0172 216 ARG B N 4088 C CA . ARG B 136 ? 0.1361 0.1501 0.1395 0.0035 -0.0463 0.0038 216 ARG B CA 4089 C C . ARG B 136 ? 0.1466 0.1549 0.1253 0.0039 -0.0347 -0.0065 216 ARG B C 4090 O O . ARG B 136 ? 0.1808 0.1722 0.1212 0.0057 -0.0266 0.0085 216 ARG B O 4091 C CB . ARG B 136 ? 0.1819 0.1660 0.2362 -0.0018 -0.0542 0.0271 216 ARG B CB 4092 C CG . ARG B 136 ? 0.2069 0.1958 0.2918 -0.0329 -0.0539 0.0069 216 ARG B CG 4093 C CD . ARG B 136 ? 0.2506 0.2405 0.3419 -0.0288 -0.0293 0.0118 216 ARG B CD 4094 N NE . ARG B 136 ? 0.2857 0.2690 0.3689 -0.0170 -0.0096 -0.0150 216 ARG B NE 4095 C CZ . ARG B 136 ? 0.3217 0.3017 0.4111 -0.0102 -0.0244 -0.0313 216 ARG B CZ 4096 N NH1 . ARG B 136 ? 0.3363 0.3198 0.4244 -0.0187 -0.0339 -0.0502 216 ARG B NH1 4097 N NH2 . ARG B 136 ? 0.3355 0.3072 0.4058 -0.0021 -0.0401 -0.0379 216 ARG B NH2 4098 N N . SER B 137 ? 0.1349 0.1466 0.1358 0.0104 -0.0426 -0.0420 217 SER B N 4099 C CA . SER B 137 ? 0.1340 0.1322 0.1387 0.0226 -0.0207 -0.0260 217 SER B CA 4100 C C . SER B 137 ? 0.1469 0.1440 0.1824 0.0042 -0.0021 0.0013 217 SER B C 4101 O O . SER B 137 ? 0.1729 0.1640 0.2286 0.0121 -0.0119 0.0309 217 SER B O 4102 C CB . SER B 137 ? 0.1306 0.1277 0.1404 0.0300 -0.0069 -0.0084 217 SER B CB 4103 O OG . SER B 137 ? 0.1328 0.1307 0.1613 0.0479 -0.0420 0.0316 217 SER B OG 4104 N N . TRP B 138 ? 0.1288 0.1425 0.1203 0.0160 0.0066 -0.0098 218 TRP B N 4105 C CA . TRP B 138 ? 0.1500 0.1419 0.1286 0.0137 0.0000 -0.0140 218 TRP B CA 4106 C C . TRP B 138 ? 0.1703 0.1425 0.1534 0.0431 -0.0083 0.0119 218 TRP B C 4107 O O . TRP B 138 ? 0.2131 0.1476 0.1840 0.0535 -0.0121 0.0199 218 TRP B O 4108 C CB . TRP B 138 ? 0.1648 0.1401 0.1293 0.0034 0.0074 -0.0141 218 TRP B CB 4109 C CG . TRP B 138 ? 0.1505 0.1377 0.1420 0.0243 0.0017 -0.0019 218 TRP B CG 4110 C CD1 . TRP B 138 ? 0.1557 0.1541 0.1307 0.0146 0.0027 0.0094 218 TRP B CD1 4111 C CD2 . TRP B 138 ? 0.1705 0.1433 0.1303 0.0227 0.0198 -0.0001 218 TRP B CD2 4112 N NE1 . TRP B 138 ? 0.1559 0.1350 0.1423 0.0246 0.0078 0.0245 218 TRP B NE1 4113 C CE2 . TRP B 138 ? 0.1712 0.1381 0.1441 0.0236 -0.0052 0.0074 218 TRP B CE2 4114 C CE3 . TRP B 138 ? 0.1981 0.1444 0.1421 0.0118 0.0045 -0.0090 218 TRP B CE3 4115 C CZ2 . TRP B 138 ? 0.1737 0.1295 0.1037 0.0391 0.0156 0.0026 218 TRP B CZ2 4116 C CZ3 . TRP B 138 ? 0.1981 0.1397 0.1625 0.0059 0.0066 -0.0062 218 TRP B CZ3 4117 C CH2 . TRP B 138 ? 0.1785 0.1406 0.1256 0.0254 0.0379 0.0128 218 TRP B CH2 4118 N N . ARG B 139 ? 0.1623 0.1426 0.1248 0.0459 0.0099 0.0091 219 ARG B N 4119 C CA . ARG B 139 ? 0.1581 0.1454 0.1672 0.0380 -0.0105 0.0057 219 ARG B CA 4120 C C . ARG B 139 ? 0.1460 0.1300 0.1342 0.0369 -0.0192 0.0149 219 ARG B C 4121 O O . ARG B 139 ? 0.1558 0.1416 0.1327 0.0417 -0.0023 0.0263 219 ARG B O 4122 C CB . ARG B 139 ? 0.1786 0.1734 0.2020 0.0381 0.0298 -0.0022 219 ARG B CB 4123 C CG . ARG B 139 ? 0.2000 0.2051 0.2494 0.0285 0.0548 -0.0193 219 ARG B CG 4124 C CD . ARG B 139 ? 0.2272 0.2413 0.3320 0.0235 0.1035 -0.0517 219 ARG B CD 4125 N NE . ARG B 139 ? 0.2777 0.2886 0.4266 0.0191 0.0753 -0.0394 219 ARG B NE 4126 C CZ . ARG B 139 ? 0.3098 0.3208 0.4484 0.0270 0.0826 -0.0384 219 ARG B CZ 4127 N NH1 . ARG B 139 ? 0.3199 0.3242 0.4667 0.0401 0.0436 -0.0328 219 ARG B NH1 4128 N NH2 . ARG B 139 ? 0.3115 0.3352 0.4116 0.0170 0.1232 -0.0423 219 ARG B NH2 4129 N N . LYS B 140 ? 0.1422 0.1223 0.1462 0.0265 -0.0254 -0.0036 220 LYS B N 4130 C CA . LYS B 140 ? 0.1522 0.1140 0.1507 0.0217 -0.0126 0.0102 220 LYS B CA 4131 C C . LYS B 140 ? 0.1368 0.1109 0.1189 0.0295 -0.0111 0.0304 220 LYS B C 4132 O O . LYS B 140 ? 0.1301 0.1163 0.1565 0.0314 0.0033 0.0352 220 LYS B O 4133 C CB . LYS B 140 ? 0.1771 0.1296 0.1925 0.0155 -0.0083 -0.0079 220 LYS B CB 4134 C CG . LYS B 140 ? 0.1974 0.1360 0.2143 0.0114 -0.0088 -0.0288 220 LYS B CG 4135 C CD . LYS B 140 ? 0.2238 0.1608 0.2496 -0.0011 -0.0437 -0.0396 220 LYS B CD 4136 C CE . LYS B 140 ? 0.2509 0.2083 0.3154 0.0198 -0.0616 -0.0064 220 LYS B CE 4137 N NZ . LYS B 140 ? 0.2544 0.2373 0.3597 0.0190 -0.0454 0.0049 220 LYS B NZ 4138 N N . GLN B 141 ? 0.1417 0.1110 0.1177 0.0156 -0.0179 0.0093 221 GLN B N 4139 C CA . GLN B 141 ? 0.1305 0.1071 0.1586 0.0027 -0.0504 -0.0039 221 GLN B CA 4140 C C . GLN B 141 ? 0.1258 0.0987 0.1474 0.0242 -0.0118 -0.0032 221 GLN B C 4141 O O . GLN B 141 ? 0.1352 0.0992 0.1474 0.0214 -0.0004 0.0008 221 GLN B O 4142 C CB . GLN B 141 ? 0.1484 0.1551 0.2321 -0.0129 -0.0775 0.0089 221 GLN B CB 4143 C CG . GLN B 141 ? 0.1802 0.1917 0.2856 -0.0268 -0.0979 0.0233 221 GLN B CG 4144 C CD . GLN B 141 ? 0.2447 0.2518 0.4072 -0.0389 -0.0782 0.0229 221 GLN B CD 4145 O OE1 . GLN B 141 ? 0.2704 0.2861 0.4838 -0.0396 -0.0724 0.0445 221 GLN B OE1 4146 N NE2 . GLN B 141 ? 0.2636 0.2652 0.4219 -0.0436 -0.0623 0.0451 221 GLN B NE2 4147 N N . ILE B 142 ? 0.1134 0.0926 0.1216 0.0409 0.0112 -0.0016 222 ILE B N 4148 C CA . ILE B 142 ? 0.1108 0.0967 0.1205 0.0275 -0.0092 0.0148 222 ILE B CA 4149 C C . ILE B 142 ? 0.0998 0.1153 0.1231 0.0222 -0.0041 -0.0075 222 ILE B C 4150 O O . ILE B 142 ? 0.0885 0.1447 0.1297 0.0240 -0.0010 -0.0181 222 ILE B O 4151 C CB . ILE B 142 ? 0.1189 0.0959 0.1013 0.0187 -0.0174 0.0354 222 ILE B CB 4152 C CG1 . ILE B 142 ? 0.1269 0.1145 0.1097 -0.0135 -0.0438 0.0032 222 ILE B CG1 4153 C CG2 . ILE B 142 ? 0.1132 0.0929 0.1267 0.0255 -0.0085 0.0478 222 ILE B CG2 4154 C CD1 . ILE B 142 ? 0.1379 0.1284 0.1090 -0.0120 -0.0591 -0.0124 222 ILE B CD1 4155 N N . LEU B 143 ? 0.1116 0.1114 0.0949 0.0112 -0.0100 0.0008 223 LEU B N 4156 C CA . LEU B 143 ? 0.1178 0.0967 0.0891 0.0062 -0.0204 0.0010 223 LEU B CA 4157 C C . LEU B 143 ? 0.0999 0.0913 0.0982 -0.0033 -0.0078 0.0088 223 LEU B C 4158 O O . LEU B 143 ? 0.1174 0.1060 0.0913 0.0069 0.0158 -0.0063 223 LEU B O 4159 C CB . LEU B 143 ? 0.1171 0.0969 0.1022 0.0120 -0.0226 -0.0048 223 LEU B CB 4160 C CG . LEU B 143 ? 0.1091 0.0895 0.1013 0.0213 -0.0105 0.0174 223 LEU B CG 4161 C CD1 . LEU B 143 ? 0.1083 0.0942 0.0999 0.0291 0.0130 -0.0171 223 LEU B CD1 4162 C CD2 . LEU B 143 ? 0.1252 0.0865 0.1285 0.0081 -0.0225 0.0123 223 LEU B CD2 4163 N N . ARG B 144 ? 0.0991 0.0611 0.1118 -0.0158 -0.0026 0.0188 224 ARG B N 4164 C CA . ARG B 144 ? 0.0939 0.0751 0.0840 0.0153 -0.0204 0.0346 224 ARG B CA 4165 C C . ARG B 144 ? 0.1186 0.0859 0.0970 0.0260 -0.0020 0.0368 224 ARG B C 4166 O O . ARG B 144 ? 0.1318 0.1150 0.1002 0.0208 0.0268 0.0314 224 ARG B O 4167 C CB . ARG B 144 ? 0.0939 0.1061 0.0848 0.0234 -0.0514 0.0054 224 ARG B CB 4168 C CG . ARG B 144 ? 0.0923 0.1155 0.1115 0.0202 -0.0676 0.0002 224 ARG B CG 4169 C CD . ARG B 144 ? 0.0834 0.1111 0.0964 0.0212 -0.0859 -0.0057 224 ARG B CD 4170 N NE . ARG B 144 ? 0.0963 0.1027 0.1132 0.0322 -0.0469 -0.0079 224 ARG B NE 4171 C CZ . ARG B 144 ? 0.0919 0.1107 0.1300 0.0298 -0.0028 0.0040 224 ARG B CZ 4172 N NH1 . ARG B 144 ? 0.1153 0.0868 0.1414 0.0132 -0.0062 0.0176 224 ARG B NH1 4173 N NH2 . ARG B 144 ? 0.1113 0.1360 0.1418 0.0475 -0.0267 0.0187 224 ARG B NH2 4174 N N . THR B 145 ? 0.1238 0.0770 0.0799 0.0182 -0.0072 0.0551 225 THR B N 4175 C CA . THR B 145 ? 0.1137 0.0966 0.0766 0.0146 -0.0212 0.0253 225 THR B CA 4176 C C . THR B 145 ? 0.1212 0.1069 0.0663 0.0236 -0.0055 0.0208 225 THR B C 4177 O O . THR B 145 ? 0.1429 0.1181 0.0967 0.0172 0.0012 0.0073 225 THR B O 4178 C CB . THR B 145 ? 0.1248 0.1241 0.0768 0.0019 -0.0056 -0.0053 225 THR B CB 4179 O OG1 . THR B 145 ? 0.1495 0.1506 0.0775 -0.0258 0.0254 -0.0034 225 THR B OG1 4180 C CG2 . THR B 145 ? 0.1200 0.1269 0.1162 0.0108 0.0042 -0.0194 225 THR B CG2 4181 N N . GLN B 146 ? 0.1080 0.1042 0.0915 0.0044 0.0229 0.0027 226 GLN B N 4182 C CA . GLN B 146 ? 0.1181 0.0911 0.0804 0.0134 0.0057 -0.0196 226 GLN B CA 4183 C C . GLN B 146 ? 0.1078 0.0947 0.0685 0.0170 0.0086 -0.0361 226 GLN B C 4184 O O . GLN B 146 ? 0.0965 0.0948 0.0910 0.0099 -0.0045 -0.0242 226 GLN B O 4185 C CB . GLN B 146 ? 0.1284 0.1118 0.0677 0.0156 0.0126 -0.0087 226 GLN B CB 4186 C CG . GLN B 146 ? 0.1357 0.1077 0.0228 0.0402 0.0149 -0.0135 226 GLN B CG 4187 C CD . GLN B 146 ? 0.1496 0.1008 0.0906 0.0347 0.0252 0.0025 226 GLN B CD 4188 O OE1 . GLN B 146 ? 0.1800 0.1137 0.1317 0.0155 0.0293 -0.0322 226 GLN B OE1 4189 N NE2 . GLN B 146 ? 0.1579 0.0970 0.1438 0.0393 0.0029 0.0156 226 GLN B NE2 4190 N N . GLU B 147 ? 0.1109 0.1045 0.0934 0.0111 0.0229 -0.0144 227 GLU B N 4191 C CA . GLU B 147 ? 0.1203 0.0998 0.0652 -0.0018 0.0136 -0.0161 227 GLU B CA 4192 C C . GLU B 147 ? 0.1048 0.0978 0.0539 -0.0066 0.0019 -0.0004 227 GLU B C 4193 O O . GLU B 147 ? 0.1053 0.0958 0.0903 -0.0033 -0.0025 0.0043 227 GLU B O 4194 C CB . GLU B 147 ? 0.1349 0.1122 0.0788 0.0121 0.0072 -0.0126 227 GLU B CB 4195 C CG . GLU B 147 ? 0.1665 0.1170 0.1792 -0.0050 0.0003 -0.0040 227 GLU B CG 4196 C CD . GLU B 147 ? 0.1588 0.1429 0.2003 0.0127 -0.0066 0.0022 227 GLU B CD 4197 O OE1 . GLU B 147 ? 0.1623 0.1716 0.1621 0.0187 0.0040 -0.0080 227 GLU B OE1 4198 O OE2 . GLU B 147 ? 0.1608 0.1238 0.1958 0.0006 -0.0066 0.0185 227 GLU B OE2 4199 N N . SER B 148 ? 0.1094 0.1063 0.0719 0.0031 -0.0019 0.0038 228 SER B N 4200 C CA . SER B 148 ? 0.1073 0.1255 0.0694 0.0076 -0.0275 0.0148 228 SER B CA 4201 C C . SER B 148 ? 0.1155 0.1210 0.0704 0.0148 -0.0156 0.0162 228 SER B C 4202 O O . SER B 148 ? 0.1450 0.1169 0.1093 0.0070 -0.0119 0.0075 228 SER B O 4203 C CB . SER B 148 ? 0.1187 0.1492 0.0713 0.0147 0.0045 -0.0069 228 SER B CB 4204 O OG . SER B 148 ? 0.1107 0.1687 0.1030 0.0402 0.0228 -0.0157 228 SER B OG 4205 N N A SER B 149 ? 0.0933 0.1195 0.0419 0.0123 -0.0370 0.0192 229 SER B N 4206 N N B SER B 149 ? 0.1080 0.1164 0.0693 0.0159 -0.0268 0.0079 229 SER B N 4207 C CA A SER B 149 ? 0.1064 0.1123 0.0529 0.0108 -0.0140 -0.0107 229 SER B CA 4208 C CA B SER B 149 ? 0.1198 0.1079 0.0867 0.0193 -0.0179 -0.0172 229 SER B CA 4209 C C A SER B 149 ? 0.1263 0.1060 0.0957 0.0052 -0.0238 -0.0109 229 SER B C 4210 C C B SER B 149 ? 0.1307 0.1039 0.1040 0.0083 -0.0203 -0.0099 229 SER B C 4211 O O A SER B 149 ? 0.1387 0.1042 0.1318 0.0198 -0.0324 -0.0383 229 SER B O 4212 O O B SER B 149 ? 0.1385 0.1052 0.1274 0.0171 -0.0243 -0.0245 229 SER B O 4213 C CB A SER B 149 ? 0.1032 0.1108 0.0570 0.0033 -0.0140 -0.0020 229 SER B CB 4214 C CB B SER B 149 ? 0.1236 0.1046 0.1071 0.0269 -0.0259 -0.0276 229 SER B CB 4215 O OG A SER B 149 ? 0.1034 0.1000 0.0900 -0.0181 -0.0335 0.0212 229 SER B OG 4216 O OG B SER B 149 ? 0.1296 0.0977 0.1434 0.0268 -0.0430 -0.0311 229 SER B OG 4217 N N . CYS B 150 ? 0.1326 0.0948 0.0855 -0.0045 -0.0108 0.0063 230 CYS B N 4218 C CA . CYS B 150 ? 0.1408 0.1116 0.0939 -0.0172 0.0035 -0.0217 230 CYS B CA 4219 C C . CYS B 150 ? 0.1295 0.1063 0.0795 -0.0061 -0.0070 -0.0245 230 CYS B C 4220 O O . CYS B 150 ? 0.1489 0.1201 0.1057 -0.0032 0.0168 -0.0110 230 CYS B O 4221 C CB . CYS B 150 ? 0.1383 0.1286 0.1203 0.0002 -0.0027 -0.0282 230 CYS B CB 4222 S SG . CYS B 150 ? 0.1774 0.1683 0.1481 -0.0094 -0.0083 -0.0206 230 CYS B SG 4223 N N . VAL B 151 ? 0.1415 0.1314 0.0539 0.0035 0.0303 0.0097 231 VAL B N 4224 C CA . VAL B 151 ? 0.1412 0.1390 0.0654 0.0159 0.0314 -0.0107 231 VAL B CA 4225 C C . VAL B 151 ? 0.1460 0.1453 0.0699 0.0262 0.0104 0.0035 231 VAL B C 4226 O O . VAL B 151 ? 0.1724 0.1418 0.1147 0.0177 0.0038 0.0136 231 VAL B O 4227 C CB . VAL B 151 ? 0.1495 0.1575 0.0538 -0.0106 0.0166 -0.0101 231 VAL B CB 4228 C CG1 . VAL B 151 ? 0.1437 0.1804 0.0586 -0.0009 0.0502 0.0168 231 VAL B CG1 4229 C CG2 . VAL B 151 ? 0.1567 0.1748 0.1202 -0.0193 -0.0039 -0.0212 231 VAL B CG2 4230 N N . CYS B 152 ? 0.1460 0.1546 0.0777 0.0189 0.0119 0.0374 232 CYS B N 4231 C CA . CYS B 152 ? 0.1538 0.1732 0.0808 0.0136 0.0164 0.0253 232 CYS B CA 4232 C C . CYS B 152 ? 0.1696 0.1799 0.1032 0.0188 0.0091 0.0270 232 CYS B C 4233 O O . CYS B 152 ? 0.1784 0.1729 0.1143 0.0287 0.0291 0.0289 232 CYS B O 4234 C CB . CYS B 152 ? 0.1585 0.1949 0.1082 0.0301 0.0110 0.0125 232 CYS B CB 4235 S SG . CYS B 152 ? 0.1642 0.2147 0.1314 0.0308 0.0056 -0.0065 232 CYS B SG 4236 N N . MET B 153 ? 0.1736 0.1955 0.0802 0.0145 -0.0007 0.0062 233 MET B N 4237 C CA . MET B 153 ? 0.1686 0.1880 0.0958 0.0123 -0.0190 0.0209 233 MET B CA 4238 C C . MET B 153 ? 0.1836 0.1841 0.0653 0.0113 -0.0097 -0.0099 233 MET B C 4239 O O . MET B 153 ? 0.1687 0.1872 0.1222 0.0083 -0.0009 -0.0144 233 MET B O 4240 C CB . MET B 153 ? 0.1630 0.2090 0.1478 0.0108 -0.0130 0.0132 233 MET B CB 4241 C CG . MET B 153 ? 0.1690 0.2258 0.2026 0.0070 -0.0071 0.0292 233 MET B CG 4242 S SD . MET B 153 ? 0.1968 0.2476 0.2505 0.0085 0.0276 0.0587 233 MET B SD 4243 C CE . MET B 153 ? 0.1957 0.2448 0.2472 0.0214 0.0343 0.0782 233 MET B CE 4244 N N . ASN B 154 ? 0.2117 0.1901 0.0876 0.0124 0.0000 0.0064 234 ASN B N 4245 C CA . ASN B 154 ? 0.2221 0.2110 0.1350 -0.0106 -0.0003 -0.0227 234 ASN B CA 4246 C C . ASN B 154 ? 0.2218 0.2098 0.1387 -0.0077 -0.0141 0.0075 234 ASN B C 4247 O O . ASN B 154 ? 0.2450 0.2432 0.1775 -0.0315 -0.0259 -0.0093 234 ASN B O 4248 C CB . ASN B 154 ? 0.2506 0.2328 0.1713 -0.0416 0.0223 -0.0103 234 ASN B CB 4249 C CG . ASN B 154 ? 0.2797 0.2557 0.2122 -0.0347 0.0184 -0.0040 234 ASN B CG 4250 O OD1 . ASN B 154 ? 0.2985 0.2566 0.2112 -0.0216 0.0284 0.0470 234 ASN B OD1 4251 N ND2 . ASN B 154 ? 0.2765 0.2671 0.2311 -0.0470 0.0057 -0.0255 234 ASN B ND2 4252 N N . GLY B 155 ? 0.1976 0.1888 0.1163 0.0247 0.0023 0.0512 235 GLY B N 4253 C CA . GLY B 155 ? 0.1890 0.1758 0.0896 0.0210 -0.0099 0.0397 235 GLY B CA 4254 C C . GLY B 155 ? 0.1801 0.1762 0.1150 0.0248 -0.0035 0.0090 235 GLY B C 4255 O O . GLY B 155 ? 0.1735 0.1771 0.1584 0.0076 -0.0168 0.0013 235 GLY B O 4256 N N . ASN B 156 ? 0.1740 0.1673 0.0877 0.0331 -0.0185 0.0007 236 ASN B N 4257 C CA . ASN B 156 ? 0.1894 0.1722 0.0676 0.0426 -0.0104 -0.0142 236 ASN B CA 4258 C C . ASN B 156 ? 0.1890 0.1641 0.0583 0.0367 -0.0038 -0.0109 236 ASN B C 4259 O O . ASN B 156 ? 0.2263 0.1888 0.0772 0.0171 -0.0086 0.0222 236 ASN B O 4260 C CB . ASN B 156 ? 0.2016 0.1849 0.1068 0.0711 0.0294 -0.0361 236 ASN B CB 4261 C CG . ASN B 156 ? 0.2234 0.2318 0.1333 0.0543 0.0359 -0.0562 236 ASN B CG 4262 O OD1 . ASN B 156 ? 0.2642 0.2592 0.1749 0.0692 0.0333 -0.0363 236 ASN B OD1 4263 N ND2 . ASN B 156 ? 0.2036 0.2434 0.1466 0.0223 0.0167 -0.0890 236 ASN B ND2 4264 N N . CYS B 157 ? 0.1650 0.1554 0.0643 0.0326 -0.0101 0.0010 237 CYS B N 4265 C CA . CYS B 157 ? 0.1573 0.1501 0.0725 0.0436 -0.0109 -0.0011 237 CYS B CA 4266 C C . CYS B 157 ? 0.1605 0.1478 0.1122 0.0186 -0.0206 0.0179 237 CYS B C 4267 O O . CYS B 157 ? 0.1765 0.1534 0.1587 -0.0065 -0.0547 0.0248 237 CYS B O 4268 C CB . CYS B 157 ? 0.1710 0.1838 0.0840 0.0591 0.0054 0.0040 237 CYS B CB 4269 S SG . CYS B 157 ? 0.1840 0.2189 0.1488 0.0519 -0.0125 -0.0138 237 CYS B SG 4270 N N . TYR B 158 ? 0.1449 0.1463 0.0741 0.0269 -0.0120 -0.0021 238 TYR B N 4271 C CA . TYR B 158 ? 0.1269 0.1424 0.0714 0.0339 0.0091 -0.0037 238 TYR B CA 4272 C C . TYR B 158 ? 0.1316 0.1277 0.0997 0.0322 0.0058 0.0120 238 TYR B C 4273 O O . TYR B 158 ? 0.1335 0.1124 0.1551 0.0497 0.0102 -0.0212 238 TYR B O 4274 C CB . TYR B 158 ? 0.1235 0.1643 0.0721 0.0338 0.0207 0.0084 238 TYR B CB 4275 C CG . TYR B 158 ? 0.1305 0.1666 0.0799 0.0353 0.0196 0.0186 238 TYR B CG 4276 C CD1 . TYR B 158 ? 0.1388 0.1728 0.0892 0.0518 0.0060 -0.0143 238 TYR B CD1 4277 C CD2 . TYR B 158 ? 0.1447 0.1794 0.0953 0.0219 0.0169 0.0179 238 TYR B CD2 4278 C CE1 . TYR B 158 ? 0.1678 0.1824 0.0731 0.0626 0.0011 -0.0086 238 TYR B CE1 4279 C CE2 . TYR B 158 ? 0.1607 0.1865 0.0908 0.0270 0.0303 -0.0198 238 TYR B CE2 4280 C CZ . TYR B 158 ? 0.1839 0.1940 0.0864 0.0544 0.0227 -0.0153 238 TYR B CZ 4281 O OH . TYR B 158 ? 0.2126 0.2082 0.1119 0.0510 0.0525 -0.0304 238 TYR B OH 4282 N N . TRP B 159 ? 0.1322 0.1173 0.0740 0.0212 0.0100 0.0242 239 TRP B N 4283 C CA . TRP B 159 ? 0.1286 0.1137 0.0689 0.0220 0.0288 0.0058 239 TRP B CA 4284 C C . TRP B 159 ? 0.1326 0.1002 0.0704 0.0497 0.0054 -0.0152 239 TRP B C 4285 O O . TRP B 159 ? 0.1619 0.1002 0.0936 0.0673 0.0062 -0.0100 239 TRP B O 4286 C CB . TRP B 159 ? 0.1142 0.1265 0.0706 0.0130 0.0422 0.0048 239 TRP B CB 4287 C CG . TRP B 159 ? 0.1096 0.1186 0.0844 0.0120 0.0034 0.0434 239 TRP B CG 4288 C CD1 . TRP B 159 ? 0.1218 0.1312 0.1267 -0.0279 -0.0013 0.0322 239 TRP B CD1 4289 C CD2 . TRP B 159 ? 0.1106 0.1306 0.1182 0.0023 -0.0323 0.0128 239 TRP B CD2 4290 N NE1 . TRP B 159 ? 0.1171 0.1446 0.1556 -0.0089 -0.0466 0.0032 239 TRP B NE1 4291 C CE2 . TRP B 159 ? 0.1148 0.1379 0.1502 0.0178 -0.0593 0.0066 239 TRP B CE2 4292 C CE3 . TRP B 159 ? 0.1419 0.1290 0.1498 -0.0058 -0.0400 0.0165 239 TRP B CE3 4293 C CZ2 . TRP B 159 ? 0.1380 0.1493 0.1687 0.0179 -0.0543 0.0203 239 TRP B CZ2 4294 C CZ3 . TRP B 159 ? 0.1641 0.1498 0.1897 -0.0185 -0.0515 0.0223 239 TRP B CZ3 4295 C CH2 . TRP B 159 ? 0.1592 0.1579 0.1791 -0.0125 -0.0373 0.0225 239 TRP B CH2 4296 N N . VAL B 160 ? 0.1072 0.1011 0.0696 0.0347 -0.0035 0.0197 240 VAL B N 4297 C CA . VAL B 160 ? 0.1106 0.1367 0.0762 0.0047 0.0044 0.0261 240 VAL B CA 4298 C C . VAL B 160 ? 0.1085 0.1166 0.0918 -0.0017 0.0179 0.0292 240 VAL B C 4299 O O . VAL B 160 ? 0.1248 0.1095 0.0979 0.0066 -0.0143 0.0054 240 VAL B O 4300 C CB . VAL B 160 ? 0.1133 0.1572 0.0975 0.0069 -0.0054 0.0269 240 VAL B CB 4301 C CG1 . VAL B 160 ? 0.0877 0.1689 0.1211 0.0328 -0.0131 0.0218 240 VAL B CG1 4302 C CG2 . VAL B 160 ? 0.1342 0.1778 0.1057 0.0038 0.0006 0.0568 240 VAL B CG2 4303 N N . MET B 161 ? 0.1019 0.0992 0.1188 -0.0090 0.0091 0.0022 241 MET B N 4304 C CA . MET B 161 ? 0.0936 0.1233 0.1200 0.0038 -0.0243 0.0288 241 MET B CA 4305 C C . MET B 161 ? 0.0987 0.1011 0.1200 0.0308 -0.0113 0.0377 241 MET B C 4306 O O . MET B 161 ? 0.1187 0.1121 0.1446 0.0482 -0.0014 0.0430 241 MET B O 4307 C CB . MET B 161 ? 0.1098 0.1585 0.1407 -0.0052 -0.0410 0.0086 241 MET B CB 4308 C CG . MET B 161 ? 0.0840 0.1936 0.2022 -0.0209 -0.0178 0.0394 241 MET B CG 4309 S SD . MET B 161 ? 0.1416 0.2339 0.2233 -0.0124 -0.0314 0.0568 241 MET B SD 4310 C CE . MET B 161 ? 0.1127 0.1864 0.1562 0.0435 -0.0087 -0.0959 241 MET B CE 4311 N N . THR B 162 ? 0.1021 0.0912 0.0492 0.0143 -0.0339 0.0210 242 THR B N 4312 C CA . THR B 162 ? 0.1048 0.0983 0.0698 -0.0008 -0.0262 0.0152 242 THR B CA 4313 C C . THR B 162 ? 0.1206 0.1147 0.1020 0.0244 -0.0142 0.0086 242 THR B C 4314 O O . THR B 162 ? 0.1111 0.1134 0.0955 0.0291 0.0158 0.0014 242 THR B O 4315 C CB . THR B 162 ? 0.1237 0.1181 0.1176 0.0044 -0.0277 0.0194 242 THR B CB 4316 O OG1 . THR B 162 ? 0.1316 0.1425 0.1037 0.0045 -0.0132 0.0402 242 THR B OG1 4317 C CG2 . THR B 162 ? 0.1409 0.1205 0.1491 0.0039 -0.0155 0.0058 242 THR B CG2 4318 N N . ASP B 163 ? 0.1163 0.1175 0.1092 0.0256 -0.0273 0.0140 243 ASP B N 4319 C CA . ASP B 163 ? 0.1131 0.1221 0.1194 0.0178 -0.0008 0.0050 243 ASP B CA 4320 C C . ASP B 163 ? 0.1147 0.1221 0.0921 0.0351 -0.0032 0.0109 243 ASP B C 4321 O O . ASP B 163 ? 0.1120 0.1453 0.0985 0.0468 0.0127 -0.0007 243 ASP B O 4322 C CB . ASP B 163 ? 0.1086 0.1208 0.1358 -0.0026 0.0142 -0.0163 243 ASP B CB 4323 C CG . ASP B 163 ? 0.1268 0.1281 0.1566 0.0020 -0.0088 -0.0261 243 ASP B CG 4324 O OD1 . ASP B 163 ? 0.1329 0.1360 0.1830 0.0035 -0.0252 -0.0086 243 ASP B OD1 4325 O OD2 . ASP B 163 ? 0.1283 0.1151 0.1466 -0.0129 -0.0056 -0.0303 243 ASP B OD2 4326 N N . GLY B 164 ? 0.1111 0.1085 0.0997 0.0419 -0.0156 -0.0100 244 GLY B N 4327 C CA . GLY B 164 ? 0.0996 0.1250 0.1008 0.0230 -0.0192 0.0175 244 GLY B CA 4328 C C . GLY B 164 ? 0.1021 0.1228 0.1274 0.0212 -0.0400 0.0175 244 GLY B C 4329 O O . GLY B 164 ? 0.1006 0.1108 0.1462 0.0048 -0.0374 0.0179 244 GLY B O 4330 N N . PRO B 165 ? 0.1183 0.1389 0.1308 0.0246 -0.0473 0.0092 245 PRO B N 4331 C CA . PRO B 165 ? 0.1073 0.1298 0.1378 0.0138 -0.0398 0.0013 245 PRO B CA 4332 C C . PRO B 165 ? 0.1154 0.1243 0.1200 0.0132 -0.0159 0.0079 245 PRO B C 4333 O O . PRO B 165 ? 0.1202 0.1211 0.1253 -0.0155 0.0077 0.0060 245 PRO B O 4334 C CB . PRO B 165 ? 0.1166 0.1495 0.1822 0.0325 -0.0404 0.0055 245 PRO B CB 4335 C CG . PRO B 165 ? 0.1103 0.1427 0.1554 0.0326 -0.0457 -0.0039 245 PRO B CG 4336 C CD . PRO B 165 ? 0.1028 0.1447 0.1358 0.0512 -0.0454 0.0192 245 PRO B CD 4337 N N . ALA B 166 ? 0.1074 0.1333 0.1215 0.0137 -0.0105 -0.0068 246 ALA B N 4338 C CA . ALA B 166 ? 0.1238 0.1244 0.1241 0.0335 -0.0102 -0.0092 246 ALA B CA 4339 C C . ALA B 166 ? 0.1461 0.1477 0.1220 0.0174 -0.0218 0.0001 246 ALA B C 4340 O O . ALA B 166 ? 0.1734 0.1398 0.1642 0.0168 -0.0159 0.0344 246 ALA B O 4341 C CB . ALA B 166 ? 0.1548 0.1540 0.1258 0.0442 -0.0249 -0.0186 246 ALA B CB 4342 N N . ASN B 167 ? 0.1377 0.1554 0.1235 0.0398 -0.0397 0.0152 247 ASN B N 4343 C CA . ASN B 167 ? 0.1492 0.1805 0.1441 0.0312 -0.0320 0.0127 247 ASN B CA 4344 C C . ASN B 167 ? 0.1339 0.1805 0.1257 0.0256 -0.0129 0.0007 247 ASN B C 4345 O O . ASN B 167 ? 0.1357 0.2003 0.1430 0.0307 -0.0161 0.0074 247 ASN B O 4346 C CB . ASN B 167 ? 0.1870 0.2119 0.1364 0.0697 -0.0594 -0.0078 247 ASN B CB 4347 C CG . ASN B 167 ? 0.2362 0.2554 0.1628 0.0785 -0.0446 0.0270 247 ASN B CG 4348 O OD1 . ASN B 167 ? 0.2685 0.2743 0.1707 0.1199 -0.0300 0.0479 247 ASN B OD1 4349 N ND2 . ASN B 167 ? 0.2532 0.2576 0.1508 0.0759 -0.0334 0.0316 247 ASN B ND2 4350 N N . SER B 168 ? 0.1347 0.1526 0.1086 0.0343 0.0002 -0.0260 248 SER B N 4351 C CA . SER B 168 ? 0.1350 0.1546 0.1057 0.0237 -0.0112 -0.0002 248 SER B CA 4352 C C . SER B 168 ? 0.1302 0.1528 0.0824 0.0141 -0.0060 -0.0199 248 SER B C 4353 O O . SER B 168 ? 0.1146 0.1528 0.1181 0.0315 -0.0301 0.0015 248 SER B O 4354 C CB . SER B 168 ? 0.1186 0.1479 0.1392 0.0068 -0.0162 0.0025 248 SER B CB 4355 O OG . SER B 168 ? 0.1450 0.1652 0.1679 -0.0089 -0.0158 0.0120 248 SER B OG 4356 N N . GLN B 169 ? 0.1251 0.1562 0.0728 -0.0093 0.0124 -0.0233 249 GLN B N 4357 C CA . GLN B 169 ? 0.1073 0.1538 0.1154 0.0103 0.0064 -0.0275 249 GLN B CA 4358 C C . GLN B 169 ? 0.0946 0.1507 0.1340 0.0380 0.0016 -0.0022 249 GLN B C 4359 O O . GLN B 169 ? 0.0938 0.1543 0.1524 0.0327 0.0034 -0.0021 249 GLN B O 4360 C CB . GLN B 169 ? 0.1192 0.1479 0.0979 0.0375 0.0254 -0.0323 249 GLN B CB 4361 C CG . GLN B 169 ? 0.1394 0.1564 0.1142 0.0459 0.0293 -0.0034 249 GLN B CG 4362 C CD . GLN B 169 ? 0.1604 0.1660 0.1296 0.0505 0.0018 0.0031 249 GLN B CD 4363 O OE1 . GLN B 169 ? 0.1839 0.1921 0.1549 0.0570 -0.0018 -0.0073 249 GLN B OE1 4364 N NE2 . GLN B 169 ? 0.1799 0.1764 0.1524 0.0405 0.0037 0.0137 249 GLN B NE2 4365 N N . ALA B 170 ? 0.0961 0.1435 0.1324 0.0367 -0.0100 -0.0045 250 ALA B N 4366 C CA . ALA B 170 ? 0.1066 0.1408 0.1073 0.0440 -0.0082 0.0115 250 ALA B CA 4367 C C . ALA B 170 ? 0.1057 0.1470 0.0877 0.0453 0.0118 0.0103 250 ALA B C 4368 O O . ALA B 170 ? 0.1004 0.1680 0.0972 0.0440 0.0198 0.0092 250 ALA B O 4369 C CB . ALA B 170 ? 0.1031 0.1483 0.1116 0.0452 0.0008 0.0280 250 ALA B CB 4370 N N . SER B 171 ? 0.1195 0.1139 0.1056 0.0557 -0.0088 -0.0058 251 SER B N 4371 C CA . SER B 171 ? 0.1323 0.1279 0.1111 0.0359 -0.0030 0.0082 251 SER B CA 4372 C C . SER B 171 ? 0.1121 0.1173 0.1019 0.0466 -0.0203 0.0231 251 SER B C 4373 O O . SER B 171 ? 0.1118 0.1298 0.1340 0.0427 -0.0109 0.0016 251 SER B O 4374 C CB . SER B 171 ? 0.1581 0.1448 0.1037 0.0101 -0.0196 -0.0110 251 SER B CB 4375 O OG . SER B 171 ? 0.1865 0.1628 0.1543 0.0128 -0.0173 0.0072 251 SER B OG 4376 N N . TYR B 172 ? 0.1259 0.1313 0.1011 0.0383 0.0034 0.0237 252 TYR B N 4377 C CA . TYR B 172 ? 0.1282 0.1470 0.0789 0.0178 -0.0174 0.0060 252 TYR B CA 4378 C C . TYR B 172 ? 0.1207 0.1588 0.0945 0.0132 -0.0231 -0.0049 252 TYR B C 4379 O O . TYR B 172 ? 0.1281 0.1933 0.1024 0.0265 -0.0156 -0.0166 252 TYR B O 4380 C CB . TYR B 172 ? 0.1365 0.1200 0.0892 0.0160 -0.0275 0.0057 252 TYR B CB 4381 C CG . TYR B 172 ? 0.1365 0.1011 0.0980 0.0265 -0.0029 0.0207 252 TYR B CG 4382 C CD1 . TYR B 172 ? 0.1273 0.1056 0.1124 -0.0004 0.0025 -0.0124 252 TYR B CD1 4383 C CD2 . TYR B 172 ? 0.1261 0.1113 0.0864 0.0332 -0.0147 0.0160 252 TYR B CD2 4384 C CE1 . TYR B 172 ? 0.1177 0.1078 0.1423 0.0126 -0.0277 -0.0186 252 TYR B CE1 4385 C CE2 . TYR B 172 ? 0.1353 0.0993 0.1041 0.0294 -0.0226 -0.0173 252 TYR B CE2 4386 C CZ . TYR B 172 ? 0.1130 0.1164 0.1091 0.0298 -0.0178 -0.0139 252 TYR B CZ 4387 O OH . TYR B 172 ? 0.1108 0.1305 0.1293 0.0188 -0.0133 0.0056 252 TYR B OH 4388 N N . LYS B 173 ? 0.1175 0.1117 0.0757 0.0087 -0.0305 0.0283 253 LYS B N 4389 C CA . LYS B 173 ? 0.1313 0.0958 0.1031 -0.0046 -0.0160 0.0096 253 LYS B CA 4390 C C . LYS B 173 ? 0.1280 0.1168 0.1114 0.0199 -0.0196 -0.0059 253 LYS B C 4391 O O . LYS B 173 ? 0.1392 0.1191 0.1036 0.0185 -0.0154 -0.0157 253 LYS B O 4392 C CB . LYS B 173 ? 0.1515 0.0701 0.1653 -0.0174 0.0187 -0.0138 253 LYS B CB 4393 C CG . LYS B 173 ? 0.1768 0.0600 0.1788 -0.0241 0.0428 -0.0260 253 LYS B CG 4394 C CD . LYS B 173 ? 0.2175 0.0755 0.1851 -0.0224 0.0112 -0.0442 253 LYS B CD 4395 C CE . LYS B 173 ? 0.2511 0.1064 0.2075 -0.0231 0.0138 -0.0271 253 LYS B CE 4396 N NZ . LYS B 173 ? 0.2628 0.1448 0.1870 -0.0149 0.0216 -0.0597 253 LYS B NZ 4397 N N . ILE B 174 ? 0.1158 0.1347 0.0689 0.0320 -0.0228 0.0229 254 ILE B N 4398 C CA . ILE B 174 ? 0.1058 0.1373 0.1206 0.0292 -0.0003 0.0113 254 ILE B CA 4399 C C . ILE B 174 ? 0.1124 0.1285 0.1454 0.0247 0.0106 -0.0091 254 ILE B C 4400 O O . ILE B 174 ? 0.1230 0.1356 0.1309 0.0327 0.0178 -0.0202 254 ILE B O 4401 C CB . ILE B 174 ? 0.0987 0.1514 0.1647 0.0115 0.0190 0.0426 254 ILE B CB 4402 C CG1 . ILE B 174 ? 0.0768 0.1710 0.1819 -0.0073 0.0386 0.0134 254 ILE B CG1 4403 C CG2 . ILE B 174 ? 0.1226 0.1778 0.2118 0.0103 0.0085 0.0257 254 ILE B CG2 4404 C CD1 . ILE B 174 ? 0.1030 0.1829 0.2226 0.0016 0.0728 0.0185 254 ILE B CD1 4405 N N . PHE B 175 ? 0.0976 0.1238 0.1283 0.0339 -0.0065 -0.0013 255 PHE B N 4406 C CA . PHE B 175 ? 0.1230 0.1328 0.1013 0.0259 0.0024 0.0108 255 PHE B CA 4407 C C . PHE B 175 ? 0.1358 0.1319 0.1168 0.0300 0.0003 -0.0078 255 PHE B C 4408 O O . PHE B 175 ? 0.1468 0.1232 0.1670 0.0238 0.0024 -0.0142 255 PHE B O 4409 C CB . PHE B 175 ? 0.1320 0.1558 0.1036 0.0200 0.0151 0.0023 255 PHE B CB 4410 C CG . PHE B 175 ? 0.1481 0.1806 0.1090 0.0143 0.0154 0.0124 255 PHE B CG 4411 C CD1 . PHE B 175 ? 0.1567 0.1947 0.1366 -0.0072 0.0005 0.0180 255 PHE B CD1 4412 C CD2 . PHE B 175 ? 0.1580 0.1998 0.0861 0.0140 0.0015 0.0030 255 PHE B CD2 4413 C CE1 . PHE B 175 ? 0.1688 0.2075 0.1234 0.0051 0.0083 0.0136 255 PHE B CE1 4414 C CE2 . PHE B 175 ? 0.1611 0.2185 0.1389 0.0182 0.0122 0.0162 255 PHE B CE2 4415 C CZ . PHE B 175 ? 0.1560 0.2017 0.1175 0.0205 0.0142 0.0085 255 PHE B CZ 4416 N N . LYS B 176 ? 0.1557 0.1526 0.0867 0.0479 0.0004 -0.0089 256 LYS B N 4417 C CA . LYS B 176 ? 0.1568 0.1630 0.0729 0.0313 0.0018 -0.0149 256 LYS B CA 4418 C C . LYS B 176 ? 0.1608 0.1500 0.1055 0.0210 -0.0083 -0.0116 256 LYS B C 4419 O O . LYS B 176 ? 0.1705 0.1398 0.1294 0.0164 -0.0108 -0.0080 256 LYS B O 4420 C CB . LYS B 176 ? 0.1756 0.1909 0.0608 0.0315 0.0036 -0.0138 256 LYS B CB 4421 C CG . LYS B 176 ? 0.1901 0.2244 0.0765 0.0480 0.0000 -0.0177 256 LYS B CG 4422 C CD . LYS B 176 ? 0.1995 0.2602 0.0835 0.0732 -0.0017 -0.0503 256 LYS B CD 4423 C CE . LYS B 176 ? 0.2173 0.2945 0.1174 0.0788 0.0052 -0.0409 256 LYS B CE 4424 N NZ . LYS B 176 ? 0.2294 0.3212 0.1751 0.0888 -0.0070 -0.0445 256 LYS B NZ 4425 N N . SER B 177 ? 0.1514 0.1470 0.1104 0.0409 -0.0023 -0.0151 257 SER B N 4426 C CA . SER B 177 ? 0.1716 0.1403 0.1019 0.0292 -0.0134 -0.0087 257 SER B CA 4427 C C . SER B 177 ? 0.1748 0.1513 0.1048 0.0090 -0.0190 -0.0005 257 SER B C 4428 O O . SER B 177 ? 0.1663 0.1621 0.1159 0.0082 -0.0116 -0.0038 257 SER B O 4429 C CB . SER B 177 ? 0.1900 0.1423 0.1055 0.0366 0.0119 -0.0185 257 SER B CB 4430 O OG . SER B 177 ? 0.2013 0.1651 0.1344 0.0725 -0.0128 -0.0284 257 SER B OG 4431 N N . HIS B 178 ? 0.1552 0.1486 0.0957 0.0024 -0.0189 -0.0134 258 HIS B N 4432 C CA . HIS B 178 ? 0.1665 0.1797 0.0880 0.0123 -0.0045 -0.0122 258 HIS B CA 4433 C C . HIS B 178 ? 0.1665 0.1894 0.1364 0.0117 -0.0132 -0.0089 258 HIS B C 4434 O O . HIS B 178 ? 0.1623 0.1674 0.1077 0.0182 -0.0205 0.0014 258 HIS B O 4435 C CB . HIS B 178 ? 0.2117 0.1902 0.0932 0.0065 -0.0102 -0.0087 258 HIS B CB 4436 C CG . HIS B 178 ? 0.2555 0.2165 0.0938 0.0035 -0.0244 0.0066 258 HIS B CG 4437 N ND1 . HIS B 178 ? 0.2763 0.2303 0.1414 0.0179 -0.0513 0.0104 258 HIS B ND1 4438 C CD2 . HIS B 178 ? 0.2793 0.2271 0.0902 0.0187 -0.0586 0.0195 258 HIS B CD2 4439 C CE1 . HIS B 178 ? 0.2894 0.2376 0.1523 0.0120 -0.0459 0.0000 258 HIS B CE1 4440 N NE2 . HIS B 178 ? 0.2958 0.2397 0.1420 0.0168 -0.0605 0.0047 258 HIS B NE2 4441 N N . GLU B 179 ? 0.1362 0.1886 0.1422 0.0390 -0.0060 0.0347 259 GLU B N 4442 C CA . GLU B 179 ? 0.1726 0.2260 0.1701 0.0367 -0.0324 0.0147 259 GLU B CA 4443 C C . GLU B 179 ? 0.1623 0.2076 0.1765 0.0220 -0.0171 -0.0065 259 GLU B C 4444 O O . GLU B 179 ? 0.1658 0.2082 0.1807 0.0386 -0.0186 -0.0096 259 GLU B O 4445 C CB . GLU B 179 ? 0.2075 0.2756 0.2169 0.0366 -0.0644 0.0220 259 GLU B CB 4446 C CG . GLU B 179 ? 0.2602 0.3206 0.2611 0.0359 -0.0888 0.0515 259 GLU B CG 4447 C CD . GLU B 179 ? 0.3186 0.3657 0.3537 0.0374 -0.1115 0.0466 259 GLU B CD 4448 O OE1 . GLU B 179 ? 0.3360 0.3790 0.3581 0.0247 -0.1414 0.0158 259 GLU B OE1 4449 O OE2 . GLU B 179 ? 0.3521 0.3925 0.3802 0.0435 -0.1137 0.0654 259 GLU B OE2 4450 N N . GLY B 180 ? 0.1466 0.1719 0.1484 0.0142 -0.0142 0.0079 260 GLY B N 4451 C CA . GLY B 180 ? 0.1503 0.1416 0.1290 0.0173 0.0025 0.0093 260 GLY B CA 4452 C C . GLY B 180 ? 0.1557 0.1349 0.1466 0.0220 -0.0033 -0.0049 260 GLY B C 4453 O O . GLY B 180 ? 0.1656 0.1415 0.1512 0.0077 0.0080 -0.0157 260 GLY B O 4454 N N . MET B 181 ? 0.1496 0.1234 0.1512 0.0362 0.0103 -0.0312 261 MET B N 4455 C CA . MET B 181 ? 0.1545 0.1529 0.1656 0.0281 -0.0004 -0.0242 261 MET B CA 4456 C C . MET B 181 ? 0.1521 0.1498 0.1544 0.0250 -0.0071 -0.0160 261 MET B C 4457 O O . MET B 181 ? 0.1662 0.1387 0.1720 0.0096 0.0164 -0.0076 261 MET B O 4458 C CB . MET B 181 ? 0.1689 0.1938 0.1869 -0.0002 -0.0291 -0.0365 261 MET B CB 4459 C CG . MET B 181 ? 0.1820 0.2338 0.2372 -0.0063 -0.0291 -0.0478 261 MET B CG 4460 S SD . MET B 181 ? 0.1922 0.2557 0.2850 -0.0196 -0.0011 -0.0344 261 MET B SD 4461 C CE . MET B 181 ? 0.2002 0.2654 0.3057 -0.0117 0.0157 -0.0418 261 MET B CE 4462 N N . VAL B 182 ? 0.1611 0.1488 0.1435 0.0383 0.0025 -0.0259 262 VAL B N 4463 C CA . VAL B 182 ? 0.1593 0.1593 0.1420 0.0308 -0.0005 -0.0257 262 VAL B CA 4464 C C . VAL B 182 ? 0.1687 0.1642 0.1722 0.0088 0.0126 -0.0427 262 VAL B C 4465 O O . VAL B 182 ? 0.1724 0.1770 0.2384 -0.0091 0.0374 -0.0557 262 VAL B O 4466 C CB . VAL B 182 ? 0.1574 0.1780 0.1764 0.0413 -0.0186 -0.0005 262 VAL B CB 4467 C CG1 . VAL B 182 ? 0.1556 0.1730 0.1975 0.0496 -0.0342 0.0222 262 VAL B CG1 4468 C CG2 . VAL B 182 ? 0.1711 0.2100 0.1719 0.0134 0.0004 -0.0232 262 VAL B CG2 4469 N N . THR B 183 ? 0.1560 0.1502 0.1368 0.0169 0.0102 -0.0353 263 THR B N 4470 C CA . THR B 183 ? 0.1697 0.1700 0.1511 0.0314 0.0033 -0.0385 263 THR B CA 4471 C C . THR B 183 ? 0.1782 0.1781 0.1394 0.0446 -0.0097 -0.0402 263 THR B C 4472 O O . THR B 183 ? 0.1919 0.2014 0.1504 0.0736 0.0399 -0.0354 263 THR B O 4473 C CB . THR B 183 ? 0.1736 0.1863 0.1956 0.0191 -0.0109 -0.0090 263 THR B CB 4474 O OG1 . THR B 183 ? 0.1839 0.1991 0.2107 0.0036 -0.0249 0.0101 263 THR B OG1 4475 C CG2 . THR B 183 ? 0.1808 0.1879 0.2362 0.0247 -0.0088 -0.0173 263 THR B CG2 4476 N N . ASN B 184 ? 0.1622 0.1680 0.1657 0.0498 -0.0180 -0.0206 264 ASN B N 4477 C CA . ASN B 184 ? 0.1615 0.1693 0.1635 0.0270 -0.0097 -0.0143 264 ASN B CA 4478 C C . ASN B 184 ? 0.1537 0.1423 0.1530 0.0247 -0.0050 -0.0213 264 ASN B C 4479 O O . ASN B 184 ? 0.1523 0.1210 0.1542 0.0402 -0.0007 -0.0268 264 ASN B O 4480 C CB . ASN B 184 ? 0.1668 0.1806 0.1610 0.0380 0.0115 -0.0324 264 ASN B CB 4481 C CG . ASN B 184 ? 0.1829 0.1877 0.1827 0.0311 0.0337 -0.0162 264 ASN B CG 4482 O OD1 . ASN B 184 ? 0.1775 0.1757 0.1970 0.0433 0.0470 -0.0350 264 ASN B OD1 4483 N ND2 . ASN B 184 ? 0.1912 0.1984 0.2082 0.0192 0.0281 0.0114 264 ASN B ND2 4484 N N . GLU B 185 ? 0.1593 0.1298 0.1490 0.0311 -0.0215 -0.0059 265 GLU B N 4485 C CA . GLU B 185 ? 0.1718 0.1546 0.1457 0.0304 0.0010 -0.0065 265 GLU B CA 4486 C C . GLU B 185 ? 0.1605 0.1642 0.1393 0.0423 0.0016 -0.0258 265 GLU B C 4487 O O . GLU B 185 ? 0.1891 0.1764 0.1576 0.0460 -0.0107 -0.0322 265 GLU B O 4488 C CB . GLU B 185 ? 0.1934 0.1872 0.1582 0.0350 0.0328 0.0073 265 GLU B CB 4489 C CG . GLU B 185 ? 0.2421 0.2211 0.1996 0.0234 0.0663 0.0175 265 GLU B CG 4490 C CD . GLU B 185 ? 0.2840 0.2531 0.2523 0.0299 0.0626 0.0164 265 GLU B CD 4491 O OE1 . GLU B 185 ? 0.2877 0.2507 0.2824 0.0171 0.0877 0.0110 265 GLU B OE1 4492 O OE2 . GLU B 185 ? 0.3068 0.2860 0.2716 0.0237 0.0247 0.0190 265 GLU B OE2 4493 N N . ARG B 186 ? 0.1325 0.1622 0.0942 0.0482 0.0092 -0.0239 266 ARG B N 4494 C CA . ARG B 186 ? 0.1481 0.1689 0.1385 0.0467 0.0072 -0.0080 266 ARG B CA 4495 C C . ARG B 186 ? 0.1556 0.1525 0.1438 0.0435 -0.0052 -0.0146 266 ARG B C 4496 O O . ARG B 186 ? 0.1830 0.1506 0.1353 0.0454 0.0008 -0.0232 266 ARG B O 4497 C CB . ARG B 186 ? 0.1414 0.2077 0.1668 0.0623 0.0276 0.0015 266 ARG B CB 4498 C CG . ARG B 186 ? 0.1731 0.2414 0.2158 0.0706 0.0209 0.0011 266 ARG B CG 4499 C CD . ARG B 186 ? 0.2071 0.2624 0.2469 0.0829 0.0160 -0.0013 266 ARG B CD 4500 N NE . ARG B 186 ? 0.2392 0.2836 0.2775 0.0940 0.0237 0.0099 266 ARG B NE 4501 C CZ . ARG B 186 ? 0.2735 0.3048 0.3214 0.0907 0.0304 -0.0035 266 ARG B CZ 4502 N NH1 . ARG B 186 ? 0.2968 0.3032 0.3662 0.0881 0.0634 -0.0146 266 ARG B NH1 4503 N NH2 . ARG B 186 ? 0.2909 0.3091 0.2961 0.0944 0.0232 -0.0017 266 ARG B NH2 4504 N N . GLU B 187 ? 0.1439 0.1565 0.1603 0.0457 -0.0091 -0.0061 267 GLU B N 4505 C CA . GLU B 187 ? 0.1515 0.1539 0.1471 0.0437 -0.0028 0.0003 267 GLU B CA 4506 C C . GLU B 187 ? 0.1290 0.1554 0.1543 0.0422 0.0364 -0.0371 267 GLU B C 4507 O O . GLU B 187 ? 0.1559 0.1761 0.1756 0.0243 0.0510 -0.0410 267 GLU B O 4508 C CB . GLU B 187 ? 0.1929 0.1845 0.1636 0.0339 -0.0149 0.0186 267 GLU B CB 4509 C CG . GLU B 187 ? 0.2392 0.2046 0.1779 0.0231 -0.0482 0.0315 267 GLU B CG 4510 C CD . GLU B 187 ? 0.2767 0.2242 0.2028 0.0007 -0.0525 0.0046 267 GLU B CD 4511 O OE1 . GLU B 187 ? 0.3179 0.2535 0.2628 -0.0133 -0.0629 -0.0011 267 GLU B OE1 4512 O OE2 . GLU B 187 ? 0.2832 0.2194 0.2053 0.0168 -0.0305 -0.0057 267 GLU B OE2 4513 N N . VAL B 188 ? 0.1127 0.1565 0.1621 0.0197 0.0024 -0.0305 268 VAL B N 4514 C CA . VAL B 188 ? 0.1349 0.1672 0.1533 0.0176 -0.0118 -0.0192 268 VAL B CA 4515 C C . VAL B 188 ? 0.1491 0.1885 0.1342 0.0278 0.0059 -0.0159 268 VAL B C 4516 O O . VAL B 188 ? 0.1806 0.2322 0.1518 0.0198 0.0093 0.0237 268 VAL B O 4517 C CB . VAL B 188 ? 0.1503 0.1635 0.1898 0.0109 -0.0181 -0.0145 268 VAL B CB 4518 C CG1 . VAL B 188 ? 0.1622 0.1609 0.2027 0.0052 -0.0400 -0.0275 268 VAL B CG1 4519 C CG2 . VAL B 188 ? 0.1518 0.1799 0.2154 0.0071 -0.0233 -0.0222 268 VAL B CG2 4520 N N . SER B 189 ? 0.1558 0.1728 0.1616 0.0359 -0.0124 -0.0429 269 SER B N 4521 C CA . SER B 189 ? 0.1766 0.1791 0.1706 0.0800 -0.0187 -0.0275 269 SER B CA 4522 C C . SER B 189 ? 0.1822 0.1803 0.1709 0.0571 -0.0145 -0.0182 269 SER B C 4523 O O . SER B 189 ? 0.1891 0.1879 0.1918 0.0287 -0.0004 -0.0098 269 SER B O 4524 C CB . SER B 189 ? 0.1906 0.1904 0.2297 0.1323 -0.0199 -0.0208 269 SER B CB 4525 O OG . SER B 189 ? 0.2404 0.2021 0.2941 0.1222 -0.0338 -0.0397 269 SER B OG 4526 N N . PHE B 190 ? 0.1724 0.1714 0.1707 0.0614 -0.0231 -0.0271 270 PHE B N 4527 C CA . PHE B 190 ? 0.1412 0.1568 0.1511 0.0404 0.0047 -0.0193 270 PHE B CA 4528 C C . PHE B 190 ? 0.1292 0.1535 0.1796 0.0556 0.0156 -0.0233 270 PHE B C 4529 O O . PHE B 190 ? 0.1260 0.1444 0.1933 0.0317 0.0045 -0.0140 270 PHE B O 4530 C CB . PHE B 190 ? 0.1352 0.1573 0.1897 0.0161 0.0304 0.0045 270 PHE B CB 4531 C CG . PHE B 190 ? 0.1425 0.1592 0.1750 0.0238 -0.0029 0.0219 270 PHE B CG 4532 C CD1 . PHE B 190 ? 0.1714 0.1716 0.2377 0.0097 -0.0117 0.0147 270 PHE B CD1 4533 C CD2 . PHE B 190 ? 0.1440 0.1586 0.1563 0.0240 -0.0219 -0.0060 270 PHE B CD2 4534 C CE1 . PHE B 190 ? 0.1802 0.1688 0.2203 0.0380 -0.0196 -0.0019 270 PHE B CE1 4535 C CE2 . PHE B 190 ? 0.1716 0.1586 0.1627 0.0228 -0.0279 -0.0159 270 PHE B CE2 4536 C CZ . PHE B 190 ? 0.1742 0.1569 0.1738 0.0286 -0.0270 -0.0093 270 PHE B CZ 4537 N N . GLN B 191 ? 0.1406 0.1840 0.1963 0.0695 0.0181 -0.0187 271 GLN B N 4538 C CA . GLN B 191 ? 0.1663 0.1964 0.2013 0.0632 0.0304 -0.0032 271 GLN B CA 4539 C C . GLN B 191 ? 0.1491 0.1811 0.1628 0.0546 0.0245 0.0001 271 GLN B C 4540 O O . GLN B 191 ? 0.1764 0.1859 0.1545 0.0492 0.0236 -0.0053 271 GLN B O 4541 C CB . GLN B 191 ? 0.2205 0.2363 0.2794 0.0524 0.0405 -0.0226 271 GLN B CB 4542 C CG . GLN B 191 ? 0.2839 0.2921 0.3790 0.0505 0.0367 0.0076 271 GLN B CG 4543 C CD . GLN B 191 ? 0.3460 0.3366 0.4859 0.0375 0.0071 0.0232 271 GLN B CD 4544 O OE1 . GLN B 191 ? 0.3635 0.3482 0.5269 0.0285 0.0223 0.0130 271 GLN B OE1 4545 N NE2 . GLN B 191 ? 0.3814 0.3732 0.5203 0.0275 -0.0224 0.0332 271 GLN B NE2 4546 N N . GLY B 192 ? 0.1355 0.1677 0.1532 0.0402 -0.0029 0.0138 272 GLY B N 4547 C CA . GLY B 192 ? 0.1272 0.1536 0.1799 0.0455 -0.0147 -0.0098 272 GLY B CA 4548 C C . GLY B 192 ? 0.1101 0.1512 0.1726 0.0558 -0.0068 -0.0146 272 GLY B C 4549 O O . GLY B 192 ? 0.1169 0.1457 0.1869 0.0428 0.0137 -0.0193 272 GLY B O 4550 N N . GLY B 193 ? 0.0833 0.1460 0.1571 0.0824 0.0091 0.0162 273 GLY B N 4551 C CA . GLY B 193 ? 0.0756 0.1513 0.1532 0.0468 -0.0106 0.0098 273 GLY B CA 4552 C C . GLY B 193 ? 0.1012 0.1521 0.1435 0.0377 0.0040 -0.0111 273 GLY B C 4553 O O . GLY B 193 ? 0.1368 0.1475 0.1378 0.0247 0.0083 -0.0042 273 GLY B O 4554 N N . HIS B 194 ? 0.0833 0.1458 0.1422 0.0530 -0.0019 0.0093 274 HIS B N 4555 C CA . HIS B 194 ? 0.0919 0.1330 0.1353 0.0507 0.0073 0.0047 274 HIS B CA 4556 C C . HIS B 194 ? 0.0955 0.1079 0.1283 0.0338 0.0032 0.0239 274 HIS B C 4557 O O . HIS B 194 ? 0.1030 0.0991 0.1865 0.0181 0.0057 0.0313 274 HIS B O 4558 C CB . HIS B 194 ? 0.1152 0.1383 0.0935 0.0319 0.0099 0.0074 274 HIS B CB 4559 C CG . HIS B 194 ? 0.1482 0.1392 0.1271 0.0210 0.0176 0.0072 274 HIS B CG 4560 N ND1 . HIS B 194 ? 0.1602 0.1376 0.1372 0.0071 0.0111 -0.0088 274 HIS B ND1 4561 C CD2 . HIS B 194 ? 0.1605 0.1470 0.1377 0.0040 0.0052 0.0083 274 HIS B CD2 4562 C CE1 . HIS B 194 ? 0.1773 0.1574 0.1545 -0.0039 0.0273 -0.0162 274 HIS B CE1 4563 N NE2 . HIS B 194 ? 0.1694 0.1458 0.1472 0.0003 0.0081 0.0004 274 HIS B NE2 4564 N N . ILE B 195 ? 0.0832 0.1007 0.1295 0.0582 -0.0151 0.0188 275 ILE B N 4565 C CA . ILE B 195 ? 0.0980 0.1036 0.1190 0.0558 0.0092 0.0015 275 ILE B CA 4566 C C . ILE B 195 ? 0.0994 0.0976 0.1281 0.0342 -0.0104 0.0071 275 ILE B C 4567 O O . ILE B 195 ? 0.1137 0.1116 0.1424 0.0252 -0.0002 0.0130 275 ILE B O 4568 C CB . ILE B 195 ? 0.1124 0.1496 0.1492 0.0470 -0.0024 0.0167 275 ILE B CB 4569 C CG1 . ILE B 195 ? 0.1367 0.2057 0.1579 0.0250 0.0079 0.0001 275 ILE B CG1 4570 C CG2 . ILE B 195 ? 0.1095 0.1614 0.1335 0.0355 -0.0190 0.0099 275 ILE B CG2 4571 C CD1 . ILE B 195 ? 0.1620 0.2198 0.1451 0.0269 0.0040 -0.0202 275 ILE B CD1 4572 N N . GLU B 196 ? 0.1037 0.0950 0.0967 0.0367 0.0058 0.0040 276 GLU B N 4573 C CA . GLU B 196 ? 0.1000 0.0993 0.0897 0.0290 0.0120 0.0379 276 GLU B CA 4574 C C . GLU B 196 ? 0.0887 0.0780 0.1188 0.0082 0.0099 0.0052 276 GLU B C 4575 O O . GLU B 196 ? 0.0953 0.1111 0.1227 -0.0074 -0.0103 0.0028 276 GLU B O 4576 C CB . GLU B 196 ? 0.1407 0.1289 0.1009 0.0381 0.0407 0.1000 276 GLU B CB 4577 C CG . GLU B 196 ? 0.1771 0.1692 0.1192 0.0425 0.0402 0.0830 276 GLU B CG 4578 C CD . GLU B 196 ? 0.1760 0.1877 0.1677 0.0348 0.0078 0.0263 276 GLU B CD 4579 O OE1 . GLU B 196 ? 0.1882 0.1928 0.2315 0.0181 0.0045 0.0162 276 GLU B OE1 4580 O OE2 . GLU B 196 ? 0.1649 0.1924 0.1693 -0.0122 -0.0483 0.0299 276 GLU B OE2 4581 N N . GLU B 197 ? 0.0913 0.0681 0.1115 0.0214 0.0087 0.0220 277 GLU B N 4582 C CA . GLU B 197 ? 0.0998 0.0779 0.0861 0.0018 0.0175 0.0013 277 GLU B CA 4583 C C . GLU B 197 ? 0.1237 0.0955 0.0698 0.0124 0.0147 -0.0132 277 GLU B C 4584 O O . GLU B 197 ? 0.1346 0.0983 0.1012 0.0244 0.0199 -0.0154 277 GLU B O 4585 C CB . GLU B 197 ? 0.0997 0.1031 0.1203 -0.0072 -0.0114 0.0124 277 GLU B CB 4586 C CG . GLU B 197 ? 0.0959 0.1454 0.1067 -0.0070 0.0232 0.0029 277 GLU B CG 4587 C CD . GLU B 197 ? 0.0977 0.1367 0.0967 -0.0094 0.0081 -0.0008 277 GLU B CD 4588 O OE1 . GLU B 197 ? 0.1264 0.1336 0.1360 0.0066 0.0094 -0.0117 277 GLU B OE1 4589 O OE2 . GLU B 197 ? 0.1116 0.1504 0.1186 -0.0015 0.0025 0.0173 277 GLU B OE2 4590 N N . CYS B 198 ? 0.1337 0.0966 0.0685 0.0267 -0.0091 0.0034 278 CYS B N 4591 C CA . CYS B 198 ? 0.1473 0.1005 0.0703 0.0358 0.0063 0.0226 278 CYS B CA 4592 C C . CYS B 198 ? 0.1293 0.1024 0.1057 0.0237 0.0021 0.0022 278 CYS B C 4593 O O . CYS B 198 ? 0.1310 0.1129 0.1213 0.0067 -0.0019 -0.0067 278 CYS B O 4594 C CB . CYS B 198 ? 0.1997 0.1156 0.0866 0.0407 0.0211 0.0078 278 CYS B CB 4595 S SG . CYS B 198 ? 0.2474 0.1502 0.1613 0.0546 0.0024 0.0002 278 CYS B SG 4596 N N . SER B 199 ? 0.0939 0.0926 0.1013 -0.0082 0.0059 0.0160 279 SER B N 4597 C CA . SER B 199 ? 0.1125 0.1087 0.0747 0.0159 -0.0015 -0.0170 279 SER B CA 4598 C C . SER B 199 ? 0.1107 0.1210 0.0930 -0.0029 0.0111 0.0028 279 SER B C 4599 O O . SER B 199 ? 0.1056 0.1270 0.1367 -0.0143 0.0240 0.0098 279 SER B O 4600 C CB . SER B 199 ? 0.1351 0.1376 0.0789 0.0008 0.0160 -0.0517 279 SER B CB 4601 O OG . SER B 199 ? 0.1688 0.1630 0.1357 0.0252 0.0028 -0.0253 279 SER B OG 4602 N N . CYS B 200 ? 0.1278 0.1436 0.0712 0.0031 -0.0085 0.0041 280 CYS B N 4603 C CA . CYS B 200 ? 0.1223 0.1368 0.0646 0.0013 -0.0008 0.0303 280 CYS B CA 4604 C C . CYS B 200 ? 0.1303 0.1466 0.0788 -0.0048 -0.0041 0.0286 280 CYS B C 4605 O O . CYS B 200 ? 0.1386 0.1685 0.0800 -0.0062 0.0184 0.0066 280 CYS B O 4606 C CB . CYS B 200 ? 0.1367 0.1279 0.1199 0.0082 0.0102 0.0114 280 CYS B CB 4607 S SG . CYS B 200 ? 0.1504 0.1516 0.1613 -0.0003 0.0098 0.0085 280 CYS B SG 4608 N N . TYR B 201 ? 0.1181 0.1514 0.0688 0.0093 -0.0094 0.0256 281 TYR B N 4609 C CA . TYR B 201 ? 0.1429 0.1405 0.0880 0.0098 -0.0130 0.0239 281 TYR B CA 4610 C C . TYR B 201 ? 0.1526 0.1530 0.1149 0.0168 -0.0018 0.0094 281 TYR B C 4611 O O . TYR B 201 ? 0.1787 0.1293 0.1150 0.0164 0.0192 -0.0197 281 TYR B O 4612 C CB . TYR B 201 ? 0.1238 0.1306 0.0918 -0.0209 -0.0164 0.0073 281 TYR B CB 4613 C CG . TYR B 201 ? 0.1072 0.1161 0.1243 -0.0017 0.0005 0.0122 281 TYR B CG 4614 C CD1 . TYR B 201 ? 0.1093 0.1179 0.1267 -0.0027 -0.0147 0.0184 281 TYR B CD1 4615 C CD2 . TYR B 201 ? 0.1016 0.1022 0.1454 -0.0059 0.0469 0.0094 281 TYR B CD2 4616 C CE1 . TYR B 201 ? 0.1108 0.1217 0.1482 -0.0098 0.0053 0.0382 281 TYR B CE1 4617 C CE2 . TYR B 201 ? 0.1265 0.1184 0.1885 -0.0047 0.0095 0.0209 281 TYR B CE2 4618 C CZ . TYR B 201 ? 0.1248 0.1182 0.1817 -0.0045 -0.0059 0.0221 281 TYR B CZ 4619 O OH . TYR B 201 ? 0.1370 0.1122 0.2204 -0.0086 0.0274 0.0117 281 TYR B OH 4620 N N . PRO B 202 ? 0.1499 0.1652 0.0937 0.0248 0.0018 0.0121 282 PRO B N 4621 C CA . PRO B 202 ? 0.1422 0.1661 0.0984 0.0036 0.0108 0.0058 282 PRO B CA 4622 C C . PRO B 202 ? 0.1390 0.1613 0.0981 -0.0105 0.0120 -0.0175 282 PRO B C 4623 O O . PRO B 202 ? 0.1447 0.1513 0.1304 -0.0145 -0.0060 -0.0113 282 PRO B O 4624 C CB . PRO B 202 ? 0.1358 0.1781 0.1135 0.0342 0.0115 -0.0180 282 PRO B CB 4625 C CG . PRO B 202 ? 0.1557 0.2152 0.1005 0.0456 -0.0130 -0.0083 282 PRO B CG 4626 C CD . PRO B 202 ? 0.1574 0.1957 0.1156 0.0556 -0.0360 -0.0094 282 PRO B CD 4627 N N . ASN B 203 ? 0.1444 0.1774 0.1043 -0.0229 -0.0018 0.0168 283 ASN B N 4628 C CA . ASN B 203 ? 0.1613 0.1735 0.0757 -0.0180 0.0027 0.0008 283 ASN B CA 4629 C C . ASN B 203 ? 0.1853 0.1657 0.1024 -0.0014 0.0257 0.0078 283 ASN B C 4630 O O . ASN B 203 ? 0.1859 0.1588 0.1405 0.0151 0.0280 -0.0017 283 ASN B O 4631 C CB . ASN B 203 ? 0.1682 0.1763 0.1319 -0.0104 -0.0079 0.0015 283 ASN B CB 4632 C CG . ASN B 203 ? 0.1532 0.1563 0.1162 -0.0038 0.0011 -0.0021 283 ASN B CG 4633 O OD1 . ASN B 203 ? 0.1587 0.1395 0.1227 -0.0040 -0.0096 0.0074 283 ASN B OD1 4634 N ND2 . ASN B 203 ? 0.1548 0.1630 0.1324 0.0037 0.0210 -0.0092 283 ASN B ND2 4635 N N . LEU B 204 ? 0.2097 0.1776 0.1368 -0.0154 0.0245 0.0123 284 LEU B N 4636 C CA . LEU B 204 ? 0.2221 0.2042 0.1655 0.0053 0.0456 0.0191 284 LEU B CA 4637 C C . LEU B 204 ? 0.2224 0.1852 0.1642 0.0283 0.0345 0.0102 284 LEU B C 4638 O O . LEU B 204 ? 0.2239 0.1970 0.1836 0.0373 0.0646 -0.0090 284 LEU B O 4639 C CB . LEU B 204 ? 0.2410 0.2501 0.1924 0.0174 0.0890 0.0453 284 LEU B CB 4640 C CG . LEU B 204 ? 0.2692 0.3039 0.3233 0.0113 0.0900 0.0578 284 LEU B CG 4641 C CD1 . LEU B 204 ? 0.3003 0.3180 0.3450 -0.0048 0.0964 0.0807 284 LEU B CD1 4642 C CD2 . LEU B 204 ? 0.2740 0.3172 0.3460 0.0081 0.1186 0.0475 284 LEU B CD2 4643 N N . GLY B 205 ? 0.2245 0.1674 0.1444 0.0264 0.0141 0.0173 285 GLY B N 4644 C CA . GLY B 205 ? 0.2224 0.1451 0.1584 0.0163 -0.0073 0.0263 285 GLY B CA 4645 C C . GLY B 205 ? 0.2225 0.1383 0.1659 0.0085 -0.0018 0.0137 285 GLY B C 4646 O O . GLY B 205 ? 0.2330 0.1368 0.2212 0.0123 0.0064 0.0303 285 GLY B O 4647 N N . LYS B 206 ? 0.2065 0.1437 0.1094 0.0322 -0.0020 0.0047 286 LYS B N 4648 C CA . LYS B 206 ? 0.1901 0.1649 0.1200 0.0366 0.0542 -0.0160 286 LYS B CA 4649 C C . LYS B 206 ? 0.1714 0.1607 0.1184 0.0205 0.0414 -0.0152 286 LYS B C 4650 O O . LYS B 206 ? 0.1917 0.1747 0.1560 0.0234 0.0605 0.0052 286 LYS B O 4651 C CB . LYS B 206 ? 0.1878 0.2160 0.1832 0.0324 0.0592 -0.0134 286 LYS B CB 4652 C CG . LYS B 206 ? 0.1933 0.2935 0.2245 0.0463 0.1058 0.0392 286 LYS B CG 4653 C CD . LYS B 206 ? 0.2155 0.3484 0.2878 0.0558 0.1082 0.0418 286 LYS B CD 4654 C CE . LYS B 206 ? 0.2344 0.3702 0.3308 0.0558 0.1095 0.0391 286 LYS B CE 4655 N NZ . LYS B 206 ? 0.2578 0.3907 0.3732 0.0420 0.1046 0.0313 286 LYS B NZ 4656 N N . VAL B 207 ? 0.1604 0.1610 0.0762 0.0065 -0.0122 -0.0121 287 VAL B N 4657 C CA . VAL B 207 ? 0.1539 0.1562 0.0764 -0.0078 -0.0008 -0.0080 287 VAL B CA 4658 C C . VAL B 207 ? 0.1640 0.1340 0.0862 0.0027 -0.0190 0.0038 287 VAL B C 4659 O O . VAL B 207 ? 0.1641 0.1255 0.1310 0.0150 -0.0236 0.0018 287 VAL B O 4660 C CB . VAL B 207 ? 0.1476 0.1753 0.0845 -0.0097 -0.0051 0.0074 287 VAL B CB 4661 C CG1 . VAL B 207 ? 0.1567 0.1785 0.1026 0.0023 0.0092 0.0116 287 VAL B CG1 4662 C CG2 . VAL B 207 ? 0.1197 0.1854 0.1440 -0.0016 -0.0145 -0.0017 287 VAL B CG2 4663 N N . GLU B 208 ? 0.1626 0.1229 0.0717 -0.0209 -0.0007 -0.0084 288 GLU B N 4664 C CA . GLU B 208 ? 0.1490 0.1333 0.0756 -0.0183 0.0011 -0.0021 288 GLU B CA 4665 C C . GLU B 208 ? 0.1292 0.1339 0.0870 -0.0132 0.0070 0.0037 288 GLU B C 4666 O O . GLU B 208 ? 0.1277 0.1364 0.0974 0.0015 -0.0115 0.0173 288 GLU B O 4667 C CB . GLU B 208 ? 0.1556 0.1500 0.1069 -0.0235 0.0581 0.0187 288 GLU B CB 4668 C CG . GLU B 208 ? 0.1755 0.1554 0.1084 -0.0257 0.0541 0.0198 288 GLU B CG 4669 C CD . GLU B 208 ? 0.1744 0.1606 0.1584 -0.0078 0.0156 -0.0013 288 GLU B CD 4670 O OE1 . GLU B 208 ? 0.1645 0.1417 0.1634 -0.0057 -0.0005 0.0195 288 GLU B OE1 4671 O OE2 . GLU B 208 ? 0.1974 0.1573 0.1835 0.0086 0.0091 -0.0157 288 GLU B OE2 4672 N N . CYS B 209 ? 0.1223 0.1423 0.0916 0.0075 -0.0303 0.0153 289 CYS B N 4673 C CA . CYS B 209 ? 0.1174 0.1347 0.1126 0.0052 -0.0143 -0.0027 289 CYS B CA 4674 C C . CYS B 209 ? 0.1233 0.1347 0.1186 0.0149 -0.0046 -0.0044 289 CYS B C 4675 O O . CYS B 209 ? 0.1178 0.1457 0.1525 0.0423 0.0173 0.0093 289 CYS B O 4676 C CB . CYS B 209 ? 0.1415 0.1319 0.1536 -0.0043 -0.0131 0.0108 289 CYS B CB 4677 S SG . CYS B 209 ? 0.1582 0.1514 0.1465 -0.0038 -0.0183 0.0077 289 CYS B SG 4678 N N . VAL B 210 ? 0.1381 0.1286 0.0920 0.0070 0.0087 0.0157 290 VAL B N 4679 C CA . VAL B 210 ? 0.1334 0.1226 0.1056 0.0015 0.0043 0.0194 290 VAL B CA 4680 C C . VAL B 210 ? 0.1085 0.1276 0.0810 0.0178 0.0215 0.0136 290 VAL B C 4681 O O . VAL B 210 ? 0.1092 0.1434 0.0917 0.0194 0.0152 0.0018 290 VAL B O 4682 C CB . VAL B 210 ? 0.1553 0.1226 0.1032 -0.0111 -0.0026 0.0240 290 VAL B CB 4683 C CG1 . VAL B 210 ? 0.1608 0.1243 0.1454 -0.0180 -0.0189 0.0216 290 VAL B CG1 4684 C CG2 . VAL B 210 ? 0.1830 0.1439 0.1022 0.0091 0.0172 0.0006 290 VAL B CG2 4685 N N . CYS B 211 ? 0.1120 0.1310 0.0701 0.0142 0.0147 0.0288 291 CYS B N 4686 C CA . CYS B 211 ? 0.1523 0.1153 0.0681 -0.0044 0.0077 -0.0116 291 CYS B CA 4687 C C . CYS B 211 ? 0.1343 0.1194 0.0921 0.0019 0.0089 -0.0072 291 CYS B C 4688 O O . CYS B 211 ? 0.1187 0.1127 0.1118 0.0166 0.0046 0.0023 291 CYS B O 4689 C CB . CYS B 211 ? 0.2008 0.1259 0.1110 -0.0155 -0.0232 -0.0370 291 CYS B CB 4690 S SG . CYS B 211 ? 0.2380 0.1572 0.1261 -0.0204 -0.0072 -0.0052 291 CYS B SG 4691 N N . ARG B 212 ? 0.1307 0.1217 0.0585 0.0219 0.0075 0.0038 292 ARG B N 4692 C CA . ARG B 212 ? 0.1186 0.1319 0.0531 0.0364 -0.0060 0.0051 292 ARG B CA 4693 C C . ARG B 212 ? 0.1091 0.1350 0.0987 0.0380 -0.0089 0.0047 292 ARG B C 4694 O O . ARG B 212 ? 0.1120 0.1587 0.0989 0.0368 -0.0284 -0.0022 292 ARG B O 4695 C CB . ARG B 212 ? 0.1165 0.1325 0.0725 0.0174 0.0066 0.0141 292 ARG B CB 4696 C CG . ARG B 212 ? 0.0975 0.1291 0.0889 0.0220 0.0120 -0.0084 292 ARG B CG 4697 C CD . ARG B 212 ? 0.0996 0.1308 0.0829 0.0226 0.0348 -0.0018 292 ARG B CD 4698 N NE . ARG B 212 ? 0.0863 0.1143 0.0911 0.0026 0.0429 -0.0013 292 ARG B NE 4699 C CZ . ARG B 212 ? 0.0908 0.1016 0.0690 0.0084 -0.0126 0.0134 292 ARG B CZ 4700 N NH1 . ARG B 212 ? 0.0980 0.0969 0.1171 0.0143 -0.0201 0.0057 292 ARG B NH1 4701 N NH2 . ARG B 212 ? 0.1022 0.1152 0.1020 -0.0067 -0.0273 0.0069 292 ARG B NH2 4702 N N . ASP B 213 ? 0.0940 0.1107 0.1191 0.0428 -0.0080 0.0080 293 ASP B N 4703 C CA . ASP B 213 ? 0.0767 0.1158 0.1282 0.0378 0.0064 0.0178 293 ASP B CA 4704 C C . ASP B 213 ? 0.0939 0.1099 0.1384 0.0093 -0.0141 0.0044 293 ASP B C 4705 O O . ASP B 213 ? 0.1073 0.1152 0.1513 0.0016 -0.0063 0.0069 293 ASP B O 4706 C CB . ASP B 213 ? 0.0682 0.1313 0.1611 0.0485 -0.0062 0.0003 293 ASP B CB 4707 C CG . ASP B 213 ? 0.0929 0.1495 0.1511 0.0416 0.0312 0.0019 293 ASP B CG 4708 O OD1 . ASP B 213 ? 0.0864 0.1524 0.1246 0.0154 0.0057 0.0095 293 ASP B OD1 4709 O OD2 . ASP B 213 ? 0.1190 0.1880 0.1854 0.0594 0.0367 0.0325 293 ASP B OD2 4710 N N . ASN B 214 ? 0.0828 0.1367 0.1151 0.0119 0.0319 0.0313 294 ASN B N 4711 C CA . ASN B 214 ? 0.0652 0.1307 0.1193 0.0212 0.0089 0.0294 294 ASN B CA 4712 C C . ASN B 214 ? 0.0892 0.1287 0.1365 0.0238 0.0033 0.0194 294 ASN B C 4713 O O . ASN B 214 ? 0.0839 0.1529 0.1446 0.0313 0.0035 0.0056 294 ASN B O 4714 C CB . ASN B 214 ? 0.0724 0.1405 0.1258 0.0205 0.0006 0.0149 294 ASN B CB 4715 C CG . ASN B 214 ? 0.0995 0.1372 0.1135 0.0266 0.0012 0.0083 294 ASN B CG 4716 O OD1 . ASN B 214 ? 0.1061 0.1545 0.1288 0.0366 -0.0221 -0.0067 294 ASN B OD1 4717 N ND2 . ASN B 214 ? 0.1306 0.1464 0.1342 0.0143 0.0030 0.0010 294 ASN B ND2 4718 N N . TRP B 215 ? 0.1124 0.1133 0.1322 0.0504 -0.0319 0.0132 295 TRP B N 4719 C CA . TRP B 215 ? 0.1110 0.1055 0.1239 0.0557 -0.0162 -0.0036 295 TRP B CA 4720 C C . TRP B 215 ? 0.1048 0.1152 0.1361 0.0401 -0.0101 -0.0019 295 TRP B C 4721 O O . TRP B 215 ? 0.1273 0.1494 0.1609 0.0299 -0.0133 -0.0076 295 TRP B O 4722 C CB . TRP B 215 ? 0.1077 0.0696 0.1643 0.0559 -0.0094 0.0217 295 TRP B CB 4723 C CG . TRP B 215 ? 0.1166 0.0923 0.1459 0.0468 -0.0097 0.0202 295 TRP B CG 4724 C CD1 . TRP B 215 ? 0.1235 0.0810 0.1662 0.0272 0.0036 0.0149 295 TRP B CD1 4725 C CD2 . TRP B 215 ? 0.1308 0.1073 0.1543 0.0303 -0.0180 -0.0040 295 TRP B CD2 4726 N NE1 . TRP B 215 ? 0.1385 0.0981 0.1254 0.0066 -0.0038 -0.0126 295 TRP B NE1 4727 C CE2 . TRP B 215 ? 0.1416 0.1002 0.1548 0.0113 -0.0109 -0.0202 295 TRP B CE2 4728 C CE3 . TRP B 215 ? 0.1307 0.1186 0.1571 0.0269 -0.0162 -0.0094 295 TRP B CE3 4729 C CZ2 . TRP B 215 ? 0.1498 0.1161 0.1668 0.0297 -0.0279 -0.0254 295 TRP B CZ2 4730 C CZ3 . TRP B 215 ? 0.1397 0.1115 0.1742 0.0227 -0.0366 -0.0126 295 TRP B CZ3 4731 C CH2 . TRP B 215 ? 0.1446 0.1159 0.1865 0.0341 -0.0450 -0.0018 295 TRP B CH2 4732 N N . ASN B 216 ? 0.0915 0.1179 0.1946 0.0305 0.0091 0.0098 296 ASN B N 4733 C CA . ASN B 216 ? 0.0913 0.1217 0.2022 0.0180 0.0048 0.0197 296 ASN B CA 4734 C C . ASN B 216 ? 0.0854 0.1171 0.1928 -0.0013 0.0136 -0.0237 296 ASN B C 4735 O O . ASN B 216 ? 0.0964 0.1267 0.2056 -0.0389 -0.0190 -0.0175 296 ASN B O 4736 C CB . ASN B 216 ? 0.1127 0.1443 0.2474 0.0247 -0.0052 0.0308 296 ASN B CB 4737 C CG . ASN B 216 ? 0.1345 0.1717 0.2593 0.0296 -0.0362 0.0161 296 ASN B CG 4738 O OD1 . ASN B 216 ? 0.1753 0.2117 0.3213 0.0278 -0.0438 -0.0083 296 ASN B OD1 4739 N ND2 . ASN B 216 ? 0.1210 0.1746 0.1805 0.0116 -0.0332 0.0261 296 ASN B ND2 4740 N N . GLY B 217 ? 0.0955 0.1213 0.1505 -0.0092 0.0182 -0.0022 297 GLY B N 4741 C CA . GLY B 217 ? 0.1016 0.1211 0.1570 0.0267 0.0151 -0.0063 297 GLY B CA 4742 C C . GLY B 217 ? 0.0923 0.1373 0.1630 0.0283 -0.0190 -0.0033 297 GLY B C 4743 O O . GLY B 217 ? 0.1033 0.1565 0.1495 0.0086 -0.0192 0.0082 297 GLY B O 4744 N N . MET B 218 ? 0.0976 0.1295 0.1497 0.0310 -0.0330 -0.0243 298 MET B N 4745 C CA . MET B 218 ? 0.0974 0.1417 0.1338 0.0247 -0.0419 -0.0124 298 MET B CA 4746 C C . MET B 218 ? 0.1016 0.1479 0.1554 0.0255 -0.0202 0.0084 298 MET B C 4747 O O . MET B 218 ? 0.0986 0.1478 0.1595 0.0340 -0.0171 0.0247 298 MET B O 4748 C CB . MET B 218 ? 0.0967 0.1533 0.1330 0.0001 -0.0439 -0.0028 298 MET B CB 4749 C CG . MET B 218 ? 0.1229 0.1741 0.1724 -0.0007 -0.0438 0.0054 298 MET B CG 4750 S SD . MET B 218 ? 0.1502 0.1632 0.1912 0.0107 -0.0504 -0.0115 298 MET B SD 4751 C CE . MET B 218 ? 0.1529 0.1536 0.1817 0.0074 -0.0728 0.0164 298 MET B CE 4752 N N . ASN B 219 ? 0.1070 0.1652 0.1442 0.0177 -0.0107 0.0262 299 ASN B N 4753 C CA . ASN B 219 ? 0.0979 0.1668 0.1326 0.0044 -0.0116 0.0223 299 ASN B CA 4754 C C . ASN B 219 ? 0.0914 0.1558 0.1660 0.0026 -0.0102 0.0194 299 ASN B C 4755 O O . ASN B 219 ? 0.0995 0.1645 0.1690 0.0171 -0.0040 0.0185 299 ASN B O 4756 C CB . ASN B 219 ? 0.0988 0.1621 0.1644 0.0172 -0.0047 0.0260 299 ASN B CB 4757 C CG . ASN B 219 ? 0.1032 0.1713 0.1585 0.0174 -0.0032 0.0081 299 ASN B CG 4758 O OD1 . ASN B 219 ? 0.1004 0.1594 0.1805 0.0153 -0.0066 0.0289 299 ASN B OD1 4759 N ND2 . ASN B 219 ? 0.1159 0.1636 0.1316 0.0191 -0.0247 -0.0132 299 ASN B ND2 4760 N N . ARG B 220 ? 0.0760 0.1526 0.1418 0.0148 -0.0082 0.0127 300 ARG B N 4761 C CA . ARG B 220 ? 0.0766 0.1398 0.1551 0.0115 0.0100 -0.0125 300 ARG B CA 4762 C C . ARG B 220 ? 0.0962 0.1372 0.1443 0.0044 0.0261 0.0157 300 ARG B C 4763 O O . ARG B 220 ? 0.1016 0.1476 0.1650 -0.0032 0.0500 0.0326 300 ARG B O 4764 C CB . ARG B 220 ? 0.0703 0.1194 0.1242 0.0125 0.0242 -0.0158 300 ARG B CB 4765 C CG . ARG B 220 ? 0.0612 0.1451 0.1066 0.0280 0.0385 -0.0182 300 ARG B CG 4766 C CD . ARG B 220 ? 0.0753 0.1591 0.1106 0.0313 0.0372 -0.0097 300 ARG B CD 4767 N NE . ARG B 220 ? 0.0708 0.1506 0.1141 0.0042 0.0133 -0.0008 300 ARG B NE 4768 C CZ . ARG B 220 ? 0.0753 0.1281 0.1200 0.0055 0.0243 -0.0007 300 ARG B CZ 4769 N NH1 . ARG B 220 ? 0.0812 0.1124 0.1163 0.0086 0.0054 0.0088 300 ARG B NH1 4770 N NH2 . ARG B 220 ? 0.0840 0.1324 0.1212 0.0118 0.0073 0.0016 300 ARG B NH2 4771 N N . PRO B 221 ? 0.1024 0.1202 0.1162 -0.0039 0.0274 0.0013 301 PRO B N 4772 C CA . PRO B 221 ? 0.1216 0.1259 0.1345 -0.0006 0.0170 0.0012 301 PRO B CA 4773 C C . PRO B 221 ? 0.1086 0.1639 0.1448 0.0111 -0.0043 -0.0131 301 PRO B C 4774 O O . PRO B 221 ? 0.0956 0.1577 0.1502 0.0126 0.0088 -0.0235 301 PRO B O 4775 C CB . PRO B 221 ? 0.1335 0.1157 0.1507 -0.0006 0.0204 0.0018 301 PRO B CB 4776 C CG . PRO B 221 ? 0.1464 0.1173 0.1235 -0.0080 0.0194 0.0071 301 PRO B CG 4777 C CD . PRO B 221 ? 0.1282 0.0968 0.1267 -0.0073 0.0200 0.0115 301 PRO B CD 4778 N N . ILE B 222 ? 0.1113 0.1801 0.0834 0.0164 0.0028 -0.0128 302 ILE B N 4779 C CA . ILE B 222 ? 0.1327 0.1919 0.1340 0.0119 -0.0295 -0.0128 302 ILE B CA 4780 C C . ILE B 222 ? 0.1373 0.1914 0.1623 0.0284 -0.0232 -0.0183 302 ILE B C 4781 O O . ILE B 222 ? 0.1422 0.2144 0.2027 0.0558 -0.0391 -0.0497 302 ILE B O 4782 C CB . ILE B 222 ? 0.1811 0.2081 0.1449 -0.0206 -0.0255 -0.0011 302 ILE B CB 4783 C CG1 . ILE B 222 ? 0.2097 0.2242 0.1920 -0.0175 -0.0001 -0.0339 302 ILE B CG1 4784 C CG2 . ILE B 222 ? 0.1701 0.2136 0.1786 -0.0103 -0.0221 -0.0344 302 ILE B CG2 4785 C CD1 . ILE B 222 ? 0.2468 0.2445 0.2393 -0.0175 0.0006 -0.0387 302 ILE B CD1 4786 N N . LEU B 223 ? 0.1181 0.1738 0.1436 0.0088 -0.0304 0.0023 303 LEU B N 4787 C CA . LEU B 223 ? 0.1285 0.1780 0.1262 -0.0004 -0.0265 0.0126 303 LEU B CA 4788 C C . LEU B 223 ? 0.1523 0.1982 0.1156 0.0087 -0.0132 0.0045 303 LEU B C 4789 O O . LEU B 223 ? 0.1635 0.2125 0.1171 0.0288 -0.0207 0.0051 303 LEU B O 4790 C CB . LEU B 223 ? 0.1320 0.1508 0.1461 -0.0258 -0.0135 0.0050 303 LEU B CB 4791 C CG . LEU B 223 ? 0.1226 0.1441 0.1749 -0.0077 0.0118 -0.0189 303 LEU B CG 4792 C CD1 . LEU B 223 ? 0.1323 0.1368 0.1898 -0.0023 0.0178 -0.0293 303 LEU B CD1 4793 C CD2 . LEU B 223 ? 0.1186 0.1381 0.2144 -0.0174 0.0024 -0.0202 303 LEU B CD2 4794 N N . ILE B 224 ? 0.1462 0.1906 0.0924 0.0167 0.0086 -0.0153 304 ILE B N 4795 C CA . ILE B 224 ? 0.1515 0.1949 0.0815 -0.0104 0.0032 -0.0194 304 ILE B CA 4796 C C . ILE B 224 ? 0.1481 0.1860 0.1101 0.0017 -0.0284 -0.0083 304 ILE B C 4797 O O . ILE B 224 ? 0.1684 0.1904 0.1434 0.0244 -0.0250 -0.0279 304 ILE B O 4798 C CB . ILE B 224 ? 0.1452 0.2045 0.1033 -0.0543 -0.0212 -0.0318 304 ILE B CB 4799 C CG1 . ILE B 224 ? 0.1504 0.2237 0.1736 -0.0688 0.0239 -0.0041 304 ILE B CG1 4800 C CG2 . ILE B 224 ? 0.1595 0.2147 0.1008 -0.0655 -0.0087 -0.0417 304 ILE B CG2 4801 C CD1 . ILE B 224 ? 0.1776 0.2712 0.2486 -0.0575 0.0288 -0.0047 304 ILE B CD1 4802 N N . PHE B 225 ? 0.1296 0.1647 0.0851 -0.0216 -0.0093 0.0072 305 PHE B N 4803 C CA . PHE B 225 ? 0.1345 0.1687 0.0735 -0.0010 -0.0134 0.0112 305 PHE B CA 4804 C C . PHE B 225 ? 0.1610 0.1696 0.1056 -0.0068 -0.0056 0.0112 305 PHE B C 4805 O O . PHE B 225 ? 0.1645 0.1698 0.1181 0.0016 -0.0222 -0.0054 305 PHE B O 4806 C CB . PHE B 225 ? 0.1100 0.1716 0.1080 0.0029 0.0084 0.0056 305 PHE B CB 4807 C CG . PHE B 225 ? 0.1184 0.1659 0.0935 0.0287 0.0043 0.0035 305 PHE B CG 4808 C CD1 . PHE B 225 ? 0.1128 0.1462 0.1182 0.0351 -0.0296 -0.0084 305 PHE B CD1 4809 C CD2 . PHE B 225 ? 0.1165 0.1671 0.1123 0.0383 0.0396 0.0135 305 PHE B CD2 4810 C CE1 . PHE B 225 ? 0.1433 0.1658 0.1222 0.0253 -0.0166 -0.0206 305 PHE B CE1 4811 C CE2 . PHE B 225 ? 0.1396 0.1637 0.1061 0.0345 -0.0080 0.0152 305 PHE B CE2 4812 C CZ . PHE B 225 ? 0.1344 0.1676 0.1301 0.0273 0.0063 -0.0142 305 PHE B CZ 4813 N N . ASP B 226 ? 0.1833 0.1598 0.1018 -0.0072 -0.0077 0.0096 306 ASP B N 4814 C CA . ASP B 226 ? 0.1645 0.1750 0.1190 -0.0092 -0.0117 0.0092 306 ASP B CA 4815 C C . ASP B 226 ? 0.1666 0.1533 0.1217 0.0078 -0.0043 0.0078 306 ASP B C 4816 O O . ASP B 226 ? 0.1602 0.1379 0.1165 0.0412 0.0355 0.0071 306 ASP B O 4817 C CB . ASP B 226 ? 0.1723 0.2051 0.2039 -0.0189 0.0214 0.0031 306 ASP B CB 4818 C CG . ASP B 226 ? 0.1779 0.2412 0.2369 -0.0087 0.0530 0.0062 306 ASP B CG 4819 O OD1 . ASP B 226 ? 0.1851 0.2292 0.1839 -0.0034 0.0238 0.0119 306 ASP B OD1 4820 O OD2 . ASP B 226 ? 0.2116 0.2735 0.2889 -0.0158 0.0762 -0.0005 306 ASP B OD2 4821 N N . GLU B 227 ? 0.1710 0.1662 0.1177 0.0121 -0.0109 -0.0256 308 GLU B N 4822 C CA . GLU B 227 ? 0.1697 0.1714 0.1283 -0.0011 0.0246 -0.0023 308 GLU B CA 4823 C C . GLU B 227 ? 0.1688 0.1604 0.1320 0.0008 0.0278 0.0049 308 GLU B C 4824 O O . GLU B 227 ? 0.1579 0.1716 0.1652 -0.0062 0.0349 0.0055 308 GLU B O 4825 C CB . GLU B 227 ? 0.1944 0.2165 0.1357 0.0165 0.0410 0.0090 308 GLU B CB 4826 C CG . GLU B 227 ? 0.2562 0.2813 0.1975 0.0239 0.0424 0.0140 308 GLU B CG 4827 C CD . GLU B 227 ? 0.2978 0.3373 0.2967 0.0235 0.0612 0.0021 308 GLU B CD 4828 O OE1 . GLU B 227 ? 0.3136 0.3563 0.2748 0.0301 0.0976 -0.0218 308 GLU B OE1 4829 O OE2 . GLU B 227 ? 0.2963 0.3497 0.3565 0.0160 0.0462 0.0229 308 GLU B OE2 4830 N N . ASP B 228 ? 0.1567 0.1441 0.1230 0.0052 0.0180 0.0031 309 ASP B N 4831 C CA . ASP B 228 ? 0.1528 0.1489 0.1075 0.0255 0.0127 -0.0086 309 ASP B CA 4832 C C . ASP B 228 ? 0.1498 0.1517 0.1355 0.0302 0.0302 -0.0119 309 ASP B C 4833 O O . ASP B 228 ? 0.1630 0.1689 0.1406 0.0406 0.0220 -0.0019 309 ASP B O 4834 C CB . ASP B 228 ? 0.1652 0.1697 0.1210 0.0236 0.0197 -0.0207 309 ASP B CB 4835 C CG . ASP B 228 ? 0.1639 0.1928 0.1764 -0.0046 0.0284 0.0025 309 ASP B CG 4836 O OD1 . ASP B 228 ? 0.1544 0.1803 0.1870 -0.0121 0.0166 -0.0229 309 ASP B OD1 4837 O OD2 . ASP B 228 ? 0.1750 0.2247 0.1674 -0.0211 0.0339 0.0048 309 ASP B OD2 4838 N N . LEU B 229 ? 0.1404 0.1691 0.1295 0.0096 0.0151 -0.0196 310 LEU B N 4839 C CA . LEU B 229 ? 0.1285 0.1760 0.1422 0.0043 0.0019 -0.0078 310 LEU B CA 4840 C C . LEU B 229 ? 0.1428 0.1922 0.1605 -0.0005 0.0137 0.0002 310 LEU B C 4841 O O . LEU B 229 ? 0.1456 0.2025 0.1864 0.0246 0.0083 0.0217 310 LEU B O 4842 C CB . LEU B 229 ? 0.1187 0.1496 0.1516 -0.0058 0.0066 -0.0138 310 LEU B CB 4843 C CG . LEU B 229 ? 0.1312 0.1242 0.1489 0.0094 0.0035 -0.0245 310 LEU B CG 4844 C CD1 . LEU B 229 ? 0.1309 0.1440 0.1265 -0.0092 0.0112 0.0051 310 LEU B CD1 4845 C CD2 . LEU B 229 ? 0.1515 0.1172 0.2013 0.0123 0.0063 -0.0216 310 LEU B CD2 4846 N N . ASP B 230 ? 0.1668 0.1914 0.1384 -0.0144 0.0050 -0.0260 311 ASP B N 4847 C CA . ASP B 230 ? 0.1929 0.2064 0.1621 -0.0153 0.0126 -0.0388 311 ASP B CA 4848 C C . ASP B 230 ? 0.1787 0.1966 0.1682 -0.0170 -0.0078 -0.0181 311 ASP B C 4849 O O . ASP B 230 ? 0.1795 0.1792 0.2164 -0.0174 -0.0254 -0.0097 311 ASP B O 4850 C CB . ASP B 230 ? 0.2567 0.2582 0.1846 -0.0156 0.0218 -0.0698 311 ASP B CB 4851 C CG . ASP B 230 ? 0.3357 0.3129 0.2641 -0.0321 0.0533 -0.0646 311 ASP B CG 4852 O OD1 . ASP B 230 ? 0.3534 0.3065 0.2800 -0.0325 0.0727 -0.0549 311 ASP B OD1 4853 O OD2 . ASP B 230 ? 0.3772 0.3615 0.2855 -0.0418 0.0481 -0.0811 311 ASP B OD2 4854 N N . TYR B 231 ? 0.1536 0.1879 0.1361 -0.0073 -0.0065 -0.0352 312 TYR B N 4855 C CA . TYR B 231 ? 0.1361 0.1841 0.1388 -0.0046 0.0084 -0.0296 312 TYR B CA 4856 C C . TYR B 231 ? 0.1291 0.1840 0.1590 0.0126 0.0225 -0.0264 312 TYR B C 4857 O O . TYR B 231 ? 0.1280 0.1828 0.1845 0.0182 0.0272 -0.0101 312 TYR B O 4858 C CB . TYR B 231 ? 0.1337 0.1823 0.1393 0.0200 -0.0079 -0.0231 312 TYR B CB 4859 C CG . TYR B 231 ? 0.1340 0.1732 0.1426 0.0423 -0.0081 -0.0276 312 TYR B CG 4860 C CD1 . TYR B 231 ? 0.1540 0.1884 0.1613 0.0626 0.0104 -0.0330 312 TYR B CD1 4861 C CD2 . TYR B 231 ? 0.1414 0.1797 0.1671 0.0410 -0.0040 -0.0142 312 TYR B CD2 4862 C CE1 . TYR B 231 ? 0.1580 0.1843 0.1625 0.0557 0.0041 -0.0002 312 TYR B CE1 4863 C CE2 . TYR B 231 ? 0.1501 0.1959 0.1587 0.0301 -0.0186 -0.0063 312 TYR B CE2 4864 C CZ . TYR B 231 ? 0.1585 0.1996 0.1689 0.0354 -0.0020 0.0064 312 TYR B CZ 4865 O OH . TYR B 231 ? 0.1551 0.2002 0.1853 0.0156 0.0088 -0.0012 312 TYR B OH 4866 N N . GLU B 232 ? 0.1425 0.1892 0.1468 0.0021 0.0195 -0.0385 313 GLU B N 4867 C CA . GLU B 232 ? 0.1672 0.2096 0.1334 0.0024 0.0105 -0.0218 313 GLU B CA 4868 C C . GLU B 232 ? 0.1670 0.1948 0.1296 0.0224 -0.0005 -0.0096 313 GLU B C 4869 O O . GLU B 232 ? 0.1630 0.2089 0.1461 0.0326 -0.0168 -0.0297 313 GLU B O 4870 C CB . GLU B 232 ? 0.2196 0.2777 0.1938 -0.0153 0.0338 0.0349 313 GLU B CB 4871 C CG . GLU B 232 ? 0.2839 0.3400 0.3451 -0.0168 0.0119 0.0789 313 GLU B CG 4872 C CD . GLU B 232 ? 0.3377 0.4083 0.4939 -0.0246 -0.0085 0.0937 313 GLU B CD 4873 O OE1 . GLU B 232 ? 0.3577 0.4443 0.5712 -0.0348 -0.0374 0.0945 313 GLU B OE1 4874 O OE2 . GLU B 232 ? 0.3675 0.4185 0.5084 -0.0064 -0.0046 0.1067 313 GLU B OE2 4875 N N . VAL B 233 ? 0.1704 0.1775 0.1066 0.0025 0.0002 -0.0060 314 VAL B N 4876 C CA . VAL B 233 ? 0.1639 0.1478 0.1219 0.0145 0.0134 -0.0007 314 VAL B CA 4877 C C . VAL B 233 ? 0.1641 0.1574 0.1354 0.0323 -0.0019 -0.0057 314 VAL B C 4878 O O . VAL B 233 ? 0.1670 0.1883 0.1694 0.0517 -0.0093 -0.0249 314 VAL B O 4879 C CB . VAL B 233 ? 0.1594 0.1309 0.1545 0.0165 0.0256 -0.0156 314 VAL B CB 4880 C CG1 . VAL B 233 ? 0.1849 0.1211 0.1946 0.0217 0.0002 -0.0064 314 VAL B CG1 4881 C CG2 . VAL B 233 ? 0.1449 0.1605 0.1748 0.0208 0.0414 -0.0137 314 VAL B CG2 4882 N N . GLY B 234 ? 0.1586 0.1650 0.1163 0.0177 -0.0180 -0.0118 315 GLY B N 4883 C CA . GLY B 234 ? 0.1384 0.1532 0.1086 0.0218 -0.0062 -0.0300 315 GLY B CA 4884 C C . GLY B 234 ? 0.1292 0.1347 0.1051 0.0313 -0.0008 -0.0210 315 GLY B C 4885 O O . GLY B 234 ? 0.1240 0.1364 0.1264 0.0304 -0.0172 -0.0173 315 GLY B O 4886 N N . TYR B 235 ? 0.1252 0.1168 0.1423 0.0133 0.0223 -0.0257 316 TYR B N 4887 C CA . TYR B 235 ? 0.1302 0.1239 0.1411 0.0199 0.0032 -0.0029 316 TYR B CA 4888 C C . TYR B 235 ? 0.1273 0.1298 0.1623 0.0042 0.0248 0.0023 316 TYR B C 4889 O O . TYR B 235 ? 0.1266 0.1515 0.1712 -0.0079 0.0361 -0.0078 316 TYR B O 4890 C CB . TYR B 235 ? 0.1051 0.1377 0.1179 0.0099 0.0007 0.0078 316 TYR B CB 4891 C CG . TYR B 235 ? 0.1360 0.1383 0.1475 0.0152 -0.0123 0.0360 316 TYR B CG 4892 C CD1 . TYR B 235 ? 0.1666 0.1575 0.1800 0.0114 -0.0149 0.0482 316 TYR B CD1 4893 C CD2 . TYR B 235 ? 0.1478 0.1398 0.1403 0.0227 -0.0004 0.0271 316 TYR B CD2 4894 C CE1 . TYR B 235 ? 0.1793 0.1459 0.1871 0.0176 -0.0018 0.0598 316 TYR B CE1 4895 C CE2 . TYR B 235 ? 0.1621 0.1280 0.1472 0.0301 -0.0142 0.0353 316 TYR B CE2 4896 C CZ . TYR B 235 ? 0.1795 0.1275 0.1670 0.0352 -0.0034 0.0456 316 TYR B CZ 4897 O OH . TYR B 235 ? 0.2074 0.1330 0.1705 0.0226 0.0100 -0.0025 316 TYR B OH 4898 N N . LEU B 236 ? 0.1193 0.1193 0.1816 0.0184 0.0038 -0.0102 317 LEU B N 4899 C CA . LEU B 236 ? 0.1230 0.1179 0.1946 0.0188 0.0104 0.0104 317 LEU B CA 4900 C C . LEU B 236 ? 0.1246 0.1427 0.2096 -0.0025 0.0134 0.0050 317 LEU B C 4901 O O . LEU B 236 ? 0.1172 0.1680 0.2319 -0.0075 -0.0031 0.0296 317 LEU B O 4902 C CB . LEU B 236 ? 0.1639 0.1371 0.1754 0.0208 0.0091 -0.0076 317 LEU B CB 4903 C CG . LEU B 236 ? 0.1874 0.1652 0.1951 0.0297 0.0034 0.0028 317 LEU B CG 4904 C CD1 . LEU B 236 ? 0.1973 0.1931 0.1887 0.0176 -0.0011 0.0271 317 LEU B CD1 4905 C CD2 . LEU B 236 ? 0.1898 0.1716 0.2359 0.0482 0.0083 -0.0286 317 LEU B CD2 4906 N N . CYS B 237 ? 0.1253 0.1461 0.2084 -0.0306 0.0231 0.0108 318 CYS B N 4907 C CA . CYS B 237 ? 0.1630 0.1937 0.2281 -0.0222 0.0158 -0.0107 318 CYS B CA 4908 C C . CYS B 237 ? 0.1614 0.1990 0.2283 -0.0059 0.0001 -0.0068 318 CYS B C 4909 O O . CYS B 237 ? 0.1421 0.2040 0.2497 0.0257 0.0027 -0.0086 318 CYS B O 4910 C CB . CYS B 237 ? 0.2273 0.2491 0.2687 0.0030 0.0187 -0.0022 318 CYS B CB 4911 S SG . CYS B 237 ? 0.2904 0.2939 0.3367 0.0251 0.0121 0.0292 318 CYS B SG 4912 N N . ALA B 238 ? 0.1597 0.1786 0.2194 -0.0141 0.0200 -0.0058 319 ALA B N 4913 C CA . ALA B 238 ? 0.1597 0.1743 0.2052 -0.0052 -0.0055 0.0070 319 ALA B CA 4914 C C . ALA B 238 ? 0.1565 0.1855 0.2343 -0.0016 -0.0232 0.0016 319 ALA B C 4915 O O . ALA B 238 ? 0.1594 0.1894 0.2609 0.0181 -0.0398 -0.0117 319 ALA B O 4916 C CB . ALA B 238 ? 0.1544 0.1628 0.1934 0.0031 0.0000 0.0197 319 ALA B CB 4917 N N . GLY B 239 ? 0.1440 0.1997 0.2353 -0.0151 -0.0192 0.0034 320 GLY B N 4918 C CA . GLY B 239 ? 0.1302 0.2012 0.2358 0.0038 -0.0139 -0.0126 320 GLY B CA 4919 C C . GLY B 239 ? 0.1214 0.1907 0.2433 0.0057 -0.0105 -0.0069 320 GLY B C 4920 O O . GLY B 239 ? 0.1290 0.1748 0.2755 -0.0065 -0.0147 -0.0142 320 GLY B O 4921 N N . ILE B 240 ? 0.0948 0.1919 0.2365 0.0259 0.0149 0.0139 321 ILE B N 4922 C CA . ILE B 240 ? 0.1131 0.1999 0.2237 0.0034 0.0037 0.0237 321 ILE B CA 4923 C C . ILE B 240 ? 0.0994 0.2013 0.2117 -0.0049 -0.0156 0.0405 321 ILE B C 4924 O O . ILE B 240 ? 0.1136 0.2260 0.2233 -0.0027 -0.0282 0.0267 321 ILE B O 4925 C CB . ILE B 240 ? 0.1344 0.1817 0.2339 -0.0094 -0.0115 0.0101 321 ILE B CB 4926 C CG1 . ILE B 240 ? 0.1553 0.1793 0.2589 -0.0107 -0.0444 0.0211 321 ILE B CG1 4927 C CG2 . ILE B 240 ? 0.1500 0.1867 0.2743 -0.0226 -0.0089 0.0088 321 ILE B CG2 4928 C CD1 . ILE B 240 ? 0.1479 0.1633 0.2712 -0.0267 -0.0593 0.0169 321 ILE B CD1 4929 N N . PRO B 241 ? 0.0914 0.1931 0.1817 -0.0034 -0.0319 0.0230 322 PRO B N 4930 C CA . PRO B 241 ? 0.0837 0.1875 0.1689 0.0068 -0.0225 0.0440 322 PRO B CA 4931 C C . PRO B 241 ? 0.0833 0.1607 0.1558 0.0172 -0.0217 0.0164 322 PRO B C 4932 O O . PRO B 241 ? 0.1031 0.1713 0.1543 0.0054 -0.0090 -0.0347 322 PRO B O 4933 C CB . PRO B 241 ? 0.0950 0.1988 0.1669 0.0070 -0.0369 0.0231 322 PRO B CB 4934 C CG . PRO B 241 ? 0.0848 0.1986 0.1790 -0.0106 -0.0313 0.0167 322 PRO B CG 4935 C CD . PRO B 241 ? 0.0914 0.1869 0.1622 -0.0117 -0.0283 0.0261 322 PRO B CD 4936 N N . THR B 242 ? 0.0662 0.1320 0.1602 0.0098 -0.0136 0.0230 323 THR B N 4937 C CA . THR B 242 ? 0.0744 0.1592 0.1442 0.0038 -0.0121 0.0263 323 THR B CA 4938 C C . THR B 242 ? 0.1044 0.1415 0.1385 -0.0096 -0.0131 0.0253 323 THR B C 4939 O O . THR B 242 ? 0.1083 0.1560 0.1769 -0.0171 -0.0429 0.0128 323 THR B O 4940 C CB . THR B 242 ? 0.0959 0.1506 0.1414 -0.0108 0.0124 0.0088 323 THR B CB 4941 O OG1 . THR B 242 ? 0.1266 0.1371 0.1455 0.0033 0.0213 -0.0030 323 THR B OG1 4942 C CG2 . THR B 242 ? 0.1081 0.1714 0.1375 -0.0276 -0.0044 0.0154 323 THR B CG2 4943 N N . ASP B 243 ? 0.1185 0.1275 0.1372 -0.0002 -0.0007 0.0000 324 ASP B N 4944 C CA . ASP B 243 ? 0.1055 0.1123 0.1473 -0.0007 0.0200 -0.0015 324 ASP B CA 4945 C C . ASP B 243 ? 0.1118 0.1202 0.1456 0.0029 -0.0032 0.0019 324 ASP B C 4946 O O . ASP B 243 ? 0.1325 0.1214 0.1688 0.0295 0.0036 -0.0062 324 ASP B O 4947 C CB . ASP B 243 ? 0.1123 0.0979 0.1478 -0.0118 0.0397 0.0077 324 ASP B CB 4948 C CG . ASP B 243 ? 0.1467 0.1146 0.1459 0.0100 -0.0156 -0.0033 324 ASP B CG 4949 O OD1 . ASP B 243 ? 0.1169 0.1121 0.1201 0.0144 -0.0271 0.0066 324 ASP B OD1 4950 O OD2 . ASP B 243 ? 0.1488 0.1304 0.1532 0.0055 -0.0070 -0.0037 324 ASP B OD2 4951 N N . THR B 244 ? 0.0947 0.1279 0.1126 0.0065 0.0080 -0.0053 325 THR B N 4952 C CA . THR B 244 ? 0.0997 0.1216 0.1191 0.0008 -0.0056 -0.0199 325 THR B CA 4953 C C . THR B 244 ? 0.0925 0.1370 0.1275 0.0202 -0.0133 0.0126 325 THR B C 4954 O O . THR B 244 ? 0.0796 0.1406 0.1582 0.0308 -0.0184 -0.0131 325 THR B O 4955 C CB . THR B 244 ? 0.1376 0.1190 0.1240 0.0115 -0.0063 -0.0336 325 THR B CB 4956 O OG1 . THR B 244 ? 0.1442 0.1188 0.1427 0.0273 0.0177 -0.0127 325 THR B OG1 4957 C CG2 . THR B 244 ? 0.1470 0.1223 0.1214 0.0057 0.0102 -0.0618 325 THR B CG2 4958 N N . PRO B 245 ? 0.0968 0.1552 0.1333 0.0023 -0.0422 0.0211 326 PRO B N 4959 C CA . PRO B 245 ? 0.1001 0.1592 0.1226 0.0095 -0.0550 0.0177 326 PRO B CA 4960 C C . PRO B 245 ? 0.0976 0.1438 0.1515 0.0045 -0.0611 0.0063 326 PRO B C 4961 O O . PRO B 245 ? 0.1008 0.1384 0.1709 0.0059 -0.0291 -0.0027 326 PRO B O 4962 C CB . PRO B 245 ? 0.1280 0.1611 0.1465 0.0113 -0.0580 0.0216 326 PRO B CB 4963 C CG . PRO B 245 ? 0.1113 0.1727 0.1743 0.0042 -0.0525 0.0462 326 PRO B CG 4964 C CD . PRO B 245 ? 0.1004 0.1677 0.1459 0.0134 -0.0400 0.0465 326 PRO B CD 4965 N N . ARG B 246 ? 0.0894 0.1456 0.1764 0.0033 -0.0631 0.0010 327 ARG B N 4966 C CA . ARG B 246 ? 0.0958 0.1443 0.1587 0.0060 -0.0504 -0.0113 327 ARG B CA 4967 C C . ARG B 246 ? 0.1243 0.1668 0.1662 0.0034 -0.0450 -0.0269 327 ARG B C 4968 O O . ARG B 246 ? 0.1524 0.1918 0.1724 0.0053 -0.0294 -0.0253 327 ARG B O 4969 C CB . ARG B 246 ? 0.1005 0.1218 0.1490 0.0319 -0.0414 0.0116 327 ARG B CB 4970 C CG . ARG B 246 ? 0.1274 0.1284 0.1202 0.0278 -0.0215 0.0097 327 ARG B CG 4971 C CD . ARG B 246 ? 0.1283 0.1086 0.1623 0.0323 -0.0194 0.0021 327 ARG B CD 4972 N NE . ARG B 246 ? 0.1277 0.1136 0.1605 0.0494 -0.0267 -0.0247 327 ARG B NE 4973 C CZ . ARG B 246 ? 0.1289 0.1128 0.1735 0.0217 -0.0182 -0.0114 327 ARG B CZ 4974 N NH1 . ARG B 246 ? 0.1192 0.1320 0.1713 0.0056 -0.0126 -0.0107 327 ARG B NH1 4975 N NH2 . ARG B 246 ? 0.1533 0.1210 0.1448 0.0099 -0.0159 0.0003 327 ARG B NH2 4976 N N . VAL B 247 ? 0.1140 0.1820 0.1924 0.0121 -0.0422 -0.0271 328 VAL B N 4977 C CA . VAL B 247 ? 0.1120 0.2049 0.2301 0.0144 -0.0477 -0.0277 328 VAL B CA 4978 C C . VAL B 247 ? 0.1099 0.2119 0.2115 0.0044 -0.0510 -0.0170 328 VAL B C 4979 O O . VAL B 247 ? 0.1069 0.2112 0.1830 -0.0017 -0.0584 -0.0185 328 VAL B O 4980 C CB . VAL B 247 ? 0.1205 0.2042 0.2439 0.0243 -0.0396 -0.0147 328 VAL B CB 4981 C CG1 . VAL B 247 ? 0.1340 0.2007 0.2594 0.0215 -0.0233 -0.0017 328 VAL B CG1 4982 C CG2 . VAL B 247 ? 0.1235 0.2105 0.2845 0.0256 -0.0367 -0.0270 328 VAL B CG2 4983 N N . GLN B 248 ? 0.1251 0.2062 0.2308 -0.0206 -0.0423 -0.0201 329 GLN B N 4984 C CA . GLN B 248 ? 0.1504 0.2316 0.2583 -0.0177 -0.0502 -0.0206 329 GLN B CA 4985 C C . GLN B 248 ? 0.1223 0.2167 0.2427 -0.0120 -0.0234 0.0095 329 GLN B C 4986 O O . GLN B 248 ? 0.1288 0.2173 0.2536 -0.0176 -0.0253 0.0022 329 GLN B O 4987 C CB . GLN B 248 ? 0.1759 0.2708 0.3468 -0.0298 -0.0900 -0.0561 329 GLN B CB 4988 C CG . GLN B 248 ? 0.2470 0.3311 0.4278 -0.0205 -0.0672 -0.0619 329 GLN B CG 4989 C CD . GLN B 248 ? 0.3107 0.3860 0.5439 -0.0015 -0.0642 -0.0404 329 GLN B CD 4990 O OE1 . GLN B 248 ? 0.3437 0.4159 0.5993 0.0097 -0.0549 -0.0672 329 GLN B OE1 4991 N NE2 . GLN B 248 ? 0.3367 0.4130 0.5806 0.0016 -0.0542 -0.0154 329 GLN B NE2 4992 N N . ASP B 249 ? 0.1252 0.2107 0.2663 -0.0194 -0.0046 0.0335 330 ASP B N 4993 C CA . ASP B 249 ? 0.1113 0.2171 0.2699 -0.0124 -0.0017 0.0396 330 ASP B CA 4994 C C . ASP B 249 ? 0.1138 0.2429 0.2826 -0.0055 -0.0076 0.0109 330 ASP B C 4995 O O . ASP B 249 ? 0.1067 0.2672 0.3001 0.0038 -0.0020 -0.0033 330 ASP B O 4996 C CB . ASP B 249 ? 0.1136 0.2200 0.2642 -0.0292 -0.0254 0.0660 330 ASP B CB 4997 C CG . ASP B 249 ? 0.1153 0.2188 0.2708 -0.0281 -0.0046 0.0505 330 ASP B CG 4998 O OD1 . ASP B 249 ? 0.1118 0.2170 0.2686 -0.0387 -0.0056 0.0323 330 ASP B OD1 4999 O OD2 . ASP B 249 ? 0.1216 0.2376 0.3259 -0.0411 -0.0386 0.0310 330 ASP B OD2 5000 N N . SER B 250 ? 0.1287 0.2510 0.2801 -0.0054 -0.0169 0.0046 331 SER B N 5001 C CA . SER B 250 ? 0.1387 0.2677 0.2917 -0.0198 -0.0296 0.0007 331 SER B CA 5002 C C . SER B 250 ? 0.1573 0.2746 0.3078 0.0024 -0.0219 0.0012 331 SER B C 5003 O O . SER B 250 ? 0.1726 0.2889 0.3758 0.0111 -0.0139 0.0151 331 SER B O 5004 C CB . SER B 250 ? 0.1499 0.2904 0.3167 -0.0446 -0.0309 -0.0294 331 SER B CB 5005 O OG . SER B 250 ? 0.1675 0.3149 0.3489 -0.0546 -0.0370 -0.0172 331 SER B OG 5006 N N . SER B 251 ? 0.1787 0.2772 0.2570 0.0095 -0.0437 -0.0278 332 SER B N 5007 C CA . SER B 251 ? 0.1972 0.2867 0.2424 0.0065 -0.0305 -0.0177 332 SER B CA 5008 C C . SER B 251 ? 0.1713 0.2805 0.2398 0.0175 -0.0382 -0.0100 332 SER B C 5009 O O . SER B 251 ? 0.1844 0.2955 0.2625 0.0334 -0.0576 -0.0048 332 SER B O 5010 C CB . SER B 251 ? 0.2263 0.2962 0.2256 -0.0067 -0.0239 -0.0234 332 SER B CB 5011 O OG . SER B 251 ? 0.2536 0.3134 0.2492 0.0065 -0.0380 -0.0281 332 SER B OG 5012 N N . PHE B 252 ? 0.1318 0.2722 0.2054 0.0094 -0.0239 0.0141 333 PHE B N 5013 C CA . PHE B 252 ? 0.1057 0.2785 0.2199 0.0020 -0.0339 0.0092 333 PHE B CA 5014 C C . PHE B 252 ? 0.1280 0.2872 0.2447 -0.0015 -0.0281 -0.0132 333 PHE B C 5015 O O . PHE B 252 ? 0.1531 0.2891 0.2641 0.0039 0.0015 -0.0211 333 PHE B O 5016 C CB . PHE B 252 ? 0.0957 0.2689 0.2481 -0.0040 -0.0548 0.0098 333 PHE B CB 5017 C CG . PHE B 252 ? 0.1074 0.2404 0.2573 -0.0130 -0.0201 -0.0060 333 PHE B CG 5018 C CD1 . PHE B 252 ? 0.1118 0.2253 0.2653 0.0047 -0.0102 0.0091 333 PHE B CD1 5019 C CD2 . PHE B 252 ? 0.0995 0.2232 0.2341 -0.0092 -0.0343 -0.0081 333 PHE B CD2 5020 C CE1 . PHE B 252 ? 0.1040 0.2096 0.2348 0.0078 0.0152 0.0096 333 PHE B CE1 5021 C CE2 . PHE B 252 ? 0.0984 0.2139 0.2348 -0.0123 -0.0178 -0.0035 333 PHE B CE2 5022 C CZ . PHE B 252 ? 0.0984 0.2176 0.2222 0.0041 -0.0116 0.0063 333 PHE B CZ 5023 N N . THR B 253 ? 0.1369 0.2926 0.2336 -0.0015 -0.0276 -0.0255 334 THR B N 5024 C CA . THR B 253 ? 0.1501 0.3024 0.2384 0.0028 -0.0270 -0.0393 334 THR B CA 5025 C C . THR B 253 ? 0.1597 0.2895 0.2364 -0.0031 -0.0208 -0.0352 334 THR B C 5026 O O . THR B 253 ? 0.1707 0.3025 0.2695 -0.0244 -0.0015 -0.0075 334 THR B O 5027 C CB . THR B 253 ? 0.1772 0.3189 0.2816 0.0247 -0.0165 -0.0437 334 THR B CB 5028 O OG1 . THR B 253 ? 0.1899 0.3275 0.3245 0.0359 -0.0380 -0.0281 334 THR B OG1 5029 C CG2 . THR B 253 ? 0.1779 0.3259 0.2802 0.0296 0.0095 -0.0469 334 THR B CG2 5030 N N . GLY B 254 ? 0.1559 0.2675 0.2372 0.0182 -0.0324 -0.0330 335 GLY B N 5031 C CA . GLY B 254 ? 0.1425 0.2383 0.2330 -0.0037 -0.0284 -0.0473 335 GLY B CA 5032 C C . GLY B 254 ? 0.1331 0.2301 0.2556 0.0065 -0.0034 -0.0499 335 GLY B C 5033 O O . GLY B 254 ? 0.1548 0.2386 0.3056 0.0061 0.0025 -0.0376 335 GLY B O 5034 N N . SER B 255 ? 0.1388 0.2099 0.2411 0.0024 -0.0111 -0.0603 336 SER B N 5035 C CA . SER B 255 ? 0.1598 0.1922 0.2304 0.0212 -0.0134 -0.0383 336 SER B CA 5036 C C . SER B 255 ? 0.1751 0.1762 0.2517 0.0151 0.0074 -0.0272 336 SER B C 5037 O O . SER B 255 ? 0.1614 0.1811 0.2678 0.0103 0.0020 -0.0539 336 SER B O 5038 C CB . SER B 255 ? 0.1757 0.1923 0.2285 0.0241 -0.0048 -0.0198 336 SER B CB 5039 O OG . SER B 255 ? 0.1775 0.2113 0.2481 0.0097 -0.0114 -0.0318 336 SER B OG 5040 N N . CYS B 256 ? 0.2134 0.1817 0.2260 0.0109 0.0228 -0.0270 337 CYS B N 5041 C CA . CYS B 256 ? 0.2234 0.2215 0.2399 0.0099 0.0162 0.0058 337 CYS B CA 5042 C C . CYS B 256 ? 0.1966 0.2237 0.2264 0.0153 0.0169 -0.0228 337 CYS B C 5043 O O . CYS B 256 ? 0.1587 0.2316 0.2528 0.0157 -0.0087 -0.0199 337 CYS B O 5044 C CB . CYS B 256 ? 0.2870 0.2771 0.3155 -0.0121 -0.0050 0.0518 337 CYS B CB 5045 S SG . CYS B 256 ? 0.3356 0.3530 0.3931 0.0142 0.0181 0.0448 337 CYS B SG 5046 N N . THR B 257 ? 0.2053 0.2210 0.2245 0.0102 0.0312 -0.0285 338 THR B N 5047 C CA . THR B 257 ? 0.2104 0.2198 0.2338 0.0124 0.0474 -0.0275 338 THR B CA 5048 C C . THR B 257 ? 0.2169 0.2075 0.2280 0.0162 0.0525 -0.0212 338 THR B C 5049 O O . THR B 257 ? 0.2473 0.2102 0.2374 0.0134 0.0760 -0.0327 338 THR B O 5050 C CB . THR B 257 ? 0.2221 0.2548 0.2580 0.0053 0.0568 0.0152 338 THR B CB 5051 O OG1 . THR B 257 ? 0.2365 0.2609 0.2274 0.0213 0.0399 0.0194 338 THR B OG1 5052 C CG2 . THR B 257 ? 0.2336 0.2706 0.2550 0.0174 0.0636 0.0365 338 THR B CG2 5053 N N . ASN B 258 ? 0.2088 0.2118 0.2088 0.0404 0.0446 -0.0012 339 ASN B N 5054 C CA . ASN B 258 ? 0.1968 0.2225 0.1846 0.0578 0.0584 -0.0136 339 ASN B CA 5055 C C . ASN B 258 ? 0.1598 0.2151 0.1671 0.0536 0.0145 0.0059 339 ASN B C 5056 O O . ASN B 258 ? 0.1535 0.2161 0.1744 0.0372 0.0146 0.0004 339 ASN B O 5057 C CB . ASN B 258 ? 0.2357 0.2588 0.2749 0.0646 0.0710 -0.0242 339 ASN B CB 5058 C CG . ASN B 258 ? 0.2992 0.3080 0.4348 0.0689 0.0918 -0.0384 339 ASN B CG 5059 O OD1 . ASN B 258 ? 0.3384 0.3556 0.5088 0.0577 0.0828 -0.0769 339 ASN B OD1 5060 N ND2 . ASN B 258 ? 0.3458 0.3352 0.5111 0.0866 0.0881 -0.0412 339 ASN B ND2 5061 N N . ALA B 259 ? 0.1500 0.2062 0.1460 0.0278 0.0068 -0.0245 340 ALA B N 5062 C CA . ALA B 259 ? 0.1391 0.2012 0.1474 0.0101 0.0075 -0.0052 340 ALA B CA 5063 C C . ALA B 259 ? 0.1383 0.2006 0.1665 0.0222 -0.0156 -0.0114 340 ALA B C 5064 O O . ALA B 259 ? 0.1756 0.2283 0.2065 0.0363 -0.0123 -0.0292 340 ALA B O 5065 C CB . ALA B 259 ? 0.1421 0.2038 0.1476 0.0035 0.0286 0.0031 340 ALA B CB 5066 N N . VAL B 260 ? 0.1093 0.1946 0.1323 0.0068 -0.0286 -0.0440 341 VAL B N 5067 C CA . VAL B 260 ? 0.1081 0.1804 0.1480 0.0037 -0.0100 -0.0329 341 VAL B CA 5068 C C . VAL B 260 ? 0.1130 0.1668 0.1708 0.0139 0.0073 -0.0100 341 VAL B C 5069 O O . VAL B 260 ? 0.1105 0.1800 0.2314 0.0164 0.0010 -0.0025 341 VAL B O 5070 C CB . VAL B 260 ? 0.1155 0.2047 0.1389 0.0102 -0.0062 -0.0232 341 VAL B CB 5071 C CG1 . VAL B 260 ? 0.1090 0.2226 0.1662 0.0106 -0.0321 -0.0225 341 VAL B CG1 5072 C CG2 . VAL B 260 ? 0.1188 0.2180 0.1966 0.0306 0.0169 -0.0278 341 VAL B CG2 5073 N N . GLY B 261 ? 0.1252 0.1736 0.1764 -0.0031 -0.0009 -0.0136 342 GLY B N 5074 C CA . GLY B 261 ? 0.1254 0.1882 0.1667 0.0063 0.0064 -0.0149 342 GLY B CA 5075 C C . GLY B 261 ? 0.1304 0.2118 0.1824 0.0170 0.0083 0.0054 342 GLY B C 5076 O O . GLY B 261 ? 0.1491 0.2390 0.2062 0.0246 -0.0198 0.0098 342 GLY B O 5077 N N . GLY B 262 ? 0.1319 0.2200 0.2204 0.0176 0.0041 0.0085 343 GLY B N 5078 C CA . GLY B 262 ? 0.1342 0.2340 0.1872 0.0189 -0.0300 -0.0238 343 GLY B CA 5079 C C . GLY B 262 ? 0.1531 0.2391 0.2000 0.0053 -0.0576 -0.0174 343 GLY B C 5080 O O . GLY B 262 ? 0.1559 0.2295 0.1964 0.0030 -0.0229 -0.0333 343 GLY B O 5081 N N . SER B 263 ? 0.1654 0.2499 0.2175 -0.0183 -0.0778 -0.0114 344 SER B N 5082 C CA . SER B 263 ? 0.1742 0.2590 0.2438 -0.0199 -0.0765 -0.0110 344 SER B CA 5083 C C . SER B 263 ? 0.1940 0.2533 0.2291 -0.0126 -0.0805 -0.0200 344 SER B C 5084 O O . SER B 263 ? 0.2270 0.2628 0.2719 -0.0233 -0.0785 -0.0427 344 SER B O 5085 C CB . SER B 263 ? 0.1726 0.2974 0.3131 -0.0263 -0.0577 -0.0080 344 SER B CB 5086 O OG . SER B 263 ? 0.1694 0.3215 0.3789 -0.0330 -0.0668 -0.0086 344 SER B OG 5087 N N . GLY B 264 ? 0.1873 0.2482 0.2103 0.0041 -0.0867 -0.0214 345 GLY B N 5088 C CA . GLY B 264 ? 0.1829 0.2521 0.2102 0.0019 -0.0747 -0.0190 345 GLY B CA 5089 C C . GLY B 264 ? 0.1819 0.2442 0.1879 0.0280 -0.0328 -0.0213 345 GLY B C 5090 O O . GLY B 264 ? 0.1992 0.2832 0.1642 0.0256 -0.0234 -0.0276 345 GLY B O 5091 N N . THR B 265 ? 0.1682 0.2000 0.1554 0.0128 -0.0238 -0.0327 346 THR B N 5092 C CA . THR B 265 ? 0.1427 0.1575 0.1366 0.0026 -0.0332 0.0058 346 THR B CA 5093 C C . THR B 265 ? 0.1202 0.1356 0.1694 0.0200 -0.0095 0.0179 346 THR B C 5094 O O . THR B 265 ? 0.1274 0.1440 0.1774 0.0107 -0.0010 0.0241 346 THR B O 5095 C CB . THR B 265 ? 0.1376 0.1426 0.1624 -0.0320 -0.0208 -0.0057 346 THR B CB 5096 O OG1 . THR B 265 ? 0.1576 0.1539 0.1555 -0.0408 -0.0265 0.0097 346 THR B OG1 5097 C CG2 . THR B 265 ? 0.1365 0.1450 0.1634 -0.0386 -0.0520 -0.0040 346 THR B CG2 5098 N N . ASN B 266 A 0.1160 0.1317 0.2096 0.0096 0.0056 0.0166 346 ASN B N 5099 C CA . ASN B 266 A 0.1028 0.1349 0.1892 0.0416 -0.0015 0.0045 346 ASN B CA 5100 C C . ASN B 266 A 0.1158 0.1392 0.1752 0.0315 -0.0319 0.0195 346 ASN B C 5101 O O . ASN B 266 A 0.1249 0.1793 0.1550 0.0162 -0.0125 0.0186 346 ASN B O 5102 C CB . ASN B 266 A 0.0873 0.1410 0.1977 0.0727 -0.0119 0.0280 346 ASN B CB 5103 C CG . ASN B 266 A 0.0825 0.1634 0.2211 0.0820 -0.0041 0.0448 346 ASN B CG 5104 O OD1 . ASN B 266 A 0.1169 0.2074 0.2596 0.0647 0.0060 0.0520 346 ASN B OD1 5105 N ND2 . ASN B 266 A 0.0869 0.1718 0.1990 0.0644 0.0015 0.0055 346 ASN B ND2 5106 N N . ASN B 267 B 0.1211 0.1066 0.1625 0.0110 -0.0549 0.0414 346 ASN B N 5107 C CA . ASN B 267 B 0.1159 0.1079 0.1519 0.0273 -0.0509 0.0629 346 ASN B CA 5108 C C . ASN B 267 B 0.1310 0.0985 0.1334 0.0254 -0.0241 0.0587 346 ASN B C 5109 O O . ASN B 267 B 0.1436 0.1223 0.1460 0.0169 -0.0177 0.0387 346 ASN B O 5110 C CB . ASN B 267 B 0.1310 0.1171 0.1688 0.0161 -0.0480 0.0431 346 ASN B CB 5111 C CG . ASN B 267 B 0.1437 0.1282 0.1765 0.0111 -0.0305 0.0204 346 ASN B CG 5112 O OD1 . ASN B 267 B 0.1687 0.1354 0.2131 0.0148 -0.0265 -0.0078 346 ASN B OD1 5113 N ND2 . ASN B 267 B 0.1331 0.1538 0.1579 -0.0088 -0.0555 0.0413 346 ASN B ND2 5114 N N . TYR B 268 ? 0.1270 0.1061 0.1231 0.0343 -0.0332 0.0269 347 TYR B N 5115 C CA . TYR B 268 ? 0.1322 0.1125 0.1170 0.0489 -0.0162 0.0134 347 TYR B CA 5116 C C . TYR B 268 ? 0.1146 0.1063 0.1287 0.0463 -0.0015 0.0002 347 TYR B C 5117 O O . TYR B 268 ? 0.1069 0.1226 0.1485 0.0271 -0.0454 -0.0019 347 TYR B O 5118 C CB . TYR B 268 ? 0.1284 0.1170 0.0977 0.0483 -0.0140 0.0216 347 TYR B CB 5119 C CG . TYR B 268 ? 0.1229 0.1281 0.1064 0.0366 -0.0218 0.0126 347 TYR B CG 5120 C CD1 . TYR B 268 ? 0.1212 0.1746 0.1306 0.0529 -0.0160 0.0293 347 TYR B CD1 5121 C CD2 . TYR B 268 ? 0.1295 0.1372 0.1597 0.0340 -0.0157 0.0167 347 TYR B CD2 5122 C CE1 . TYR B 268 ? 0.1191 0.1636 0.1463 0.0578 0.0068 0.0046 347 TYR B CE1 5123 C CE2 . TYR B 268 ? 0.1126 0.1401 0.1722 0.0266 -0.0035 0.0273 347 TYR B CE2 5124 C CZ . TYR B 268 ? 0.1110 0.1474 0.1502 0.0433 -0.0005 0.0296 347 TYR B CZ 5125 O OH . TYR B 268 ? 0.1228 0.1711 0.1769 0.0202 0.0059 0.0147 347 TYR B OH 5126 N N . GLY B 269 ? 0.1211 0.1118 0.0695 0.0324 -0.0286 0.0173 348 GLY B N 5127 C CA . GLY B 269 ? 0.1046 0.0908 0.1047 0.0422 -0.0215 0.0262 348 GLY B CA 5128 C C . GLY B 269 ? 0.0965 0.1012 0.0873 0.0288 0.0025 0.0374 348 GLY B C 5129 O O . GLY B 269 ? 0.1071 0.1098 0.1229 -0.0044 0.0040 0.0285 348 GLY B O 5130 N N . VAL B 270 ? 0.0984 0.1009 0.1019 0.0087 -0.0202 0.0166 349 VAL B N 5131 C CA . VAL B 270 ? 0.1030 0.0985 0.1143 0.0127 -0.0095 -0.0034 349 VAL B CA 5132 C C . VAL B 270 ? 0.1019 0.1117 0.1088 0.0044 -0.0217 0.0038 349 VAL B C 5133 O O . VAL B 270 ? 0.0808 0.1236 0.1156 0.0091 0.0051 0.0135 349 VAL B O 5134 C CB . VAL B 270 ? 0.0960 0.0958 0.1289 -0.0022 -0.0073 -0.0053 349 VAL B CB 5135 C CG1 . VAL B 270 ? 0.1015 0.1084 0.1423 -0.0101 -0.0177 0.0218 349 VAL B CG1 5136 C CG2 . VAL B 270 ? 0.0822 0.0936 0.1560 0.0202 0.0156 -0.0150 349 VAL B CG2 5137 N N . LYS B 271 ? 0.0911 0.0901 0.0825 0.0113 -0.0526 0.0021 350 LYS B N 5138 C CA . LYS B 271 ? 0.0912 0.1001 0.0893 -0.0016 -0.0776 0.0032 350 LYS B CA 5139 C C . LYS B 271 ? 0.0981 0.0986 0.1159 -0.0075 -0.0378 0.0055 350 LYS B C 5140 O O . LYS B 271 ? 0.1041 0.0972 0.1322 0.0093 -0.0077 -0.0121 350 LYS B O 5141 C CB . LYS B 271 ? 0.0812 0.1165 0.0850 0.0270 -0.0804 -0.0205 350 LYS B CB 5142 C CG . LYS B 271 ? 0.0881 0.1320 0.0589 0.0228 -0.0690 -0.0081 350 LYS B CG 5143 C CD . LYS B 271 ? 0.0857 0.1306 0.0617 0.0084 -0.0700 -0.0003 350 LYS B CD 5144 C CE . LYS B 271 ? 0.0980 0.1339 0.0438 0.0049 -0.0138 -0.0323 350 LYS B CE 5145 N NZ . LYS B 271 ? 0.1036 0.1227 0.0483 -0.0044 0.0005 -0.0371 350 LYS B NZ 5146 N N . GLY B 272 ? 0.0938 0.0992 0.0872 -0.0167 -0.0024 0.0130 351 GLY B N 5147 C CA . GLY B 272 ? 0.1004 0.1003 0.0660 -0.0082 0.0092 0.0268 351 GLY B CA 5148 C C . GLY B 272 ? 0.1210 0.1039 0.1082 -0.0105 -0.0058 0.0241 351 GLY B C 5149 O O . GLY B 272 ? 0.1327 0.1113 0.1423 -0.0120 0.0206 0.0064 351 GLY B O 5150 N N . PHE B 273 ? 0.1186 0.1222 0.1161 0.0083 -0.0037 0.0329 352 PHE B N 5151 C CA . PHE B 273 ? 0.1103 0.1040 0.1256 -0.0029 0.0087 0.0270 352 PHE B CA 5152 C C . PHE B 273 ? 0.1121 0.1077 0.0955 -0.0173 0.0125 -0.0055 352 PHE B C 5153 O O . PHE B 273 ? 0.1073 0.1234 0.0940 -0.0046 0.0198 -0.0015 352 PHE B O 5154 C CB . PHE B 273 ? 0.1061 0.1010 0.1930 0.0063 0.0049 0.0025 352 PHE B CB 5155 C CG . PHE B 273 ? 0.1081 0.0870 0.1848 0.0113 -0.0140 -0.0161 352 PHE B CG 5156 C CD1 . PHE B 273 ? 0.1223 0.1092 0.2029 0.0368 -0.0413 0.0097 352 PHE B CD1 5157 C CD2 . PHE B 273 ? 0.1079 0.0792 0.1787 0.0129 -0.0095 0.0004 352 PHE B CD2 5158 C CE1 . PHE B 273 ? 0.1404 0.1226 0.1843 0.0147 -0.0458 0.0131 352 PHE B CE1 5159 C CE2 . PHE B 273 ? 0.1234 0.1054 0.2022 0.0142 -0.0132 0.0010 352 PHE B CE2 5160 C CZ . PHE B 273 ? 0.1279 0.1060 0.1711 0.0010 -0.0142 -0.0010 352 PHE B CZ 5161 N N . GLY B 274 ? 0.1236 0.1045 0.1092 -0.0259 0.0266 0.0257 353 GLY B N 5162 C CA . GLY B 274 ? 0.1467 0.1342 0.1177 -0.0260 -0.0035 0.0340 353 GLY B CA 5163 C C . GLY B 274 ? 0.1619 0.1500 0.1144 -0.0280 0.0004 0.0316 353 GLY B C 5164 O O . GLY B 274 ? 0.1718 0.1857 0.1524 -0.0459 0.0005 0.0610 353 GLY B O 5165 N N . PHE B 275 ? 0.1505 0.1433 0.1075 -0.0044 0.0054 0.0391 354 PHE B N 5166 C CA . PHE B 275 ? 0.1381 0.1375 0.1180 0.0251 0.0391 0.0237 354 PHE B CA 5167 C C . PHE B 275 ? 0.1273 0.1356 0.1161 0.0065 0.0449 0.0092 354 PHE B C 5168 O O . PHE B 275 ? 0.1247 0.1436 0.1498 -0.0218 0.0165 -0.0131 354 PHE B O 5169 C CB . PHE B 275 ? 0.1413 0.1457 0.1508 0.0566 0.0285 0.0216 354 PHE B CB 5170 C CG . PHE B 275 ? 0.1429 0.1539 0.1434 0.0299 0.0412 0.0373 354 PHE B CG 5171 C CD1 . PHE B 275 ? 0.1471 0.1531 0.1278 0.0058 0.0373 0.0389 354 PHE B CD1 5172 C CD2 . PHE B 275 ? 0.1631 0.1535 0.1393 0.0327 0.0177 0.0524 354 PHE B CD2 5173 C CE1 . PHE B 275 ? 0.1518 0.1537 0.1449 0.0019 0.0470 0.0458 354 PHE B CE1 5174 C CE2 . PHE B 275 ? 0.1667 0.1578 0.1594 0.0334 0.0283 0.0426 354 PHE B CE2 5175 C CZ . PHE B 275 ? 0.1632 0.1569 0.1504 0.0092 0.0535 0.0437 354 PHE B CZ 5176 N N . ARG B 276 ? 0.1373 0.1389 0.1096 0.0107 0.0412 0.0045 355 ARG B N 5177 C CA . ARG B 276 ? 0.1461 0.1445 0.1062 0.0041 0.0540 0.0043 355 ARG B CA 5178 C C . ARG B 276 ? 0.1510 0.1296 0.1524 0.0064 0.0338 0.0043 355 ARG B C 5179 O O . ARG B 276 ? 0.1423 0.1446 0.1445 0.0041 0.0500 0.0225 355 ARG B O 5180 C CB . ARG B 276 ? 0.1371 0.1361 0.1061 0.0020 0.0584 -0.0197 355 ARG B CB 5181 C CG . ARG B 276 ? 0.1357 0.1515 0.0822 0.0132 0.0316 -0.0312 355 ARG B CG 5182 C CD . ARG B 276 ? 0.1399 0.1910 0.0678 -0.0039 0.0183 -0.0237 355 ARG B CD 5183 N NE . ARG B 276 ? 0.1607 0.2045 0.0887 -0.0100 0.0341 -0.0139 355 ARG B NE 5184 C CZ . ARG B 276 ? 0.1625 0.2289 0.1546 -0.0070 0.0349 -0.0330 355 ARG B CZ 5185 N NH1 . ARG B 276 ? 0.1576 0.2205 0.1744 0.0018 0.0468 -0.0389 355 ARG B NH1 5186 N NH2 . ARG B 276 ? 0.1621 0.2496 0.1723 -0.0341 0.0343 -0.0244 355 ARG B NH2 5187 N N . GLN B 277 ? 0.1509 0.1101 0.1397 -0.0257 0.0295 0.0213 356 GLN B N 5188 C CA . GLN B 277 ? 0.1513 0.1523 0.1431 -0.0087 0.0293 -0.0058 356 GLN B CA 5189 C C . GLN B 277 ? 0.1641 0.1715 0.1526 -0.0001 0.0309 0.0133 356 GLN B C 5190 O O . GLN B 277 ? 0.1776 0.1810 0.1721 -0.0187 0.0365 0.0357 356 GLN B O 5191 C CB . GLN B 277 ? 0.1596 0.1574 0.1661 -0.0095 0.0666 -0.0154 356 GLN B CB 5192 C CG . GLN B 277 ? 0.1696 0.1796 0.1498 0.0049 0.0366 -0.0308 356 GLN B CG 5193 C CD . GLN B 277 ? 0.1835 0.1901 0.1529 0.0152 0.0323 -0.0227 356 GLN B CD 5194 O OE1 . GLN B 277 ? 0.1879 0.1892 0.1386 0.0369 0.0304 -0.0275 356 GLN B OE1 5195 N NE2 . GLN B 277 ? 0.1621 0.1971 0.1680 -0.0001 0.0364 0.0051 356 GLN B NE2 5196 N N . GLY B 278 ? 0.1560 0.1902 0.1354 0.0275 0.0426 0.0026 357 GLY B N 5197 C CA . GLY B 278 ? 0.1377 0.2127 0.1643 0.0241 0.0447 -0.0046 357 GLY B CA 5198 C C . GLY B 278 ? 0.1330 0.2134 0.1866 0.0117 0.0281 -0.0168 357 GLY B C 5199 O O . GLY B 278 ? 0.1318 0.2073 0.2157 0.0018 0.0302 -0.0260 357 GLY B O 5200 N N . ASN B 279 ? 0.1043 0.2167 0.1635 0.0079 0.0368 -0.0285 358 ASN B N 5201 C CA . ASN B 279 ? 0.1147 0.2187 0.1460 0.0123 0.0585 -0.0195 358 ASN B CA 5202 C C . ASN B 279 ? 0.1192 0.1914 0.1730 -0.0110 0.0484 -0.0029 358 ASN B C 5203 O O . ASN B 279 ? 0.1326 0.1784 0.1840 -0.0086 0.0287 0.0149 358 ASN B O 5204 C CB . ASN B 279 ? 0.1418 0.2606 0.1923 0.0165 0.0660 -0.0226 358 ASN B CB 5205 C CG . ASN B 279 ? 0.1699 0.2959 0.2086 0.0006 0.0481 -0.0284 358 ASN B CG 5206 O OD1 . ASN B 279 ? 0.1732 0.3117 0.2283 0.0050 0.0380 -0.0274 358 ASN B OD1 5207 N ND2 . ASN B 279 ? 0.1772 0.3108 0.2597 -0.0187 0.0431 -0.0230 358 ASN B ND2 5208 N N . SER B 280 ? 0.1044 0.1713 0.1923 -0.0084 0.0404 -0.0125 359 SER B N 5209 C CA . SER B 280 ? 0.1156 0.1632 0.2091 -0.0090 0.0377 0.0048 359 SER B CA 5210 C C . SER B 280 ? 0.1287 0.1625 0.1923 0.0065 0.0341 0.0075 359 SER B C 5211 O O . SER B 280 ? 0.1399 0.1461 0.1694 0.0089 0.0344 0.0015 359 SER B O 5212 C CB . SER B 280 ? 0.1132 0.1652 0.2004 -0.0247 0.0347 -0.0045 359 SER B CB 5213 O OG . SER B 280 ? 0.1246 0.1728 0.2141 -0.0231 0.0261 -0.0001 359 SER B OG 5214 N N . VAL B 281 ? 0.1338 0.1638 0.2264 0.0000 0.0415 0.0093 360 VAL B N 5215 C CA . VAL B 281 ? 0.1345 0.1540 0.1804 -0.0184 0.0321 0.0068 360 VAL B CA 5216 C C . VAL B 281 ? 0.1314 0.1774 0.1656 -0.0025 0.0285 0.0234 360 VAL B C 5217 O O . VAL B 281 ? 0.1308 0.1802 0.1730 0.0038 -0.0031 -0.0071 360 VAL B O 5218 C CB . VAL B 281 ? 0.1380 0.1502 0.1406 -0.0439 -0.0139 0.0299 360 VAL B CB 5219 C CG1 . VAL B 281 ? 0.1641 0.1553 0.1670 -0.0186 -0.0157 0.0252 360 VAL B CG1 5220 C CG2 . VAL B 281 ? 0.1500 0.1584 0.1604 -0.0536 0.0054 0.0062 360 VAL B CG2 5221 N N . TRP B 282 ? 0.1067 0.1631 0.1453 0.0147 0.0097 0.0370 361 TRP B N 5222 C CA . TRP B 282 ? 0.1133 0.1457 0.1229 -0.0049 0.0275 0.0330 361 TRP B CA 5223 C C . TRP B 282 ? 0.1401 0.1514 0.1055 -0.0254 0.0224 0.0289 361 TRP B C 5224 O O . TRP B 282 ? 0.1640 0.1481 0.1415 -0.0378 0.0394 0.0177 361 TRP B O 5225 C CB . TRP B 282 ? 0.1133 0.1388 0.1697 -0.0033 0.0320 0.0205 361 TRP B CB 5226 C CG . TRP B 282 ? 0.1221 0.1376 0.1680 0.0001 0.0394 0.0143 361 TRP B CG 5227 C CD1 . TRP B 282 ? 0.1201 0.1336 0.1734 -0.0034 0.0294 0.0473 361 TRP B CD1 5228 C CD2 . TRP B 282 ? 0.1163 0.1354 0.1960 -0.0155 0.0136 0.0046 361 TRP B CD2 5229 N NE1 . TRP B 282 ? 0.1440 0.1547 0.1939 -0.0162 0.0173 0.0168 361 TRP B NE1 5230 C CE2 . TRP B 282 ? 0.1261 0.1490 0.2081 -0.0329 0.0036 -0.0061 361 TRP B CE2 5231 C CE3 . TRP B 282 ? 0.1143 0.1354 0.2253 -0.0347 0.0404 -0.0162 361 TRP B CE3 5232 C CZ2 . TRP B 282 ? 0.1318 0.1432 0.2224 -0.0272 -0.0092 -0.0317 361 TRP B CZ2 5233 C CZ3 . TRP B 282 ? 0.1246 0.1234 0.2447 -0.0414 0.0382 -0.0168 361 TRP B CZ3 5234 C CH2 . TRP B 282 ? 0.1415 0.1349 0.2409 -0.0350 0.0028 -0.0390 361 TRP B CH2 5235 N N . ALA B 283 ? 0.1482 0.1415 0.0828 -0.0250 0.0266 0.0261 362 ALA B N 5236 C CA . ALA B 283 ? 0.1337 0.1539 0.1048 -0.0123 0.0231 0.0287 362 ALA B CA 5237 C C . ALA B 283 ? 0.1261 0.1710 0.1468 -0.0139 0.0335 -0.0019 362 ALA B C 5238 O O . ALA B 283 ? 0.1324 0.1847 0.1826 -0.0258 0.0171 -0.0180 362 ALA B O 5239 C CB . ALA B 283 ? 0.1418 0.1521 0.1340 0.0197 -0.0113 0.0295 362 ALA B CB 5240 N N . GLY B 284 ? 0.1040 0.1627 0.1068 -0.0037 0.0126 -0.0048 363 GLY B N 5241 C CA . GLY B 284 ? 0.1042 0.1706 0.0798 -0.0138 0.0121 0.0456 363 GLY B CA 5242 C C . GLY B 284 ? 0.1260 0.1720 0.0895 -0.0119 -0.0075 0.0198 363 GLY B C 5243 O O . GLY B 284 ? 0.1281 0.1982 0.1298 -0.0051 -0.0225 0.0057 363 GLY B O 5244 N N . ARG B 285 ? 0.1069 0.1443 0.0856 -0.0177 -0.0019 0.0060 364 ARG B N 5245 C CA . ARG B 285 ? 0.1025 0.1439 0.0798 -0.0083 -0.0106 0.0163 364 ARG B CA 5246 C C . ARG B 285 ? 0.1189 0.1434 0.0973 -0.0112 -0.0074 0.0041 364 ARG B C 5247 O O . ARG B 285 ? 0.1315 0.1372 0.1290 -0.0060 0.0026 -0.0135 364 ARG B O 5248 C CB . ARG B 285 ? 0.0894 0.1491 0.1209 -0.0143 -0.0120 0.0169 364 ARG B CB 5249 C CG . ARG B 285 ? 0.0748 0.1427 0.1578 -0.0117 -0.0382 0.0195 364 ARG B CG 5250 C CD . ARG B 285 ? 0.0578 0.1726 0.1605 -0.0218 -0.0507 0.0087 364 ARG B CD 5251 N NE . ARG B 285 ? 0.0824 0.1919 0.1530 -0.0211 -0.0165 -0.0065 364 ARG B NE 5252 C CZ . ARG B 285 ? 0.0997 0.2116 0.1943 -0.0206 -0.0139 0.0076 364 ARG B CZ 5253 N NH1 . ARG B 285 ? 0.0947 0.1930 0.1978 -0.0074 -0.0129 0.0219 364 ARG B NH1 5254 N NH2 . ARG B 285 ? 0.0921 0.2388 0.2258 -0.0372 -0.0225 0.0011 364 ARG B NH2 5255 N N . THR B 286 ? 0.1139 0.1395 0.1140 0.0020 -0.0028 0.0111 365 THR B N 5256 C CA . THR B 286 ? 0.1156 0.1172 0.1022 0.0011 -0.0088 0.0166 365 THR B CA 5257 C C . THR B 286 ? 0.1233 0.1186 0.1440 0.0078 -0.0120 -0.0073 365 THR B C 5258 O O . THR B 286 ? 0.1296 0.1446 0.1503 -0.0063 0.0126 -0.0029 365 THR B O 5259 C CB . THR B 286 ? 0.1133 0.1279 0.1360 0.0053 -0.0176 0.0333 365 THR B CB 5260 O OG1 . THR B 286 ? 0.1360 0.1257 0.1323 0.0260 -0.0179 0.0380 365 THR B OG1 5261 C CG2 . THR B 286 ? 0.0977 0.1299 0.1544 0.0070 -0.0071 0.0242 365 THR B CG2 5262 N N . VAL B 287 ? 0.1190 0.1186 0.1708 -0.0168 -0.0282 -0.0163 366 VAL B N 5263 C CA . VAL B 287 ? 0.1196 0.1172 0.1973 -0.0058 -0.0393 -0.0169 366 VAL B CA 5264 C C . VAL B 287 ? 0.1169 0.1255 0.2122 -0.0011 -0.0203 -0.0200 366 VAL B C 5265 O O . VAL B 287 ? 0.1129 0.1522 0.2083 0.0137 -0.0153 -0.0183 366 VAL B O 5266 C CB . VAL B 287 ? 0.1040 0.1332 0.2221 0.0025 -0.0372 -0.0075 366 VAL B CB 5267 C CG1 . VAL B 287 ? 0.0603 0.1416 0.2392 -0.0245 -0.0218 -0.0018 366 VAL B CG1 5268 C CG2 . VAL B 287 ? 0.1127 0.1540 0.1972 0.0287 -0.0178 0.0230 366 VAL B CG2 5269 N N . SER B 288 ? 0.1203 0.1096 0.2174 -0.0025 -0.0302 -0.0027 367 SER B N 5270 C CA . SER B 288 ? 0.1282 0.1139 0.1801 0.0050 -0.0358 -0.0114 367 SER B CA 5271 C C . SER B 288 ? 0.1242 0.1277 0.1710 0.0264 -0.0292 -0.0352 367 SER B C 5272 O O . SER B 288 ? 0.1500 0.1424 0.1788 0.0231 -0.0319 -0.0324 367 SER B O 5273 C CB . SER B 288 ? 0.1520 0.1205 0.1535 -0.0039 -0.0359 0.0264 367 SER B CB 5274 O OG . SER B 288 ? 0.1686 0.1206 0.1607 -0.0167 -0.0440 0.0290 367 SER B OG 5275 N N . ILE B 289 ? 0.0962 0.1350 0.1847 0.0456 -0.0226 -0.0164 368 ILE B N 5276 C CA . ILE B 289 ? 0.0807 0.1472 0.1826 0.0357 -0.0144 -0.0306 368 ILE B CA 5277 C C . ILE B 289 ? 0.1103 0.1652 0.2223 0.0264 -0.0308 -0.0196 368 ILE B C 5278 O O . ILE B 289 ? 0.1129 0.1680 0.2854 -0.0094 -0.0295 -0.0278 368 ILE B O 5279 C CB . ILE B 289 ? 0.0834 0.1652 0.2156 0.0097 -0.0179 -0.0166 368 ILE B CB 5280 C CG1 . ILE B 289 ? 0.0764 0.1781 0.2598 0.0109 -0.0085 -0.0192 368 ILE B CG1 5281 C CG2 . ILE B 289 ? 0.0935 0.1715 0.2327 -0.0253 -0.0268 -0.0182 368 ILE B CG2 5282 C CD1 . ILE B 289 ? 0.0943 0.1935 0.2767 0.0227 -0.0044 -0.0236 368 ILE B CD1 5283 N N . SER B 290 ? 0.1357 0.1694 0.1744 0.0172 -0.0429 -0.0086 369 SER B N 5284 C CA . SER B 290 ? 0.1756 0.1848 0.2173 0.0094 -0.0697 0.0122 369 SER B CA 5285 C C . SER B 290 ? 0.1658 0.1773 0.2633 0.0066 -0.0494 0.0243 369 SER B C 5286 O O . SER B 290 ? 0.1697 0.1938 0.3306 0.0106 -0.0068 0.0356 369 SER B O 5287 C CB . SER B 290 ? 0.2408 0.2186 0.2033 0.0207 -0.0902 -0.0217 369 SER B CB 5288 O OG . SER B 290 ? 0.2908 0.2598 0.2252 0.0159 -0.0889 -0.0055 369 SER B OG 5289 N N . SER B 291 ? 0.1543 0.1891 0.2382 0.0078 -0.0738 0.0113 370 SER B N 5290 C CA . SER B 291 ? 0.1610 0.1980 0.1982 0.0080 -0.0817 0.0112 370 SER B CA 5291 C C . SER B 291 ? 0.1264 0.1654 0.1661 0.0031 -0.0747 -0.0094 370 SER B C 5292 O O . SER B 291 ? 0.1204 0.1576 0.1702 0.0014 -0.0629 -0.0372 370 SER B O 5293 C CB . SER B 291 ? 0.2279 0.2436 0.2759 -0.0017 -0.0641 0.0009 370 SER B CB 5294 O OG . SER B 291 ? 0.2725 0.2938 0.3368 0.0072 -0.0441 -0.0100 370 SER B OG 5295 N N . ARG B 292 ? 0.0984 0.1221 0.1380 0.0128 -0.0616 -0.0025 371 ARG B N 5296 C CA . ARG B 292 ? 0.0970 0.0950 0.1217 0.0091 -0.0679 -0.0082 371 ARG B CA 5297 C C . ARG B 292 ? 0.1147 0.1061 0.1369 -0.0029 -0.0447 -0.0104 371 ARG B C 5298 O O . ARG B 292 ? 0.1007 0.1270 0.1207 -0.0131 -0.0088 -0.0118 371 ARG B O 5299 C CB . ARG B 292 ? 0.0969 0.0747 0.1254 -0.0225 -0.0464 -0.0280 371 ARG B CB 5300 C CG . ARG B 292 ? 0.1051 0.0714 0.1467 -0.0473 -0.0347 -0.0313 371 ARG B CG 5301 C CD . ARG B 292 ? 0.0874 0.0550 0.1530 -0.0249 -0.0402 -0.0451 371 ARG B CD 5302 N NE . ARG B 292 ? 0.1040 0.0746 0.1084 -0.0258 -0.0174 -0.0469 371 ARG B NE 5303 C CZ . ARG B 292 ? 0.0940 0.0624 0.1289 0.0050 -0.0029 -0.0142 371 ARG B CZ 5304 N NH1 . ARG B 292 ? 0.1048 0.0855 0.1512 0.0347 -0.0113 -0.0038 371 ARG B NH1 5305 N NH2 . ARG B 292 ? 0.0995 0.0943 0.1159 0.0125 -0.0142 0.0219 371 ARG B NH2 5306 N N A SER B 293 ? 0.1242 0.0869 0.1200 -0.0113 -0.0345 -0.0129 372 SER B N 5307 N N B SER B 293 ? 0.1171 0.0990 0.1289 -0.0043 -0.0297 0.0018 372 SER B N 5308 C CA A SER B 293 ? 0.1337 0.0875 0.1131 -0.0130 -0.0358 -0.0206 372 SER B CA 5309 C CA B SER B 293 ? 0.1205 0.1189 0.1273 0.0016 -0.0271 0.0082 372 SER B CA 5310 C C A SER B 293 ? 0.1209 0.0972 0.1064 -0.0064 -0.0205 -0.0147 372 SER B C 5311 C C B SER B 293 ? 0.1107 0.1154 0.1114 0.0010 -0.0172 -0.0087 372 SER B C 5312 O O A SER B 293 ? 0.1135 0.1071 0.1138 -0.0196 -0.0117 -0.0133 372 SER B O 5313 O O B SER B 293 ? 0.1023 0.1303 0.1140 -0.0177 -0.0091 -0.0137 372 SER B O 5314 C CB A SER B 293 ? 0.1571 0.0823 0.1203 -0.0247 -0.0531 -0.0503 372 SER B CB 5315 C CB B SER B 293 ? 0.1328 0.1483 0.1569 0.0011 -0.0231 0.0028 372 SER B CB 5316 O OG A SER B 293 ? 0.1820 0.0713 0.1221 -0.0454 -0.0771 -0.0509 372 SER B OG 5317 O OG B SER B 293 ? 0.1370 0.1633 0.1734 -0.0087 -0.0282 0.0438 372 SER B OG 5318 N N . GLY B 294 ? 0.1265 0.0913 0.0918 -0.0034 -0.0094 0.0068 373 GLY B N 5319 C CA . GLY B 294 ? 0.1253 0.1011 0.0891 -0.0174 0.0022 0.0106 373 GLY B CA 5320 C C . GLY B 294 ? 0.1091 0.1020 0.0918 -0.0192 -0.0073 -0.0044 373 GLY B C 5321 O O . GLY B 294 ? 0.1086 0.1157 0.1341 -0.0266 -0.0123 0.0090 373 GLY B O 5322 N N . PHE B 295 ? 0.1025 0.1259 0.0830 -0.0062 -0.0223 -0.0061 374 PHE B N 5323 C CA . PHE B 295 ? 0.1030 0.1225 0.1183 -0.0017 -0.0277 0.0108 374 PHE B CA 5324 C C . PHE B 295 ? 0.1140 0.1403 0.1500 -0.0062 0.0034 0.0234 374 PHE B C 5325 O O . PHE B 295 ? 0.1147 0.1416 0.1337 -0.0164 -0.0086 0.0259 374 PHE B O 5326 C CB . PHE B 295 ? 0.0919 0.1058 0.1219 -0.0004 -0.0369 -0.0230 374 PHE B CB 5327 C CG . PHE B 295 ? 0.1014 0.1322 0.1303 -0.0070 -0.0381 -0.0181 374 PHE B CG 5328 C CD1 . PHE B 295 ? 0.1172 0.1144 0.1262 -0.0197 -0.0386 -0.0054 374 PHE B CD1 5329 C CD2 . PHE B 295 ? 0.0967 0.1330 0.1533 -0.0020 -0.0396 -0.0031 374 PHE B CD2 5330 C CE1 . PHE B 295 ? 0.1149 0.1385 0.1531 -0.0099 -0.0027 -0.0178 374 PHE B CE1 5331 C CE2 . PHE B 295 ? 0.0964 0.1378 0.1809 -0.0294 -0.0375 -0.0007 374 PHE B CE2 5332 C CZ . PHE B 295 ? 0.1059 0.1389 0.1526 -0.0124 -0.0196 0.0366 374 PHE B CZ 5333 N N . GLU B 296 ? 0.1252 0.1356 0.1199 -0.0129 0.0366 0.0018 375 GLU B N 5334 C CA . GLU B 296 ? 0.1036 0.1449 0.1254 -0.0024 0.0186 0.0067 375 GLU B CA 5335 C C . GLU B 296 ? 0.1314 0.1576 0.1420 0.0010 0.0046 0.0130 375 GLU B C 5336 O O . GLU B 296 ? 0.1522 0.1580 0.1534 0.0171 0.0280 0.0133 375 GLU B O 5337 C CB . GLU B 296 ? 0.1098 0.1573 0.1975 -0.0098 -0.0122 -0.0067 375 GLU B CB 5338 C CG . GLU B 296 ? 0.1271 0.1785 0.2720 -0.0112 -0.0245 0.0082 375 GLU B CG 5339 C CD . GLU B 296 ? 0.1671 0.1989 0.3456 0.0057 -0.0372 -0.0206 375 GLU B CD 5340 O OE1 . GLU B 296 ? 0.1904 0.2198 0.3956 0.0177 -0.0397 -0.0321 375 GLU B OE1 5341 O OE2 . GLU B 296 ? 0.1756 0.2055 0.3706 0.0007 -0.0559 -0.0312 375 GLU B OE2 5342 N N . ILE B 297 ? 0.1262 0.1654 0.1365 -0.0006 0.0124 0.0105 376 ILE B N 5343 C CA . ILE B 297 ? 0.1236 0.1746 0.1163 0.0000 0.0314 0.0074 376 ILE B CA 5344 C C . ILE B 297 ? 0.1272 0.1599 0.1619 -0.0104 0.0172 0.0054 376 ILE B C 5345 O O . ILE B 297 ? 0.1602 0.1734 0.2118 0.0020 0.0244 -0.0106 376 ILE B O 5346 C CB . ILE B 297 ? 0.1513 0.2061 0.1280 0.0170 0.0425 -0.0159 376 ILE B CB 5347 C CG1 . ILE B 297 ? 0.1819 0.2077 0.2007 0.0309 0.0234 -0.0334 376 ILE B CG1 5348 C CG2 . ILE B 297 ? 0.1813 0.2510 0.1468 0.0195 0.0276 0.0149 376 ILE B CG2 5349 C CD1 . ILE B 297 ? 0.1996 0.2376 0.2695 0.0401 0.0336 -0.0652 376 ILE B CD1 5350 N N . LEU B 298 ? 0.1016 0.1530 0.1578 -0.0040 0.0361 -0.0045 377 LEU B N 5351 C CA . LEU B 298 ? 0.1121 0.1620 0.1300 0.0074 0.0231 0.0225 377 LEU B CA 5352 C C . LEU B 298 ? 0.1240 0.1612 0.1491 0.0052 0.0320 -0.0068 377 LEU B C 5353 O O . LEU B 298 ? 0.1316 0.1666 0.1387 -0.0142 0.0253 -0.0199 377 LEU B O 5354 C CB . LEU B 298 ? 0.1289 0.1863 0.1775 0.0445 0.0012 0.0378 377 LEU B CB 5355 C CG . LEU B 298 ? 0.1861 0.2211 0.2311 0.0686 -0.0196 0.0277 377 LEU B CG 5356 C CD1 . LEU B 298 ? 0.2114 0.2526 0.2057 0.0774 -0.0160 0.0401 377 LEU B CD1 5357 C CD2 . LEU B 298 ? 0.2288 0.2584 0.3098 0.0639 -0.0182 0.0186 377 LEU B CD2 5358 N N . LEU B 299 ? 0.1351 0.1407 0.1279 0.0004 0.0261 0.0105 378 LEU B N 5359 C CA . LEU B 299 ? 0.1470 0.1506 0.1699 0.0108 0.0140 0.0241 378 LEU B CA 5360 C C . LEU B 299 ? 0.1400 0.1577 0.2215 -0.0078 0.0392 0.0053 378 LEU B C 5361 O O . LEU B 299 ? 0.1642 0.1470 0.2513 -0.0142 0.0433 -0.0051 378 LEU B O 5362 C CB . LEU B 299 ? 0.1750 0.1538 0.1576 -0.0039 0.0109 0.0263 378 LEU B CB 5363 C CG . LEU B 299 ? 0.1878 0.1377 0.1543 -0.0072 0.0419 0.0121 378 LEU B CG 5364 C CD1 . LEU B 299 ? 0.2121 0.1611 0.1971 -0.0190 0.0514 0.0139 378 LEU B CD1 5365 C CD2 . LEU B 299 ? 0.1921 0.1400 0.1780 -0.0124 0.0476 0.0334 378 LEU B CD2 5366 N N . ILE B 300 ? 0.1159 0.1485 0.2073 -0.0014 0.0154 0.0072 379 ILE B N 5367 C CA . ILE B 300 ? 0.1236 0.1643 0.2301 0.0028 0.0155 0.0117 379 ILE B CA 5368 C C . ILE B 300 ? 0.1214 0.1702 0.2372 -0.0065 0.0445 -0.0010 379 ILE B C 5369 O O . ILE B 300 ? 0.1142 0.1634 0.2235 -0.0036 0.0203 -0.0072 379 ILE B O 5370 C CB . ILE B 300 ? 0.1096 0.1566 0.2227 0.0119 0.0291 0.0157 379 ILE B CB 5371 C CG1 . ILE B 300 ? 0.1441 0.1664 0.2465 -0.0010 -0.0025 -0.0065 379 ILE B CG1 5372 C CG2 . ILE B 300 ? 0.1088 0.1520 0.2253 0.0348 0.0271 0.0254 379 ILE B CG2 5373 C CD1 . ILE B 300 ? 0.1354 0.1719 0.2462 -0.0043 0.0031 0.0327 379 ILE B CD1 5374 N N . GLU B 301 ? 0.1266 0.1754 0.2366 -0.0211 0.0576 -0.0028 380 GLU B N 5375 C CA . GLU B 301 ? 0.1454 0.2045 0.2465 -0.0319 0.0611 0.0037 380 GLU B CA 5376 C C . GLU B 301 ? 0.1291 0.1849 0.2397 -0.0102 0.0323 0.0097 380 GLU B C 5377 O O . GLU B 301 ? 0.1187 0.1881 0.2486 0.0038 0.0360 0.0031 380 GLU B O 5378 C CB . GLU B 301 ? 0.1793 0.2364 0.2827 -0.0602 0.0826 0.0310 380 GLU B CB 5379 C CG . GLU B 301 ? 0.2226 0.2824 0.3740 -0.0702 0.0745 0.0195 380 GLU B CG 5380 C CD . GLU B 301 ? 0.2851 0.3346 0.4965 -0.0813 0.0520 0.0486 380 GLU B CD 5381 O OE1 . GLU B 301 ? 0.2908 0.3656 0.5384 -0.0909 0.0473 0.0517 380 GLU B OE1 5382 O OE2 . GLU B 301 ? 0.3297 0.3475 0.5714 -0.0879 0.0471 0.0516 380 GLU B OE2 5383 N N . ASP B 302 ? 0.1381 0.2006 0.2349 -0.0075 0.0404 0.0095 381 ASP B N 5384 C CA . ASP B 302 ? 0.1459 0.2193 0.2344 0.0037 0.0479 0.0031 381 ASP B CA 5385 C C . ASP B 302 ? 0.1589 0.2278 0.2121 0.0085 0.0337 -0.0089 381 ASP B C 5386 O O . ASP B 302 ? 0.1793 0.2185 0.2223 0.0139 0.0303 -0.0162 381 ASP B O 5387 C CB . ASP B 302 ? 0.1674 0.2590 0.2647 0.0009 0.0789 0.0258 381 ASP B CB 5388 C CG . ASP B 302 ? 0.1892 0.3027 0.3001 -0.0122 0.0882 0.0372 381 ASP B CG 5389 O OD1 . ASP B 302 ? 0.2144 0.3228 0.3010 -0.0184 0.0962 0.0556 381 ASP B OD1 5390 O OD2 . ASP B 302 ? 0.1964 0.3300 0.3542 -0.0188 0.0861 0.0423 381 ASP B OD2 5391 N N . GLY B 303 ? 0.1527 0.2284 0.1854 -0.0002 0.0143 -0.0132 382 GLY B N 5392 C CA . GLY B 303 ? 0.1575 0.2179 0.1734 0.0000 0.0069 -0.0190 382 GLY B CA 5393 C C . GLY B 303 ? 0.1476 0.2148 0.1894 0.0215 0.0254 -0.0149 382 GLY B C 5394 O O . GLY B 303 ? 0.1455 0.2110 0.2050 0.0322 -0.0001 0.0281 382 GLY B O 5395 N N . TRP B 304 ? 0.1447 0.2092 0.1939 0.0223 0.0139 -0.0226 383 TRP B N 5396 C CA . TRP B 304 ? 0.1512 0.2048 0.2177 -0.0005 0.0005 -0.0082 383 TRP B CA 5397 C C . TRP B 304 ? 0.1673 0.2160 0.2291 0.0107 0.0124 0.0040 383 TRP B C 5398 O O . TRP B 304 ? 0.1906 0.2302 0.2845 0.0226 0.0122 -0.0106 383 TRP B O 5399 C CB . TRP B 304 ? 0.1558 0.1980 0.2170 -0.0207 -0.0129 -0.0028 383 TRP B CB 5400 C CG . TRP B 304 ? 0.1520 0.1903 0.2088 -0.0064 -0.0071 0.0030 383 TRP B CG 5401 C CD1 . TRP B 304 ? 0.1410 0.1922 0.2641 -0.0205 -0.0043 -0.0148 383 TRP B CD1 5402 C CD2 . TRP B 304 ? 0.1568 0.1981 0.2122 0.0069 -0.0098 0.0016 383 TRP B CD2 5403 N NE1 . TRP B 304 ? 0.1569 0.2040 0.2529 -0.0104 0.0234 -0.0091 383 TRP B NE1 5404 C CE2 . TRP B 304 ? 0.1577 0.1988 0.2450 -0.0012 0.0204 0.0032 383 TRP B CE2 5405 C CE3 . TRP B 304 ? 0.1636 0.2100 0.1998 0.0129 0.0041 0.0278 383 TRP B CE3 5406 C CZ2 . TRP B 304 ? 0.1674 0.2109 0.2318 0.0092 0.0301 0.0090 383 TRP B CZ2 5407 C CZ3 . TRP B 304 ? 0.1703 0.2131 0.2215 0.0080 0.0086 0.0084 383 TRP B CZ3 5408 C CH2 . TRP B 304 ? 0.1734 0.2150 0.2390 0.0115 0.0364 0.0140 383 TRP B CH2 5409 N N . ILE B 305 ? 0.1605 0.2237 0.2234 0.0297 0.0250 0.0131 384 ILE B N 5410 C CA . ILE B 305 ? 0.1703 0.2508 0.2234 0.0372 0.0179 0.0105 384 ILE B CA 5411 C C . ILE B 305 ? 0.1658 0.2496 0.2639 0.0455 0.0354 -0.0111 384 ILE B C 5412 O O . ILE B 305 ? 0.1820 0.2602 0.2879 0.0410 0.0491 -0.0561 384 ILE B O 5413 C CB . ILE B 305 ? 0.1970 0.2720 0.2356 0.0394 0.0282 0.0150 384 ILE B CB 5414 C CG1 . ILE B 305 ? 0.2109 0.2755 0.2259 0.0416 0.0447 0.0718 384 ILE B CG1 5415 C CG2 . ILE B 305 ? 0.2341 0.2777 0.2247 0.0452 0.0173 0.0015 384 ILE B CG2 5416 C CD1 . ILE B 305 ? 0.2148 0.2815 0.2512 0.0551 0.0445 0.0729 384 ILE B CD1 5417 N N . ARG B 306 ? 0.1523 0.2379 0.2638 0.0274 0.0269 0.0236 385 ARG B N 5418 C CA . ARG B 306 ? 0.1808 0.2534 0.2729 -0.0065 0.0228 0.0284 385 ARG B CA 5419 C C . ARG B 306 ? 0.1624 0.2338 0.2365 -0.0008 0.0124 0.0281 385 ARG B C 5420 O O . ARG B 306 ? 0.1554 0.2353 0.2174 0.0109 0.0129 0.0302 385 ARG B O 5421 C CB . ARG B 306 ? 0.2195 0.2969 0.3212 -0.0346 0.0387 0.0443 385 ARG B CB 5422 C CG . ARG B 306 ? 0.2415 0.3268 0.3703 -0.0546 0.0658 0.0524 385 ARG B CG 5423 C CD . ARG B 306 ? 0.2679 0.3524 0.4337 -0.0659 0.0781 0.0559 385 ARG B CD 5424 N NE . ARG B 306 ? 0.2855 0.3784 0.4778 -0.0651 0.0862 0.0590 385 ARG B NE 5425 C CZ . ARG B 306 ? 0.2917 0.3929 0.5077 -0.0719 0.0716 0.0491 385 ARG B CZ 5426 N NH1 . ARG B 306 ? 0.2888 0.4035 0.5039 -0.0645 0.0749 0.0411 385 ARG B NH1 5427 N NH2 . ARG B 306 ? 0.2998 0.4020 0.5387 -0.0664 0.0611 0.0368 385 ARG B NH2 5428 N N . THR B 307 ? 0.1415 0.2293 0.2515 -0.0058 -0.0176 0.0298 387 THR B N 5429 C CA . THR B 307 ? 0.1362 0.2414 0.2519 -0.0019 -0.0180 0.0443 387 THR B CA 5430 C C . THR B 307 ? 0.1361 0.2503 0.2224 0.0000 -0.0092 0.0314 387 THR B C 5431 O O . THR B 307 ? 0.1422 0.2586 0.2111 -0.0023 -0.0121 0.0176 387 THR B O 5432 C CB . THR B 307 ? 0.1324 0.2514 0.3130 -0.0073 -0.0079 0.0442 387 THR B CB 5433 O OG1 . THR B 307 ? 0.1223 0.2692 0.3341 -0.0041 0.0021 0.0297 387 THR B OG1 5434 C CG2 . THR B 307 ? 0.1412 0.2476 0.3422 -0.0214 0.0190 0.0564 387 THR B CG2 5435 N N . SER B 308 ? 0.1589 0.2281 0.2344 0.0111 0.0060 0.0178 388 SER B N 5436 C CA . SER B 308 ? 0.1875 0.2246 0.2346 -0.0090 -0.0008 -0.0051 388 SER B CA 5437 C C . SER B 308 ? 0.1953 0.2292 0.2315 -0.0173 -0.0128 -0.0094 388 SER B C 5438 O O . SER B 308 ? 0.2057 0.2137 0.2354 -0.0308 -0.0104 -0.0165 388 SER B O 5439 C CB . SER B 308 ? 0.1925 0.2145 0.2248 -0.0126 0.0066 0.0004 388 SER B CB 5440 O OG . SER B 308 ? 0.1984 0.2046 0.2248 -0.0362 -0.0046 -0.0229 388 SER B OG 5441 N N . LYS B 309 ? 0.1941 0.2493 0.2274 -0.0024 -0.0351 -0.0046 389 LYS B N 5442 C CA . LYS B 309 ? 0.1883 0.2487 0.2176 -0.0116 -0.0271 0.0141 389 LYS B CA 5443 C C . LYS B 309 ? 0.1902 0.2360 0.2229 -0.0343 0.0183 0.0097 389 LYS B C 5444 O O . LYS B 309 ? 0.2349 0.2435 0.2485 -0.0549 0.0079 0.0144 389 LYS B O 5445 C CB . LYS B 309 ? 0.2051 0.2574 0.2454 -0.0131 -0.0433 0.0548 389 LYS B CB 5446 C CG . LYS B 309 ? 0.2063 0.2687 0.2581 0.0025 -0.0362 0.0514 389 LYS B CG 5447 C CD . LYS B 309 ? 0.2034 0.2831 0.2535 0.0005 -0.0315 0.0723 389 LYS B CD 5448 C CE . LYS B 309 ? 0.1802 0.2914 0.2724 -0.0112 0.0112 0.0766 389 LYS B CE 5449 N NZ . LYS B 309 ? 0.1542 0.2974 0.2755 -0.0073 0.0153 0.0611 389 LYS B NZ 5450 N N . THR B 310 ? 0.1641 0.2304 0.2333 -0.0293 0.0178 0.0059 390 THR B N 5451 C CA . THR B 310 ? 0.1541 0.2392 0.2595 -0.0286 0.0178 0.0290 390 THR B CA 5452 C C . THR B 310 ? 0.1503 0.2427 0.2525 -0.0198 0.0179 0.0121 390 THR B C 5453 O O . THR B 310 ? 0.1446 0.2546 0.2638 -0.0083 0.0042 0.0070 390 THR B O 5454 C CB . THR B 310 ? 0.1767 0.2555 0.3073 -0.0290 0.0319 0.0475 390 THR B CB 5455 O OG1 . THR B 310 ? 0.1926 0.2818 0.3398 -0.0291 0.0332 0.0373 390 THR B OG1 5456 C CG2 . THR B 310 ? 0.1942 0.2638 0.3252 -0.0420 0.0324 0.0630 390 THR B CG2 5457 N N . ILE B 311 ? 0.1523 0.2304 0.2549 -0.0113 0.0226 -0.0164 391 ILE B N 5458 C CA . ILE B 311 ? 0.1723 0.2354 0.2463 -0.0045 0.0239 -0.0272 391 ILE B CA 5459 C C . ILE B 311 ? 0.1774 0.2158 0.2848 -0.0203 0.0292 -0.0431 391 ILE B C 5460 O O . ILE B 311 ? 0.2200 0.2211 0.3435 -0.0135 -0.0192 -0.0593 391 ILE B O 5461 C CB . ILE B 311 ? 0.1972 0.2759 0.2861 0.0023 0.0360 -0.0019 391 ILE B CB 5462 C CG1 . ILE B 311 ? 0.2050 0.3095 0.2711 0.0085 0.0417 0.0225 391 ILE B CG1 5463 C CG2 . ILE B 311 ? 0.2098 0.2748 0.2830 0.0278 0.0408 -0.0301 391 ILE B CG2 5464 C CD1 . ILE B 311 ? 0.2199 0.3291 0.2975 0.0049 0.0238 0.0338 391 ILE B CD1 5465 N N . VAL B 312 ? 0.1681 0.2041 0.2662 -0.0077 0.0594 -0.0195 392 VAL B N 5466 C CA . VAL B 312 ? 0.2035 0.1916 0.3172 0.0015 0.0645 -0.0150 392 VAL B CA 5467 C C . VAL B 312 ? 0.1871 0.1911 0.3319 -0.0151 0.0479 -0.0091 392 VAL B C 5468 O O . VAL B 312 ? 0.1943 0.2115 0.3505 -0.0195 0.0429 -0.0091 392 VAL B O 5469 C CB . VAL B 312 ? 0.2880 0.2392 0.3700 0.0300 0.1170 0.0164 392 VAL B CB 5470 C CG1 . VAL B 312 ? 0.3144 0.2528 0.4025 0.0250 0.1242 0.0077 392 VAL B CG1 5471 C CG2 . VAL B 312 ? 0.3449 0.2763 0.4059 0.0300 0.1098 -0.0022 392 VAL B CG2 5472 N N . LYS B 313 ? 0.1798 0.1926 0.3068 -0.0242 0.0216 -0.0088 393 LYS B N 5473 C CA . LYS B 313 ? 0.1850 0.1985 0.2921 -0.0187 0.0204 0.0057 393 LYS B CA 5474 C C . LYS B 313 ? 0.1609 0.1895 0.2896 -0.0008 0.0464 -0.0085 393 LYS B C 5475 O O . LYS B 313 ? 0.1414 0.1775 0.2573 0.0200 0.0194 -0.0124 393 LYS B O 5476 C CB . LYS B 313 ? 0.2115 0.2190 0.3056 -0.0055 0.0092 0.0241 393 LYS B CB 5477 C CG . LYS B 313 ? 0.2488 0.2602 0.3287 -0.0064 0.0051 0.0295 393 LYS B CG 5478 C CD . LYS B 313 ? 0.2599 0.2906 0.3840 0.0003 0.0105 0.0548 393 LYS B CD 5479 C CE . LYS B 313 ? 0.2879 0.3275 0.4191 0.0138 0.0236 0.0503 393 LYS B CE 5480 N NZ . LYS B 313 ? 0.3200 0.3642 0.4643 0.0181 0.0255 0.0479 393 LYS B NZ 5481 N N . LYS B 314 ? 0.1547 0.1841 0.3229 0.0179 0.0890 -0.0188 394 LYS B N 5482 C CA . LYS B 314 ? 0.1771 0.2138 0.3579 0.0111 0.0743 -0.0338 394 LYS B CA 5483 C C . LYS B 314 ? 0.1683 0.1823 0.3702 -0.0136 0.0826 -0.0416 394 LYS B C 5484 O O . LYS B 314 ? 0.1853 0.1572 0.4361 -0.0487 0.0938 -0.0647 394 LYS B O 5485 C CB . LYS B 314 ? 0.2314 0.2807 0.4036 0.0069 0.0311 -0.0303 394 LYS B CB 5486 C CG . LYS B 314 ? 0.2869 0.3492 0.4569 -0.0037 -0.0226 -0.0234 394 LYS B CG 5487 C CD . LYS B 314 ? 0.3479 0.4075 0.5289 0.0020 -0.0450 -0.0161 394 LYS B CD 5488 C CE . LYS B 314 ? 0.3935 0.4416 0.5605 0.0013 -0.0719 -0.0209 394 LYS B CE 5489 N NZ . LYS B 314 ? 0.4230 0.4721 0.5767 0.0034 -0.0910 -0.0239 394 LYS B NZ 5490 N N . VAL B 315 ? 0.1609 0.1868 0.2897 -0.0007 0.0798 -0.0253 395 VAL B N 5491 C CA . VAL B 315 ? 0.1643 0.1986 0.2184 0.0171 0.0908 0.0097 395 VAL B CA 5492 C C . VAL B 315 ? 0.1562 0.1786 0.2046 0.0038 0.0622 -0.0032 395 VAL B C 5493 O O . VAL B 315 ? 0.1907 0.1756 0.2458 0.0114 0.0742 0.0096 395 VAL B O 5494 C CB . VAL B 315 ? 0.1961 0.2429 0.2366 0.0264 0.1072 0.0335 395 VAL B CB 5495 C CG1 . VAL B 315 ? 0.2082 0.2622 0.2466 0.0281 0.0915 0.0496 395 VAL B CG1 5496 C CG2 . VAL B 315 ? 0.2292 0.2643 0.2809 0.0375 0.1104 0.0085 395 VAL B CG2 5497 N N . GLU B 316 ? 0.1300 0.1637 0.1453 0.0143 0.0498 -0.0026 396 GLU B N 5498 C CA . GLU B 316 ? 0.1297 0.1510 0.1135 0.0111 0.0149 -0.0068 396 GLU B CA 5499 C C . GLU B 316 ? 0.1306 0.1394 0.1699 -0.0030 0.0093 0.0078 396 GLU B C 5500 O O . GLU B 316 ? 0.1290 0.1436 0.1967 -0.0104 0.0158 0.0240 396 GLU B O 5501 C CB . GLU B 316 ? 0.1553 0.1611 0.0928 0.0020 0.0021 -0.0071 396 GLU B CB 5502 C CG . GLU B 316 ? 0.1779 0.1841 0.0829 -0.0242 -0.0222 -0.0119 396 GLU B CG 5503 C CD . GLU B 316 ? 0.2148 0.2197 0.1832 -0.0185 -0.0329 -0.0052 396 GLU B CD 5504 O OE1 . GLU B 316 ? 0.2123 0.2483 0.2280 -0.0253 -0.0091 -0.0267 396 GLU B OE1 5505 O OE2 . GLU B 316 ? 0.2578 0.2386 0.2288 -0.0105 -0.0581 0.0208 396 GLU B OE2 5506 N N . VAL B 317 ? 0.1257 0.1258 0.1320 -0.0177 0.0021 0.0267 397 VAL B N 5507 C CA . VAL B 317 ? 0.1249 0.1281 0.1134 -0.0017 -0.0065 0.0012 397 VAL B CA 5508 C C . VAL B 317 ? 0.1227 0.1287 0.0912 0.0024 -0.0200 -0.0026 397 VAL B C 5509 O O . VAL B 317 ? 0.1373 0.1379 0.1122 0.0063 -0.0374 -0.0230 397 VAL B O 5510 C CB . VAL B 317 ? 0.1505 0.1305 0.0817 -0.0030 -0.0085 -0.0009 397 VAL B CB 5511 C CG1 . VAL B 317 ? 0.1605 0.1528 0.0912 -0.0117 0.0325 -0.0120 397 VAL B CG1 5512 C CG2 . VAL B 317 ? 0.1627 0.1248 0.1257 -0.0004 -0.0444 -0.0361 397 VAL B CG2 5513 N N . LEU B 318 ? 0.1250 0.1281 0.0953 -0.0078 0.0052 0.0001 398 LEU B N 5514 C CA . LEU B 318 ? 0.1183 0.1069 0.1141 -0.0117 -0.0046 0.0071 398 LEU B CA 5515 C C . LEU B 318 ? 0.1319 0.1074 0.1190 -0.0180 -0.0014 -0.0147 398 LEU B C 5516 O O . LEU B 318 ? 0.1287 0.1181 0.1481 -0.0121 0.0077 -0.0154 398 LEU B O 5517 C CB . LEU B 318 ? 0.1127 0.0936 0.1358 -0.0049 0.0223 0.0230 398 LEU B CB 5518 C CG . LEU B 318 ? 0.1137 0.0803 0.1564 -0.0030 0.0214 0.0015 398 LEU B CG 5519 C CD1 . LEU B 318 ? 0.0928 0.0790 0.1705 -0.0010 0.0156 -0.0070 398 LEU B CD1 5520 C CD2 . LEU B 318 ? 0.1584 0.0926 0.2106 -0.0165 0.0453 -0.0118 398 LEU B CD2 5521 N N . ASN B 319 ? 0.1478 0.1092 0.1039 -0.0169 -0.0265 -0.0228 399 ASN B N 5522 C CA . ASN B 319 ? 0.1571 0.1229 0.1415 -0.0012 -0.0391 -0.0139 399 ASN B CA 5523 C C . ASN B 319 ? 0.1448 0.1512 0.1512 0.0069 -0.0289 -0.0009 399 ASN B C 5524 O O . ASN B 319 ? 0.1392 0.1651 0.1458 -0.0048 -0.0205 -0.0145 399 ASN B O 5525 C CB . ASN B 319 ? 0.1823 0.1502 0.1931 0.0010 -0.0279 -0.0470 399 ASN B CB 5526 C CG . ASN B 319 ? 0.1941 0.1595 0.2228 -0.0055 -0.0165 -0.0622 399 ASN B CG 5527 O OD1 . ASN B 319 ? 0.2193 0.1718 0.2430 -0.0023 0.0002 -0.0623 399 ASN B OD1 5528 N ND2 . ASN B 319 ? 0.2071 0.1799 0.2856 0.0066 -0.0001 -0.0373 399 ASN B ND2 5529 N N . ASN B 320 ? 0.1473 0.1624 0.1513 0.0424 -0.0560 -0.0058 400 ASN B N 5530 C CA . ASN B 320 ? 0.1570 0.1688 0.1738 0.0415 -0.0261 0.0159 400 ASN B CA 5531 C C . ASN B 320 ? 0.1765 0.1805 0.1746 0.0519 -0.0218 0.0169 400 ASN B C 5532 O O . ASN B 320 ? 0.2180 0.2050 0.2348 0.0762 0.0015 0.0420 400 ASN B O 5533 C CB . ASN B 320 ? 0.1583 0.1841 0.2145 0.0480 -0.0558 0.0370 400 ASN B CB 5534 C CG . ASN B 320 ? 0.1845 0.2211 0.2449 0.0264 -0.0477 0.0128 400 ASN B CG 5535 O OD1 . ASN B 320 ? 0.1857 0.2162 0.2573 0.0188 -0.0153 0.0076 400 ASN B OD1 5536 N ND2 . ASN B 320 ? 0.2234 0.2526 0.2268 0.0192 -0.0687 -0.0135 400 ASN B ND2 5537 N N . LYS B 321 ? 0.1589 0.1947 0.1512 0.0135 -0.0307 -0.0354 401 LYS B N 5538 C CA . LYS B 321 ? 0.1611 0.2020 0.1488 -0.0172 -0.0433 -0.0594 401 LYS B CA 5539 C C . LYS B 321 ? 0.1396 0.1811 0.1265 -0.0202 -0.0330 -0.0473 401 LYS B C 5540 O O . LYS B 321 ? 0.1471 0.2355 0.1497 -0.0159 -0.0213 -0.0593 401 LYS B O 5541 C CB . LYS B 321 ? 0.2180 0.2634 0.2416 -0.0353 -0.0064 -0.0866 401 LYS B CB 5542 C CG . LYS B 321 ? 0.2781 0.3240 0.3698 -0.0481 -0.0145 -0.0928 401 LYS B CG 5543 C CD . LYS B 321 ? 0.3498 0.3858 0.4952 -0.0381 0.0010 -0.0766 401 LYS B CD 5544 C CE . LYS B 321 ? 0.4026 0.4286 0.5763 -0.0335 -0.0221 -0.0752 401 LYS B CE 5545 N NZ . LYS B 321 ? 0.4284 0.4653 0.6168 -0.0366 -0.0501 -0.0670 401 LYS B NZ 5546 N N . ASN B 322 ? 0.1230 0.1292 0.1185 -0.0072 -0.0668 -0.0457 402 ASN B N 5547 C CA . ASN B 322 ? 0.1332 0.1011 0.1530 0.0083 -0.0585 -0.0089 402 ASN B CA 5548 C C . ASN B 322 ? 0.1267 0.0961 0.1655 -0.0114 -0.0291 -0.0148 402 ASN B C 5549 O O . ASN B 322 ? 0.1177 0.0983 0.1786 -0.0010 -0.0040 -0.0139 402 ASN B O 5550 C CB . ASN B 322 ? 0.1315 0.0984 0.1557 0.0120 -0.0482 0.0236 402 ASN B CB 5551 C CG . ASN B 322 ? 0.1523 0.1336 0.1945 0.0220 -0.0284 0.0165 402 ASN B CG 5552 O OD1 . ASN B 322 ? 0.1814 0.1710 0.1974 0.0477 -0.0049 -0.0145 402 ASN B OD1 5553 N ND2 . ASN B 322 ? 0.1602 0.1327 0.2573 -0.0008 -0.0284 0.0229 402 ASN B ND2 5554 N N . TRP B 323 ? 0.1268 0.1000 0.1536 -0.0183 -0.0170 -0.0138 403 TRP B N 5555 C CA . TRP B 323 ? 0.1422 0.1237 0.1051 -0.0350 0.0049 0.0008 403 TRP B CA 5556 C C . TRP B 323 ? 0.1429 0.1351 0.1050 -0.0112 -0.0275 -0.0203 403 TRP B C 5557 O O . TRP B 323 ? 0.1155 0.1307 0.1359 -0.0049 -0.0259 -0.0046 403 TRP B O 5558 C CB . TRP B 323 ? 0.1431 0.1360 0.1132 -0.0347 0.0188 0.0116 403 TRP B CB 5559 C CG . TRP B 323 ? 0.1579 0.1581 0.1034 -0.0206 0.0000 0.0041 403 TRP B CG 5560 C CD1 . TRP B 323 ? 0.1527 0.1599 0.1005 -0.0054 -0.0045 -0.0121 403 TRP B CD1 5561 C CD2 . TRP B 323 ? 0.1647 0.1838 0.1440 -0.0060 -0.0095 0.0101 403 TRP B CD2 5562 N NE1 . TRP B 323 ? 0.1561 0.1895 0.1258 -0.0040 -0.0405 0.0074 403 TRP B NE1 5563 C CE2 . TRP B 323 ? 0.1658 0.1988 0.1275 0.0027 -0.0308 0.0245 403 TRP B CE2 5564 C CE3 . TRP B 323 ? 0.1668 0.1965 0.1629 -0.0061 -0.0177 0.0272 403 TRP B CE3 5565 C CZ2 . TRP B 323 ? 0.1838 0.2330 0.1556 -0.0097 -0.0245 0.0143 403 TRP B CZ2 5566 C CZ3 . TRP B 323 ? 0.1838 0.2209 0.1258 -0.0145 -0.0152 0.0023 403 TRP B CZ3 5567 C CH2 . TRP B 323 ? 0.1907 0.2384 0.1227 -0.0072 -0.0096 0.0129 403 TRP B CH2 5568 N N . SER B 324 ? 0.1376 0.1123 0.0765 -0.0225 -0.0259 -0.0297 404 SER B N 5569 C CA . SER B 324 ? 0.1121 0.1185 0.0981 -0.0212 -0.0133 -0.0172 404 SER B CA 5570 C C . SER B 324 ? 0.1270 0.1085 0.0739 0.0038 -0.0113 -0.0132 404 SER B C 5571 O O . SER B 324 ? 0.1143 0.1070 0.1101 0.0158 -0.0047 -0.0150 404 SER B O 5572 C CB . SER B 324 ? 0.0777 0.1338 0.1084 0.0211 -0.0189 -0.0040 404 SER B CB 5573 O OG . SER B 324 ? 0.0695 0.1319 0.1073 0.0246 -0.0180 0.0026 404 SER B OG 5574 N N . GLY B 325 ? 0.1279 0.0939 0.0725 -0.0057 -0.0221 -0.0565 405 GLY B N 5575 C CA . GLY B 325 ? 0.1374 0.1056 0.0812 0.0135 -0.0006 -0.0367 405 GLY B CA 5576 C C . GLY B 325 ? 0.1202 0.1116 0.0621 0.0070 -0.0283 -0.0140 405 GLY B C 5577 O O . GLY B 325 ? 0.1141 0.1166 0.1157 0.0187 -0.0013 0.0046 405 GLY B O 5578 N N . TYR B 326 ? 0.1234 0.1040 0.0395 0.0163 -0.0481 -0.0114 406 TYR B N 5579 C CA . TYR B 326 ? 0.1122 0.1072 0.0628 -0.0016 -0.0539 -0.0089 406 TYR B CA 5580 C C . TYR B 326 ? 0.1168 0.1185 0.0615 -0.0086 -0.0094 -0.0226 406 TYR B C 5581 O O . TYR B 326 ? 0.1240 0.1352 0.0920 0.0145 0.0064 0.0092 406 TYR B O 5582 C CB . TYR B 326 ? 0.1008 0.0846 0.0807 -0.0215 -0.0568 -0.0208 406 TYR B CB 5583 C CG . TYR B 326 ? 0.0989 0.1156 0.0969 0.0078 -0.0006 -0.0166 406 TYR B CG 5584 C CD1 . TYR B 326 ? 0.1050 0.1185 0.0916 -0.0001 0.0171 -0.0033 406 TYR B CD1 5585 C CD2 . TYR B 326 ? 0.0939 0.1194 0.1336 0.0139 0.0325 -0.0131 406 TYR B CD2 5586 C CE1 . TYR B 326 ? 0.0874 0.1182 0.1063 -0.0163 0.0310 0.0043 406 TYR B CE1 5587 C CE2 . TYR B 326 ? 0.1047 0.1289 0.1284 0.0265 0.0070 0.0070 406 TYR B CE2 5588 C CZ . TYR B 326 ? 0.1130 0.1424 0.1322 0.0171 0.0080 -0.0061 406 TYR B CZ 5589 O OH . TYR B 326 ? 0.1158 0.1635 0.1291 0.0247 -0.0231 -0.0027 406 TYR B OH 5590 N N . SER B 327 ? 0.0934 0.1223 0.0969 -0.0047 0.0046 0.0114 407 SER B N 5591 C CA . SER B 327 ? 0.0872 0.1028 0.0922 -0.0108 0.0036 0.0184 407 SER B CA 5592 C C . SER B 327 ? 0.0965 0.1131 0.1020 -0.0118 -0.0184 0.0153 407 SER B C 5593 O O . SER B 327 ? 0.1051 0.1131 0.1014 0.0056 0.0050 0.0194 407 SER B O 5594 C CB . SER B 327 ? 0.0869 0.1128 0.1365 0.0062 -0.0042 0.0119 407 SER B CB 5595 O OG . SER B 327 ? 0.0696 0.0917 0.1399 0.0086 0.0016 0.0043 407 SER B OG 5596 N N . GLY B 328 ? 0.0950 0.1058 0.0488 -0.0275 0.0047 -0.0021 408 GLY B N 5597 C CA . GLY B 328 ? 0.1071 0.1112 0.0407 -0.0178 -0.0262 -0.0114 408 GLY B CA 5598 C C . GLY B 328 ? 0.1191 0.1177 0.0814 -0.0115 -0.0050 0.0048 408 GLY B C 5599 O O . GLY B 328 ? 0.1293 0.1210 0.1132 -0.0060 -0.0254 0.0054 408 GLY B O 5600 N N . ALA B 329 ? 0.1110 0.1433 0.0585 0.0057 0.0230 0.0039 409 ALA B N 5601 C CA . ALA B 329 ? 0.1002 0.1575 0.0833 0.0143 0.0142 0.0172 409 ALA B CA 5602 C C . ALA B 329 ? 0.1158 0.1401 0.1188 0.0039 -0.0078 0.0159 409 ALA B C 5603 O O . ALA B 329 ? 0.1326 0.1289 0.1415 -0.0126 -0.0240 0.0357 409 ALA B O 5604 C CB . ALA B 329 ? 0.0937 0.1602 0.0806 0.0283 0.0222 0.0014 409 ALA B CB 5605 N N . PHE B 330 ? 0.1137 0.1390 0.1270 0.0168 -0.0222 0.0054 410 PHE B N 5606 C CA . PHE B 330 ? 0.1069 0.1300 0.1064 0.0024 -0.0003 0.0081 410 PHE B CA 5607 C C . PHE B 330 ? 0.1241 0.1352 0.1135 -0.0106 0.0037 0.0224 410 PHE B C 5608 O O . PHE B 330 ? 0.1156 0.1506 0.1124 -0.0297 -0.0137 0.0167 410 PHE B O 5609 C CB . PHE B 330 ? 0.1117 0.1172 0.1259 0.0090 0.0018 -0.0089 410 PHE B CB 5610 C CG . PHE B 330 ? 0.1147 0.1337 0.1299 0.0256 0.0035 -0.0158 410 PHE B CG 5611 C CD1 . PHE B 330 ? 0.1165 0.1333 0.1133 0.0047 0.0285 -0.0019 410 PHE B CD1 5612 C CD2 . PHE B 330 ? 0.1146 0.1275 0.1405 0.0195 0.0228 0.0032 410 PHE B CD2 5613 C CE1 . PHE B 330 ? 0.0987 0.1326 0.1304 0.0228 0.0272 0.0126 410 PHE B CE1 5614 C CE2 . PHE B 330 ? 0.1026 0.1293 0.1150 0.0287 -0.0098 -0.0006 410 PHE B CE2 5615 C CZ . PHE B 330 ? 0.1028 0.1364 0.1122 0.0313 0.0155 0.0105 410 PHE B CZ 5616 N N . THR B 331 ? 0.1474 0.1438 0.0827 -0.0116 0.0138 0.0348 411 THR B N 5617 C CA . THR B 331 ? 0.1487 0.1485 0.0658 0.0146 0.0335 0.0226 411 THR B CA 5618 C C . THR B 331 ? 0.1426 0.1638 0.1072 0.0275 0.0102 0.0398 411 THR B C 5619 O O . THR B 331 ? 0.1450 0.1691 0.1463 0.0449 0.0130 0.0519 411 THR B O 5620 C CB . THR B 331 ? 0.1739 0.1480 0.1128 0.0288 0.0240 -0.0072 411 THR B CB 5621 O OG1 . THR B 331 ? 0.1933 0.1530 0.1417 0.0325 -0.0029 0.0004 411 THR B OG1 5622 C CG2 . THR B 331 ? 0.1646 0.1623 0.1052 0.0313 0.0350 -0.0159 411 THR B CG2 5623 N N . ILE B 332 ? 0.1443 0.1537 0.0971 0.0169 0.0064 0.0298 412 ILE B N 5624 C CA . ILE B 332 ? 0.1802 0.1321 0.1026 0.0339 -0.0152 0.0185 412 ILE B CA 5625 C C . ILE B 332 ? 0.1856 0.1476 0.1197 0.0153 0.0036 0.0081 412 ILE B C 5626 O O . ILE B 332 ? 0.1662 0.1650 0.1546 0.0204 -0.0109 0.0252 412 ILE B O 5627 C CB . ILE B 332 ? 0.2245 0.1541 0.1592 0.0569 -0.0236 -0.0063 412 ILE B CB 5628 C CG1 . ILE B 332 ? 0.2695 0.1706 0.1979 0.0804 -0.0564 -0.0380 412 ILE B CG1 5629 C CG2 . ILE B 332 ? 0.2180 0.1750 0.1989 0.0567 -0.0323 0.0242 412 ILE B CG2 5630 C CD1 . ILE B 332 ? 0.2884 0.1885 0.2559 0.0884 -0.0598 -0.0510 412 ILE B CD1 5631 N N . PRO B 333 ? 0.2069 0.1718 0.1349 0.0032 -0.0025 0.0245 413 PRO B N 5632 C CA . PRO B 333 ? 0.2240 0.1797 0.1151 0.0006 -0.0033 0.0511 413 PRO B CA 5633 C C . PRO B 333 ? 0.2421 0.1952 0.1497 0.0023 -0.0125 0.0513 413 PRO B C 5634 O O . PRO B 333 ? 0.2320 0.2080 0.1568 0.0186 -0.0296 0.0575 413 PRO B O 5635 C CB . PRO B 333 ? 0.2296 0.1949 0.1412 -0.0133 0.0019 0.0302 413 PRO B CB 5636 C CG . PRO B 333 ? 0.2332 0.2111 0.1335 -0.0133 -0.0125 0.0168 413 PRO B CG 5637 C CD . PRO B 333 ? 0.2173 0.2040 0.1684 -0.0110 -0.0230 0.0111 413 PRO B CD 5638 N N . ILE B 334 A 0.2837 0.2137 0.1719 0.0064 -0.0006 0.0412 413 ILE B N 5639 C CA . ILE B 334 A 0.3291 0.2380 0.2087 0.0118 0.0040 0.0678 413 ILE B CA 5640 C C . ILE B 334 A 0.3275 0.2529 0.2156 0.0050 -0.0323 0.0571 413 ILE B C 5641 O O . ILE B 334 A 0.3349 0.2393 0.1942 0.0125 -0.0498 0.0498 413 ILE B O 5642 C CB . ILE B 334 A 0.3803 0.2694 0.2731 0.0264 0.0563 0.1226 413 ILE B CB 5643 C CG1 . ILE B 334 A 0.3976 0.2930 0.3257 0.0238 0.0721 0.0933 413 ILE B CG1 5644 C CG2 . ILE B 334 A 0.4104 0.2983 0.3522 0.0156 0.0611 0.0927 413 ILE B CG2 5645 C CD1 . ILE B 334 A 0.4118 0.3024 0.3515 0.0237 0.0776 0.1046 413 ILE B CD1 5646 N N . THR B 335 B 0.3218 0.2826 0.2496 0.0014 -0.0561 0.0830 413 THR B N 5647 C CA . THR B 335 B 0.3123 0.3095 0.2778 0.0100 -0.0739 0.1174 413 THR B CA 5648 C C . THR B 335 B 0.3071 0.3357 0.2971 0.0362 -0.0692 0.1178 413 THR B C 5649 O O . THR B 335 B 0.3222 0.3450 0.3501 0.0447 -0.1003 0.0980 413 THR B O 5650 C CB . THR B 335 B 0.3138 0.3389 0.3052 -0.0067 -0.0819 0.1217 413 THR B CB 5651 O OG1 . THR B 335 B 0.3299 0.3483 0.3256 -0.0178 -0.0975 0.1568 413 THR B OG1 5652 C CG2 . THR B 335 B 0.3094 0.3406 0.3260 -0.0067 -0.0734 0.0966 413 THR B CG2 5653 N N . MET B 336 C 0.2948 0.3496 0.2479 0.0420 -0.0514 0.1204 413 MET B N 5654 C CA . MET B 336 C 0.3067 0.3689 0.2856 0.0781 -0.0140 0.1046 413 MET B CA 5655 C C . MET B 336 C 0.2888 0.3425 0.3106 0.1007 0.0299 0.0726 413 MET B C 5656 O O . MET B 336 C 0.2905 0.3517 0.3629 0.1208 0.0316 0.0653 413 MET B O 5657 C CB . MET B 336 C 0.3585 0.4086 0.3253 0.0759 -0.0161 0.1345 413 MET B CB 5658 C CG . MET B 336 C 0.4130 0.4740 0.4077 0.0631 0.0054 0.1268 413 MET B CG 5659 S SD . MET B 336 C 0.4520 0.5238 0.4868 0.0565 0.0173 0.1063 413 MET B SD 5660 C CE . MET B 336 C 0.4514 0.5158 0.5122 0.0636 0.0282 0.1042 413 MET B CE 5661 N N . THR B 337 D 0.2688 0.3155 0.2715 0.0918 0.0421 0.0488 413 THR B N 5662 C CA . THR B 337 D 0.2690 0.2804 0.2472 0.0757 0.0388 0.0393 413 THR B CA 5663 C C . THR B 337 D 0.3054 0.2738 0.2797 0.0750 0.0405 0.0451 413 THR B C 5664 O O . THR B 337 D 0.3336 0.2482 0.2904 0.0685 0.0381 0.0159 413 THR B O 5665 C CB . THR B 337 D 0.2293 0.2489 0.2105 0.0579 0.0408 0.0340 413 THR B CB 5666 O OG1 . THR B 337 D 0.2193 0.2240 0.1793 0.0480 0.0337 0.0237 413 THR B OG1 5667 C CG2 . THR B 337 D 0.2356 0.2516 0.2342 0.0422 0.0191 0.0363 413 THR B CG2 5668 N N . SER B 338 ? 0.3030 0.2935 0.2753 0.0924 0.0166 0.0656 414 SER B N 5669 C CA . SER B 338 ? 0.3227 0.3307 0.3071 0.0943 -0.0124 0.0844 414 SER B CA 5670 C C . SER B 338 ? 0.3423 0.3351 0.3015 0.0718 0.0021 0.1018 414 SER B C 5671 O O . SER B 338 ? 0.3585 0.3488 0.3205 0.0619 0.0052 0.1091 414 SER B O 5672 C CB . SER B 338 ? 0.3338 0.3667 0.3714 0.0995 -0.0336 0.0742 414 SER B CB 5673 O OG . SER B 338 ? 0.3483 0.3982 0.4144 0.0906 -0.0692 0.0636 414 SER B OG 5674 N N . LYS B 339 ? 0.3279 0.3098 0.2642 0.0688 0.0101 0.1020 415 LYS B N 5675 C CA . LYS B 339 ? 0.3131 0.2922 0.2453 0.0485 0.0368 0.0922 415 LYS B CA 5676 C C . LYS B 339 ? 0.3179 0.2676 0.2394 0.0436 0.0299 0.0952 415 LYS B C 5677 O O . LYS B 339 ? 0.3282 0.2683 0.2329 0.0449 0.0332 0.0549 415 LYS B O 5678 C CB . LYS B 339 ? 0.3121 0.3096 0.2424 0.0379 0.0422 0.1032 415 LYS B CB 5679 C CG . LYS B 339 ? 0.3381 0.3565 0.3114 0.0253 0.0270 0.0747 415 LYS B CG 5680 C CD . LYS B 339 ? 0.3637 0.4043 0.3753 0.0092 0.0153 0.0665 415 LYS B CD 5681 C CE . LYS B 339 ? 0.4013 0.4582 0.4362 0.0100 -0.0118 0.0504 415 LYS B CE 5682 N NZ . LYS B 339 ? 0.4341 0.4899 0.4989 0.0146 -0.0111 0.0316 415 LYS B NZ 5683 N N . GLN B 340 ? 0.3150 0.2614 0.2387 0.0478 0.0456 0.1031 416 GLN B N 5684 C CA . GLN B 340 ? 0.3176 0.2830 0.2497 0.0409 0.0584 0.0942 416 GLN B CA 5685 C C . GLN B 340 ? 0.2844 0.2441 0.2066 0.0413 0.0461 0.0773 416 GLN B C 5686 O O . GLN B 340 ? 0.3043 0.2795 0.2120 0.0245 0.0373 0.0448 416 GLN B O 5687 C CB . GLN B 340 ? 0.3639 0.3334 0.3269 0.0453 0.0680 0.0819 416 GLN B CB 5688 C CG . GLN B 340 ? 0.4185 0.3873 0.4490 0.0486 0.0390 0.0506 416 GLN B CG 5689 C CD . GLN B 340 ? 0.4720 0.4289 0.5621 0.0626 0.0257 0.0121 416 GLN B CD 5690 O OE1 . GLN B 340 ? 0.5011 0.4466 0.6378 0.0717 0.0139 0.0028 416 GLN B OE1 5691 N NE2 . GLN B 340 ? 0.4824 0.4439 0.5785 0.0687 0.0313 0.0076 416 GLN B NE2 5692 N N . CYS B 341 ? 0.2392 0.1942 0.1385 0.0386 0.0426 0.0833 417 CYS B N 5693 C CA . CYS B 341 ? 0.2437 0.1799 0.1568 0.0149 0.0613 0.0455 417 CYS B CA 5694 C C . CYS B 341 ? 0.2319 0.1464 0.1381 0.0044 0.0610 0.0313 417 CYS B C 5695 O O . CYS B 341 ? 0.2372 0.1542 0.1680 0.0067 0.0581 0.0327 417 CYS B O 5696 C CB . CYS B 341 ? 0.2637 0.1933 0.2181 0.0237 0.0463 0.0252 417 CYS B CB 5697 S SG . CYS B 341 ? 0.2905 0.2452 0.2875 0.0171 0.0393 0.0242 417 CYS B SG 5698 N N . LEU B 342 ? 0.2184 0.1269 0.0902 0.0002 0.0337 0.0083 418 LEU B N 5699 C CA . LEU B 342 ? 0.1982 0.1266 0.1110 0.0232 0.0362 -0.0172 418 LEU B CA 5700 C C . LEU B 342 ? 0.1832 0.1398 0.1154 0.0358 0.0224 -0.0093 418 LEU B C 5701 O O . LEU B 342 ? 0.1624 0.1658 0.1659 0.0231 -0.0001 -0.0184 418 LEU B O 5702 C CB . LEU B 342 ? 0.2104 0.1303 0.1332 0.0131 0.0390 0.0083 418 LEU B CB 5703 C CG . LEU B 342 ? 0.2237 0.1367 0.1757 0.0397 0.0064 -0.0121 418 LEU B CG 5704 C CD1 . LEU B 342 ? 0.2229 0.1389 0.1779 0.0496 0.0020 0.0085 418 LEU B CD1 5705 C CD2 . LEU B 342 ? 0.2473 0.1583 0.2443 0.0260 0.0189 -0.0461 418 LEU B CD2 5706 N N . VAL B 343 ? 0.1867 0.1346 0.1122 0.0273 0.0121 0.0099 419 VAL B N 5707 C CA . VAL B 343 ? 0.1886 0.1314 0.1005 0.0255 0.0128 0.0046 419 VAL B CA 5708 C C . VAL B 343 ? 0.1592 0.1346 0.1371 0.0205 0.0228 0.0106 419 VAL B C 5709 O O . VAL B 343 ? 0.1409 0.1422 0.1348 0.0186 0.0312 0.0052 419 VAL B O 5710 C CB . VAL B 343 ? 0.2251 0.1383 0.1122 0.0434 0.0197 0.0187 419 VAL B CB 5711 C CG1 . VAL B 343 ? 0.2351 0.1283 0.1026 0.0312 0.0120 0.0014 419 VAL B CG1 5712 C CG2 . VAL B 343 ? 0.2390 0.1467 0.1232 0.0547 0.0329 0.0576 419 VAL B CG2 5713 N N . PRO B 344 ? 0.1327 0.1373 0.1170 -0.0090 0.0169 0.0178 420 PRO B N 5714 C CA . PRO B 344 ? 0.1340 0.1401 0.1297 0.0066 0.0320 0.0070 420 PRO B CA 5715 C C . PRO B 344 ? 0.1316 0.1384 0.1193 0.0099 0.0419 -0.0092 420 PRO B C 5716 O O . PRO B 344 ? 0.1583 0.1366 0.1175 0.0097 0.0539 0.0087 420 PRO B O 5717 C CB . PRO B 344 ? 0.1253 0.1199 0.1493 -0.0151 0.0481 0.0367 420 PRO B CB 5718 C CG . PRO B 344 ? 0.1479 0.1302 0.1332 -0.0078 0.0315 0.0435 420 PRO B CG 5719 C CD . PRO B 344 ? 0.1309 0.1487 0.1187 -0.0101 -0.0102 0.0208 420 PRO B CD 5720 N N . CYS B 345 ? 0.1183 0.1385 0.0925 0.0134 0.0302 -0.0097 421 CYS B N 5721 C CA . CYS B 345 ? 0.1051 0.1313 0.1008 0.0195 0.0074 0.0017 421 CYS B CA 5722 C C . CYS B 345 ? 0.1005 0.1232 0.0699 0.0113 0.0016 -0.0105 421 CYS B C 5723 O O . CYS B 345 ? 0.1206 0.1231 0.0970 0.0068 0.0094 -0.0159 421 CYS B O 5724 C CB . CYS B 345 ? 0.1339 0.1374 0.1137 0.0180 -0.0002 0.0423 421 CYS B CB 5725 S SG . CYS B 345 ? 0.1785 0.1507 0.1343 0.0187 -0.0193 0.0119 421 CYS B SG 5726 N N . PHE B 346 ? 0.0958 0.1130 0.0679 0.0164 -0.0034 0.0081 422 PHE B N 5727 C CA . PHE B 346 ? 0.0944 0.1145 0.0893 0.0102 -0.0110 0.0068 422 PHE B CA 5728 C C . PHE B 346 ? 0.1113 0.1237 0.1101 -0.0055 -0.0064 -0.0117 422 PHE B C 5729 O O . PHE B 346 ? 0.1051 0.1339 0.1346 0.0077 0.0200 0.0095 422 PHE B O 5730 C CB . PHE B 346 ? 0.1091 0.1070 0.1360 0.0003 -0.0304 -0.0075 422 PHE B CB 5731 C CG . PHE B 346 ? 0.1166 0.1014 0.1403 0.0022 -0.0266 -0.0103 422 PHE B CG 5732 C CD1 . PHE B 346 ? 0.1179 0.0842 0.1573 -0.0089 -0.0078 -0.0052 422 PHE B CD1 5733 C CD2 . PHE B 346 ? 0.1193 0.0993 0.1266 0.0011 -0.0163 -0.0097 422 PHE B CD2 5734 C CE1 . PHE B 346 ? 0.1323 0.0895 0.1429 0.0014 0.0058 0.0200 422 PHE B CE1 5735 C CE2 . PHE B 346 ? 0.1301 0.0814 0.1157 -0.0086 0.0019 0.0046 422 PHE B CE2 5736 C CZ . PHE B 346 ? 0.1260 0.0811 0.1094 -0.0030 0.0257 0.0184 422 PHE B CZ 5737 N N . TRP B 347 ? 0.1011 0.1093 0.0904 -0.0045 -0.0017 -0.0061 423 TRP B N 5738 C CA . TRP B 347 ? 0.0910 0.1162 0.0746 0.0071 -0.0160 0.0023 423 TRP B CA 5739 C C . TRP B 347 ? 0.1034 0.1055 0.1151 0.0127 0.0025 -0.0010 423 TRP B C 5740 O O . TRP B 347 ? 0.0991 0.1026 0.1078 -0.0049 -0.0068 0.0056 423 TRP B O 5741 C CB . TRP B 347 ? 0.0873 0.1156 0.0980 -0.0044 -0.0403 -0.0052 423 TRP B CB 5742 C CG . TRP B 347 ? 0.0933 0.1145 0.1086 -0.0070 -0.0398 -0.0080 423 TRP B CG 5743 C CD1 . TRP B 347 ? 0.0857 0.1159 0.0967 -0.0171 -0.0414 -0.0129 423 TRP B CD1 5744 C CD2 . TRP B 347 ? 0.0930 0.1197 0.0756 0.0017 -0.0356 0.0056 423 TRP B CD2 5745 N NE1 . TRP B 347 ? 0.0764 0.1275 0.1264 -0.0159 -0.0462 0.0130 423 TRP B NE1 5746 C CE2 . TRP B 347 ? 0.0875 0.1266 0.0882 -0.0020 -0.0327 -0.0028 423 TRP B CE2 5747 C CE3 . TRP B 347 ? 0.0788 0.1269 0.0684 -0.0200 -0.0102 0.0272 423 TRP B CE3 5748 C CZ2 . TRP B 347 ? 0.0783 0.1119 0.0894 -0.0069 0.0015 0.0055 423 TRP B CZ2 5749 C CZ3 . TRP B 347 ? 0.0669 0.1281 0.1119 -0.0286 -0.0192 0.0050 423 TRP B CZ3 5750 C CH2 . TRP B 347 ? 0.0710 0.1238 0.1078 -0.0098 0.0048 -0.0117 423 TRP B CH2 5751 N N . LEU B 348 ? 0.1188 0.0959 0.0682 0.0123 0.0045 -0.0085 424 LEU B N 5752 C CA . LEU B 348 ? 0.1139 0.1000 0.0613 0.0042 -0.0034 -0.0116 424 LEU B CA 5753 C C . LEU B 348 ? 0.1009 0.1047 0.0930 0.0017 -0.0041 0.0001 424 LEU B C 5754 O O . LEU B 348 ? 0.1130 0.1162 0.1258 0.0097 0.0042 0.0186 424 LEU B O 5755 C CB . LEU B 348 ? 0.1255 0.0912 0.0734 0.0032 -0.0497 -0.0133 424 LEU B CB 5756 C CG . LEU B 348 ? 0.1404 0.0778 0.0730 0.0142 -0.0402 -0.0065 424 LEU B CG 5757 C CD1 . LEU B 348 ? 0.1443 0.0983 0.1217 0.0112 -0.0593 -0.0149 424 LEU B CD1 5758 C CD2 . LEU B 348 ? 0.1528 0.0835 0.1420 0.0180 -0.0016 -0.0233 424 LEU B CD2 5759 N N . GLU B 349 ? 0.1118 0.0881 0.0822 -0.0210 0.0090 -0.0024 425 GLU B N 5760 C CA . GLU B 349 ? 0.1107 0.0902 0.0952 -0.0105 -0.0090 -0.0014 425 GLU B CA 5761 C C . GLU B 349 ? 0.1032 0.1032 0.0789 0.0072 0.0011 -0.0031 425 GLU B C 5762 O O . GLU B 349 ? 0.1043 0.1389 0.1284 0.0232 0.0122 -0.0050 425 GLU B O 5763 C CB . GLU B 349 ? 0.1313 0.0758 0.1075 -0.0354 0.0039 0.0010 425 GLU B CB 5764 C CG . GLU B 349 ? 0.1275 0.0678 0.0840 -0.0328 0.0076 0.0197 425 GLU B CG 5765 C CD . GLU B 349 ? 0.1281 0.0908 0.1112 -0.0166 -0.0114 0.0021 425 GLU B CD 5766 O OE1 . GLU B 349 ? 0.1452 0.1094 0.0909 0.0080 -0.0154 0.0139 425 GLU B OE1 5767 O OE2 . GLU B 349 ? 0.1093 0.0859 0.1063 -0.0298 -0.0089 -0.0125 425 GLU B OE2 5768 N N . MET B 350 ? 0.0968 0.1158 0.0350 -0.0009 -0.0058 0.0056 426 MET B N 5769 C CA . MET B 350 ? 0.1000 0.0987 0.0509 0.0066 0.0166 0.0064 426 MET B CA 5770 C C . MET B 350 ? 0.1151 0.1227 0.0533 0.0179 -0.0020 0.0174 426 MET B C 5771 O O . MET B 350 ? 0.1137 0.1305 0.0641 0.0134 -0.0210 -0.0069 426 MET B O 5772 C CB . MET B 350 ? 0.1077 0.0963 0.0875 -0.0074 0.0180 0.0134 426 MET B CB 5773 C CG . MET B 350 ? 0.1170 0.0993 0.1094 -0.0039 0.0185 0.0172 426 MET B CG 5774 S SD . MET B 350 ? 0.1266 0.1259 0.1433 -0.0043 -0.0123 -0.0098 426 MET B SD 5775 C CE . MET B 350 ? 0.1108 0.1427 0.1147 0.0110 -0.0473 0.0118 426 MET B CE 5776 N N . ILE B 351 ? 0.1213 0.1121 0.0481 0.0027 -0.0012 -0.0027 427 ILE B N 5777 C CA . ILE B 351 ? 0.1124 0.0937 0.0764 0.0098 -0.0014 0.0034 427 ILE B CA 5778 C C . ILE B 351 ? 0.0972 0.1163 0.0703 -0.0011 -0.0047 0.0109 427 ILE B C 5779 O O . ILE B 351 ? 0.0923 0.1317 0.1135 -0.0066 0.0010 -0.0151 427 ILE B O 5780 C CB . ILE B 351 ? 0.1249 0.0838 0.0616 0.0238 0.0145 0.0066 427 ILE B CB 5781 C CG1 . ILE B 351 ? 0.1162 0.0526 0.1121 0.0524 0.0167 0.0052 427 ILE B CG1 5782 C CG2 . ILE B 351 ? 0.1387 0.1074 0.0881 0.0129 0.0079 0.0196 427 ILE B CG2 5783 C CD1 . ILE B 351 ? 0.1385 0.0500 0.1225 0.0610 0.0181 -0.0182 427 ILE B CD1 5784 N N . ARG B 352 ? 0.0916 0.1173 0.0573 0.0074 -0.0210 -0.0139 428 ARG B N 5785 C CA . ARG B 352 ? 0.0975 0.1094 0.0634 0.0073 -0.0122 0.0002 428 ARG B CA 5786 C C . ARG B 352 ? 0.1121 0.1081 0.0573 -0.0066 -0.0122 0.0069 428 ARG B C 5787 O O . ARG B 352 ? 0.1239 0.1200 0.0883 -0.0266 -0.0038 -0.0010 428 ARG B O 5788 C CB . ARG B 352 ? 0.0756 0.1022 0.0733 0.0152 -0.0334 0.0000 428 ARG B CB 5789 C CG . ARG B 352 ? 0.0594 0.0893 0.0960 0.0028 -0.0189 0.0326 428 ARG B CG 5790 C CD . ARG B 352 ? 0.0818 0.1162 0.1312 0.0039 -0.0081 -0.0059 428 ARG B CD 5791 N NE . ARG B 352 ? 0.0953 0.1056 0.1444 -0.0141 -0.0214 -0.0535 428 ARG B NE 5792 C CZ . ARG B 352 ? 0.1206 0.1305 0.1233 -0.0135 -0.0196 -0.0385 428 ARG B CZ 5793 N NH1 . ARG B 352 ? 0.1227 0.1195 0.1425 -0.0083 -0.0142 0.0100 428 ARG B NH1 5794 N NH2 . ARG B 352 ? 0.1124 0.1588 0.1215 -0.0192 -0.0274 -0.0440 428 ARG B NH2 5795 N N . GLY B 353 ? 0.1108 0.1048 0.0761 -0.0048 -0.0328 0.0102 429 GLY B N 5796 C CA . GLY B 353 ? 0.1194 0.1152 0.0690 -0.0097 -0.0277 0.0226 429 GLY B CA 5797 C C . GLY B 353 ? 0.1335 0.1149 0.0741 0.0065 -0.0174 -0.0002 429 GLY B C 5798 O O . GLY B 353 ? 0.1471 0.1284 0.0895 -0.0066 -0.0279 0.0044 429 GLY B O 5799 N N . LYS B 354 ? 0.1366 0.1217 0.1023 0.0170 -0.0263 -0.0057 430 LYS B N 5800 C CA . LYS B 354 ? 0.1323 0.1299 0.1205 0.0284 -0.0036 0.0269 430 LYS B CA 5801 C C . LYS B 354 ? 0.1305 0.1484 0.1301 0.0250 -0.0311 0.0276 430 LYS B C 5802 O O . LYS B 354 ? 0.1429 0.1427 0.1348 0.0111 -0.0104 0.0258 430 LYS B O 5803 C CB . LYS B 354 ? 0.1648 0.1559 0.1215 0.0256 0.0316 0.0500 430 LYS B CB 5804 C CG . LYS B 354 ? 0.1890 0.1605 0.1352 0.0437 0.0477 0.0506 430 LYS B CG 5805 C CD . LYS B 354 ? 0.2147 0.1971 0.1851 0.0250 0.0433 0.0533 430 LYS B CD 5806 C CE . LYS B 354 ? 0.2272 0.2142 0.1866 0.0268 0.0200 0.0222 430 LYS B CE 5807 N NZ . LYS B 354 ? 0.2479 0.2247 0.2184 0.0284 -0.0165 0.0197 430 LYS B NZ 5808 N N . PRO B 355 ? 0.1154 0.1655 0.1440 0.0378 -0.0189 0.0165 431 PRO B N 5809 C CA . PRO B 355 ? 0.1361 0.1808 0.1202 0.0433 -0.0204 0.0083 431 PRO B CA 5810 C C . PRO B 355 ? 0.1641 0.2071 0.1208 0.0294 -0.0324 0.0037 431 PRO B C 5811 O O . PRO B 355 ? 0.2057 0.2284 0.1406 0.0231 -0.0567 -0.0032 431 PRO B O 5812 C CB . PRO B 355 ? 0.1324 0.1895 0.1445 0.0485 -0.0001 0.0197 431 PRO B CB 5813 C CG . PRO B 355 ? 0.1139 0.1742 0.1737 0.0539 -0.0119 0.0209 431 PRO B CG 5814 C CD . PRO B 355 ? 0.1029 0.1754 0.1480 0.0709 -0.0186 0.0069 431 PRO B CD 5815 N N . GLU B 356 ? 0.1607 0.2027 0.1077 0.0030 -0.0487 0.0022 432 GLU B N 5816 C CA . GLU B 356 ? 0.1735 0.2158 0.0734 -0.0105 -0.0373 -0.0031 432 GLU B CA 5817 C C . GLU B 356 ? 0.1626 0.2150 0.0992 0.0015 -0.0412 -0.0092 432 GLU B C 5818 O O . GLU B 356 ? 0.1711 0.2438 0.1601 0.0147 -0.0447 -0.0342 432 GLU B O 5819 C CB . GLU B 356 ? 0.1878 0.2472 0.1042 -0.0149 -0.0287 0.0156 432 GLU B CB 5820 C CG . GLU B 356 ? 0.2019 0.2789 0.1560 0.0006 -0.0229 -0.0129 432 GLU B CG 5821 C CD . GLU B 356 ? 0.2322 0.3157 0.2129 0.0266 -0.0293 0.0050 432 GLU B CD 5822 O OE1 . GLU B 356 ? 0.2439 0.3268 0.2278 0.0360 -0.0495 0.0039 432 GLU B OE1 5823 O OE2 . GLU B 356 ? 0.2226 0.3391 0.2178 0.0166 0.0073 0.0211 432 GLU B OE2 5824 N N . GLU B 357 ? 0.1441 0.1987 0.1215 0.0084 -0.0334 -0.0221 433 GLU B N 5825 C CA . GLU B 357 ? 0.1561 0.1930 0.1253 0.0073 -0.0541 0.0371 433 GLU B CA 5826 C C . GLU B 357 ? 0.1685 0.2212 0.1528 0.0162 -0.0422 0.0324 433 GLU B C 5827 O O . GLU B 357 ? 0.1898 0.2251 0.1910 0.0143 -0.0318 0.0010 433 GLU B O 5828 C CB . GLU B 357 ? 0.1513 0.1728 0.1335 -0.0090 -0.0518 0.0253 433 GLU B CB 5829 C CG . GLU B 357 ? 0.1517 0.1514 0.1350 -0.0072 -0.0320 0.0443 433 GLU B CG 5830 C CD . GLU B 357 ? 0.1473 0.1608 0.1620 -0.0016 -0.0405 0.0041 433 GLU B CD 5831 O OE1 . GLU B 357 ? 0.1249 0.1602 0.1413 -0.0093 -0.0305 -0.0045 433 GLU B OE1 5832 O OE2 . GLU B 357 ? 0.1685 0.1759 0.2120 0.0376 -0.0588 -0.0460 433 GLU B OE2 5833 N N . ARG B 358 ? 0.1942 0.2469 0.1422 0.0299 -0.0087 0.0413 434 ARG B N 5834 C CA . ARG B 358 ? 0.2235 0.2807 0.1698 0.0317 -0.0113 0.0586 434 ARG B CA 5835 C C . ARG B 358 ? 0.2257 0.2802 0.1774 0.0280 -0.0214 0.0483 434 ARG B C 5836 O O . ARG B 358 ? 0.2365 0.2799 0.2259 0.0118 -0.0083 0.0614 434 ARG B O 5837 C CB . ARG B 358 ? 0.2871 0.3552 0.2897 0.0247 -0.0146 0.0576 434 ARG B CB 5838 C CG . ARG B 358 ? 0.3569 0.4327 0.4324 0.0082 -0.0266 0.0482 434 ARG B CG 5839 C CD . ARG B 358 ? 0.4194 0.4883 0.5471 -0.0191 -0.0358 0.0383 434 ARG B CD 5840 N NE . ARG B 358 ? 0.4800 0.5302 0.6388 -0.0333 -0.0606 0.0220 434 ARG B NE 5841 C CZ . ARG B 358 ? 0.5268 0.5549 0.6958 -0.0360 -0.0597 0.0186 434 ARG B CZ 5842 N NH1 . ARG B 358 ? 0.5442 0.5611 0.7166 -0.0262 -0.0490 0.0211 434 ARG B NH1 5843 N NH2 . ARG B 358 ? 0.5367 0.5596 0.7150 -0.0470 -0.0573 0.0116 434 ARG B NH2 5844 N N . THR B 359 ? 0.2258 0.2822 0.1690 0.0289 -0.0163 0.0202 435 THR B N 5845 C CA . THR B 359 ? 0.2120 0.2720 0.1352 0.0170 -0.0407 -0.0110 435 THR B CA 5846 C C . THR B 359 ? 0.2005 0.2684 0.1221 0.0225 -0.0329 -0.0089 435 THR B C 5847 O O . THR B 359 ? 0.1990 0.3249 0.1310 0.0261 -0.0227 0.0019 435 THR B O 5848 C CB . THR B 359 ? 0.2476 0.2858 0.1017 -0.0014 -0.0858 -0.0131 435 THR B CB 5849 O OG1 . THR B 359 ? 0.2719 0.2766 0.1600 -0.0191 -0.0979 0.0062 435 THR B OG1 5850 C CG2 . THR B 359 ? 0.2511 0.3107 0.1253 -0.0028 -0.1130 -0.0215 435 THR B CG2 5851 N N . SER B 360 ? 0.1746 0.1993 0.1204 0.0107 -0.0352 -0.0132 436 SER B N 5852 C CA . SER B 360 ? 0.1688 0.1692 0.1067 -0.0005 -0.0201 0.0071 436 SER B CA 5853 C C . SER B 360 ? 0.1581 0.1687 0.1206 -0.0089 -0.0289 0.0264 436 SER B C 5854 O O . SER B 360 ? 0.1694 0.1775 0.1475 0.0013 -0.0259 0.0180 436 SER B O 5855 C CB . SER B 360 ? 0.1815 0.1499 0.1536 0.0081 -0.0186 0.0474 436 SER B CB 5856 O OG . SER B 360 ? 0.1868 0.1414 0.1847 0.0059 -0.0082 0.0397 436 SER B OG 5857 N N . ILE B 361 ? 0.1293 0.1526 0.1090 -0.0411 -0.0240 0.0244 437 ILE B N 5858 C CA . ILE B 361 ? 0.1319 0.1426 0.1019 -0.0168 0.0025 0.0346 437 ILE B CA 5859 C C . ILE B 361 ? 0.1434 0.1362 0.0879 -0.0106 -0.0087 -0.0008 437 ILE B C 5860 O O . ILE B 361 ? 0.1497 0.1440 0.0952 -0.0126 -0.0130 0.0123 437 ILE B O 5861 C CB . ILE B 361 ? 0.1353 0.1612 0.1187 0.0079 0.0193 0.0292 437 ILE B CB 5862 C CG1 . ILE B 361 ? 0.0969 0.1652 0.1562 -0.0130 0.0302 0.0334 437 ILE B CG1 5863 C CG2 . ILE B 361 ? 0.1875 0.1783 0.1101 0.0035 0.0343 0.0012 437 ILE B CG2 5864 C CD1 . ILE B 361 ? 0.1075 0.1730 0.1948 -0.0112 0.0016 0.0136 437 ILE B CD1 5865 N N . TRP B 362 ? 0.1506 0.1396 0.0544 0.0056 -0.0130 0.0084 438 TRP B N 5866 C CA . TRP B 362 ? 0.1327 0.1380 0.0808 0.0066 -0.0292 0.0176 438 TRP B CA 5867 C C . TRP B 362 ? 0.1258 0.1398 0.0874 0.0157 -0.0073 0.0118 438 TRP B C 5868 O O . TRP B 362 ? 0.1254 0.1462 0.1207 0.0134 -0.0245 0.0244 438 TRP B O 5869 C CB . TRP B 362 ? 0.1463 0.1245 0.0921 0.0040 -0.0069 0.0122 438 TRP B CB 5870 C CG . TRP B 362 ? 0.1262 0.1207 0.0720 -0.0172 -0.0129 -0.0274 438 TRP B CG 5871 C CD1 . TRP B 362 ? 0.1324 0.1252 0.1153 -0.0238 -0.0187 -0.0052 438 TRP B CD1 5872 C CD2 . TRP B 362 ? 0.1255 0.1080 0.0805 0.0033 -0.0049 0.0017 438 TRP B CD2 5873 N NE1 . TRP B 362 ? 0.1217 0.1238 0.1193 -0.0176 -0.0010 0.0321 438 TRP B NE1 5874 C CE2 . TRP B 362 ? 0.1194 0.1172 0.1007 -0.0057 0.0178 0.0214 438 TRP B CE2 5875 C CE3 . TRP B 362 ? 0.1330 0.0865 0.0747 0.0114 -0.0010 0.0130 438 TRP B CE3 5876 C CZ2 . TRP B 362 ? 0.1077 0.1212 0.1233 0.0187 0.0154 0.0159 438 TRP B CZ2 5877 C CZ3 . TRP B 362 ? 0.1165 0.0993 0.1246 0.0202 0.0038 0.0088 438 TRP B CZ3 5878 C CH2 . TRP B 362 ? 0.1217 0.1124 0.1020 0.0094 0.0286 0.0059 438 TRP B CH2 5879 N N . THR B 363 ? 0.1120 0.1375 0.0917 0.0120 0.0123 0.0244 439 THR B N 5880 C CA . THR B 363 ? 0.1174 0.1213 0.0650 0.0246 -0.0088 0.0063 439 THR B CA 5881 C C . THR B 363 ? 0.1246 0.1012 0.0765 0.0108 -0.0116 0.0028 439 THR B C 5882 O O . THR B 363 ? 0.1243 0.1084 0.0699 -0.0127 -0.0160 -0.0060 439 THR B O 5883 C CB . THR B 363 ? 0.1313 0.1342 0.0655 0.0172 -0.0123 0.0153 439 THR B CB 5884 O OG1 . THR B 363 ? 0.1427 0.1346 0.0929 0.0222 -0.0109 0.0083 439 THR B OG1 5885 C CG2 . THR B 363 ? 0.1115 0.1447 0.0997 0.0149 -0.0024 -0.0209 439 THR B CG2 5886 N N . SER B 364 ? 0.1068 0.1016 0.0753 -0.0005 -0.0168 0.0041 440 SER B N 5887 C CA . SER B 364 ? 0.0885 0.1096 0.0997 0.0173 -0.0001 0.0187 440 SER B CA 5888 C C . SER B 364 ? 0.0928 0.1187 0.0952 0.0116 0.0011 0.0212 440 SER B C 5889 O O . SER B 364 ? 0.1227 0.1507 0.0900 -0.0179 -0.0134 0.0119 440 SER B O 5890 C CB . SER B 364 ? 0.0945 0.1199 0.1278 0.0170 -0.0465 0.0208 440 SER B CB 5891 O OG . SER B 364 ? 0.0625 0.1127 0.1493 -0.0013 -0.0381 -0.0001 440 SER B OG 5892 N N . SER B 365 ? 0.0865 0.1044 0.0880 0.0062 0.0041 0.0234 441 SER B N 5893 C CA . SER B 365 ? 0.0856 0.0885 0.0770 0.0063 0.0049 0.0163 441 SER B CA 5894 C C . SER B 365 ? 0.0961 0.0989 0.0855 0.0038 -0.0105 0.0283 441 SER B C 5895 O O . SER B 365 ? 0.1234 0.1151 0.0988 0.0038 -0.0018 0.0180 441 SER B O 5896 C CB . SER B 365 ? 0.1201 0.1068 0.0823 -0.0198 -0.0024 -0.0389 441 SER B CB 5897 O OG . SER B 365 ? 0.1439 0.1054 0.1066 -0.0225 -0.0003 -0.0309 441 SER B OG 5898 N N . SER B 366 ? 0.1028 0.0987 0.1283 0.0016 -0.0122 0.0404 442 SER B N 5899 C CA . SER B 366 ? 0.0895 0.0915 0.0942 0.0328 -0.0009 0.0554 442 SER B CA 5900 C C . SER B 366 ? 0.1091 0.1120 0.0965 0.0309 0.0022 0.0433 442 SER B C 5901 O O . SER B 366 ? 0.1019 0.1518 0.1043 0.0182 0.0120 0.0561 442 SER B O 5902 C CB . SER B 366 ? 0.1058 0.1208 0.0998 -0.0084 0.0158 0.0192 442 SER B CB 5903 O OG . SER B 366 ? 0.1203 0.1338 0.1330 -0.0102 0.0112 -0.0104 442 SER B OG 5904 N N . SER B 367 ? 0.1036 0.1014 0.1050 0.0136 0.0086 0.0346 443 SER B N 5905 C CA . SER B 367 ? 0.1271 0.1214 0.1176 0.0261 -0.0163 0.0172 443 SER B CA 5906 C C . SER B 367 ? 0.1249 0.1102 0.1228 0.0241 0.0111 0.0158 443 SER B C 5907 O O . SER B 367 ? 0.1293 0.1317 0.1392 0.0308 0.0522 0.0266 443 SER B O 5908 C CB . SER B 367 ? 0.1373 0.1615 0.0840 0.0424 -0.0735 -0.0083 443 SER B CB 5909 O OG . SER B 367 ? 0.1612 0.1924 0.1348 0.0082 -0.0667 0.0115 443 SER B OG 5910 N N . THR B 368 ? 0.0979 0.0839 0.1018 0.0010 0.0153 0.0126 444 THR B N 5911 C CA . THR B 368 ? 0.1135 0.0977 0.0926 -0.0037 -0.0076 -0.0033 444 THR B CA 5912 C C . THR B 368 ? 0.1069 0.0919 0.0937 0.0178 0.0079 -0.0004 444 THR B C 5913 O O . THR B 368 ? 0.1262 0.1111 0.1172 0.0073 0.0055 0.0013 444 THR B O 5914 C CB . THR B 368 ? 0.0898 0.1157 0.1087 -0.0017 -0.0198 -0.0220 444 THR B CB 5915 O OG1 . THR B 368 ? 0.1072 0.1105 0.1413 0.0159 -0.0415 -0.0021 444 THR B OG1 5916 C CG2 . THR B 368 ? 0.0862 0.1485 0.1253 -0.0077 0.0057 -0.0200 444 THR B CG2 5917 N N . VAL B 369 ? 0.0911 0.0988 0.0922 0.0147 0.0177 -0.0046 445 VAL B N 5918 C CA . VAL B 369 ? 0.1055 0.0993 0.0534 0.0127 0.0270 0.0176 445 VAL B CA 5919 C C . VAL B 369 ? 0.0914 0.0775 0.0928 -0.0044 0.0137 0.0247 445 VAL B C 5920 O O . VAL B 369 ? 0.1027 0.0983 0.1035 0.0060 0.0114 0.0116 445 VAL B O 5921 C CB . VAL B 369 ? 0.1220 0.1130 0.0637 -0.0063 0.0271 -0.0132 445 VAL B CB 5922 C CG1 . VAL B 369 ? 0.1399 0.1265 0.0812 -0.0001 0.0151 -0.0371 445 VAL B CG1 5923 C CG2 . VAL B 369 ? 0.1317 0.1256 0.1020 -0.0127 0.0063 0.0091 445 VAL B CG2 5924 N N . PHE B 370 ? 0.1047 0.0891 0.0805 -0.0070 0.0092 0.0156 446 PHE B N 5925 C CA . PHE B 370 ? 0.1083 0.1203 0.0941 0.0153 -0.0009 -0.0016 446 PHE B CA 5926 C C . PHE B 370 ? 0.1357 0.1239 0.0973 0.0122 0.0109 -0.0072 446 PHE B C 5927 O O . PHE B 370 ? 0.1501 0.1198 0.1301 0.0205 0.0561 0.0037 446 PHE B O 5928 C CB . PHE B 370 ? 0.1015 0.1453 0.0912 0.0173 -0.0169 0.0195 446 PHE B CB 5929 C CG . PHE B 370 ? 0.1175 0.1628 0.1021 0.0251 -0.0126 -0.0009 446 PHE B CG 5930 C CD1 . PHE B 370 ? 0.1189 0.1926 0.1085 0.0253 -0.0329 0.0220 446 PHE B CD1 5931 C CD2 . PHE B 370 ? 0.1293 0.1557 0.1335 0.0395 -0.0178 0.0244 446 PHE B CD2 5932 C CE1 . PHE B 370 ? 0.1143 0.2080 0.1218 0.0210 -0.0389 0.0152 446 PHE B CE1 5933 C CE2 . PHE B 370 ? 0.1409 0.1693 0.1080 0.0482 -0.0271 0.0217 446 PHE B CE2 5934 C CZ . PHE B 370 ? 0.1307 0.1961 0.1382 0.0302 -0.0151 0.0079 446 PHE B CZ 5935 N N . CYS B 371 ? 0.1268 0.0966 0.0730 0.0145 0.0281 -0.0052 447 CYS B N 5936 C CA . CYS B 371 ? 0.1366 0.1338 0.1244 0.0015 0.0328 0.0012 447 CYS B CA 5937 C C . CYS B 371 ? 0.1229 0.1289 0.1423 0.0019 0.0622 0.0135 447 CYS B C 5938 O O . CYS B 371 ? 0.1096 0.1279 0.1575 -0.0137 0.0573 -0.0033 447 CYS B O 5939 C CB . CYS B 371 ? 0.1645 0.1561 0.1561 0.0020 0.0232 0.0210 447 CYS B CB 5940 S SG . CYS B 371 ? 0.1743 0.1664 0.1724 0.0127 0.0004 0.0077 447 CYS B SG 5941 N N . GLY B 372 ? 0.1140 0.1291 0.1300 0.0197 0.0898 0.0410 448 GLY B N 5942 C CA . GLY B 372 ? 0.1253 0.1354 0.1324 0.0018 0.0832 0.0403 448 GLY B CA 5943 C C . GLY B 372 ? 0.1429 0.1587 0.1575 -0.0115 0.0499 0.0367 448 GLY B C 5944 O O . GLY B 372 ? 0.1467 0.1840 0.1860 -0.0295 0.0293 0.0342 448 GLY B O 5945 N N . VAL B 373 ? 0.1637 0.1255 0.1651 -0.0217 0.0526 0.0399 449 VAL B N 5946 C CA . VAL B 373 ? 0.1805 0.1383 0.1776 -0.0177 0.0549 0.0307 449 VAL B CA 5947 C C . VAL B 373 ? 0.1941 0.1631 0.1806 -0.0273 0.0467 0.0216 449 VAL B C 5948 O O . VAL B 373 ? 0.1891 0.1605 0.1796 -0.0246 0.0548 0.0260 449 VAL B O 5949 C CB . VAL B 373 ? 0.1820 0.1455 0.1943 0.0050 0.0456 -0.0125 449 VAL B CB 5950 C CG1 . VAL B 373 ? 0.1895 0.1417 0.1924 0.0093 0.0184 -0.0185 449 VAL B CG1 5951 C CG2 . VAL B 373 ? 0.1885 0.1544 0.1895 0.0049 0.0111 -0.0313 449 VAL B CG2 5952 N N A SER B 374 ? 0.2150 0.1792 0.2039 -0.0365 0.0283 0.0255 450 SER B N 5953 N N B SER B 374 ? 0.2171 0.1766 0.1895 -0.0259 0.0305 0.0221 450 SER B N 5954 C CA A SER B 374 ? 0.2444 0.2142 0.2249 -0.0527 0.0327 0.0331 450 SER B CA 5955 C CA B SER B 374 ? 0.2502 0.2130 0.1998 -0.0337 0.0413 0.0328 450 SER B CA 5956 C C A SER B 374 ? 0.2645 0.2313 0.2347 -0.0597 0.0354 0.0279 450 SER B C 5957 C C B SER B 374 ? 0.2678 0.2350 0.2356 -0.0569 0.0521 0.0215 450 SER B C 5958 O O A SER B 374 ? 0.2797 0.2551 0.2766 -0.0528 0.0231 0.0138 450 SER B O 5959 O O B SER B 374 ? 0.2829 0.2627 0.2900 -0.0623 0.0613 0.0057 450 SER B O 5960 C CB A SER B 374 ? 0.2578 0.2349 0.2540 -0.0589 0.0070 0.0381 450 SER B CB 5961 C CB B SER B 374 ? 0.2708 0.2307 0.2008 -0.0159 0.0045 0.0478 450 SER B CB 5962 O OG A SER B 374 ? 0.2693 0.2512 0.2735 -0.0642 0.0038 0.0423 450 SER B OG 5963 O OG B SER B 374 ? 0.2886 0.2418 0.1888 0.0058 -0.0051 0.0673 450 SER B OG 5964 N N . SER B 375 ? 0.2718 0.2267 0.1923 -0.0602 0.0369 0.0171 451 SER B N 5965 C CA . SER B 375 ? 0.2884 0.2540 0.2462 -0.0341 0.0234 0.0105 451 SER B CA 5966 C C . SER B 375 ? 0.2527 0.2324 0.1816 -0.0547 0.0158 -0.0279 451 SER B C 5967 O O . SER B 375 ? 0.2623 0.2187 0.1958 -0.0530 0.0045 -0.0034 451 SER B O 5968 C CB . SER B 375 ? 0.3122 0.2967 0.3309 0.0004 0.0386 -0.0008 451 SER B CB 5969 O OG . SER B 375 ? 0.3258 0.3291 0.3826 0.0136 0.0642 0.0170 451 SER B OG 5970 N N . GLU B 376 ? 0.2273 0.2330 0.1811 -0.0528 0.0067 -0.0502 452 GLU B N 5971 C CA . GLU B 376 ? 0.2107 0.2262 0.1928 -0.0403 0.0253 -0.0558 452 GLU B CA 5972 C C . GLU B 376 ? 0.2018 0.2160 0.1918 -0.0310 0.0310 -0.0175 452 GLU B C 5973 O O . GLU B 376 ? 0.2441 0.2442 0.2306 -0.0195 0.0575 0.0146 452 GLU B O 5974 C CB . GLU B 376 ? 0.2244 0.2595 0.2775 -0.0294 0.0418 -0.0870 452 GLU B CB 5975 C CG . GLU B 376 ? 0.2550 0.3099 0.3785 -0.0049 0.0327 -0.1010 452 GLU B CG 5976 C CD . GLU B 376 ? 0.3169 0.3826 0.4827 0.0096 0.0234 -0.1007 452 GLU B CD 5977 O OE1 . GLU B 376 ? 0.3381 0.4049 0.5560 0.0312 -0.0055 -0.0816 452 GLU B OE1 5978 O OE2 . GLU B 376 ? 0.3495 0.4214 0.5080 0.0048 0.0238 -0.0991 452 GLU B OE2 5979 N N . VAL B 377 ? 0.1796 0.2015 0.1586 -0.0355 0.0214 -0.0270 453 VAL B N 5980 C CA . VAL B 377 ? 0.1741 0.1993 0.1617 -0.0425 -0.0086 -0.0179 453 VAL B CA 5981 C C . VAL B 377 ? 0.1616 0.1728 0.1557 -0.0306 -0.0023 -0.0204 453 VAL B C 5982 O O . VAL B 377 ? 0.1705 0.1711 0.1769 -0.0134 0.0124 -0.0130 453 VAL B O 5983 C CB . VAL B 377 ? 0.1879 0.2346 0.1862 -0.0332 -0.0211 -0.0246 453 VAL B CB 5984 C CG1 . VAL B 377 ? 0.1922 0.2564 0.2411 -0.0471 0.0052 -0.0111 453 VAL B CG1 5985 C CG2 . VAL B 377 ? 0.2118 0.2412 0.2325 -0.0277 -0.0327 -0.0659 453 VAL B CG2 5986 N N . PRO B 378 ? 0.1572 0.1552 0.1860 -0.0326 0.0145 -0.0063 454 PRO B N 5987 C CA . PRO B 378 ? 0.1761 0.1384 0.1721 -0.0170 0.0522 -0.0105 454 PRO B CA 5988 C C . PRO B 378 ? 0.1625 0.1497 0.1438 0.0073 0.0260 -0.0030 454 PRO B C 5989 O O . PRO B 378 ? 0.1420 0.1624 0.1608 0.0008 0.0254 0.0121 454 PRO B O 5990 C CB . PRO B 378 ? 0.2121 0.1334 0.2245 -0.0294 0.0966 -0.0095 454 PRO B CB 5991 C CG . PRO B 378 ? 0.2060 0.1536 0.2620 -0.0057 0.0424 -0.0226 454 PRO B CG 5992 C CD . PRO B 378 ? 0.1697 0.1176 0.2258 -0.0302 0.0312 -0.0435 454 PRO B CD 5993 N N . GLY B 379 ? 0.1764 0.1367 0.1366 0.0054 0.0442 0.0347 455 GLY B N 5994 C CA . GLY B 379 ? 0.1767 0.1119 0.1509 0.0075 0.0351 0.0236 455 GLY B CA 5995 C C . GLY B 379 ? 0.1740 0.1150 0.1789 -0.0117 0.0228 0.0126 455 GLY B C 5996 O O . GLY B 379 ? 0.1973 0.1285 0.2312 0.0108 0.0337 0.0412 455 GLY B O 5997 N N . TRP B 380 ? 0.1458 0.1183 0.1484 -0.0384 0.0073 -0.0089 456 TRP B N 5998 C CA . TRP B 380 ? 0.1519 0.1206 0.1585 -0.0026 0.0100 -0.0173 456 TRP B CA 5999 C C . TRP B 380 ? 0.1599 0.1232 0.1637 -0.0107 0.0170 -0.0336 456 TRP B C 6000 O O . TRP B 380 ? 0.2101 0.1422 0.1771 -0.0007 0.0689 -0.0421 456 TRP B O 6001 C CB . TRP B 380 ? 0.1387 0.1168 0.1671 0.0092 0.0091 -0.0276 456 TRP B CB 6002 C CG . TRP B 380 ? 0.1434 0.1307 0.1730 0.0109 -0.0113 -0.0130 456 TRP B CG 6003 C CD1 . TRP B 380 ? 0.1604 0.1290 0.1978 0.0199 0.0003 -0.0113 456 TRP B CD1 6004 C CD2 . TRP B 380 ? 0.1182 0.1350 0.1119 -0.0059 -0.0015 -0.0124 456 TRP B CD2 6005 N NE1 . TRP B 380 ? 0.1369 0.1208 0.1965 0.0241 0.0079 0.0076 456 TRP B NE1 6006 C CE2 . TRP B 380 ? 0.1278 0.1286 0.1802 0.0007 0.0123 0.0146 456 TRP B CE2 6007 C CE3 . TRP B 380 ? 0.1387 0.1517 0.1127 -0.0224 0.0074 0.0002 456 TRP B CE3 6008 C CZ2 . TRP B 380 ? 0.1361 0.1251 0.1679 -0.0185 -0.0178 0.0159 456 TRP B CZ2 6009 C CZ3 . TRP B 380 ? 0.1437 0.1420 0.1022 -0.0331 -0.0002 -0.0039 456 TRP B CZ3 6010 C CH2 . TRP B 380 ? 0.1437 0.1350 0.1475 -0.0256 -0.0149 0.0073 456 TRP B CH2 6011 N N . SER B 381 ? 0.1321 0.1330 0.1578 -0.0090 0.0083 0.0050 457 SER B N 6012 C CA . SER B 381 ? 0.1078 0.1289 0.1419 -0.0205 -0.0212 0.0354 457 SER B CA 6013 C C . SER B 381 ? 0.0989 0.1535 0.1416 -0.0166 -0.0069 0.0024 457 SER B C 6014 O O . SER B 381 ? 0.0932 0.1925 0.1725 0.0031 -0.0204 -0.0008 457 SER B O 6015 C CB . SER B 381 ? 0.1168 0.1179 0.1782 -0.0329 -0.0526 0.0319 457 SER B CB 6016 O OG . SER B 381 ? 0.1343 0.1192 0.1826 0.0076 -0.0554 0.0283 457 SER B OG 6017 N N . TRP B 382 ? 0.0881 0.1167 0.1228 -0.0237 0.0071 -0.0155 458 TRP B N 6018 C CA . TRP B 382 ? 0.0967 0.1167 0.1129 -0.0203 -0.0011 -0.0141 458 TRP B CA 6019 C C . TRP B 382 ? 0.1077 0.1167 0.0916 -0.0122 -0.0136 -0.0154 458 TRP B C 6020 O O . TRP B 382 ? 0.1157 0.1197 0.1063 -0.0172 -0.0257 -0.0219 458 TRP B O 6021 C CB . TRP B 382 ? 0.0979 0.1203 0.0810 -0.0205 -0.0116 0.0005 458 TRP B CB 6022 C CG . TRP B 382 ? 0.0898 0.1316 0.1033 -0.0110 0.0183 0.0003 458 TRP B CG 6023 C CD1 . TRP B 382 ? 0.0944 0.1229 0.0879 -0.0250 0.0093 0.0109 458 TRP B CD1 6024 C CD2 . TRP B 382 ? 0.1053 0.1357 0.1056 -0.0134 0.0277 0.0182 458 TRP B CD2 6025 N NE1 . TRP B 382 ? 0.0995 0.1320 0.1087 -0.0232 -0.0043 -0.0036 458 TRP B NE1 6026 C CE2 . TRP B 382 ? 0.1092 0.1371 0.0916 -0.0338 0.0048 -0.0174 458 TRP B CE2 6027 C CE3 . TRP B 382 ? 0.0802 0.1525 0.1430 -0.0258 0.0195 -0.0139 458 TRP B CE3 6028 C CZ2 . TRP B 382 ? 0.0965 0.1587 0.1166 -0.0303 -0.0289 -0.0279 458 TRP B CZ2 6029 C CZ3 . TRP B 382 ? 0.0978 0.1455 0.1394 -0.0168 -0.0143 -0.0346 458 TRP B CZ3 6030 C CH2 . TRP B 382 ? 0.1048 0.1496 0.1332 -0.0147 -0.0384 -0.0282 458 TRP B CH2 6031 N N . ASP B 383 ? 0.1117 0.1204 0.0603 -0.0110 0.0095 0.0229 459 ASP B N 6032 C CA . ASP B 383 ? 0.1289 0.1327 0.0667 -0.0123 0.0073 0.0323 459 ASP B CA 6033 C C . ASP B 383 ? 0.1108 0.1308 0.1070 -0.0041 -0.0004 0.0184 459 ASP B C 6034 O O . ASP B 383 ? 0.1065 0.1420 0.1369 -0.0020 0.0041 -0.0021 459 ASP B O 6035 C CB . ASP B 383 ? 0.1497 0.1528 0.0757 0.0091 -0.0186 0.0110 459 ASP B CB 6036 C CG . ASP B 383 ? 0.1765 0.1772 0.1111 0.0050 0.0087 -0.0151 459 ASP B CG 6037 O OD1 . ASP B 383 ? 0.1815 0.1976 0.1619 -0.0283 0.0308 -0.0039 459 ASP B OD1 6038 O OD2 . ASP B 383 ? 0.1874 0.1827 0.1473 0.0352 -0.0180 -0.0237 459 ASP B OD2 6039 N N . ASP B 384 ? 0.0995 0.1385 0.0951 -0.0246 0.0094 0.0374 460 ASP B N 6040 C CA . ASP B 384 ? 0.0937 0.1095 0.1234 -0.0190 -0.0030 0.0372 460 ASP B CA 6041 C C . ASP B 384 ? 0.1015 0.1184 0.1273 -0.0085 -0.0100 0.0150 460 ASP B C 6042 O O . ASP B 384 ? 0.0869 0.1285 0.1353 0.0261 -0.0219 0.0082 460 ASP B O 6043 C CB . ASP B 384 ? 0.1173 0.1148 0.1412 -0.0307 0.0143 0.0189 460 ASP B CB 6044 C CG . ASP B 384 ? 0.1483 0.1329 0.1456 -0.0143 0.0032 0.0014 460 ASP B CG 6045 O OD1 . ASP B 384 ? 0.1495 0.1575 0.1558 -0.0184 -0.0318 -0.0117 460 ASP B OD1 6046 O OD2 . ASP B 384 ? 0.1761 0.1436 0.1168 0.0093 0.0276 0.0018 460 ASP B OD2 6047 N N . GLY B 385 ? 0.1075 0.1139 0.1154 -0.0140 -0.0110 -0.0006 461 GLY B N 6048 C CA . GLY B 385 ? 0.1148 0.0970 0.1219 0.0070 -0.0042 -0.0138 461 GLY B CA 6049 C C . GLY B 385 ? 0.1108 0.0982 0.1282 0.0064 -0.0017 -0.0083 461 GLY B C 6050 O O . GLY B 385 ? 0.1096 0.1252 0.1583 0.0214 0.0190 -0.0038 461 GLY B O 6051 N N . ALA B 386 ? 0.1131 0.1041 0.1242 -0.0123 0.0085 -0.0237 462 ALA B N 6052 C CA . ALA B 386 ? 0.1440 0.1030 0.1110 -0.0119 -0.0051 -0.0359 462 ALA B CA 6053 C C . ALA B 386 ? 0.1318 0.1222 0.0948 0.0149 -0.0166 -0.0136 462 ALA B C 6054 O O . ALA B 386 ? 0.1223 0.1347 0.1457 0.0235 -0.0045 -0.0083 462 ALA B O 6055 C CB . ALA B 386 ? 0.1536 0.0969 0.1461 -0.0320 0.0090 -0.0080 462 ALA B CB 6056 N N . ILE B 387 ? 0.1325 0.1254 0.0587 0.0146 -0.0017 -0.0143 463 ILE B N 6057 C CA . ILE B 387 ? 0.1696 0.1328 0.1030 0.0186 0.0159 -0.0050 463 ILE B CA 6058 C C . ILE B 387 ? 0.1508 0.1444 0.1068 0.0053 0.0111 0.0004 463 ILE B C 6059 O O . ILE B 387 ? 0.1366 0.1488 0.1279 0.0011 -0.0092 -0.0012 463 ILE B O 6060 C CB . ILE B 387 ? 0.2333 0.1464 0.1118 0.0272 0.0054 -0.0006 463 ILE B CB 6061 C CG1 . ILE B 387 ? 0.2487 0.1549 0.1487 0.0244 -0.0144 -0.0111 463 ILE B CG1 6062 C CG2 . ILE B 387 ? 0.2605 0.1636 0.1036 0.0254 0.0038 0.0061 463 ILE B CG2 6063 C CD1 . ILE B 387 ? 0.2690 0.1652 0.1631 0.0356 -0.0086 -0.0116 463 ILE B CD1 6064 N N . LEU B 388 ? 0.1391 0.1505 0.0881 0.0001 -0.0259 0.0201 464 LEU B N 6065 C CA . LEU B 388 ? 0.1547 0.1577 0.0994 0.0050 -0.0327 0.0020 464 LEU B CA 6066 C C . LEU B 388 ? 0.1879 0.1755 0.0946 -0.0303 -0.0317 0.0025 464 LEU B C 6067 O O . LEU B 388 ? 0.2070 0.1868 0.1070 -0.0728 -0.0274 0.0130 464 LEU B O 6068 C CB . LEU B 388 ? 0.1342 0.1334 0.0891 -0.0011 -0.0567 -0.0170 464 LEU B CB 6069 C CG . LEU B 388 ? 0.1222 0.1202 0.0715 0.0152 -0.0298 0.0113 464 LEU B CG 6070 C CD1 . LEU B 388 ? 0.1129 0.1447 0.0718 0.0023 -0.0030 0.0419 464 LEU B CD1 6071 C CD2 . LEU B 388 ? 0.1086 0.1300 0.1174 0.0296 -0.0139 0.0119 464 LEU B CD2 6072 N N . PRO B 389 ? 0.1916 0.1719 0.0994 -0.0314 -0.0236 0.0090 465 PRO B N 6073 C CA . PRO B 389 ? 0.1808 0.1554 0.1155 -0.0194 -0.0274 0.0112 465 PRO B CA 6074 C C . PRO B 389 ? 0.1720 0.1459 0.1259 -0.0086 -0.0277 -0.0110 465 PRO B C 6075 O O . PRO B 389 ? 0.1707 0.1444 0.1557 0.0086 -0.0287 -0.0028 465 PRO B O 6076 C CB . PRO B 389 ? 0.2133 0.1774 0.1381 -0.0234 -0.0463 0.0561 465 PRO B CB 6077 C CG . PRO B 389 ? 0.2558 0.1985 0.1506 -0.0377 -0.0313 0.0546 465 PRO B CG 6078 C CD . PRO B 389 ? 0.2277 0.1801 0.1034 -0.0257 -0.0298 0.0404 465 PRO B CD 6079 N N . PHE B 390 ? 0.1468 0.1469 0.0955 -0.0036 -0.0221 -0.0099 466 PHE B N 6080 C CA . PHE B 390 ? 0.1394 0.1628 0.0899 0.0133 -0.0124 -0.0059 466 PHE B CA 6081 C C . PHE B 390 ? 0.1524 0.1577 0.1090 0.0063 -0.0205 0.0208 466 PHE B C 6082 O O . PHE B 390 ? 0.1720 0.1641 0.1186 0.0069 -0.0264 0.0036 466 PHE B O 6083 C CB . PHE B 390 ? 0.1391 0.1549 0.0775 0.0150 -0.0075 0.0019 466 PHE B CB 6084 C CG . PHE B 390 ? 0.1286 0.1462 0.1248 0.0392 -0.0344 0.0118 466 PHE B CG 6085 C CD1 . PHE B 390 ? 0.1406 0.1484 0.1430 0.0418 -0.0008 0.0259 466 PHE B CD1 6086 C CD2 . PHE B 390 ? 0.1516 0.1557 0.1049 0.0576 -0.0153 0.0021 466 PHE B CD2 6087 C CE1 . PHE B 390 ? 0.1354 0.1564 0.1218 0.0551 -0.0243 0.0036 466 PHE B CE1 6088 C CE2 . PHE B 390 ? 0.1537 0.1662 0.1160 0.0426 -0.0250 0.0264 466 PHE B CE2 6089 C CZ . PHE B 390 ? 0.1393 0.1753 0.1339 0.0383 -0.0102 0.0225 466 PHE B CZ 6090 N N . ASP B 391 ? 0.1521 0.1624 0.1198 0.0122 -0.0025 -0.0082 467 ASP B N 6091 C CA . ASP B 391 ? 0.1586 0.1649 0.1342 0.0124 -0.0083 0.0223 467 ASP B CA 6092 C C . ASP B 391 ? 0.1670 0.1646 0.1160 0.0207 -0.0169 0.0076 467 ASP B C 6093 O O . ASP B 391 ? 0.1960 0.1953 0.1055 0.0057 0.0058 -0.0014 467 ASP B O 6094 C CB . ASP B 391 ? 0.1928 0.1839 0.1772 0.0221 -0.0307 0.0064 467 ASP B CB 6095 C CG . ASP B 391 ? 0.2445 0.2137 0.2461 0.0189 -0.0332 0.0064 467 ASP B CG 6096 O OD1 . ASP B 391 ? 0.2704 0.2307 0.2937 0.0099 -0.0206 0.0104 467 ASP B OD1 6097 O OD2 . ASP B 391 ? 0.2773 0.2126 0.2612 0.0255 -0.0072 -0.0094 467 ASP B OD2 6098 N N . ILE B 392 ? 0.1443 0.1310 0.1073 0.0177 -0.0223 -0.0221 468 ILE B N 6099 C CA . ILE B 392 ? 0.1680 0.1410 0.0861 0.0304 -0.0345 -0.0042 468 ILE B CA 6100 C C . ILE B 392 ? 0.1872 0.1706 0.1171 0.0302 -0.0117 -0.0141 468 ILE B C 6101 O O . ILE B 392 ? 0.1852 0.1694 0.1478 0.0208 -0.0291 0.0062 468 ILE B O 6102 C CB . ILE B 392 ? 0.1819 0.1543 0.1066 0.0124 -0.0073 -0.0042 468 ILE B CB 6103 C CG1 . ILE B 392 ? 0.1887 0.1611 0.1074 -0.0097 -0.0198 0.0093 468 ILE B CG1 6104 C CG2 . ILE B 392 ? 0.1937 0.1690 0.1077 0.0254 0.0249 0.0193 468 ILE B CG2 6105 C CD1 . ILE B 392 ? 0.1987 0.1694 0.1568 0.0010 -0.0008 -0.0275 468 ILE B CD1 6106 N N . ASP B 393 ? 0.1799 0.1938 0.1064 0.0379 0.0041 0.0049 469 ASP B N 6107 C CA . ASP B 393 ? 0.1980 0.2150 0.1035 0.0208 0.0014 -0.0075 469 ASP B CA 6108 C C . ASP B 393 ? 0.2497 0.2649 0.0865 0.0213 -0.0168 -0.0041 469 ASP B C 6109 O O . ASP B 393 ? 0.2488 0.2879 0.1247 0.0376 -0.0287 -0.0162 469 ASP B O 6110 C CB . ASP B 393 ? 0.1680 0.1800 0.1057 0.0184 0.0035 -0.0002 469 ASP B CB 6111 C CG . ASP B 393 ? 0.1562 0.1744 0.1030 -0.0045 0.0085 0.0049 469 ASP B CG 6112 O OD1 . ASP B 393 ? 0.1723 0.1655 0.1057 -0.0114 0.0033 -0.0057 469 ASP B OD1 6113 O OD2 . ASP B 393 ? 0.1492 0.1774 0.1177 -0.0245 0.0094 0.0106 469 ASP B OD2 6114 N N . LYS B 394 ? 0.3062 0.3032 0.0993 0.0164 0.0164 -0.0238 470 LYS B N 6115 C CA . LYS B 394 ? 0.3737 0.3597 0.2193 -0.0039 0.0086 -0.0069 470 LYS B CA 6116 C C . LYS B 394 ? 0.4126 0.3812 0.3454 -0.0163 0.0297 0.0091 470 LYS B C 6117 O O . LYS B 394 ? 0.4460 0.3993 0.4253 -0.0088 0.0436 0.0038 470 LYS B O 6118 C CB . LYS B 394 ? 0.4099 0.3938 0.3001 -0.0047 -0.0027 -0.0309 470 LYS B CB 6119 C CG . LYS B 394 ? 0.4551 0.4255 0.4264 -0.0034 -0.0022 -0.0276 470 LYS B CG 6120 C CD . LYS B 394 ? 0.4872 0.4610 0.5195 -0.0047 -0.0032 -0.0109 470 LYS B CD 6121 C CE . LYS B 394 ? 0.5128 0.4760 0.5765 -0.0026 0.0029 0.0007 470 LYS B CE 6122 N NZ . LYS B 394 ? 0.5290 0.4836 0.6030 0.0088 0.0012 0.0061 470 LYS B NZ 6123 CA CA . CA C . ? 0.1053 0.1126 0.1327 0.0171 0.0159 -0.0146 601 CA A CA 6124 C C1 . NAG D . ? 0.2981 0.2923 0.3264 0.0578 -0.0838 0.0385 801 NAG A C1 6125 C C2 . NAG D . ? 0.3205 0.3235 0.3285 0.0644 -0.0807 0.0274 801 NAG A C2 6126 C C3 . NAG D . ? 0.3588 0.3557 0.3626 0.0782 -0.0672 0.0305 801 NAG A C3 6127 C C4 . NAG D . ? 0.3836 0.3786 0.4029 0.0883 -0.0750 0.0345 801 NAG A C4 6128 C C5 . NAG D . ? 0.3568 0.3449 0.3927 0.0824 -0.0874 0.0348 801 NAG A C5 6129 C C6 . NAG D . ? 0.3697 0.3513 0.4485 0.0657 -0.0825 0.0126 801 NAG A C6 6130 C C7 . NAG D . ? 0.3096 0.3089 0.3512 0.0350 -0.0685 -0.0096 801 NAG A C7 6131 C C8 . NAG D . ? 0.2930 0.2892 0.3121 0.0355 -0.0488 -0.0087 801 NAG A C8 6132 N N2 . NAG D . ? 0.3085 0.3166 0.3361 0.0560 -0.0731 0.0024 801 NAG A N2 6133 O O3 . NAG D . ? 0.3697 0.3621 0.3483 0.0726 -0.0475 0.0298 801 NAG A O3 6134 O O4 . NAG D . ? 0.4434 0.4405 0.4369 0.0950 -0.1057 0.0209 801 NAG A O4 6135 O O5 . NAG D . ? 0.3184 0.3029 0.3512 0.0783 -0.0966 0.0628 801 NAG A O5 6136 O O6 . NAG D . ? 0.3922 0.3667 0.4656 0.0633 -0.0690 -0.0064 801 NAG A O6 6137 O O7 . NAG D . ? 0.3169 0.3208 0.4065 0.0280 -0.0742 -0.0205 801 NAG A O7 6138 C C1 . NAG E . ? 0.5118 0.5141 0.5384 0.1029 -0.0975 0.0173 802 NAG A C1 6139 C C2 . NAG E . ? 0.5416 0.5547 0.5808 0.1011 -0.1000 0.0187 802 NAG A C2 6140 C C3 . NAG E . ? 0.5649 0.5834 0.6093 0.0951 -0.1038 0.0130 802 NAG A C3 6141 C C4 . NAG E . ? 0.5812 0.5967 0.6383 0.0823 -0.0867 0.0021 802 NAG A C4 6142 C C5 . NAG E . ? 0.5801 0.5861 0.6364 0.0820 -0.0688 0.0051 802 NAG A C5 6143 C C6 . NAG E . ? 0.5997 0.5993 0.6577 0.0687 -0.0362 0.0062 802 NAG A C6 6144 C C7 . NAG E . ? 0.5566 0.5638 0.5862 0.1073 -0.0875 0.0424 802 NAG A C7 6145 C C8 . NAG E . ? 0.5625 0.5738 0.5935 0.1092 -0.0813 0.0366 802 NAG A C8 6146 N N2 . NAG E . ? 0.5484 0.5579 0.5851 0.1104 -0.0940 0.0271 802 NAG A N2 6147 O O3 . NAG E . ? 0.5621 0.5920 0.5999 0.0992 -0.1191 0.0226 802 NAG A O3 6148 O O4 . NAG E . ? 0.5941 0.6084 0.6513 0.0697 -0.0916 -0.0036 802 NAG A O4 6149 O O5 . NAG E . ? 0.5532 0.5540 0.5802 0.0917 -0.0919 0.0070 802 NAG A O5 6150 O O6 . NAG E . ? 0.6115 0.6067 0.6684 0.0602 -0.0171 0.0132 802 NAG A O6 6151 O O7 . NAG E . ? 0.5620 0.5539 0.5708 0.1030 -0.0940 0.0526 802 NAG A O7 6152 C C1 . NAG F . ? 0.4417 0.4639 0.3507 0.0422 -0.0087 -0.0869 803 NAG A C1 6153 C C2 . NAG F . ? 0.4885 0.5200 0.4173 0.0441 -0.0405 -0.0619 803 NAG A C2 6154 C C3 . NAG F . ? 0.5198 0.5600 0.5339 0.0518 -0.0324 -0.0493 803 NAG A C3 6155 C C4 . NAG F . ? 0.5250 0.5617 0.5618 0.0509 -0.0124 -0.0713 803 NAG A C4 6156 C C5 . NAG F . ? 0.5187 0.5361 0.5319 0.0421 0.0045 -0.0890 803 NAG A C5 6157 C C6 . NAG F . ? 0.5345 0.5484 0.5840 0.0334 0.0109 -0.0997 803 NAG A C6 6158 C C7 . NAG F . ? 0.5124 0.5563 0.4839 0.0183 -0.1135 -0.0273 803 NAG A C7 6159 C C8 . NAG F . ? 0.5101 0.5487 0.4876 0.0175 -0.1344 -0.0243 803 NAG A C8 6160 N N2 . NAG F . ? 0.5010 0.5405 0.4298 0.0341 -0.0789 -0.0394 803 NAG A N2 6161 O O3 . NAG F . ? 0.5368 0.5853 0.5678 0.0512 -0.0297 -0.0417 803 NAG A O3 6162 O O4 . NAG F . ? 0.5318 0.5876 0.6124 0.0529 -0.0202 -0.0648 803 NAG A O4 6163 O O5 . NAG F . ? 0.4854 0.4952 0.4469 0.0427 0.0090 -0.1072 803 NAG A O5 6164 O O6 . NAG F . ? 0.5485 0.5599 0.6032 0.0271 0.0150 -0.1088 803 NAG A O6 6165 O O7 . NAG F . ? 0.5225 0.5711 0.5193 0.0100 -0.1006 -0.0191 803 NAG A O7 6166 C C1 . ZMR G . ? 0.0684 0.1538 0.1177 -0.0471 0.0475 0.0205 901 ZMR A C1 6167 O O1A . ZMR G . ? 0.0800 0.1599 0.1581 0.0249 0.0002 0.0141 901 ZMR A O1A 6168 O O1B . ZMR G . ? 0.1007 0.1720 0.1932 0.0063 0.0356 0.0153 901 ZMR A O1B 6169 C C2 . ZMR G . ? 0.0973 0.1600 0.1314 -0.0157 0.0198 0.0316 901 ZMR A C2 6170 C C3 . ZMR G . ? 0.0781 0.1472 0.1168 -0.0192 0.0130 0.0243 901 ZMR A C3 6171 C C4 . ZMR G . ? 0.0873 0.1137 0.1186 0.0190 0.0108 0.0312 901 ZMR A C4 6172 C C5 . ZMR G . ? 0.0791 0.1083 0.1282 0.0222 0.0298 0.0218 901 ZMR A C5 6173 N N5 . ZMR G . ? 0.0966 0.0935 0.1253 0.0119 0.0723 0.0436 901 ZMR A N5 6174 C C10 . ZMR G . ? 0.1171 0.1265 0.0823 0.0017 0.0193 0.0133 901 ZMR A C10 6175 O O10 . ZMR G . ? 0.1345 0.1361 0.1035 -0.0242 -0.0002 -0.0290 901 ZMR A O10 6176 C C11 . ZMR G . ? 0.1444 0.1504 0.0564 0.0163 0.0290 0.0474 901 ZMR A C11 6177 C C6 . ZMR G . ? 0.0721 0.1118 0.1245 -0.0102 0.0076 0.0025 901 ZMR A C6 6178 O O6 . ZMR G . ? 0.1006 0.1450 0.1658 -0.0211 0.0138 0.0399 901 ZMR A O6 6179 C C7 . ZMR G . ? 0.1083 0.1116 0.1276 0.0156 -0.0232 -0.0033 901 ZMR A C7 6180 O O7 . ZMR G . ? 0.1566 0.1341 0.0958 -0.0002 -0.0043 -0.0313 901 ZMR A O7 6181 C C8 . ZMR G . ? 0.1323 0.1085 0.1924 0.0043 -0.0131 0.0001 901 ZMR A C8 6182 O O8 . ZMR G . ? 0.1502 0.1009 0.2077 0.0077 -0.0117 -0.0141 901 ZMR A O8 6183 C C9 . ZMR G . ? 0.1304 0.0952 0.2157 -0.0003 0.0166 0.0070 901 ZMR A C9 6184 O O9 . ZMR G . ? 0.1337 0.0981 0.2480 0.0016 0.0221 0.0362 901 ZMR A O9 6185 N NE . ZMR G . ? 0.0728 0.0970 0.1296 0.0415 -0.0304 -0.0172 901 ZMR A NE 6186 C CZ . ZMR G . ? 0.1001 0.0956 0.1379 0.0417 -0.0133 -0.0280 901 ZMR A CZ 6187 N NH1 . ZMR G . ? 0.1221 0.1054 0.1221 0.0338 0.0031 -0.0278 901 ZMR A NH1 6188 N NH2 . ZMR G . ? 0.0960 0.0912 0.1669 0.0498 -0.0429 -0.0247 901 ZMR A NH2 6189 C C1 . GOL H . ? 0.1290 0.2137 0.1943 0.0724 -0.0178 -0.0235 1 GOL A C1 6190 O O1 . GOL H . ? 0.1372 0.2086 0.1842 0.0476 -0.0547 0.0213 1 GOL A O1 6191 C C2 . GOL H . ? 0.1583 0.2303 0.2457 0.0701 -0.0057 -0.0056 1 GOL A C2 6192 O O2 . GOL H . ? 0.1729 0.2287 0.2624 0.0692 -0.0188 -0.0135 1 GOL A O2 6193 C C3 . GOL H . ? 0.1639 0.2490 0.2647 0.0832 0.0062 -0.0102 1 GOL A C3 6194 O O3 . GOL H . ? 0.2016 0.2808 0.3069 0.0702 -0.0378 0.0368 1 GOL A O3 6195 C C1 . GOL I . ? 0.4515 0.4467 0.4242 0.0466 -0.0248 0.0252 472 GOL A C1 6196 O O1 . GOL I . ? 0.4425 0.4308 0.4030 0.0401 -0.0283 0.0303 472 GOL A O1 6197 C C2 . GOL I . ? 0.4570 0.4663 0.4621 0.0400 -0.0182 0.0043 472 GOL A C2 6198 O O2 . GOL I . ? 0.4549 0.4769 0.4710 0.0423 -0.0145 0.0210 472 GOL A O2 6199 C C3 . GOL I . ? 0.4531 0.4692 0.4756 0.0317 -0.0260 -0.0461 472 GOL A C3 6200 O O3 . GOL I . ? 0.4479 0.4715 0.4782 0.0386 -0.0311 -0.0752 472 GOL A O3 6201 CA CA . CA J . ? 0.1040 0.1183 0.1255 0.0306 -0.0147 0.0068 601 CA B CA 6202 C C1 . NAG K . ? 0.2666 0.3027 0.2699 0.0150 0.0791 -0.0220 801 NAG B C1 6203 C C2 . NAG K . ? 0.2946 0.3223 0.2718 0.0268 0.0682 -0.0014 801 NAG B C2 6204 C C3 . NAG K . ? 0.3171 0.3507 0.2564 0.0479 0.0963 -0.0162 801 NAG B C3 6205 C C4 . NAG K . ? 0.3297 0.3688 0.3054 0.0737 0.0981 -0.0115 801 NAG B C4 6206 C C5 . NAG K . ? 0.3016 0.3573 0.3180 0.0490 0.0940 -0.0095 801 NAG B C5 6207 C C6 . NAG K . ? 0.3111 0.3774 0.3956 0.0281 0.0692 -0.0006 801 NAG B C6 6208 C C7 . NAG K . ? 0.3143 0.3001 0.2986 0.0031 0.0186 0.0214 801 NAG B C7 6209 C C8 . NAG K . ? 0.3147 0.2915 0.3002 0.0051 0.0084 0.0196 801 NAG B C8 6210 N N2 . NAG K . ? 0.2928 0.3069 0.2741 0.0258 0.0313 0.0134 801 NAG B N2 6211 O O3 . NAG K . ? 0.3334 0.3626 0.2649 0.0479 0.0880 -0.0304 801 NAG B O3 6212 O O4 . NAG K . ? 0.3686 0.4047 0.3504 0.1083 0.1397 0.0247 801 NAG B O4 6213 O O5 . NAG K . ? 0.2693 0.3221 0.2771 0.0316 0.0995 -0.0204 801 NAG B O5 6214 O O6 . NAG K . ? 0.3454 0.4225 0.4605 0.0277 0.0459 0.0056 801 NAG B O6 6215 O O7 . NAG K . ? 0.3266 0.2995 0.3343 -0.0127 0.0085 0.0136 801 NAG B O7 6216 C C1 . NAG L . ? 0.4394 0.4605 0.4709 0.1290 0.1254 0.0355 802 NAG B C1 6217 C C2 . NAG L . ? 0.4608 0.4816 0.4986 0.1318 0.1243 0.0265 802 NAG B C2 6218 C C3 . NAG L . ? 0.4918 0.5138 0.5668 0.1333 0.1261 0.0367 802 NAG B C3 6219 C C4 . NAG L . ? 0.5143 0.5310 0.6200 0.1247 0.1006 0.0639 802 NAG B C4 6220 C C5 . NAG L . ? 0.5260 0.5340 0.6310 0.1144 0.0926 0.0667 802 NAG B C5 6221 C C6 . NAG L . ? 0.5673 0.5640 0.6943 0.0849 0.0697 0.0766 802 NAG B C6 6222 C C7 . NAG L . ? 0.4594 0.4807 0.4217 0.1397 0.1101 -0.0015 802 NAG B C7 6223 C C8 . NAG L . ? 0.4553 0.4823 0.3782 0.1477 0.1117 -0.0048 802 NAG B C8 6224 N N2 . NAG L . ? 0.4557 0.4747 0.4542 0.1366 0.1206 0.0157 802 NAG B N2 6225 O O3 . NAG L . ? 0.5019 0.5228 0.5750 0.1347 0.1365 0.0200 802 NAG B O3 6226 O O4 . NAG L . ? 0.5264 0.5373 0.6456 0.1199 0.0832 0.0839 802 NAG B O4 6227 O O5 . NAG L . ? 0.4871 0.4994 0.5473 0.1237 0.1215 0.0571 802 NAG B O5 6228 O O6 . NAG L . ? 0.5915 0.5838 0.7406 0.0621 0.0573 0.0723 802 NAG B O6 6229 O O7 . NAG L . ? 0.4638 0.4825 0.4152 0.1399 0.1031 0.0059 802 NAG B O7 6230 C C1 . NAG M . ? 0.2961 0.3527 0.1024 0.0722 -0.0023 0.1123 803 NAG B C1 6231 C C2 . NAG M . ? 0.3195 0.3900 0.1453 0.0767 0.0208 0.0929 803 NAG B C2 6232 C C3 . NAG M . ? 0.3651 0.4474 0.2047 0.0902 0.0410 0.0725 803 NAG B C3 6233 C C4 . NAG M . ? 0.4060 0.4715 0.2731 0.0870 0.0244 0.0940 803 NAG B C4 6234 C C5 . NAG M . ? 0.3821 0.4286 0.2278 0.0816 0.0287 0.1187 803 NAG B C5 6235 C C6 . NAG M . ? 0.4077 0.4319 0.3211 0.0709 0.0342 0.1301 803 NAG B C6 6236 C C7 . NAG M . ? 0.3286 0.3622 0.2372 0.0570 0.0453 0.0676 803 NAG B C7 6237 C C8 . NAG M . ? 0.3353 0.3649 0.2601 0.0480 0.0679 0.0592 803 NAG B C8 6238 N N2 . NAG M . ? 0.3101 0.3790 0.1861 0.0649 0.0460 0.0663 803 NAG B N2 6239 O O3 . NAG M . ? 0.3709 0.4677 0.2088 0.1025 0.0439 0.0714 803 NAG B O3 6240 O O4 . NAG M . ? 0.4809 0.5506 0.3942 0.0702 0.0512 0.0746 803 NAG B O4 6241 O O5 . NAG M . ? 0.3392 0.3876 0.1583 0.0798 0.0164 0.1293 803 NAG B O5 6242 O O6 . NAG M . ? 0.4373 0.4465 0.4096 0.0653 0.0416 0.1323 803 NAG B O6 6243 O O7 . NAG M . ? 0.3499 0.3511 0.2879 0.0646 0.0111 0.0583 803 NAG B O7 6244 C C1 . ZMR N . ? 0.0977 0.1476 0.1048 -0.0430 -0.0686 -0.0505 901 ZMR B C1 6245 O O1A . ZMR N . ? 0.0669 0.1369 0.1424 0.0071 -0.0263 -0.0271 901 ZMR B O1A 6246 O O1B . ZMR N . ? 0.1004 0.1749 0.1856 -0.0123 -0.0359 -0.0569 901 ZMR B O1B 6247 C C2 . ZMR N . ? 0.1029 0.1351 0.1315 -0.0218 -0.0214 -0.0224 901 ZMR B C2 6248 C C3 . ZMR N . ? 0.0906 0.1171 0.1275 -0.0369 -0.0149 -0.0389 901 ZMR B C3 6249 C C4 . ZMR N . ? 0.0763 0.0922 0.1014 -0.0139 -0.0200 -0.0523 901 ZMR B C4 6250 C C5 . ZMR N . ? 0.0634 0.0883 0.1417 -0.0018 -0.0211 -0.0458 901 ZMR B C5 6251 N N5 . ZMR N . ? 0.0915 0.0890 0.1109 0.0036 -0.0589 -0.0553 901 ZMR B N5 6252 C C10 . ZMR N . ? 0.1179 0.1126 0.1224 -0.0024 -0.0253 -0.0201 901 ZMR B C10 6253 O O10 . ZMR N . ? 0.1381 0.1281 0.1192 -0.0138 -0.0034 -0.0048 901 ZMR B O10 6254 C C11 . ZMR N . ? 0.1325 0.1273 0.1197 0.0216 -0.0489 -0.0115 901 ZMR B C11 6255 C C6 . ZMR N . ? 0.0663 0.0899 0.1740 0.0068 -0.0203 -0.0184 901 ZMR B C6 6256 O O6 . ZMR N . ? 0.0912 0.0952 0.1874 0.0059 -0.0069 -0.0251 901 ZMR B O6 6257 C C7 . ZMR N . ? 0.0897 0.0777 0.1789 0.0176 0.0058 0.0366 901 ZMR B C7 6258 O O7 . ZMR N . ? 0.1169 0.1315 0.1933 0.0130 0.0065 0.0196 901 ZMR B O7 6259 C C8 . ZMR N . ? 0.1185 0.0604 0.1702 0.0130 0.0037 0.0290 901 ZMR B C8 6260 O O8 . ZMR N . ? 0.1302 0.0890 0.1592 -0.0071 -0.0100 0.0329 901 ZMR B O8 6261 C C9 . ZMR N . ? 0.1462 0.0542 0.2178 0.0110 -0.0090 -0.0235 901 ZMR B C9 6262 O O9 . ZMR N . ? 0.1589 0.0691 0.1865 0.0040 -0.0306 -0.0298 901 ZMR B O9 6263 N NE . ZMR N . ? 0.0645 0.0985 0.1444 0.0081 0.0030 -0.0062 901 ZMR B NE 6264 C CZ . ZMR N . ? 0.0917 0.0989 0.0946 0.0069 0.0044 0.0178 901 ZMR B CZ 6265 N NH1 . ZMR N . ? 0.1099 0.1022 0.0831 0.0030 0.0033 0.0389 901 ZMR B NH1 6266 N NH2 . ZMR N . ? 0.1019 0.1071 0.1160 0.0133 0.0464 0.0235 901 ZMR B NH2 6267 C C1 . GOL O . ? 0.3835 0.3210 0.4410 -0.0935 -0.0121 -0.0328 1 GOL B C1 6268 O O1 . GOL O . ? 0.4029 0.3374 0.4876 -0.0603 -0.0150 -0.0601 1 GOL B O1 6269 C C2 . GOL O . ? 0.3618 0.2800 0.4167 -0.0950 -0.0090 -0.0255 1 GOL B C2 6270 O O2 . GOL O . ? 0.3803 0.2762 0.4303 -0.1073 -0.0342 -0.0120 1 GOL B O2 6271 C C3 . GOL O . ? 0.3289 0.2533 0.4002 -0.0682 -0.0230 -0.0278 1 GOL B C3 6272 O O3 . GOL O . ? 0.2652 0.1717 0.3588 -0.0515 -0.0312 -0.0147 1 GOL B O3 6273 C C1 . GOL P . ? 0.2869 0.2970 0.2418 -0.1048 0.0297 0.0238 472 GOL B C1 6274 O O1 . GOL P . ? 0.2160 0.2587 0.1734 -0.1067 0.0096 0.0362 472 GOL B O1 6275 C C2 . GOL P . ? 0.3306 0.3344 0.3189 -0.0823 0.0304 0.0470 472 GOL B C2 6276 O O2 . GOL P . ? 0.3175 0.3351 0.2846 -0.1028 0.0738 0.0403 472 GOL B O2 6277 C C3 . GOL P . ? 0.3626 0.3510 0.3635 -0.0670 -0.0048 0.0872 472 GOL B C3 6278 O O3 . GOL P . ? 0.3696 0.3473 0.3699 -0.0766 -0.0396 0.1222 472 GOL B O3 # 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 PRO 1 82 82 PRO PRO A . n A 1 2 GLU 2 83 83 GLU GLU A . n A 1 3 PHE 3 84 84 PHE PHE A . n A 1 4 LEU 4 85 85 LEU LEU A . n A 1 5 ASN 5 86 86 ASN ASN A . n A 1 6 ASN 6 87 87 ASN ASN A . n A 1 7 THR 7 88 88 THR THR A . n A 1 8 GLU 8 89 89 GLU GLU A . n A 1 9 PRO 9 90 90 PRO PRO A . n A 1 10 LEU 10 91 91 LEU LEU A . n A 1 11 CYS 11 92 92 CYS CYS A . n A 1 12 ASN 12 93 93 ASN ASN A . n A 1 13 VAL 13 94 94 VAL VAL A . n A 1 14 SER 14 95 95 SER SER A . n A 1 15 GLY 15 96 96 GLY GLY A . n A 1 16 PHE 16 97 97 PHE PHE A . n A 1 17 ALA 17 98 98 ALA ALA A . n A 1 18 ILE 18 99 99 ILE ILE A . n A 1 19 VAL 19 100 100 VAL VAL A . n A 1 20 SER 20 101 101 SER SER A . n A 1 21 LYS 21 102 102 LYS LYS A . n A 1 22 ASP 22 103 103 ASP ASP A . n A 1 23 ASN 23 104 104 ASN ASN A . n A 1 24 GLY 24 105 105 GLY GLY A . n A 1 25 ILE 25 106 106 ILE ILE A . n A 1 26 ARG 26 107 107 ARG ARG A . n A 1 27 ILE 27 108 108 ILE ILE A . n A 1 28 GLY 28 109 109 GLY GLY A . n A 1 29 SER 29 110 110 SER SER A . n A 1 30 ARG 30 111 111 ARG ARG A . n A 1 31 GLY 31 112 112 GLY GLY A . n A 1 32 HIS 32 113 113 HIS HIS A . n A 1 33 VAL 33 114 114 VAL VAL A . n A 1 34 PHE 34 115 115 PHE PHE A . n A 1 35 VAL 35 116 116 VAL VAL A . n A 1 36 ILE 36 117 117 ILE ILE A . n A 1 37 ARG 37 118 118 ARG ARG A . n A 1 38 GLU 38 119 119 GLU GLU A . n A 1 39 PRO 39 120 120 PRO PRO A . n A 1 40 PHE 40 121 121 PHE PHE A . n A 1 41 VAL 41 122 122 VAL VAL A . n A 1 42 ALA 42 123 123 ALA ALA A . n A 1 43 CYS 43 124 124 CYS CYS A . n A 1 44 GLY 44 125 125 GLY GLY A . n A 1 45 PRO 45 126 126 PRO PRO A . n A 1 46 THR 46 127 127 THR THR A . n A 1 47 GLU 47 128 128 GLU GLU A . n A 1 48 CYS 48 129 129 CYS CYS A . n A 1 49 ARG 49 130 130 ARG ARG A . n A 1 50 THR 50 131 131 THR THR A . n A 1 51 PHE 51 132 132 PHE PHE A . n A 1 52 PHE 52 133 133 PHE PHE A . n A 1 53 LEU 53 134 134 LEU LEU A . n A 1 54 THR 54 135 135 THR THR A . n A 1 55 GLN 55 136 136 GLN GLN A . n A 1 56 GLY 56 137 137 GLY GLY A . n A 1 57 ALA 57 138 138 ALA ALA A . n A 1 58 LEU 58 139 139 LEU LEU A . n A 1 59 LEU 59 140 140 LEU LEU A . n A 1 60 ASN 60 141 141 ASN ASN A . n A 1 61 ASP 61 142 142 ASP ASP A . n A 1 62 LYS 62 143 143 LYS LYS A . n A 1 63 HIS 63 144 144 HIS HIS A . n A 1 64 SER 64 145 145 SER SER A . n A 1 65 ASN 65 146 146 ASN ASN A . n A 1 66 ASN 66 147 147 ASN ASN A . n A 1 67 THR 67 148 148 THR THR A . n A 1 68 VAL 68 149 149 VAL VAL A . n A 1 69 LYS 69 150 150 LYS LYS A . n A 1 70 ASP 70 151 151 ASP ASP A . n A 1 71 ARG 71 152 152 ARG ARG A . n A 1 72 SER 72 153 153 SER SER A . n A 1 73 PRO 73 154 154 PRO PRO A . n A 1 74 TYR 74 155 155 TYR TYR A . n A 1 75 ARG 75 156 156 ARG ARG A . n A 1 76 ALA 76 157 157 ALA ALA A . n A 1 77 LEU 77 158 158 LEU LEU A . n A 1 78 MET 78 159 159 MET MET A . n A 1 79 SER 79 160 160 SER SER A . n A 1 80 VAL 80 161 161 VAL VAL A . n A 1 81 PRO 81 162 162 PRO PRO A . n A 1 82 LEU 82 163 163 LEU LEU A . n A 1 83 GLY 83 164 164 GLY GLY A . n A 1 84 SER 84 164 164 SER SER A A n A 1 85 SER 85 165 165 SER SER A . n A 1 86 PRO 86 166 166 PRO PRO A . n A 1 87 ASN 87 167 167 ASN ASN A . n A 1 88 ALA 88 168 168 ALA ALA A . n A 1 89 TYR 89 169 169 TYR TYR A . n A 1 90 GLN 90 170 170 GLN GLN A . n A 1 91 ALA 91 171 171 ALA ALA A . n A 1 92 LYS 92 172 172 LYS LYS A . n A 1 93 PHE 93 173 173 PHE PHE A . n A 1 94 GLU 94 174 174 GLU GLU A . n A 1 95 SER 95 175 175 SER SER A . n A 1 96 VAL 96 176 176 VAL VAL A . n A 1 97 ALA 97 177 177 ALA ALA A . n A 1 98 TRP 98 178 178 TRP TRP A . n A 1 99 SER 99 179 179 SER SER A . n A 1 100 ALA 100 180 180 ALA ALA A . n A 1 101 THR 101 181 181 THR THR A . n A 1 102 ALA 102 182 182 ALA ALA A . n A 1 103 CYS 103 183 183 CYS CYS A . n A 1 104 HIS 104 184 184 HIS HIS A . n A 1 105 ASP 105 185 185 ASP ASP A . n A 1 106 GLY 106 186 186 GLY GLY A . n A 1 107 LYS 107 187 187 LYS LYS A . n A 1 108 LYS 108 188 188 LYS LYS A . n A 1 109 TRP 109 189 189 TRP TRP A . n A 1 110 LEU 110 190 190 LEU LEU A . n A 1 111 ALA 111 191 191 ALA ALA A . n A 1 112 VAL 112 192 192 VAL VAL A . n A 1 113 GLY 113 193 193 GLY GLY A . n A 1 114 ILE 114 194 194 ILE ILE A . n A 1 115 SER 115 195 195 SER SER A . n A 1 116 GLY 116 196 196 GLY GLY A . n A 1 117 ALA 117 197 197 ALA ALA A . n A 1 118 ASP 118 198 198 ASP ASP A . n A 1 119 ASP 119 199 199 ASP ASP A . n A 1 120 ASP 120 200 200 ASP ASP A . n A 1 121 ALA 121 201 201 ALA ALA A . n A 1 122 TYR 122 202 202 TYR TYR A . n A 1 123 ALA 123 203 203 ALA ALA A . n A 1 124 VAL 124 204 204 VAL VAL A . n A 1 125 ILE 125 205 205 ILE ILE A . n A 1 126 HIS 126 206 206 HIS HIS A . n A 1 127 TYR 127 207 207 TYR TYR A . n A 1 128 GLY 128 208 208 GLY GLY A . n A 1 129 GLY 129 209 209 GLY GLY A . n A 1 130 MET 130 210 210 MET MET A . n A 1 131 PRO 131 211 211 PRO PRO A . n A 1 132 THR 132 212 212 THR THR A . n A 1 133 ASP 133 213 213 ASP ASP A . n A 1 134 VAL 134 214 214 VAL VAL A . n A 1 135 VAL 135 215 215 VAL VAL A . n A 1 136 ARG 136 216 216 ARG ARG A . n A 1 137 SER 137 217 217 SER SER A . n A 1 138 TRP 138 218 218 TRP TRP A . n A 1 139 ARG 139 219 219 ARG ARG A . n A 1 140 LYS 140 220 220 LYS LYS A . n A 1 141 GLN 141 221 221 GLN GLN A . n A 1 142 ILE 142 222 222 ILE ILE A . n A 1 143 LEU 143 223 223 LEU LEU A . n A 1 144 ARG 144 224 224 ARG ARG A . n A 1 145 THR 145 225 225 THR THR A . n A 1 146 GLN 146 226 226 GLN GLN A . n A 1 147 GLU 147 227 227 GLU GLU A . n A 1 148 SER 148 228 228 SER SER A . n A 1 149 SER 149 229 229 SER SER A . n A 1 150 CYS 150 230 230 CYS CYS A . n A 1 151 VAL 151 231 231 VAL VAL A . n A 1 152 CYS 152 232 232 CYS CYS A . n A 1 153 MET 153 233 233 MET MET A . n A 1 154 ASN 154 234 234 ASN ASN A . n A 1 155 GLY 155 235 235 GLY GLY A . n A 1 156 ASN 156 236 236 ASN ASN A . n A 1 157 CYS 157 237 237 CYS CYS A . n A 1 158 TYR 158 238 238 TYR TYR A . n A 1 159 TRP 159 239 239 TRP TRP A . n A 1 160 VAL 160 240 240 VAL VAL A . n A 1 161 MET 161 241 241 MET MET A . n A 1 162 THR 162 242 242 THR THR A . n A 1 163 ASP 163 243 243 ASP ASP A . n A 1 164 GLY 164 244 244 GLY GLY A . n A 1 165 PRO 165 245 245 PRO PRO A . n A 1 166 ALA 166 246 246 ALA ALA A . n A 1 167 ASN 167 247 247 ASN ASN A . n A 1 168 SER 168 248 248 SER SER A . n A 1 169 GLN 169 249 249 GLN GLN A . n A 1 170 ALA 170 250 250 ALA ALA A . n A 1 171 SER 171 251 251 SER SER A . n A 1 172 TYR 172 252 252 TYR TYR A . n A 1 173 LYS 173 253 253 LYS LYS A . n A 1 174 ILE 174 254 254 ILE ILE A . n A 1 175 PHE 175 255 255 PHE PHE A . n A 1 176 LYS 176 256 256 LYS LYS A . n A 1 177 SER 177 257 257 SER SER A . n A 1 178 HIS 178 258 258 HIS HIS A . n A 1 179 GLU 179 259 259 GLU GLU A . n A 1 180 GLY 180 260 260 GLY GLY A . n A 1 181 MET 181 261 261 MET MET A . n A 1 182 VAL 182 262 262 VAL VAL A . n A 1 183 THR 183 263 263 THR THR A . n A 1 184 ASN 184 264 264 ASN ASN A . n A 1 185 GLU 185 265 265 GLU GLU A . n A 1 186 ARG 186 266 266 ARG ARG A . n A 1 187 GLU 187 267 267 GLU GLU A . n A 1 188 VAL 188 268 268 VAL VAL A . n A 1 189 SER 189 269 269 SER SER A . n A 1 190 PHE 190 270 270 PHE PHE A . n A 1 191 GLN 191 271 271 GLN GLN A . n A 1 192 GLY 192 272 272 GLY GLY A . n A 1 193 GLY 193 273 273 GLY GLY A . n A 1 194 HIS 194 274 274 HIS HIS A . n A 1 195 ILE 195 275 275 ILE ILE A . n A 1 196 GLU 196 276 276 GLU GLU A . n A 1 197 GLU 197 277 277 GLU GLU A . n A 1 198 CYS 198 278 278 CYS CYS A . n A 1 199 SER 199 279 279 SER SER A . n A 1 200 CYS 200 280 280 CYS CYS A . n A 1 201 TYR 201 281 281 TYR TYR A . n A 1 202 PRO 202 282 282 PRO PRO A . n A 1 203 ASN 203 283 283 ASN ASN A . n A 1 204 LEU 204 284 284 LEU LEU A . n A 1 205 GLY 205 285 285 GLY GLY A . n A 1 206 LYS 206 286 286 LYS LYS A . n A 1 207 VAL 207 287 287 VAL VAL A . n A 1 208 GLU 208 288 288 GLU GLU A . n A 1 209 CYS 209 289 289 CYS CYS A . n A 1 210 VAL 210 290 290 VAL VAL A . n A 1 211 CYS 211 291 291 CYS CYS A . n A 1 212 ARG 212 292 292 ARG ARG A . n A 1 213 ASP 213 293 293 ASP ASP A . n A 1 214 ASN 214 294 294 ASN ASN A . n A 1 215 TRP 215 295 295 TRP TRP A . n A 1 216 ASN 216 296 296 ASN ASN A . n A 1 217 GLY 217 297 297 GLY GLY A . n A 1 218 MET 218 298 298 MET MET A . n A 1 219 ASN 219 299 299 ASN ASN A . n A 1 220 ARG 220 300 300 ARG ARG A . n A 1 221 PRO 221 301 301 PRO PRO A . n A 1 222 ILE 222 302 302 ILE ILE A . n A 1 223 LEU 223 303 303 LEU LEU A . n A 1 224 ILE 224 304 304 ILE ILE A . n A 1 225 PHE 225 305 305 PHE PHE A . n A 1 226 ASP 226 306 306 ASP ASP A . n A 1 227 GLU 227 308 308 GLU GLU A . n A 1 228 ASP 228 309 309 ASP ASP A . n A 1 229 LEU 229 310 310 LEU LEU A . n A 1 230 ASP 230 311 311 ASP ASP A . n A 1 231 TYR 231 312 312 TYR TYR A . n A 1 232 GLU 232 313 313 GLU GLU A . n A 1 233 VAL 233 314 314 VAL VAL A . n A 1 234 GLY 234 315 315 GLY GLY A . n A 1 235 TYR 235 316 316 TYR TYR A . n A 1 236 LEU 236 317 317 LEU LEU A . n A 1 237 CYS 237 318 318 CYS CYS A . n A 1 238 ALA 238 319 319 ALA ALA A . n A 1 239 GLY 239 320 320 GLY GLY A . n A 1 240 ILE 240 321 321 ILE ILE A . n A 1 241 PRO 241 322 322 PRO PRO A . n A 1 242 THR 242 323 323 THR THR A . n A 1 243 ASP 243 324 324 ASP ASP A . n A 1 244 THR 244 325 325 THR THR A . n A 1 245 PRO 245 326 326 PRO PRO A . n A 1 246 ARG 246 327 327 ARG ARG A . n A 1 247 VAL 247 328 328 VAL VAL A . n A 1 248 GLN 248 329 329 GLN GLN A . n A 1 249 ASP 249 330 330 ASP ASP A . n A 1 250 SER 250 331 331 SER SER A . n A 1 251 SER 251 332 332 SER SER A . n A 1 252 PHE 252 333 333 PHE PHE A . n A 1 253 THR 253 334 334 THR THR A . n A 1 254 GLY 254 335 335 GLY GLY A . n A 1 255 SER 255 336 336 SER SER A . n A 1 256 CYS 256 337 337 CYS CYS A . n A 1 257 THR 257 338 338 THR THR A . n A 1 258 ASN 258 339 339 ASN ASN A . n A 1 259 ALA 259 340 340 ALA ALA A . n A 1 260 VAL 260 341 341 VAL VAL A . n A 1 261 GLY 261 342 342 GLY GLY A . n A 1 262 GLY 262 343 343 GLY GLY A . n A 1 263 SER 263 344 344 SER SER A . n A 1 264 GLY 264 345 345 GLY GLY A . n A 1 265 THR 265 346 346 THR THR A . n A 1 266 ASN 266 346 346 ASN ASN A A n A 1 267 ASN 267 346 346 ASN ASN A B n A 1 268 TYR 268 347 347 TYR TYR A . n A 1 269 GLY 269 348 348 GLY GLY A . n A 1 270 VAL 270 349 349 VAL VAL A . n A 1 271 LYS 271 350 350 LYS LYS A . n A 1 272 GLY 272 351 351 GLY GLY A . n A 1 273 PHE 273 352 352 PHE PHE A . n A 1 274 GLY 274 353 353 GLY GLY A . n A 1 275 PHE 275 354 354 PHE PHE A . n A 1 276 ARG 276 355 355 ARG ARG A . n A 1 277 GLN 277 356 356 GLN GLN A . n A 1 278 GLY 278 357 357 GLY GLY A . n A 1 279 ASN 279 358 358 ASN ASN A . n A 1 280 SER 280 359 359 SER SER A . n A 1 281 VAL 281 360 360 VAL VAL A . n A 1 282 TRP 282 361 361 TRP TRP A . n A 1 283 ALA 283 362 362 ALA ALA A . n A 1 284 GLY 284 363 363 GLY GLY A . n A 1 285 ARG 285 364 364 ARG ARG A . n A 1 286 THR 286 365 365 THR THR A . n A 1 287 VAL 287 366 366 VAL VAL A . n A 1 288 SER 288 367 367 SER SER A . n A 1 289 ILE 289 368 368 ILE ILE A . n A 1 290 SER 290 369 369 SER SER A . n A 1 291 SER 291 370 370 SER SER A . n A 1 292 ARG 292 371 371 ARG ARG A . n A 1 293 SER 293 372 372 SER SER A . n A 1 294 GLY 294 373 373 GLY GLY A . n A 1 295 PHE 295 374 374 PHE PHE A . n A 1 296 GLU 296 375 375 GLU GLU A . n A 1 297 ILE 297 376 376 ILE ILE A . n A 1 298 LEU 298 377 377 LEU LEU A . n A 1 299 LEU 299 378 378 LEU LEU A . n A 1 300 ILE 300 379 379 ILE ILE A . n A 1 301 GLU 301 380 380 GLU GLU A . n A 1 302 ASP 302 381 381 ASP ASP A . n A 1 303 GLY 303 382 382 GLY GLY A . n A 1 304 TRP 304 383 383 TRP TRP A . n A 1 305 ILE 305 384 384 ILE ILE A . n A 1 306 ARG 306 385 385 ARG ARG A . n A 1 307 THR 307 387 387 THR THR A . n A 1 308 SER 308 388 388 SER SER A . n A 1 309 LYS 309 389 389 LYS LYS A . n A 1 310 THR 310 390 390 THR THR A . n A 1 311 ILE 311 391 391 ILE ILE A . n A 1 312 VAL 312 392 392 VAL VAL A . n A 1 313 LYS 313 393 393 LYS LYS A . n A 1 314 LYS 314 394 394 LYS LYS A . n A 1 315 VAL 315 395 395 VAL VAL A . n A 1 316 GLU 316 396 396 GLU GLU A . n A 1 317 VAL 317 397 397 VAL VAL A . n A 1 318 LEU 318 398 398 LEU LEU A . n A 1 319 ASN 319 399 399 ASN ASN A . n A 1 320 ASN 320 400 400 ASN ASN A . n A 1 321 LYS 321 401 401 LYS LYS A . n A 1 322 ASN 322 402 402 ASN ASN A . n A 1 323 TRP 323 403 403 TRP TRP A . n A 1 324 SER 324 404 404 SER SER A . n A 1 325 GLY 325 405 405 GLY GLY A . n A 1 326 TYR 326 406 406 TYR TYR A . n A 1 327 SER 327 407 407 SER SER A . n A 1 328 GLY 328 408 408 GLY GLY A . n A 1 329 ALA 329 409 409 ALA ALA A . n A 1 330 PHE 330 410 410 PHE PHE A . n A 1 331 THR 331 411 411 THR THR A . n A 1 332 ILE 332 412 412 ILE ILE A . n A 1 333 PRO 333 413 413 PRO PRO A . n A 1 334 ILE 334 413 413 ILE ILE A A n A 1 335 THR 335 413 413 THR THR A B n A 1 336 MET 336 413 413 MET MET A C n A 1 337 THR 337 413 413 THR THR A D n A 1 338 SER 338 414 414 SER SER A . n A 1 339 LYS 339 415 415 LYS LYS A . n A 1 340 GLN 340 416 416 GLN GLN A . n A 1 341 CYS 341 417 417 CYS CYS A . n A 1 342 LEU 342 418 418 LEU LEU A . n A 1 343 VAL 343 419 419 VAL VAL A . n A 1 344 PRO 344 420 420 PRO PRO A . n A 1 345 CYS 345 421 421 CYS CYS A . n A 1 346 PHE 346 422 422 PHE PHE A . n A 1 347 TRP 347 423 423 TRP TRP A . n A 1 348 LEU 348 424 424 LEU LEU A . n A 1 349 GLU 349 425 425 GLU GLU A . n A 1 350 MET 350 426 426 MET MET A . n A 1 351 ILE 351 427 427 ILE ILE A . n A 1 352 ARG 352 428 428 ARG ARG A . n A 1 353 GLY 353 429 429 GLY GLY A . n A 1 354 LYS 354 430 430 LYS LYS A . n A 1 355 PRO 355 431 431 PRO PRO A . n A 1 356 GLU 356 432 432 GLU GLU A . n A 1 357 GLU 357 433 433 GLU GLU A . n A 1 358 ARG 358 434 434 ARG ARG A . n A 1 359 THR 359 435 435 THR THR A . n A 1 360 SER 360 436 436 SER SER A . n A 1 361 ILE 361 437 437 ILE ILE A . n A 1 362 TRP 362 438 438 TRP TRP A . n A 1 363 THR 363 439 439 THR THR A . n A 1 364 SER 364 440 440 SER SER A . n A 1 365 SER 365 441 441 SER SER A . n A 1 366 SER 366 442 442 SER SER A . n A 1 367 SER 367 443 443 SER SER A . n A 1 368 THR 368 444 444 THR THR A . n A 1 369 VAL 369 445 445 VAL VAL A . n A 1 370 PHE 370 446 446 PHE PHE A . n A 1 371 CYS 371 447 447 CYS CYS A . n A 1 372 GLY 372 448 448 GLY GLY A . n A 1 373 VAL 373 449 449 VAL VAL A . n A 1 374 SER 374 450 450 SER SER A . n A 1 375 SER 375 451 451 SER SER A . n A 1 376 GLU 376 452 452 GLU GLU A . n A 1 377 VAL 377 453 453 VAL VAL A . n A 1 378 PRO 378 454 454 PRO PRO A . n A 1 379 GLY 379 455 455 GLY GLY A . n A 1 380 TRP 380 456 456 TRP TRP A . n A 1 381 SER 381 457 457 SER SER A . n A 1 382 TRP 382 458 458 TRP TRP A . n A 1 383 ASP 383 459 459 ASP ASP A . n A 1 384 ASP 384 460 460 ASP ASP A . n A 1 385 GLY 385 461 461 GLY GLY A . n A 1 386 ALA 386 462 462 ALA ALA A . n A 1 387 ILE 387 463 463 ILE ILE A . n A 1 388 LEU 388 464 464 LEU LEU A . n A 1 389 PRO 389 465 465 PRO PRO A . n A 1 390 PHE 390 466 466 PHE PHE A . n A 1 391 ASP 391 467 467 ASP ASP A . n A 1 392 ILE 392 468 468 ILE ILE A . n A 1 393 ASP 393 469 469 ASP ASP A . n A 1 394 LYS 394 470 470 LYS LYS A . n A 1 395 MET 395 471 ? ? ? A . n B 1 1 PRO 1 82 82 PRO PRO B . n B 1 2 GLU 2 83 83 GLU GLU B . n B 1 3 PHE 3 84 84 PHE PHE B . n B 1 4 LEU 4 85 85 LEU LEU B . n B 1 5 ASN 5 86 86 ASN ASN B . n B 1 6 ASN 6 87 87 ASN ASN B . n B 1 7 THR 7 88 88 THR THR B . n B 1 8 GLU 8 89 89 GLU GLU B . n B 1 9 PRO 9 90 90 PRO PRO B . n B 1 10 LEU 10 91 91 LEU LEU B . n B 1 11 CYS 11 92 92 CYS CYS B . n B 1 12 ASN 12 93 93 ASN ASN B . n B 1 13 VAL 13 94 94 VAL VAL B . n B 1 14 SER 14 95 95 SER SER B . n B 1 15 GLY 15 96 96 GLY GLY B . n B 1 16 PHE 16 97 97 PHE PHE B . n B 1 17 ALA 17 98 98 ALA ALA B . n B 1 18 ILE 18 99 99 ILE ILE B . n B 1 19 VAL 19 100 100 VAL VAL B . n B 1 20 SER 20 101 101 SER SER B . n B 1 21 LYS 21 102 102 LYS LYS B . n B 1 22 ASP 22 103 103 ASP ASP B . n B 1 23 ASN 23 104 104 ASN ASN B . n B 1 24 GLY 24 105 105 GLY GLY B . n B 1 25 ILE 25 106 106 ILE ILE B . n B 1 26 ARG 26 107 107 ARG ARG B . n B 1 27 ILE 27 108 108 ILE ILE B . n B 1 28 GLY 28 109 109 GLY GLY B . n B 1 29 SER 29 110 110 SER SER B . n B 1 30 ARG 30 111 111 ARG ARG B . n B 1 31 GLY 31 112 112 GLY GLY B . n B 1 32 HIS 32 113 113 HIS HIS B . n B 1 33 VAL 33 114 114 VAL VAL B . n B 1 34 PHE 34 115 115 PHE PHE B . n B 1 35 VAL 35 116 116 VAL VAL B . n B 1 36 ILE 36 117 117 ILE ILE B . n B 1 37 ARG 37 118 118 ARG ARG B . n B 1 38 GLU 38 119 119 GLU GLU B . n B 1 39 PRO 39 120 120 PRO PRO B . n B 1 40 PHE 40 121 121 PHE PHE B . n B 1 41 VAL 41 122 122 VAL VAL B . n B 1 42 ALA 42 123 123 ALA ALA B . n B 1 43 CYS 43 124 124 CYS CYS B . n B 1 44 GLY 44 125 125 GLY GLY B . n B 1 45 PRO 45 126 126 PRO PRO B . n B 1 46 THR 46 127 127 THR THR B . n B 1 47 GLU 47 128 128 GLU GLU B . n B 1 48 CYS 48 129 129 CYS CYS B . n B 1 49 ARG 49 130 130 ARG ARG B . n B 1 50 THR 50 131 131 THR THR B . n B 1 51 PHE 51 132 132 PHE PHE B . n B 1 52 PHE 52 133 133 PHE PHE B . n B 1 53 LEU 53 134 134 LEU LEU B . n B 1 54 THR 54 135 135 THR THR B . n B 1 55 GLN 55 136 136 GLN GLN B . n B 1 56 GLY 56 137 137 GLY GLY B . n B 1 57 ALA 57 138 138 ALA ALA B . n B 1 58 LEU 58 139 139 LEU LEU B . n B 1 59 LEU 59 140 140 LEU LEU B . n B 1 60 ASN 60 141 141 ASN ASN B . n B 1 61 ASP 61 142 142 ASP ASP B . n B 1 62 LYS 62 143 143 LYS LYS B . n B 1 63 HIS 63 144 144 HIS HIS B . n B 1 64 SER 64 145 145 SER SER B . n B 1 65 ASN 65 146 146 ASN ASN B . n B 1 66 ASN 66 147 147 ASN ASN B . n B 1 67 THR 67 148 148 THR THR B . n B 1 68 VAL 68 149 149 VAL VAL B . n B 1 69 LYS 69 150 150 LYS LYS B . n B 1 70 ASP 70 151 151 ASP ASP B . n B 1 71 ARG 71 152 152 ARG ARG B . n B 1 72 SER 72 153 153 SER SER B . n B 1 73 PRO 73 154 154 PRO PRO B . n B 1 74 TYR 74 155 155 TYR TYR B . n B 1 75 ARG 75 156 156 ARG ARG B . n B 1 76 ALA 76 157 157 ALA ALA B . n B 1 77 LEU 77 158 158 LEU LEU B . n B 1 78 MET 78 159 159 MET MET B . n B 1 79 SER 79 160 160 SER SER B . n B 1 80 VAL 80 161 161 VAL VAL B . n B 1 81 PRO 81 162 162 PRO PRO B . n B 1 82 LEU 82 163 163 LEU LEU B . n B 1 83 GLY 83 164 164 GLY GLY B . n B 1 84 SER 84 164 164 SER SER B A n B 1 85 SER 85 165 165 SER SER B . n B 1 86 PRO 86 166 166 PRO PRO B . n B 1 87 ASN 87 167 167 ASN ASN B . n B 1 88 ALA 88 168 168 ALA ALA B . n B 1 89 TYR 89 169 169 TYR TYR B . n B 1 90 GLN 90 170 170 GLN GLN B . n B 1 91 ALA 91 171 171 ALA ALA B . n B 1 92 LYS 92 172 172 LYS LYS B . n B 1 93 PHE 93 173 173 PHE PHE B . n B 1 94 GLU 94 174 174 GLU GLU B . n B 1 95 SER 95 175 175 SER SER B . n B 1 96 VAL 96 176 176 VAL VAL B . n B 1 97 ALA 97 177 177 ALA ALA B . n B 1 98 TRP 98 178 178 TRP TRP B . n B 1 99 SER 99 179 179 SER SER B . n B 1 100 ALA 100 180 180 ALA ALA B . n B 1 101 THR 101 181 181 THR THR B . n B 1 102 ALA 102 182 182 ALA ALA B . n B 1 103 CYS 103 183 183 CYS CYS B . n B 1 104 HIS 104 184 184 HIS HIS B . n B 1 105 ASP 105 185 185 ASP ASP B . n B 1 106 GLY 106 186 186 GLY GLY B . n B 1 107 LYS 107 187 187 LYS LYS B . n B 1 108 LYS 108 188 188 LYS LYS B . n B 1 109 TRP 109 189 189 TRP TRP B . n B 1 110 LEU 110 190 190 LEU LEU B . n B 1 111 ALA 111 191 191 ALA ALA B . n B 1 112 VAL 112 192 192 VAL VAL B . n B 1 113 GLY 113 193 193 GLY GLY B . n B 1 114 ILE 114 194 194 ILE ILE B . n B 1 115 SER 115 195 195 SER SER B . n B 1 116 GLY 116 196 196 GLY GLY B . n B 1 117 ALA 117 197 197 ALA ALA B . n B 1 118 ASP 118 198 198 ASP ASP B . n B 1 119 ASP 119 199 199 ASP ASP B . n B 1 120 ASP 120 200 200 ASP ASP B . n B 1 121 ALA 121 201 201 ALA ALA B . n B 1 122 TYR 122 202 202 TYR TYR B . n B 1 123 ALA 123 203 203 ALA ALA B . n B 1 124 VAL 124 204 204 VAL VAL B . n B 1 125 ILE 125 205 205 ILE ILE B . n B 1 126 HIS 126 206 206 HIS HIS B . n B 1 127 TYR 127 207 207 TYR TYR B . n B 1 128 GLY 128 208 208 GLY GLY B . n B 1 129 GLY 129 209 209 GLY GLY B . n B 1 130 MET 130 210 210 MET MET B . n B 1 131 PRO 131 211 211 PRO PRO B . n B 1 132 THR 132 212 212 THR THR B . n B 1 133 ASP 133 213 213 ASP ASP B . n B 1 134 VAL 134 214 214 VAL VAL B . n B 1 135 VAL 135 215 215 VAL VAL B . n B 1 136 ARG 136 216 216 ARG ARG B . n B 1 137 SER 137 217 217 SER SER B . n B 1 138 TRP 138 218 218 TRP TRP B . n B 1 139 ARG 139 219 219 ARG ARG B . n B 1 140 LYS 140 220 220 LYS LYS B . n B 1 141 GLN 141 221 221 GLN GLN B . n B 1 142 ILE 142 222 222 ILE ILE B . n B 1 143 LEU 143 223 223 LEU LEU B . n B 1 144 ARG 144 224 224 ARG ARG B . n B 1 145 THR 145 225 225 THR THR B . n B 1 146 GLN 146 226 226 GLN GLN B . n B 1 147 GLU 147 227 227 GLU GLU B . n B 1 148 SER 148 228 228 SER SER B . n B 1 149 SER 149 229 229 SER SER B . n B 1 150 CYS 150 230 230 CYS CYS B . n B 1 151 VAL 151 231 231 VAL VAL B . n B 1 152 CYS 152 232 232 CYS CYS B . n B 1 153 MET 153 233 233 MET MET B . n B 1 154 ASN 154 234 234 ASN ASN B . n B 1 155 GLY 155 235 235 GLY GLY B . n B 1 156 ASN 156 236 236 ASN ASN B . n B 1 157 CYS 157 237 237 CYS CYS B . n B 1 158 TYR 158 238 238 TYR TYR B . n B 1 159 TRP 159 239 239 TRP TRP B . n B 1 160 VAL 160 240 240 VAL VAL B . n B 1 161 MET 161 241 241 MET MET B . n B 1 162 THR 162 242 242 THR THR B . n B 1 163 ASP 163 243 243 ASP ASP B . n B 1 164 GLY 164 244 244 GLY GLY B . n B 1 165 PRO 165 245 245 PRO PRO B . n B 1 166 ALA 166 246 246 ALA ALA B . n B 1 167 ASN 167 247 247 ASN ASN B . n B 1 168 SER 168 248 248 SER SER B . n B 1 169 GLN 169 249 249 GLN GLN B . n B 1 170 ALA 170 250 250 ALA ALA B . n B 1 171 SER 171 251 251 SER SER B . n B 1 172 TYR 172 252 252 TYR TYR B . n B 1 173 LYS 173 253 253 LYS LYS B . n B 1 174 ILE 174 254 254 ILE ILE B . n B 1 175 PHE 175 255 255 PHE PHE B . n B 1 176 LYS 176 256 256 LYS LYS B . n B 1 177 SER 177 257 257 SER SER B . n B 1 178 HIS 178 258 258 HIS HIS B . n B 1 179 GLU 179 259 259 GLU GLU B . n B 1 180 GLY 180 260 260 GLY GLY B . n B 1 181 MET 181 261 261 MET MET B . n B 1 182 VAL 182 262 262 VAL VAL B . n B 1 183 THR 183 263 263 THR THR B . n B 1 184 ASN 184 264 264 ASN ASN B . n B 1 185 GLU 185 265 265 GLU GLU B . n B 1 186 ARG 186 266 266 ARG ARG B . n B 1 187 GLU 187 267 267 GLU GLU B . n B 1 188 VAL 188 268 268 VAL VAL B . n B 1 189 SER 189 269 269 SER SER B . n B 1 190 PHE 190 270 270 PHE PHE B . n B 1 191 GLN 191 271 271 GLN GLN B . n B 1 192 GLY 192 272 272 GLY GLY B . n B 1 193 GLY 193 273 273 GLY GLY B . n B 1 194 HIS 194 274 274 HIS HIS B . n B 1 195 ILE 195 275 275 ILE ILE B . n B 1 196 GLU 196 276 276 GLU GLU B . n B 1 197 GLU 197 277 277 GLU GLU B . n B 1 198 CYS 198 278 278 CYS CYS B . n B 1 199 SER 199 279 279 SER SER B . n B 1 200 CYS 200 280 280 CYS CYS B . n B 1 201 TYR 201 281 281 TYR TYR B . n B 1 202 PRO 202 282 282 PRO PRO B . n B 1 203 ASN 203 283 283 ASN ASN B . n B 1 204 LEU 204 284 284 LEU LEU B . n B 1 205 GLY 205 285 285 GLY GLY B . n B 1 206 LYS 206 286 286 LYS LYS B . n B 1 207 VAL 207 287 287 VAL VAL B . n B 1 208 GLU 208 288 288 GLU GLU B . n B 1 209 CYS 209 289 289 CYS CYS B . n B 1 210 VAL 210 290 290 VAL VAL B . n B 1 211 CYS 211 291 291 CYS CYS B . n B 1 212 ARG 212 292 292 ARG ARG B . n B 1 213 ASP 213 293 293 ASP ASP B . n B 1 214 ASN 214 294 294 ASN ASN B . n B 1 215 TRP 215 295 295 TRP TRP B . n B 1 216 ASN 216 296 296 ASN ASN B . n B 1 217 GLY 217 297 297 GLY GLY B . n B 1 218 MET 218 298 298 MET MET B . n B 1 219 ASN 219 299 299 ASN ASN B . n B 1 220 ARG 220 300 300 ARG ARG B . n B 1 221 PRO 221 301 301 PRO PRO B . n B 1 222 ILE 222 302 302 ILE ILE B . n B 1 223 LEU 223 303 303 LEU LEU B . n B 1 224 ILE 224 304 304 ILE ILE B . n B 1 225 PHE 225 305 305 PHE PHE B . n B 1 226 ASP 226 306 306 ASP ASP B . n B 1 227 GLU 227 308 308 GLU GLU B . n B 1 228 ASP 228 309 309 ASP ASP B . n B 1 229 LEU 229 310 310 LEU LEU B . n B 1 230 ASP 230 311 311 ASP ASP B . n B 1 231 TYR 231 312 312 TYR TYR B . n B 1 232 GLU 232 313 313 GLU GLU B . n B 1 233 VAL 233 314 314 VAL VAL B . n B 1 234 GLY 234 315 315 GLY GLY B . n B 1 235 TYR 235 316 316 TYR TYR B . n B 1 236 LEU 236 317 317 LEU LEU B . n B 1 237 CYS 237 318 318 CYS CYS B . n B 1 238 ALA 238 319 319 ALA ALA B . n B 1 239 GLY 239 320 320 GLY GLY B . n B 1 240 ILE 240 321 321 ILE ILE B . n B 1 241 PRO 241 322 322 PRO PRO B . n B 1 242 THR 242 323 323 THR THR B . n B 1 243 ASP 243 324 324 ASP ASP B . n B 1 244 THR 244 325 325 THR THR B . n B 1 245 PRO 245 326 326 PRO PRO B . n B 1 246 ARG 246 327 327 ARG ARG B . n B 1 247 VAL 247 328 328 VAL VAL B . n B 1 248 GLN 248 329 329 GLN GLN B . n B 1 249 ASP 249 330 330 ASP ASP B . n B 1 250 SER 250 331 331 SER SER B . n B 1 251 SER 251 332 332 SER SER B . n B 1 252 PHE 252 333 333 PHE PHE B . n B 1 253 THR 253 334 334 THR THR B . n B 1 254 GLY 254 335 335 GLY GLY B . n B 1 255 SER 255 336 336 SER SER B . n B 1 256 CYS 256 337 337 CYS CYS B . n B 1 257 THR 257 338 338 THR THR B . n B 1 258 ASN 258 339 339 ASN ASN B . n B 1 259 ALA 259 340 340 ALA ALA B . n B 1 260 VAL 260 341 341 VAL VAL B . n B 1 261 GLY 261 342 342 GLY GLY B . n B 1 262 GLY 262 343 343 GLY GLY B . n B 1 263 SER 263 344 344 SER SER B . n B 1 264 GLY 264 345 345 GLY GLY B . n B 1 265 THR 265 346 346 THR THR B . n B 1 266 ASN 266 346 346 ASN ASN B A n B 1 267 ASN 267 346 346 ASN ASN B B n B 1 268 TYR 268 347 347 TYR TYR B . n B 1 269 GLY 269 348 348 GLY GLY B . n B 1 270 VAL 270 349 349 VAL VAL B . n B 1 271 LYS 271 350 350 LYS LYS B . n B 1 272 GLY 272 351 351 GLY GLY B . n B 1 273 PHE 273 352 352 PHE PHE B . n B 1 274 GLY 274 353 353 GLY GLY B . n B 1 275 PHE 275 354 354 PHE PHE B . n B 1 276 ARG 276 355 355 ARG ARG B . n B 1 277 GLN 277 356 356 GLN GLN B . n B 1 278 GLY 278 357 357 GLY GLY B . n B 1 279 ASN 279 358 358 ASN ASN B . n B 1 280 SER 280 359 359 SER SER B . n B 1 281 VAL 281 360 360 VAL VAL B . n B 1 282 TRP 282 361 361 TRP TRP B . n B 1 283 ALA 283 362 362 ALA ALA B . n B 1 284 GLY 284 363 363 GLY GLY B . n B 1 285 ARG 285 364 364 ARG ARG B . n B 1 286 THR 286 365 365 THR THR B . n B 1 287 VAL 287 366 366 VAL VAL B . n B 1 288 SER 288 367 367 SER SER B . n B 1 289 ILE 289 368 368 ILE ILE B . n B 1 290 SER 290 369 369 SER SER B . n B 1 291 SER 291 370 370 SER SER B . n B 1 292 ARG 292 371 371 ARG ARG B . n B 1 293 SER 293 372 372 SER SER B . n B 1 294 GLY 294 373 373 GLY GLY B . n B 1 295 PHE 295 374 374 PHE PHE B . n B 1 296 GLU 296 375 375 GLU GLU B . n B 1 297 ILE 297 376 376 ILE ILE B . n B 1 298 LEU 298 377 377 LEU LEU B . n B 1 299 LEU 299 378 378 LEU LEU B . n B 1 300 ILE 300 379 379 ILE ILE B . n B 1 301 GLU 301 380 380 GLU GLU B . n B 1 302 ASP 302 381 381 ASP ASP B . n B 1 303 GLY 303 382 382 GLY GLY B . n B 1 304 TRP 304 383 383 TRP TRP B . n B 1 305 ILE 305 384 384 ILE ILE B . n B 1 306 ARG 306 385 385 ARG ARG B . n B 1 307 THR 307 387 387 THR THR B . n B 1 308 SER 308 388 388 SER SER B . n B 1 309 LYS 309 389 389 LYS LYS B . n B 1 310 THR 310 390 390 THR THR B . n B 1 311 ILE 311 391 391 ILE ILE B . n B 1 312 VAL 312 392 392 VAL VAL B . n B 1 313 LYS 313 393 393 LYS LYS B . n B 1 314 LYS 314 394 394 LYS LYS B . n B 1 315 VAL 315 395 395 VAL VAL B . n B 1 316 GLU 316 396 396 GLU GLU B . n B 1 317 VAL 317 397 397 VAL VAL B . n B 1 318 LEU 318 398 398 LEU LEU B . n B 1 319 ASN 319 399 399 ASN ASN B . n B 1 320 ASN 320 400 400 ASN ASN B . n B 1 321 LYS 321 401 401 LYS LYS B . n B 1 322 ASN 322 402 402 ASN ASN B . n B 1 323 TRP 323 403 403 TRP TRP B . n B 1 324 SER 324 404 404 SER SER B . n B 1 325 GLY 325 405 405 GLY GLY B . n B 1 326 TYR 326 406 406 TYR TYR B . n B 1 327 SER 327 407 407 SER SER B . n B 1 328 GLY 328 408 408 GLY GLY B . n B 1 329 ALA 329 409 409 ALA ALA B . n B 1 330 PHE 330 410 410 PHE PHE B . n B 1 331 THR 331 411 411 THR THR B . n B 1 332 ILE 332 412 412 ILE ILE B . n B 1 333 PRO 333 413 413 PRO PRO B . n B 1 334 ILE 334 413 413 ILE ILE B A n B 1 335 THR 335 413 413 THR THR B B n B 1 336 MET 336 413 413 MET MET B C n B 1 337 THR 337 413 413 THR THR B D n B 1 338 SER 338 414 414 SER SER B . n B 1 339 LYS 339 415 415 LYS LYS B . n B 1 340 GLN 340 416 416 GLN GLN B . n B 1 341 CYS 341 417 417 CYS CYS B . n B 1 342 LEU 342 418 418 LEU LEU B . n B 1 343 VAL 343 419 419 VAL VAL B . n B 1 344 PRO 344 420 420 PRO PRO B . n B 1 345 CYS 345 421 421 CYS CYS B . n B 1 346 PHE 346 422 422 PHE PHE B . n B 1 347 TRP 347 423 423 TRP TRP B . n B 1 348 LEU 348 424 424 LEU LEU B . n B 1 349 GLU 349 425 425 GLU GLU B . n B 1 350 MET 350 426 426 MET MET B . n B 1 351 ILE 351 427 427 ILE ILE B . n B 1 352 ARG 352 428 428 ARG ARG B . n B 1 353 GLY 353 429 429 GLY GLY B . n B 1 354 LYS 354 430 430 LYS LYS B . n B 1 355 PRO 355 431 431 PRO PRO B . n B 1 356 GLU 356 432 432 GLU GLU B . n B 1 357 GLU 357 433 433 GLU GLU B . n B 1 358 ARG 358 434 434 ARG ARG B . n B 1 359 THR 359 435 435 THR THR B . n B 1 360 SER 360 436 436 SER SER B . n B 1 361 ILE 361 437 437 ILE ILE B . n B 1 362 TRP 362 438 438 TRP TRP B . n B 1 363 THR 363 439 439 THR THR B . n B 1 364 SER 364 440 440 SER SER B . n B 1 365 SER 365 441 441 SER SER B . n B 1 366 SER 366 442 442 SER SER B . n B 1 367 SER 367 443 443 SER SER B . n B 1 368 THR 368 444 444 THR THR B . n B 1 369 VAL 369 445 445 VAL VAL B . n B 1 370 PHE 370 446 446 PHE PHE B . n B 1 371 CYS 371 447 447 CYS CYS B . n B 1 372 GLY 372 448 448 GLY GLY B . n B 1 373 VAL 373 449 449 VAL VAL B . n B 1 374 SER 374 450 450 SER SER B . n B 1 375 SER 375 451 451 SER SER B . n B 1 376 GLU 376 452 452 GLU GLU B . n B 1 377 VAL 377 453 453 VAL VAL B . n B 1 378 PRO 378 454 454 PRO PRO B . n B 1 379 GLY 379 455 455 GLY GLY B . n B 1 380 TRP 380 456 456 TRP TRP B . n B 1 381 SER 381 457 457 SER SER B . n B 1 382 TRP 382 458 458 TRP TRP B . n B 1 383 ASP 383 459 459 ASP ASP B . n B 1 384 ASP 384 460 460 ASP ASP B . n B 1 385 GLY 385 461 461 GLY GLY B . n B 1 386 ALA 386 462 462 ALA ALA B . n B 1 387 ILE 387 463 463 ILE ILE B . n B 1 388 LEU 388 464 464 LEU LEU B . n B 1 389 PRO 389 465 465 PRO PRO B . n B 1 390 PHE 390 466 466 PHE PHE B . n B 1 391 ASP 391 467 467 ASP ASP B . n B 1 392 ILE 392 468 468 ILE ILE B . n B 1 393 ASP 393 469 469 ASP ASP B . n B 1 394 LYS 394 470 470 LYS LYS B . n B 1 395 MET 395 471 ? ? ? B . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 65 B ASN 146 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 12 B ASN 93 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 12 A ASN 93 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 65 A ASN 146 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA tetrameric 4 2 author_and_software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2,3,4 A,C,D,E,F,G,H,I,Q 2 1,5,6,7 B,J,K,L,M,N,O,P,R # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 20600 ? 1 MORE -66 ? 1 'SSA (A^2)' 46530 ? 2 'ABSA (A^2)' 20910 ? 2 MORE -68 ? 2 'SSA (A^2)' 46060 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_555 -x,-y,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_555 -y,x,z 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 'crystal symmetry operation' 4_555 y,-x,z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 5 'crystal symmetry operation' 2_465 -x-1,-y+1,z -1.0000000000 0.0000000000 0.0000000000 -112.1100000000 0.0000000000 -1.0000000000 0.0000000000 112.1100000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 6 'crystal symmetry operation' 3_565 -y,x+1,z 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 112.1100000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 7 'crystal symmetry operation' 4_455 y-1,-x,z 0.0000000000 1.0000000000 0.0000000000 -112.1100000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id B _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 520 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id R _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 91.4 ? 2 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? B TYR 268 ? B TYR 347 ? 1_555 91.6 ? 3 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? B TYR 268 ? B TYR 347 ? 1_555 106.6 ? 4 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 87.9 ? 5 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 90.4 ? 6 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 163.0 ? 7 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 3 ? 1_555 97.0 ? 8 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 3 ? 1_555 167.3 ? 9 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 3 ? 1_555 82.7 ? 10 O ? B GLY 217 ? B GLY 297 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 3 ? 1_555 80.5 ? 11 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 43 ? 1_555 175.6 ? 12 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 43 ? 1_555 91.6 ? 13 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 43 ? 1_555 84.4 ? 14 O ? B GLY 217 ? B GLY 297 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 43 ? 1_555 95.4 ? 15 O ? R HOH . ? B HOH 3 ? 1_555 CA ? J CA . ? B CA 601 ? 1_555 O ? R HOH . ? B HOH 43 ? 1_555 80.6 ? 16 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 89.4 ? 17 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A TYR 268 ? A TYR 347 ? 1_555 90.6 ? 18 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A TYR 268 ? A TYR 347 ? 1_555 105.9 ? 19 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 87.7 ? 20 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 90.9 ? 21 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 163.2 ? 22 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 473 ? 1_555 99.8 ? 23 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 473 ? 1_555 167.1 ? 24 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 473 ? 1_555 83.2 ? 25 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 473 ? 1_555 80.6 ? 26 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 4 ? 1_555 174.9 ? 27 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 4 ? 1_555 92.5 ? 28 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 4 ? 1_555 84.3 ? 29 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 4 ? 1_555 97.0 ? 30 O ? Q HOH . ? A HOH 473 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? Q HOH . ? A HOH 4 ? 1_555 79.1 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-08-10 # _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_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal ADSC 'data collection' Quantum ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.5_2)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # loop_ _pdbx_validate_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 ALA A 177 ? ? -170.86 133.30 2 1 ASP A 200 ? ? -164.48 48.91 3 1 THR A 225 ? ? -138.25 -154.58 4 1 PHE A 270 ? ? -151.53 63.33 5 1 TRP A 295 ? ? -117.62 -100.06 6 1 THR A 387 ? ? -76.41 44.83 7 1 SER A 404 ? ? -110.77 -134.50 8 1 SER A 414 ? ? 59.81 16.94 9 1 TRP A 456 ? ? -164.63 -161.80 10 1 ALA B 177 ? ? -172.77 132.46 11 1 ASP B 200 ? ? -164.75 47.21 12 1 THR B 225 ? ? -137.81 -154.79 13 1 ALA B 250 ? ? -126.59 -167.44 14 1 PHE B 270 ? ? -152.62 61.86 15 1 CYS B 291 ? ? -123.36 -169.50 16 1 TRP B 295 ? ? -116.80 -96.66 17 1 THR B 387 ? ? -77.83 45.58 18 1 SER B 404 ? ? -111.50 -136.91 19 1 TRP B 456 ? ? -163.32 -161.11 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A MET 471 ? A MET 395 2 1 Y 1 B MET 471 ? B MET 395 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ZANAMIVIR ZMR 5 GLYCEROL GOL 6 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 CA 1 601 601 CA CA A . D 3 NAG 1 801 801 NAG NAG A . E 3 NAG 2 802 802 NAG NAG A . F 3 NAG 1 803 803 NAG NAG A . G 4 ZMR 1 901 901 ZMR ZMR A . H 5 GOL 1 1 1 GOL GOL A . I 5 GOL 1 472 472 GOL GOL A . J 2 CA 1 601 601 CA CA B . K 3 NAG 1 801 801 NAG NAG B . L 3 NAG 2 802 802 NAG NAG B . M 3 NAG 1 803 803 NAG NAG B . N 4 ZMR 1 901 901 ZMR ZMR B . O 5 GOL 1 1 1 GOL GOL B . P 5 GOL 1 472 472 GOL GOL B . Q 6 HOH 1 4 4 HOH HOH A . Q 6 HOH 2 5 5 HOH HOH A . Q 6 HOH 3 12 12 HOH HOH A . Q 6 HOH 4 13 13 HOH HOH A . Q 6 HOH 5 14 14 HOH HOH A . Q 6 HOH 6 15 15 HOH HOH A . Q 6 HOH 7 18 18 HOH HOH A . Q 6 HOH 8 19 19 HOH HOH A . Q 6 HOH 9 20 20 HOH HOH A . Q 6 HOH 10 22 22 HOH HOH A . Q 6 HOH 11 26 26 HOH HOH A . Q 6 HOH 12 28 28 HOH HOH A . Q 6 HOH 13 29 29 HOH HOH A . Q 6 HOH 14 30 30 HOH HOH A . Q 6 HOH 15 31 31 HOH HOH A . Q 6 HOH 16 36 36 HOH HOH A . Q 6 HOH 17 37 37 HOH HOH A . Q 6 HOH 18 38 38 HOH HOH A . Q 6 HOH 19 46 46 HOH HOH A . Q 6 HOH 20 49 49 HOH HOH A . Q 6 HOH 21 50 50 HOH HOH A . Q 6 HOH 22 52 52 HOH HOH A . Q 6 HOH 23 53 53 HOH HOH A . Q 6 HOH 24 56 56 HOH HOH A . Q 6 HOH 25 57 57 HOH HOH A . Q 6 HOH 26 58 58 HOH HOH A . Q 6 HOH 27 60 60 HOH HOH A . Q 6 HOH 28 61 61 HOH HOH A . Q 6 HOH 29 65 65 HOH HOH A . Q 6 HOH 30 66 66 HOH HOH A . Q 6 HOH 31 69 69 HOH HOH A . Q 6 HOH 32 70 70 HOH HOH A . Q 6 HOH 33 71 71 HOH HOH A . Q 6 HOH 34 73 73 HOH HOH A . Q 6 HOH 35 79 79 HOH HOH A . Q 6 HOH 36 80 80 HOH HOH A . Q 6 HOH 37 81 81 HOH HOH A . Q 6 HOH 38 307 307 HOH HOH A . Q 6 HOH 39 386 386 HOH HOH A . Q 6 HOH 40 473 473 HOH HOH A . Q 6 HOH 41 474 474 HOH HOH A . Q 6 HOH 42 475 475 HOH HOH A . Q 6 HOH 43 476 476 HOH HOH A . Q 6 HOH 44 477 477 HOH HOH A . Q 6 HOH 45 478 478 HOH HOH A . Q 6 HOH 46 479 479 HOH HOH A . Q 6 HOH 47 480 480 HOH HOH A . Q 6 HOH 48 481 481 HOH HOH A . Q 6 HOH 49 482 482 HOH HOH A . Q 6 HOH 50 483 483 HOH HOH A . Q 6 HOH 51 484 484 HOH HOH A . Q 6 HOH 52 485 485 HOH HOH A . Q 6 HOH 53 486 486 HOH HOH A . Q 6 HOH 54 487 487 HOH HOH A . Q 6 HOH 55 488 488 HOH HOH A . Q 6 HOH 56 489 489 HOH HOH A . Q 6 HOH 57 490 490 HOH HOH A . Q 6 HOH 58 491 491 HOH HOH A . Q 6 HOH 59 492 492 HOH HOH A . Q 6 HOH 60 493 493 HOH HOH A . Q 6 HOH 61 494 494 HOH HOH A . Q 6 HOH 62 495 495 HOH HOH A . Q 6 HOH 63 496 496 HOH HOH A . Q 6 HOH 64 497 497 HOH HOH A . Q 6 HOH 65 498 498 HOH HOH A . Q 6 HOH 66 499 499 HOH HOH A . Q 6 HOH 67 500 500 HOH HOH A . Q 6 HOH 68 501 501 HOH HOH A . Q 6 HOH 69 502 502 HOH HOH A . Q 6 HOH 70 503 575 HOH HOH A . Q 6 HOH 71 504 504 HOH HOH A . Q 6 HOH 72 505 505 HOH HOH A . Q 6 HOH 73 506 506 HOH HOH A . Q 6 HOH 74 507 507 HOH HOH A . Q 6 HOH 75 508 508 HOH HOH A . Q 6 HOH 76 509 509 HOH HOH A . Q 6 HOH 77 510 510 HOH HOH A . Q 6 HOH 78 511 511 HOH HOH A . Q 6 HOH 79 512 512 HOH HOH A . Q 6 HOH 80 513 513 HOH HOH A . Q 6 HOH 81 514 514 HOH HOH A . Q 6 HOH 82 515 515 HOH HOH A . Q 6 HOH 83 516 516 HOH HOH A . Q 6 HOH 84 517 517 HOH HOH A . Q 6 HOH 85 518 518 HOH HOH A . Q 6 HOH 86 519 519 HOH HOH A . Q 6 HOH 87 520 520 HOH HOH A . Q 6 HOH 88 521 521 HOH HOH A . Q 6 HOH 89 522 522 HOH HOH A . Q 6 HOH 90 523 523 HOH HOH A . Q 6 HOH 91 524 524 HOH HOH A . Q 6 HOH 92 525 525 HOH HOH A . Q 6 HOH 93 526 526 HOH HOH A . Q 6 HOH 94 527 527 HOH HOH A . Q 6 HOH 95 528 528 HOH HOH A . Q 6 HOH 96 529 529 HOH HOH A . Q 6 HOH 97 530 530 HOH HOH A . Q 6 HOH 98 531 531 HOH HOH A . Q 6 HOH 99 532 532 HOH HOH A . Q 6 HOH 100 533 533 HOH HOH A . Q 6 HOH 101 534 534 HOH HOH A . Q 6 HOH 102 535 535 HOH HOH A . Q 6 HOH 103 536 536 HOH HOH A . Q 6 HOH 104 537 537 HOH HOH A . Q 6 HOH 105 538 538 HOH HOH A . Q 6 HOH 106 539 539 HOH HOH A . Q 6 HOH 107 540 540 HOH HOH A . Q 6 HOH 108 541 541 HOH HOH A . Q 6 HOH 109 542 542 HOH HOH A . Q 6 HOH 110 543 543 HOH HOH A . Q 6 HOH 111 544 544 HOH HOH A . Q 6 HOH 112 545 545 HOH HOH A . Q 6 HOH 113 546 546 HOH HOH A . Q 6 HOH 114 547 547 HOH HOH A . Q 6 HOH 115 548 548 HOH HOH A . Q 6 HOH 116 549 549 HOH HOH A . Q 6 HOH 117 550 550 HOH HOH A . Q 6 HOH 118 551 551 HOH HOH A . Q 6 HOH 119 552 552 HOH HOH A . Q 6 HOH 120 553 553 HOH HOH A . Q 6 HOH 121 554 554 HOH HOH A . Q 6 HOH 122 555 555 HOH HOH A . Q 6 HOH 123 556 556 HOH HOH A . Q 6 HOH 124 557 557 HOH HOH A . Q 6 HOH 125 558 558 HOH HOH A . Q 6 HOH 126 559 559 HOH HOH A . Q 6 HOH 127 560 560 HOH HOH A . Q 6 HOH 128 561 561 HOH HOH A . Q 6 HOH 129 562 562 HOH HOH A . Q 6 HOH 130 563 563 HOH HOH A . Q 6 HOH 131 564 564 HOH HOH A . Q 6 HOH 132 565 565 HOH HOH A . Q 6 HOH 133 566 566 HOH HOH A . Q 6 HOH 134 567 567 HOH HOH A . Q 6 HOH 135 568 568 HOH HOH A . Q 6 HOH 136 569 569 HOH HOH A . Q 6 HOH 137 570 570 HOH HOH A . Q 6 HOH 138 571 571 HOH HOH A . Q 6 HOH 139 572 572 HOH HOH A . Q 6 HOH 140 573 573 HOH HOH A . Q 6 HOH 141 574 574 HOH HOH A . Q 6 HOH 142 575 575 HOH HOH A . Q 6 HOH 143 576 576 HOH HOH A . Q 6 HOH 144 577 577 HOH HOH A . Q 6 HOH 145 578 578 HOH HOH A . Q 6 HOH 146 579 579 HOH HOH A . Q 6 HOH 147 580 580 HOH HOH A . Q 6 HOH 148 581 581 HOH HOH A . Q 6 HOH 149 582 582 HOH HOH A . Q 6 HOH 150 583 583 HOH HOH A . Q 6 HOH 151 584 584 HOH HOH A . Q 6 HOH 152 585 585 HOH HOH A . Q 6 HOH 153 586 586 HOH HOH A . Q 6 HOH 154 587 587 HOH HOH A . Q 6 HOH 155 588 588 HOH HOH A . Q 6 HOH 156 589 589 HOH HOH A . Q 6 HOH 157 590 590 HOH HOH A . Q 6 HOH 158 591 591 HOH HOH A . Q 6 HOH 159 592 592 HOH HOH A . Q 6 HOH 160 593 593 HOH HOH A . Q 6 HOH 161 594 594 HOH HOH A . Q 6 HOH 162 595 595 HOH HOH A . Q 6 HOH 163 596 596 HOH HOH A . Q 6 HOH 164 597 597 HOH HOH A . Q 6 HOH 165 598 598 HOH HOH A . Q 6 HOH 166 599 599 HOH HOH A . Q 6 HOH 167 600 600 HOH HOH A . Q 6 HOH 168 602 602 HOH HOH A . Q 6 HOH 169 603 603 HOH HOH A . Q 6 HOH 170 604 604 HOH HOH A . Q 6 HOH 171 605 605 HOH HOH A . Q 6 HOH 172 606 606 HOH HOH A . Q 6 HOH 173 607 607 HOH HOH A . Q 6 HOH 174 608 608 HOH HOH A . Q 6 HOH 175 609 609 HOH HOH A . Q 6 HOH 176 610 610 HOH HOH A . Q 6 HOH 177 611 611 HOH HOH A . Q 6 HOH 178 612 612 HOH HOH A . Q 6 HOH 179 613 613 HOH HOH A . Q 6 HOH 180 614 614 HOH HOH A . Q 6 HOH 181 615 615 HOH HOH A . Q 6 HOH 182 616 616 HOH HOH A . Q 6 HOH 183 617 617 HOH HOH A . Q 6 HOH 184 618 618 HOH HOH A . Q 6 HOH 185 619 619 HOH HOH A . Q 6 HOH 186 620 620 HOH HOH A . Q 6 HOH 187 621 621 HOH HOH A . Q 6 HOH 188 622 622 HOH HOH A . Q 6 HOH 189 623 623 HOH HOH A . Q 6 HOH 190 624 624 HOH HOH A . Q 6 HOH 191 625 625 HOH HOH A . Q 6 HOH 192 626 626 HOH HOH A . Q 6 HOH 193 627 627 HOH HOH A . Q 6 HOH 194 628 628 HOH HOH A . Q 6 HOH 195 629 629 HOH HOH A . Q 6 HOH 196 630 630 HOH HOH A . Q 6 HOH 197 631 631 HOH HOH A . Q 6 HOH 198 632 632 HOH HOH A . Q 6 HOH 199 633 633 HOH HOH A . Q 6 HOH 200 634 634 HOH HOH A . Q 6 HOH 201 635 635 HOH HOH A . Q 6 HOH 202 636 636 HOH HOH A . Q 6 HOH 203 637 637 HOH HOH A . Q 6 HOH 204 638 638 HOH HOH A . Q 6 HOH 205 639 639 HOH HOH A . Q 6 HOH 206 640 640 HOH HOH A . Q 6 HOH 207 641 641 HOH HOH A . Q 6 HOH 208 642 642 HOH HOH A . Q 6 HOH 209 643 643 HOH HOH A . Q 6 HOH 210 644 644 HOH HOH A . Q 6 HOH 211 645 645 HOH HOH A . Q 6 HOH 212 646 646 HOH HOH A . Q 6 HOH 213 647 647 HOH HOH A . Q 6 HOH 214 648 648 HOH HOH A . Q 6 HOH 215 649 649 HOH HOH A . Q 6 HOH 216 650 650 HOH HOH A . Q 6 HOH 217 651 651 HOH HOH A . Q 6 HOH 218 652 652 HOH HOH A . Q 6 HOH 219 653 653 HOH HOH A . Q 6 HOH 220 654 654 HOH HOH A . Q 6 HOH 221 655 655 HOH HOH A . Q 6 HOH 222 656 656 HOH HOH A . Q 6 HOH 223 657 657 HOH HOH A . Q 6 HOH 224 658 658 HOH HOH A . Q 6 HOH 225 659 659 HOH HOH A . Q 6 HOH 226 660 660 HOH HOH A . Q 6 HOH 227 661 661 HOH HOH A . Q 6 HOH 228 662 662 HOH HOH A . Q 6 HOH 229 663 663 HOH HOH A . Q 6 HOH 230 664 664 HOH HOH A . Q 6 HOH 231 665 665 HOH HOH A . Q 6 HOH 232 666 666 HOH HOH A . Q 6 HOH 233 667 667 HOH HOH A . Q 6 HOH 234 668 668 HOH HOH A . Q 6 HOH 235 669 669 HOH HOH A . Q 6 HOH 236 670 670 HOH HOH A . Q 6 HOH 237 671 671 HOH HOH A . Q 6 HOH 238 672 672 HOH HOH A . Q 6 HOH 239 673 673 HOH HOH A . Q 6 HOH 240 674 674 HOH HOH A . Q 6 HOH 241 675 675 HOH HOH A . Q 6 HOH 242 676 676 HOH HOH A . Q 6 HOH 243 677 677 HOH HOH A . Q 6 HOH 244 678 678 HOH HOH A . Q 6 HOH 245 679 679 HOH HOH A . Q 6 HOH 246 680 680 HOH HOH A . Q 6 HOH 247 681 681 HOH HOH A . Q 6 HOH 248 682 682 HOH HOH A . Q 6 HOH 249 683 683 HOH HOH A . Q 6 HOH 250 684 684 HOH HOH A . Q 6 HOH 251 685 685 HOH HOH A . Q 6 HOH 252 686 686 HOH HOH A . Q 6 HOH 253 687 687 HOH HOH A . Q 6 HOH 254 688 688 HOH HOH A . Q 6 HOH 255 689 689 HOH HOH A . Q 6 HOH 256 690 690 HOH HOH A . Q 6 HOH 257 691 691 HOH HOH A . Q 6 HOH 258 692 692 HOH HOH A . Q 6 HOH 259 693 693 HOH HOH A . Q 6 HOH 260 694 694 HOH HOH A . Q 6 HOH 261 695 695 HOH HOH A . Q 6 HOH 262 696 696 HOH HOH A . Q 6 HOH 263 697 697 HOH HOH A . Q 6 HOH 264 698 698 HOH HOH A . Q 6 HOH 265 699 699 HOH HOH A . Q 6 HOH 266 700 700 HOH HOH A . Q 6 HOH 267 701 701 HOH HOH A . Q 6 HOH 268 702 702 HOH HOH A . Q 6 HOH 269 703 703 HOH HOH A . Q 6 HOH 270 704 704 HOH HOH A . Q 6 HOH 271 705 705 HOH HOH A . Q 6 HOH 272 706 706 HOH HOH A . Q 6 HOH 273 707 707 HOH HOH A . Q 6 HOH 274 708 708 HOH HOH A . Q 6 HOH 275 709 709 HOH HOH A . Q 6 HOH 276 710 710 HOH HOH A . Q 6 HOH 277 711 711 HOH HOH A . Q 6 HOH 278 712 712 HOH HOH A . Q 6 HOH 279 713 713 HOH HOH A . Q 6 HOH 280 714 714 HOH HOH A . Q 6 HOH 281 715 715 HOH HOH A . Q 6 HOH 282 716 754 HOH HOH A . Q 6 HOH 283 717 717 HOH HOH A . Q 6 HOH 284 718 718 HOH HOH A . Q 6 HOH 285 719 719 HOH HOH A . Q 6 HOH 286 720 720 HOH HOH A . Q 6 HOH 287 721 721 HOH HOH A . Q 6 HOH 288 722 722 HOH HOH A . Q 6 HOH 289 723 723 HOH HOH A . Q 6 HOH 290 724 724 HOH HOH A . Q 6 HOH 291 725 725 HOH HOH A . Q 6 HOH 292 726 726 HOH HOH A . Q 6 HOH 293 727 727 HOH HOH A . Q 6 HOH 294 728 728 HOH HOH A . Q 6 HOH 295 729 729 HOH HOH A . Q 6 HOH 296 730 730 HOH HOH A . Q 6 HOH 297 731 731 HOH HOH A . Q 6 HOH 298 732 732 HOH HOH A . Q 6 HOH 299 733 733 HOH HOH A . Q 6 HOH 300 734 734 HOH HOH A . Q 6 HOH 301 735 735 HOH HOH A . Q 6 HOH 302 736 736 HOH HOH A . Q 6 HOH 303 737 737 HOH HOH A . Q 6 HOH 304 738 738 HOH HOH A . Q 6 HOH 305 739 739 HOH HOH A . Q 6 HOH 306 740 740 HOH HOH A . Q 6 HOH 307 741 741 HOH HOH A . Q 6 HOH 308 742 742 HOH HOH A . Q 6 HOH 309 743 743 HOH HOH A . Q 6 HOH 310 744 744 HOH HOH A . Q 6 HOH 311 745 745 HOH HOH A . Q 6 HOH 312 746 746 HOH HOH A . Q 6 HOH 313 747 747 HOH HOH A . Q 6 HOH 314 748 748 HOH HOH A . Q 6 HOH 315 749 749 HOH HOH A . Q 6 HOH 316 750 750 HOH HOH A . Q 6 HOH 317 751 751 HOH HOH A . Q 6 HOH 318 752 752 HOH HOH A . Q 6 HOH 319 753 753 HOH HOH A . Q 6 HOH 320 754 754 HOH HOH A . Q 6 HOH 321 755 755 HOH HOH A . Q 6 HOH 322 756 756 HOH HOH A . Q 6 HOH 323 757 757 HOH HOH A . Q 6 HOH 324 758 758 HOH HOH A . Q 6 HOH 325 759 759 HOH HOH A . Q 6 HOH 326 760 760 HOH HOH A . Q 6 HOH 327 761 761 HOH HOH A . Q 6 HOH 328 762 762 HOH HOH A . Q 6 HOH 329 763 763 HOH HOH A . Q 6 HOH 330 764 764 HOH HOH A . Q 6 HOH 331 765 765 HOH HOH A . Q 6 HOH 332 766 766 HOH HOH A . Q 6 HOH 333 767 767 HOH HOH A . Q 6 HOH 334 768 768 HOH HOH A . Q 6 HOH 335 769 769 HOH HOH A . Q 6 HOH 336 770 770 HOH HOH A . Q 6 HOH 337 771 771 HOH HOH A . Q 6 HOH 338 772 772 HOH HOH A . Q 6 HOH 339 773 773 HOH HOH A . Q 6 HOH 340 774 774 HOH HOH A . Q 6 HOH 341 775 775 HOH HOH A . Q 6 HOH 342 776 776 HOH HOH A . Q 6 HOH 343 777 777 HOH HOH A . Q 6 HOH 344 778 778 HOH HOH A . Q 6 HOH 345 779 779 HOH HOH A . Q 6 HOH 346 780 780 HOH HOH A . Q 6 HOH 347 781 781 HOH HOH A . Q 6 HOH 348 782 782 HOH HOH A . Q 6 HOH 349 783 783 HOH HOH A . Q 6 HOH 350 784 784 HOH HOH A . Q 6 HOH 351 785 785 HOH HOH A . Q 6 HOH 352 786 786 HOH HOH A . Q 6 HOH 353 787 787 HOH HOH A . Q 6 HOH 354 788 788 HOH HOH A . Q 6 HOH 355 789 789 HOH HOH A . Q 6 HOH 356 790 790 HOH HOH A . Q 6 HOH 357 791 791 HOH HOH A . Q 6 HOH 358 792 792 HOH HOH A . Q 6 HOH 359 793 793 HOH HOH A . Q 6 HOH 360 794 794 HOH HOH A . Q 6 HOH 361 795 795 HOH HOH A . Q 6 HOH 362 796 796 HOH HOH A . Q 6 HOH 363 797 797 HOH HOH A . Q 6 HOH 364 798 798 HOH HOH A . Q 6 HOH 365 799 799 HOH HOH A . Q 6 HOH 366 800 800 HOH HOH A . Q 6 HOH 367 804 804 HOH HOH A . Q 6 HOH 368 805 805 HOH HOH A . Q 6 HOH 369 806 806 HOH HOH A . Q 6 HOH 370 807 807 HOH HOH A . Q 6 HOH 371 808 808 HOH HOH A . Q 6 HOH 372 809 809 HOH HOH A . Q 6 HOH 373 810 810 HOH HOH A . Q 6 HOH 374 811 811 HOH HOH A . Q 6 HOH 375 812 812 HOH HOH A . Q 6 HOH 376 813 813 HOH HOH A . Q 6 HOH 377 814 814 HOH HOH A . Q 6 HOH 378 815 815 HOH HOH A . Q 6 HOH 379 816 816 HOH HOH A . Q 6 HOH 380 817 817 HOH HOH A . Q 6 HOH 381 818 818 HOH HOH A . Q 6 HOH 382 819 819 HOH HOH A . Q 6 HOH 383 820 820 HOH HOH A . Q 6 HOH 384 821 821 HOH HOH A . Q 6 HOH 385 822 822 HOH HOH A . Q 6 HOH 386 823 823 HOH HOH A . Q 6 HOH 387 824 824 HOH HOH A . Q 6 HOH 388 825 825 HOH HOH A . Q 6 HOH 389 826 826 HOH HOH A . Q 6 HOH 390 827 827 HOH HOH A . Q 6 HOH 391 828 828 HOH HOH A . Q 6 HOH 392 829 829 HOH HOH A . Q 6 HOH 393 830 830 HOH HOH A . Q 6 HOH 394 831 831 HOH HOH A . Q 6 HOH 395 832 832 HOH HOH A . Q 6 HOH 396 833 833 HOH HOH A . Q 6 HOH 397 834 834 HOH HOH A . Q 6 HOH 398 835 835 HOH HOH A . Q 6 HOH 399 836 836 HOH HOH A . Q 6 HOH 400 837 837 HOH HOH A . Q 6 HOH 401 838 838 HOH HOH A . Q 6 HOH 402 839 839 HOH HOH A . Q 6 HOH 403 840 840 HOH HOH A . Q 6 HOH 404 841 841 HOH HOH A . Q 6 HOH 405 842 842 HOH HOH A . Q 6 HOH 406 843 843 HOH HOH A . Q 6 HOH 407 844 844 HOH HOH A . Q 6 HOH 408 845 845 HOH HOH A . Q 6 HOH 409 846 846 HOH HOH A . Q 6 HOH 410 847 847 HOH HOH A . Q 6 HOH 411 848 848 HOH HOH A . Q 6 HOH 412 849 849 HOH HOH A . Q 6 HOH 413 850 850 HOH HOH A . Q 6 HOH 414 851 851 HOH HOH A . Q 6 HOH 415 852 852 HOH HOH A . Q 6 HOH 416 853 853 HOH HOH A . Q 6 HOH 417 854 854 HOH HOH A . Q 6 HOH 418 855 855 HOH HOH A . Q 6 HOH 419 856 856 HOH HOH A . Q 6 HOH 420 857 857 HOH HOH A . Q 6 HOH 421 858 858 HOH HOH A . Q 6 HOH 422 859 859 HOH HOH A . Q 6 HOH 423 860 860 HOH HOH A . Q 6 HOH 424 861 861 HOH HOH A . Q 6 HOH 425 862 862 HOH HOH A . Q 6 HOH 426 863 863 HOH HOH A . Q 6 HOH 427 864 864 HOH HOH A . Q 6 HOH 428 865 865 HOH HOH A . Q 6 HOH 429 866 866 HOH HOH A . Q 6 HOH 430 868 868 HOH HOH A . Q 6 HOH 431 869 869 HOH HOH A . Q 6 HOH 432 870 870 HOH HOH A . Q 6 HOH 433 871 871 HOH HOH A . Q 6 HOH 434 872 872 HOH HOH A . Q 6 HOH 435 873 873 HOH HOH A . Q 6 HOH 436 874 874 HOH HOH A . Q 6 HOH 437 875 875 HOH HOH A . Q 6 HOH 438 876 876 HOH HOH A . Q 6 HOH 439 877 877 HOH HOH A . Q 6 HOH 440 878 878 HOH HOH A . Q 6 HOH 441 879 879 HOH HOH A . Q 6 HOH 442 881 881 HOH HOH A . Q 6 HOH 443 882 882 HOH HOH A . Q 6 HOH 444 883 883 HOH HOH A . Q 6 HOH 445 884 884 HOH HOH A . Q 6 HOH 446 885 885 HOH HOH A . Q 6 HOH 447 886 886 HOH HOH A . Q 6 HOH 448 887 887 HOH HOH A . Q 6 HOH 449 889 889 HOH HOH A . Q 6 HOH 450 890 890 HOH HOH A . Q 6 HOH 451 891 891 HOH HOH A . Q 6 HOH 452 892 892 HOH HOH A . Q 6 HOH 453 893 893 HOH HOH A . Q 6 HOH 454 894 894 HOH HOH A . Q 6 HOH 455 895 895 HOH HOH A . Q 6 HOH 456 896 896 HOH HOH A . Q 6 HOH 457 903 903 HOH HOH A . Q 6 HOH 458 909 909 HOH HOH A . Q 6 HOH 459 916 916 HOH HOH A . Q 6 HOH 460 917 917 HOH HOH A . Q 6 HOH 461 919 919 HOH HOH A . Q 6 HOH 462 920 920 HOH HOH A . Q 6 HOH 463 921 921 HOH HOH A . Q 6 HOH 464 926 926 HOH HOH A . Q 6 HOH 465 927 927 HOH HOH A . Q 6 HOH 466 930 930 HOH HOH A . Q 6 HOH 467 933 933 HOH HOH A . Q 6 HOH 468 934 934 HOH HOH A . Q 6 HOH 469 935 935 HOH HOH A . Q 6 HOH 470 937 937 HOH HOH A . Q 6 HOH 471 938 938 HOH HOH A . Q 6 HOH 472 939 939 HOH HOH A . Q 6 HOH 473 941 941 HOH HOH A . Q 6 HOH 474 942 942 HOH HOH A . Q 6 HOH 475 948 948 HOH HOH A . Q 6 HOH 476 950 950 HOH HOH A . Q 6 HOH 477 954 954 HOH HOH A . Q 6 HOH 478 956 956 HOH HOH A . Q 6 HOH 479 958 958 HOH HOH A . Q 6 HOH 480 961 961 HOH HOH A . Q 6 HOH 481 962 962 HOH HOH A . Q 6 HOH 482 964 964 HOH HOH A . Q 6 HOH 483 965 965 HOH HOH A . Q 6 HOH 484 970 970 HOH HOH A . Q 6 HOH 485 977 977 HOH HOH A . Q 6 HOH 486 979 979 HOH HOH A . Q 6 HOH 487 980 980 HOH HOH A . Q 6 HOH 488 985 985 HOH HOH A . Q 6 HOH 489 986 986 HOH HOH A . Q 6 HOH 490 987 987 HOH HOH A . Q 6 HOH 491 995 995 HOH HOH A . Q 6 HOH 492 996 996 HOH HOH A . Q 6 HOH 493 997 997 HOH HOH A . Q 6 HOH 494 1000 1000 HOH HOH A . Q 6 HOH 495 1001 1001 HOH HOH A . Q 6 HOH 496 1002 1002 HOH HOH A . Q 6 HOH 497 1003 1003 HOH HOH A . Q 6 HOH 498 1005 1005 HOH HOH A . Q 6 HOH 499 1006 1006 HOH HOH A . Q 6 HOH 500 1007 1007 HOH HOH A . Q 6 HOH 501 1008 1008 HOH HOH A . Q 6 HOH 502 1014 1014 HOH HOH A . Q 6 HOH 503 1015 1015 HOH HOH A . Q 6 HOH 504 1017 1017 HOH HOH A . Q 6 HOH 505 1018 1018 HOH HOH A . Q 6 HOH 506 1021 1021 HOH HOH A . Q 6 HOH 507 1023 1023 HOH HOH A . Q 6 HOH 508 1027 1027 HOH HOH A . Q 6 HOH 509 1028 1028 HOH HOH A . Q 6 HOH 510 1029 1029 HOH HOH A . Q 6 HOH 511 1030 1030 HOH HOH A . Q 6 HOH 512 1035 1035 HOH HOH A . Q 6 HOH 513 1036 1036 HOH HOH A . Q 6 HOH 514 1037 1037 HOH HOH A . Q 6 HOH 515 1038 1038 HOH HOH A . Q 6 HOH 516 1043 1043 HOH HOH A . Q 6 HOH 517 1048 1048 HOH HOH A . Q 6 HOH 518 1049 1049 HOH HOH A . Q 6 HOH 519 1058 1058 HOH HOH A . Q 6 HOH 520 1059 1059 HOH HOH A . Q 6 HOH 521 1061 1061 HOH HOH A . Q 6 HOH 522 1063 1063 HOH HOH A . Q 6 HOH 523 1066 1066 HOH HOH A . Q 6 HOH 524 1070 1070 HOH HOH A . Q 6 HOH 525 1071 1071 HOH HOH A . Q 6 HOH 526 1073 1073 HOH HOH A . Q 6 HOH 527 1074 1074 HOH HOH A . Q 6 HOH 528 1075 1075 HOH HOH A . Q 6 HOH 529 1081 1081 HOH HOH A . Q 6 HOH 530 1082 1082 HOH HOH A . Q 6 HOH 531 1085 1085 HOH HOH A . Q 6 HOH 532 1090 1090 HOH HOH A . Q 6 HOH 533 1091 1091 HOH HOH A . Q 6 HOH 534 1093 1093 HOH HOH A . Q 6 HOH 535 1099 1099 HOH HOH A . Q 6 HOH 536 1100 1100 HOH HOH A . Q 6 HOH 537 1101 1101 HOH HOH A . Q 6 HOH 538 1102 1102 HOH HOH A . Q 6 HOH 539 1103 1103 HOH HOH A . Q 6 HOH 540 1106 1106 HOH HOH A . Q 6 HOH 541 1108 1108 HOH HOH A . Q 6 HOH 542 1110 1110 HOH HOH A . Q 6 HOH 543 1111 1111 HOH HOH A . Q 6 HOH 544 1114 1114 HOH HOH A . Q 6 HOH 545 1115 1115 HOH HOH A . Q 6 HOH 546 1116 1116 HOH HOH A . Q 6 HOH 547 1123 1123 HOH HOH A . Q 6 HOH 548 1127 1127 HOH HOH A . Q 6 HOH 549 1129 1129 HOH HOH A . Q 6 HOH 550 1132 1132 HOH HOH A . Q 6 HOH 551 1134 1134 HOH HOH A . Q 6 HOH 552 1135 1135 HOH HOH A . Q 6 HOH 553 1137 1137 HOH HOH A . Q 6 HOH 554 1138 1138 HOH HOH A . R 6 HOH 1 2 2 HOH HOH B . R 6 HOH 2 3 3 HOH HOH B . R 6 HOH 3 6 6 HOH HOH B . R 6 HOH 4 7 7 HOH HOH B . R 6 HOH 5 8 8 HOH HOH B . R 6 HOH 6 9 9 HOH HOH B . R 6 HOH 7 10 10 HOH HOH B . R 6 HOH 8 11 11 HOH HOH B . R 6 HOH 9 16 16 HOH HOH B . R 6 HOH 10 17 17 HOH HOH B . R 6 HOH 11 21 21 HOH HOH B . R 6 HOH 12 23 23 HOH HOH B . R 6 HOH 13 24 24 HOH HOH B . R 6 HOH 14 25 25 HOH HOH B . R 6 HOH 15 27 27 HOH HOH B . R 6 HOH 16 32 32 HOH HOH B . R 6 HOH 17 33 33 HOH HOH B . R 6 HOH 18 34 34 HOH HOH B . R 6 HOH 19 35 35 HOH HOH B . R 6 HOH 20 39 39 HOH HOH B . R 6 HOH 21 40 40 HOH HOH B . R 6 HOH 22 41 41 HOH HOH B . R 6 HOH 23 42 42 HOH HOH B . R 6 HOH 24 43 43 HOH HOH B . R 6 HOH 25 44 44 HOH HOH B . R 6 HOH 26 45 45 HOH HOH B . R 6 HOH 27 47 47 HOH HOH B . R 6 HOH 28 48 48 HOH HOH B . R 6 HOH 29 51 51 HOH HOH B . R 6 HOH 30 54 54 HOH HOH B . R 6 HOH 31 55 55 HOH HOH B . R 6 HOH 32 59 59 HOH HOH B . R 6 HOH 33 62 62 HOH HOH B . R 6 HOH 34 63 63 HOH HOH B . R 6 HOH 35 64 64 HOH HOH B . R 6 HOH 36 67 67 HOH HOH B . R 6 HOH 37 68 68 HOH HOH B . R 6 HOH 38 72 72 HOH HOH B . R 6 HOH 39 74 74 HOH HOH B . R 6 HOH 40 75 75 HOH HOH B . R 6 HOH 41 76 76 HOH HOH B . R 6 HOH 42 77 77 HOH HOH B . R 6 HOH 43 78 78 HOH HOH B . R 6 HOH 44 473 473 HOH HOH B . R 6 HOH 45 474 474 HOH HOH B . R 6 HOH 46 475 475 HOH HOH B . R 6 HOH 47 476 476 HOH HOH B . R 6 HOH 48 477 477 HOH HOH B . R 6 HOH 49 478 478 HOH HOH B . R 6 HOH 50 479 479 HOH HOH B . R 6 HOH 51 480 480 HOH HOH B . R 6 HOH 52 481 481 HOH HOH B . R 6 HOH 53 482 482 HOH HOH B . R 6 HOH 54 483 483 HOH HOH B . R 6 HOH 55 484 484 HOH HOH B . R 6 HOH 56 485 485 HOH HOH B . R 6 HOH 57 486 486 HOH HOH B . R 6 HOH 58 487 487 HOH HOH B . R 6 HOH 59 488 488 HOH HOH B . R 6 HOH 60 489 489 HOH HOH B . R 6 HOH 61 490 490 HOH HOH B . R 6 HOH 62 491 491 HOH HOH B . R 6 HOH 63 492 492 HOH HOH B . R 6 HOH 64 493 493 HOH HOH B . R 6 HOH 65 494 494 HOH HOH B . R 6 HOH 66 495 495 HOH HOH B . R 6 HOH 67 496 496 HOH HOH B . R 6 HOH 68 497 497 HOH HOH B . R 6 HOH 69 498 498 HOH HOH B . R 6 HOH 70 499 499 HOH HOH B . R 6 HOH 71 500 500 HOH HOH B . R 6 HOH 72 501 501 HOH HOH B . R 6 HOH 73 502 502 HOH HOH B . R 6 HOH 74 503 503 HOH HOH B . R 6 HOH 75 504 504 HOH HOH B . R 6 HOH 76 505 505 HOH HOH B . R 6 HOH 77 506 506 HOH HOH B . R 6 HOH 78 507 507 HOH HOH B . R 6 HOH 79 508 508 HOH HOH B . R 6 HOH 80 509 509 HOH HOH B . R 6 HOH 81 510 510 HOH HOH B . R 6 HOH 82 511 511 HOH HOH B . R 6 HOH 83 512 512 HOH HOH B . R 6 HOH 84 513 513 HOH HOH B . R 6 HOH 85 514 514 HOH HOH B . R 6 HOH 86 516 516 HOH HOH B . R 6 HOH 87 517 517 HOH HOH B . R 6 HOH 88 518 518 HOH HOH B . R 6 HOH 89 519 519 HOH HOH B . R 6 HOH 90 520 520 HOH HOH B . R 6 HOH 91 521 521 HOH HOH B . R 6 HOH 92 522 522 HOH HOH B . R 6 HOH 93 523 523 HOH HOH B . R 6 HOH 94 524 524 HOH HOH B . R 6 HOH 95 525 525 HOH HOH B . R 6 HOH 96 526 526 HOH HOH B . R 6 HOH 97 527 527 HOH HOH B . R 6 HOH 98 528 528 HOH HOH B . R 6 HOH 99 529 529 HOH HOH B . R 6 HOH 100 530 530 HOH HOH B . R 6 HOH 101 531 531 HOH HOH B . R 6 HOH 102 532 532 HOH HOH B . R 6 HOH 103 533 533 HOH HOH B . R 6 HOH 104 534 534 HOH HOH B . R 6 HOH 105 535 535 HOH HOH B . R 6 HOH 106 536 536 HOH HOH B . R 6 HOH 107 537 537 HOH HOH B . R 6 HOH 108 538 538 HOH HOH B . R 6 HOH 109 539 539 HOH HOH B . R 6 HOH 110 540 540 HOH HOH B . R 6 HOH 111 541 541 HOH HOH B . R 6 HOH 112 542 542 HOH HOH B . R 6 HOH 113 543 543 HOH HOH B . R 6 HOH 114 544 544 HOH HOH B . R 6 HOH 115 545 545 HOH HOH B . R 6 HOH 116 546 546 HOH HOH B . R 6 HOH 117 547 547 HOH HOH B . R 6 HOH 118 548 548 HOH HOH B . R 6 HOH 119 549 549 HOH HOH B . R 6 HOH 120 550 550 HOH HOH B . R 6 HOH 121 551 551 HOH HOH B . R 6 HOH 122 552 552 HOH HOH B . R 6 HOH 123 553 553 HOH HOH B . R 6 HOH 124 554 554 HOH HOH B . R 6 HOH 125 555 555 HOH HOH B . R 6 HOH 126 556 556 HOH HOH B . R 6 HOH 127 557 557 HOH HOH B . R 6 HOH 128 558 558 HOH HOH B . R 6 HOH 129 559 559 HOH HOH B . R 6 HOH 130 560 560 HOH HOH B . R 6 HOH 131 561 561 HOH HOH B . R 6 HOH 132 562 562 HOH HOH B . R 6 HOH 133 563 563 HOH HOH B . R 6 HOH 134 564 564 HOH HOH B . R 6 HOH 135 565 565 HOH HOH B . R 6 HOH 136 566 566 HOH HOH B . R 6 HOH 137 567 567 HOH HOH B . R 6 HOH 138 568 568 HOH HOH B . R 6 HOH 139 569 569 HOH HOH B . R 6 HOH 140 570 570 HOH HOH B . R 6 HOH 141 571 571 HOH HOH B . R 6 HOH 142 572 572 HOH HOH B . R 6 HOH 143 573 573 HOH HOH B . R 6 HOH 144 574 574 HOH HOH B . R 6 HOH 145 576 576 HOH HOH B . R 6 HOH 146 577 577 HOH HOH B . R 6 HOH 147 578 578 HOH HOH B . R 6 HOH 148 579 579 HOH HOH B . R 6 HOH 149 580 580 HOH HOH B . R 6 HOH 150 581 581 HOH HOH B . R 6 HOH 151 582 582 HOH HOH B . R 6 HOH 152 583 583 HOH HOH B . R 6 HOH 153 584 584 HOH HOH B . R 6 HOH 154 585 585 HOH HOH B . R 6 HOH 155 586 586 HOH HOH B . R 6 HOH 156 587 587 HOH HOH B . R 6 HOH 157 588 588 HOH HOH B . R 6 HOH 158 589 589 HOH HOH B . R 6 HOH 159 590 590 HOH HOH B . R 6 HOH 160 591 591 HOH HOH B . R 6 HOH 161 592 592 HOH HOH B . R 6 HOH 162 593 593 HOH HOH B . R 6 HOH 163 594 594 HOH HOH B . R 6 HOH 164 595 595 HOH HOH B . R 6 HOH 165 596 596 HOH HOH B . R 6 HOH 166 597 597 HOH HOH B . R 6 HOH 167 598 598 HOH HOH B . R 6 HOH 168 599 599 HOH HOH B . R 6 HOH 169 600 600 HOH HOH B . R 6 HOH 170 602 602 HOH HOH B . R 6 HOH 171 603 603 HOH HOH B . R 6 HOH 172 604 604 HOH HOH B . R 6 HOH 173 605 605 HOH HOH B . R 6 HOH 174 606 606 HOH HOH B . R 6 HOH 175 607 607 HOH HOH B . R 6 HOH 176 608 608 HOH HOH B . R 6 HOH 177 609 609 HOH HOH B . R 6 HOH 178 610 610 HOH HOH B . R 6 HOH 179 611 611 HOH HOH B . R 6 HOH 180 612 612 HOH HOH B . R 6 HOH 181 613 613 HOH HOH B . R 6 HOH 182 614 614 HOH HOH B . R 6 HOH 183 615 615 HOH HOH B . R 6 HOH 184 616 616 HOH HOH B . R 6 HOH 185 617 617 HOH HOH B . R 6 HOH 186 618 618 HOH HOH B . R 6 HOH 187 619 619 HOH HOH B . R 6 HOH 188 620 620 HOH HOH B . R 6 HOH 189 621 621 HOH HOH B . R 6 HOH 190 622 622 HOH HOH B . R 6 HOH 191 623 623 HOH HOH B . R 6 HOH 192 624 624 HOH HOH B . R 6 HOH 193 625 625 HOH HOH B . R 6 HOH 194 626 626 HOH HOH B . R 6 HOH 195 627 627 HOH HOH B . R 6 HOH 196 628 628 HOH HOH B . R 6 HOH 197 629 629 HOH HOH B . R 6 HOH 198 630 630 HOH HOH B . R 6 HOH 199 631 631 HOH HOH B . R 6 HOH 200 632 632 HOH HOH B . R 6 HOH 201 633 633 HOH HOH B . R 6 HOH 202 634 634 HOH HOH B . R 6 HOH 203 635 635 HOH HOH B . R 6 HOH 204 636 636 HOH HOH B . R 6 HOH 205 637 637 HOH HOH B . R 6 HOH 206 638 638 HOH HOH B . R 6 HOH 207 639 639 HOH HOH B . R 6 HOH 208 640 640 HOH HOH B . R 6 HOH 209 641 641 HOH HOH B . R 6 HOH 210 642 642 HOH HOH B . R 6 HOH 211 643 643 HOH HOH B . R 6 HOH 212 644 644 HOH HOH B . R 6 HOH 213 645 645 HOH HOH B . R 6 HOH 214 646 646 HOH HOH B . R 6 HOH 215 647 647 HOH HOH B . R 6 HOH 216 648 648 HOH HOH B . R 6 HOH 217 649 649 HOH HOH B . R 6 HOH 218 650 650 HOH HOH B . R 6 HOH 219 651 651 HOH HOH B . R 6 HOH 220 652 652 HOH HOH B . R 6 HOH 221 653 653 HOH HOH B . R 6 HOH 222 654 654 HOH HOH B . R 6 HOH 223 655 655 HOH HOH B . R 6 HOH 224 656 656 HOH HOH B . R 6 HOH 225 657 657 HOH HOH B . R 6 HOH 226 658 658 HOH HOH B . R 6 HOH 227 659 659 HOH HOH B . R 6 HOH 228 660 660 HOH HOH B . R 6 HOH 229 661 661 HOH HOH B . R 6 HOH 230 662 662 HOH HOH B . R 6 HOH 231 663 663 HOH HOH B . R 6 HOH 232 664 664 HOH HOH B . R 6 HOH 233 665 665 HOH HOH B . R 6 HOH 234 666 666 HOH HOH B . R 6 HOH 235 667 667 HOH HOH B . R 6 HOH 236 668 668 HOH HOH B . R 6 HOH 237 669 669 HOH HOH B . R 6 HOH 238 670 670 HOH HOH B . R 6 HOH 239 671 671 HOH HOH B . R 6 HOH 240 672 672 HOH HOH B . R 6 HOH 241 673 673 HOH HOH B . R 6 HOH 242 674 674 HOH HOH B . R 6 HOH 243 675 675 HOH HOH B . R 6 HOH 244 676 676 HOH HOH B . R 6 HOH 245 677 677 HOH HOH B . R 6 HOH 246 678 678 HOH HOH B . R 6 HOH 247 679 679 HOH HOH B . R 6 HOH 248 680 680 HOH HOH B . R 6 HOH 249 681 681 HOH HOH B . R 6 HOH 250 682 682 HOH HOH B . R 6 HOH 251 683 683 HOH HOH B . R 6 HOH 252 684 684 HOH HOH B . R 6 HOH 253 685 685 HOH HOH B . R 6 HOH 254 686 686 HOH HOH B . R 6 HOH 255 687 687 HOH HOH B . R 6 HOH 256 688 688 HOH HOH B . R 6 HOH 257 689 689 HOH HOH B . R 6 HOH 258 690 690 HOH HOH B . R 6 HOH 259 691 691 HOH HOH B . R 6 HOH 260 692 692 HOH HOH B . R 6 HOH 261 693 693 HOH HOH B . R 6 HOH 262 694 694 HOH HOH B . R 6 HOH 263 695 695 HOH HOH B . R 6 HOH 264 696 696 HOH HOH B . R 6 HOH 265 697 697 HOH HOH B . R 6 HOH 266 698 698 HOH HOH B . R 6 HOH 267 699 699 HOH HOH B . R 6 HOH 268 700 700 HOH HOH B . R 6 HOH 269 701 701 HOH HOH B . R 6 HOH 270 702 702 HOH HOH B . R 6 HOH 271 703 703 HOH HOH B . R 6 HOH 272 704 704 HOH HOH B . R 6 HOH 273 705 705 HOH HOH B . R 6 HOH 274 706 706 HOH HOH B . R 6 HOH 275 707 707 HOH HOH B . R 6 HOH 276 708 708 HOH HOH B . R 6 HOH 277 709 709 HOH HOH B . R 6 HOH 278 710 710 HOH HOH B . R 6 HOH 279 711 711 HOH HOH B . R 6 HOH 280 712 712 HOH HOH B . R 6 HOH 281 713 713 HOH HOH B . R 6 HOH 282 714 714 HOH HOH B . R 6 HOH 283 715 715 HOH HOH B . R 6 HOH 284 716 716 HOH HOH B . R 6 HOH 285 717 717 HOH HOH B . R 6 HOH 286 718 718 HOH HOH B . R 6 HOH 287 719 719 HOH HOH B . R 6 HOH 288 720 720 HOH HOH B . R 6 HOH 289 721 721 HOH HOH B . R 6 HOH 290 722 722 HOH HOH B . R 6 HOH 291 723 723 HOH HOH B . R 6 HOH 292 724 724 HOH HOH B . R 6 HOH 293 725 725 HOH HOH B . R 6 HOH 294 726 726 HOH HOH B . R 6 HOH 295 727 727 HOH HOH B . R 6 HOH 296 728 728 HOH HOH B . R 6 HOH 297 729 729 HOH HOH B . R 6 HOH 298 730 730 HOH HOH B . R 6 HOH 299 731 731 HOH HOH B . R 6 HOH 300 732 732 HOH HOH B . R 6 HOH 301 733 733 HOH HOH B . R 6 HOH 302 734 734 HOH HOH B . R 6 HOH 303 735 735 HOH HOH B . R 6 HOH 304 736 736 HOH HOH B . R 6 HOH 305 737 737 HOH HOH B . R 6 HOH 306 738 738 HOH HOH B . R 6 HOH 307 739 739 HOH HOH B . R 6 HOH 308 740 740 HOH HOH B . R 6 HOH 309 741 741 HOH HOH B . R 6 HOH 310 742 742 HOH HOH B . R 6 HOH 311 743 743 HOH HOH B . R 6 HOH 312 744 744 HOH HOH B . R 6 HOH 313 745 745 HOH HOH B . R 6 HOH 314 746 746 HOH HOH B . R 6 HOH 315 747 747 HOH HOH B . R 6 HOH 316 748 748 HOH HOH B . R 6 HOH 317 749 749 HOH HOH B . R 6 HOH 318 750 750 HOH HOH B . R 6 HOH 319 751 751 HOH HOH B . R 6 HOH 320 752 752 HOH HOH B . R 6 HOH 321 753 753 HOH HOH B . R 6 HOH 322 755 755 HOH HOH B . R 6 HOH 323 756 756 HOH HOH B . R 6 HOH 324 757 757 HOH HOH B . R 6 HOH 325 758 758 HOH HOH B . R 6 HOH 326 759 759 HOH HOH B . R 6 HOH 327 760 760 HOH HOH B . R 6 HOH 328 761 761 HOH HOH B . R 6 HOH 329 762 762 HOH HOH B . R 6 HOH 330 763 763 HOH HOH B . R 6 HOH 331 764 764 HOH HOH B . R 6 HOH 332 765 765 HOH HOH B . R 6 HOH 333 766 766 HOH HOH B . R 6 HOH 334 767 767 HOH HOH B . R 6 HOH 335 768 768 HOH HOH B . R 6 HOH 336 769 769 HOH HOH B . R 6 HOH 337 770 770 HOH HOH B . R 6 HOH 338 771 771 HOH HOH B . R 6 HOH 339 772 772 HOH HOH B . R 6 HOH 340 773 773 HOH HOH B . R 6 HOH 341 774 774 HOH HOH B . R 6 HOH 342 775 775 HOH HOH B . R 6 HOH 343 776 776 HOH HOH B . R 6 HOH 344 777 777 HOH HOH B . R 6 HOH 345 778 778 HOH HOH B . R 6 HOH 346 779 779 HOH HOH B . R 6 HOH 347 780 780 HOH HOH B . R 6 HOH 348 781 781 HOH HOH B . R 6 HOH 349 782 782 HOH HOH B . R 6 HOH 350 783 783 HOH HOH B . R 6 HOH 351 784 784 HOH HOH B . R 6 HOH 352 785 785 HOH HOH B . R 6 HOH 353 786 786 HOH HOH B . R 6 HOH 354 787 787 HOH HOH B . R 6 HOH 355 788 788 HOH HOH B . R 6 HOH 356 789 789 HOH HOH B . R 6 HOH 357 790 790 HOH HOH B . R 6 HOH 358 791 791 HOH HOH B . R 6 HOH 359 792 792 HOH HOH B . R 6 HOH 360 793 793 HOH HOH B . R 6 HOH 361 794 794 HOH HOH B . R 6 HOH 362 795 795 HOH HOH B . R 6 HOH 363 796 796 HOH HOH B . R 6 HOH 364 797 797 HOH HOH B . R 6 HOH 365 798 798 HOH HOH B . R 6 HOH 366 799 799 HOH HOH B . R 6 HOH 367 800 800 HOH HOH B . R 6 HOH 368 807 807 HOH HOH B . R 6 HOH 369 808 808 HOH HOH B . R 6 HOH 370 809 809 HOH HOH B . R 6 HOH 371 810 810 HOH HOH B . R 6 HOH 372 811 811 HOH HOH B . R 6 HOH 373 812 812 HOH HOH B . R 6 HOH 374 813 813 HOH HOH B . R 6 HOH 375 814 814 HOH HOH B . R 6 HOH 376 815 815 HOH HOH B . R 6 HOH 377 816 816 HOH HOH B . R 6 HOH 378 817 817 HOH HOH B . R 6 HOH 379 818 818 HOH HOH B . R 6 HOH 380 819 819 HOH HOH B . R 6 HOH 381 820 820 HOH HOH B . R 6 HOH 382 821 821 HOH HOH B . R 6 HOH 383 822 822 HOH HOH B . R 6 HOH 384 823 823 HOH HOH B . R 6 HOH 385 824 824 HOH HOH B . R 6 HOH 386 825 825 HOH HOH B . R 6 HOH 387 826 826 HOH HOH B . R 6 HOH 388 827 827 HOH HOH B . R 6 HOH 389 828 828 HOH HOH B . R 6 HOH 390 829 829 HOH HOH B . R 6 HOH 391 830 830 HOH HOH B . R 6 HOH 392 831 831 HOH HOH B . R 6 HOH 393 832 832 HOH HOH B . R 6 HOH 394 833 833 HOH HOH B . R 6 HOH 395 834 834 HOH HOH B . R 6 HOH 396 835 835 HOH HOH B . R 6 HOH 397 836 836 HOH HOH B . R 6 HOH 398 838 838 HOH HOH B . R 6 HOH 399 839 839 HOH HOH B . R 6 HOH 400 840 840 HOH HOH B . R 6 HOH 401 841 841 HOH HOH B . R 6 HOH 402 842 842 HOH HOH B . R 6 HOH 403 843 843 HOH HOH B . R 6 HOH 404 844 844 HOH HOH B . R 6 HOH 405 845 845 HOH HOH B . R 6 HOH 406 846 846 HOH HOH B . R 6 HOH 407 847 847 HOH HOH B . R 6 HOH 408 848 848 HOH HOH B . R 6 HOH 409 849 849 HOH HOH B . R 6 HOH 410 850 850 HOH HOH B . R 6 HOH 411 851 851 HOH HOH B . R 6 HOH 412 852 852 HOH HOH B . R 6 HOH 413 853 853 HOH HOH B . R 6 HOH 414 854 854 HOH HOH B . R 6 HOH 415 857 857 HOH HOH B . R 6 HOH 416 858 858 HOH HOH B . R 6 HOH 417 860 860 HOH HOH B . R 6 HOH 418 863 863 HOH HOH B . R 6 HOH 419 864 864 HOH HOH B . R 6 HOH 420 867 867 HOH HOH B . R 6 HOH 421 868 868 HOH HOH B . R 6 HOH 422 869 869 HOH HOH B . R 6 HOH 423 873 873 HOH HOH B . R 6 HOH 424 876 876 HOH HOH B . R 6 HOH 425 877 877 HOH HOH B . R 6 HOH 426 881 881 HOH HOH B . R 6 HOH 427 883 883 HOH HOH B . R 6 HOH 428 885 885 HOH HOH B . R 6 HOH 429 887 887 HOH HOH B . R 6 HOH 430 889 889 HOH HOH B . R 6 HOH 431 890 890 HOH HOH B . R 6 HOH 432 892 892 HOH HOH B . R 6 HOH 433 894 894 HOH HOH B . R 6 HOH 434 895 895 HOH HOH B . R 6 HOH 435 896 896 HOH HOH B . R 6 HOH 436 897 897 HOH HOH B . R 6 HOH 437 898 898 HOH HOH B . R 6 HOH 438 899 899 HOH HOH B . R 6 HOH 439 902 902 HOH HOH B . R 6 HOH 440 904 904 HOH HOH B . R 6 HOH 441 905 905 HOH HOH B . R 6 HOH 442 907 907 HOH HOH B . R 6 HOH 443 908 908 HOH HOH B . R 6 HOH 444 910 910 HOH HOH B . R 6 HOH 445 911 911 HOH HOH B . R 6 HOH 446 912 912 HOH HOH B . R 6 HOH 447 913 913 HOH HOH B . R 6 HOH 448 914 914 HOH HOH B . R 6 HOH 449 915 915 HOH HOH B . R 6 HOH 450 918 918 HOH HOH B . R 6 HOH 451 922 922 HOH HOH B . R 6 HOH 452 923 923 HOH HOH B . R 6 HOH 453 924 924 HOH HOH B . R 6 HOH 454 925 925 HOH HOH B . R 6 HOH 455 928 928 HOH HOH B . R 6 HOH 456 929 929 HOH HOH B . R 6 HOH 457 936 936 HOH HOH B . R 6 HOH 458 940 940 HOH HOH B . R 6 HOH 459 943 943 HOH HOH B . R 6 HOH 460 945 945 HOH HOH B . R 6 HOH 461 947 947 HOH HOH B . R 6 HOH 462 949 949 HOH HOH B . R 6 HOH 463 952 952 HOH HOH B . R 6 HOH 464 953 953 HOH HOH B . R 6 HOH 465 955 955 HOH HOH B . R 6 HOH 466 957 957 HOH HOH B . R 6 HOH 467 959 959 HOH HOH B . R 6 HOH 468 960 960 HOH HOH B . R 6 HOH 469 966 966 HOH HOH B . R 6 HOH 470 967 967 HOH HOH B . R 6 HOH 471 968 968 HOH HOH B . R 6 HOH 472 971 971 HOH HOH B . R 6 HOH 473 972 972 HOH HOH B . R 6 HOH 474 973 973 HOH HOH B . R 6 HOH 475 974 974 HOH HOH B . R 6 HOH 476 978 978 HOH HOH B . R 6 HOH 477 981 981 HOH HOH B . R 6 HOH 478 982 982 HOH HOH B . R 6 HOH 479 983 983 HOH HOH B . R 6 HOH 480 984 984 HOH HOH B . R 6 HOH 481 988 988 HOH HOH B . R 6 HOH 482 989 989 HOH HOH B . R 6 HOH 483 990 990 HOH HOH B . R 6 HOH 484 991 991 HOH HOH B . R 6 HOH 485 992 992 HOH HOH B . R 6 HOH 486 993 993 HOH HOH B . R 6 HOH 487 998 998 HOH HOH B . R 6 HOH 488 999 999 HOH HOH B . R 6 HOH 489 1004 1004 HOH HOH B . R 6 HOH 490 1009 1009 HOH HOH B . R 6 HOH 491 1011 1011 HOH HOH B . R 6 HOH 492 1012 1012 HOH HOH B . R 6 HOH 493 1013 1013 HOH HOH B . R 6 HOH 494 1016 1016 HOH HOH B . R 6 HOH 495 1019 1019 HOH HOH B . R 6 HOH 496 1020 1020 HOH HOH B . R 6 HOH 497 1024 1024 HOH HOH B . R 6 HOH 498 1025 1025 HOH HOH B . R 6 HOH 499 1026 1026 HOH HOH B . R 6 HOH 500 1031 1031 HOH HOH B . R 6 HOH 501 1032 1032 HOH HOH B . R 6 HOH 502 1034 1034 HOH HOH B . R 6 HOH 503 1039 1039 HOH HOH B . R 6 HOH 504 1044 1044 HOH HOH B . R 6 HOH 505 1045 1045 HOH HOH B . R 6 HOH 506 1046 1046 HOH HOH B . R 6 HOH 507 1050 1050 HOH HOH B . R 6 HOH 508 1052 1052 HOH HOH B . R 6 HOH 509 1053 1053 HOH HOH B . R 6 HOH 510 1054 1054 HOH HOH B . R 6 HOH 511 1055 1055 HOH HOH B . R 6 HOH 512 1056 1056 HOH HOH B . R 6 HOH 513 1057 1057 HOH HOH B . R 6 HOH 514 1062 1062 HOH HOH B . R 6 HOH 515 1064 1064 HOH HOH B . R 6 HOH 516 1065 1065 HOH HOH B . R 6 HOH 517 1067 1067 HOH HOH B . R 6 HOH 518 1068 1068 HOH HOH B . R 6 HOH 519 1069 1069 HOH HOH B . R 6 HOH 520 1072 1072 HOH HOH B . R 6 HOH 521 1076 1076 HOH HOH B . R 6 HOH 522 1077 1077 HOH HOH B . R 6 HOH 523 1079 1079 HOH HOH B . R 6 HOH 524 1080 1080 HOH HOH B . R 6 HOH 525 1083 1083 HOH HOH B . R 6 HOH 526 1086 1086 HOH HOH B . R 6 HOH 527 1087 1087 HOH HOH B . R 6 HOH 528 1089 1089 HOH HOH B . R 6 HOH 529 1092 1092 HOH HOH B . R 6 HOH 530 1094 1094 HOH HOH B . R 6 HOH 531 1095 1095 HOH HOH B . R 6 HOH 532 1096 1096 HOH HOH B . R 6 HOH 533 1097 1097 HOH HOH B . R 6 HOH 534 1098 1098 HOH HOH B . R 6 HOH 535 1104 1104 HOH HOH B . R 6 HOH 536 1105 1105 HOH HOH B . R 6 HOH 537 1107 1107 HOH HOH B . R 6 HOH 538 1113 1113 HOH HOH B . R 6 HOH 539 1118 1118 HOH HOH B . R 6 HOH 540 1119 1119 HOH HOH B . R 6 HOH 541 1120 1120 HOH HOH B . R 6 HOH 542 1121 1121 HOH HOH B . R 6 HOH 543 1124 1124 HOH HOH B . R 6 HOH 544 1126 1126 HOH HOH B . R 6 HOH 545 1128 1128 HOH HOH B . R 6 HOH 546 1131 1131 HOH HOH B . R 6 HOH 547 1133 1133 HOH HOH B . R 6 HOH 548 1136 1136 HOH HOH B . #