data_3VLA # _entry.id 3VLA # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3VLA RCSB RCSB095186 WWPDB D_1000095186 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3VL8 . unspecified PDB 3VL9 . unspecified PDB 3VLB . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3VLA _pdbx_database_status.recvd_initial_deposition_date 2011-11-30 _pdbx_database_status.deposit_site PDBJ _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.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yoshizawa, T.' 1 'Shimizu, T.' 2 'Hirano, H.' 3 'Sato, M.' 4 'Hashimoto, H.' 5 # _citation.id primary _citation.title 'Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor' _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 287 _citation.page_first 18710 _citation.page_last 18716 _citation.year 2012 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22496365 _citation.pdbx_database_id_DOI 10.1074/jbc.M112.350520 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yoshizawa, T.' 1 primary 'Shimizu, T.' 2 primary 'Hirano, H.' 3 primary 'Sato, M.' 4 primary 'Hashimoto, H.' 5 # _cell.entry_id 3VLA _cell.length_a 130.102 _cell.length_b 130.102 _cell.length_c 44.544 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _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 3VLA _symmetry.space_group_name_H-M 'P 62' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 171 _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 EDGP 43643.188 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 water nat water 18.015 672 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;(PCA)PSFRPSALVVPVKKDASTLQYVTTINQRTPLVSENLVVDLGGRFLWVDCDQNYVSSTYRPVRCRTSQCSLSGSIA CGDCFNGPRPGCNNNTCGVFPENPVINTATGGEVAEDVVSVESTDGSSSGRVVTVPRFIFSCAPTSLLQNLASGVVGMAG LGRTRIALPSQFASAFSFKRKFAMCLSGSTSSNSVIIFGNDPYTFLPNIIVSDKTLTYTPLLTNPVSTSATSTQGEPSVE YFIGVKSIKINSKIVALNTSLLSISSAGLGGTKISTINPYTVLETSIYKAVTEAFIKESAARNITRVASVAPFGACFSTD NILSTRLGPSVPSIDLVLQSESVVWTITGSNSMVYINDNVVCLGVVDGGSNLRTSIVIGGHQLEDNLVQFDLATSRVGFS GTLLGSRTTCANFNFTS ; _entity_poly.pdbx_seq_one_letter_code_can ;EPSFRPSALVVPVKKDASTLQYVTTINQRTPLVSENLVVDLGGRFLWVDCDQNYVSSTYRPVRCRTSQCSLSGSIACGDC FNGPRPGCNNNTCGVFPENPVINTATGGEVAEDVVSVESTDGSSSGRVVTVPRFIFSCAPTSLLQNLASGVVGMAGLGRT RIALPSQFASAFSFKRKFAMCLSGSTSSNSVIIFGNDPYTFLPNIIVSDKTLTYTPLLTNPVSTSATSTQGEPSVEYFIG VKSIKINSKIVALNTSLLSISSAGLGGTKISTINPYTVLETSIYKAVTEAFIKESAARNITRVASVAPFGACFSTDNILS TRLGPSVPSIDLVLQSESVVWTITGSNSMVYINDNVVCLGVVDGGSNLRTSIVIGGHQLEDNLVQFDLATSRVGFSGTLL GSRTTCANFNFTS ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PCA n 1 2 PRO n 1 3 SER n 1 4 PHE n 1 5 ARG n 1 6 PRO n 1 7 SER n 1 8 ALA n 1 9 LEU n 1 10 VAL n 1 11 VAL n 1 12 PRO n 1 13 VAL n 1 14 LYS n 1 15 LYS n 1 16 ASP n 1 17 ALA n 1 18 SER n 1 19 THR n 1 20 LEU n 1 21 GLN n 1 22 TYR n 1 23 VAL n 1 24 THR n 1 25 THR n 1 26 ILE n 1 27 ASN n 1 28 GLN n 1 29 ARG n 1 30 THR n 1 31 PRO n 1 32 LEU n 1 33 VAL n 1 34 SER n 1 35 GLU n 1 36 ASN n 1 37 LEU n 1 38 VAL n 1 39 VAL n 1 40 ASP n 1 41 LEU n 1 42 GLY n 1 43 GLY n 1 44 ARG n 1 45 PHE n 1 46 LEU n 1 47 TRP n 1 48 VAL n 1 49 ASP n 1 50 CYS n 1 51 ASP n 1 52 GLN n 1 53 ASN n 1 54 TYR n 1 55 VAL n 1 56 SER n 1 57 SER n 1 58 THR n 1 59 TYR n 1 60 ARG n 1 61 PRO n 1 62 VAL n 1 63 ARG n 1 64 CYS n 1 65 ARG n 1 66 THR n 1 67 SER n 1 68 GLN n 1 69 CYS n 1 70 SER n 1 71 LEU n 1 72 SER n 1 73 GLY n 1 74 SER n 1 75 ILE n 1 76 ALA n 1 77 CYS n 1 78 GLY n 1 79 ASP n 1 80 CYS n 1 81 PHE n 1 82 ASN n 1 83 GLY n 1 84 PRO n 1 85 ARG n 1 86 PRO n 1 87 GLY n 1 88 CYS n 1 89 ASN n 1 90 ASN n 1 91 ASN n 1 92 THR n 1 93 CYS n 1 94 GLY n 1 95 VAL n 1 96 PHE n 1 97 PRO n 1 98 GLU n 1 99 ASN n 1 100 PRO n 1 101 VAL n 1 102 ILE n 1 103 ASN n 1 104 THR n 1 105 ALA n 1 106 THR n 1 107 GLY n 1 108 GLY n 1 109 GLU n 1 110 VAL n 1 111 ALA n 1 112 GLU n 1 113 ASP n 1 114 VAL n 1 115 VAL n 1 116 SER n 1 117 VAL n 1 118 GLU n 1 119 SER n 1 120 THR n 1 121 ASP n 1 122 GLY n 1 123 SER n 1 124 SER n 1 125 SER n 1 126 GLY n 1 127 ARG n 1 128 VAL n 1 129 VAL n 1 130 THR n 1 131 VAL n 1 132 PRO n 1 133 ARG n 1 134 PHE n 1 135 ILE n 1 136 PHE n 1 137 SER n 1 138 CYS n 1 139 ALA n 1 140 PRO n 1 141 THR n 1 142 SER n 1 143 LEU n 1 144 LEU n 1 145 GLN n 1 146 ASN n 1 147 LEU n 1 148 ALA n 1 149 SER n 1 150 GLY n 1 151 VAL n 1 152 VAL n 1 153 GLY n 1 154 MET n 1 155 ALA n 1 156 GLY n 1 157 LEU n 1 158 GLY n 1 159 ARG n 1 160 THR n 1 161 ARG n 1 162 ILE n 1 163 ALA n 1 164 LEU n 1 165 PRO n 1 166 SER n 1 167 GLN n 1 168 PHE n 1 169 ALA n 1 170 SER n 1 171 ALA n 1 172 PHE n 1 173 SER n 1 174 PHE n 1 175 LYS n 1 176 ARG n 1 177 LYS n 1 178 PHE n 1 179 ALA n 1 180 MET n 1 181 CYS n 1 182 LEU n 1 183 SER n 1 184 GLY n 1 185 SER n 1 186 THR n 1 187 SER n 1 188 SER n 1 189 ASN n 1 190 SER n 1 191 VAL n 1 192 ILE n 1 193 ILE n 1 194 PHE n 1 195 GLY n 1 196 ASN n 1 197 ASP n 1 198 PRO n 1 199 TYR n 1 200 THR n 1 201 PHE n 1 202 LEU n 1 203 PRO n 1 204 ASN n 1 205 ILE n 1 206 ILE n 1 207 VAL n 1 208 SER n 1 209 ASP n 1 210 LYS n 1 211 THR n 1 212 LEU n 1 213 THR n 1 214 TYR n 1 215 THR n 1 216 PRO n 1 217 LEU n 1 218 LEU n 1 219 THR n 1 220 ASN n 1 221 PRO n 1 222 VAL n 1 223 SER n 1 224 THR n 1 225 SER n 1 226 ALA n 1 227 THR n 1 228 SER n 1 229 THR n 1 230 GLN n 1 231 GLY n 1 232 GLU n 1 233 PRO n 1 234 SER n 1 235 VAL n 1 236 GLU n 1 237 TYR n 1 238 PHE n 1 239 ILE n 1 240 GLY n 1 241 VAL n 1 242 LYS n 1 243 SER n 1 244 ILE n 1 245 LYS n 1 246 ILE n 1 247 ASN n 1 248 SER n 1 249 LYS n 1 250 ILE n 1 251 VAL n 1 252 ALA n 1 253 LEU n 1 254 ASN n 1 255 THR n 1 256 SER n 1 257 LEU n 1 258 LEU n 1 259 SER n 1 260 ILE n 1 261 SER n 1 262 SER n 1 263 ALA n 1 264 GLY n 1 265 LEU n 1 266 GLY n 1 267 GLY n 1 268 THR n 1 269 LYS n 1 270 ILE n 1 271 SER n 1 272 THR n 1 273 ILE n 1 274 ASN n 1 275 PRO n 1 276 TYR n 1 277 THR n 1 278 VAL n 1 279 LEU n 1 280 GLU n 1 281 THR n 1 282 SER n 1 283 ILE n 1 284 TYR n 1 285 LYS n 1 286 ALA n 1 287 VAL n 1 288 THR n 1 289 GLU n 1 290 ALA n 1 291 PHE n 1 292 ILE n 1 293 LYS n 1 294 GLU n 1 295 SER n 1 296 ALA n 1 297 ALA n 1 298 ARG n 1 299 ASN n 1 300 ILE n 1 301 THR n 1 302 ARG n 1 303 VAL n 1 304 ALA n 1 305 SER n 1 306 VAL n 1 307 ALA n 1 308 PRO n 1 309 PHE n 1 310 GLY n 1 311 ALA n 1 312 CYS n 1 313 PHE n 1 314 SER n 1 315 THR n 1 316 ASP n 1 317 ASN n 1 318 ILE n 1 319 LEU n 1 320 SER n 1 321 THR n 1 322 ARG n 1 323 LEU n 1 324 GLY n 1 325 PRO n 1 326 SER n 1 327 VAL n 1 328 PRO n 1 329 SER n 1 330 ILE n 1 331 ASP n 1 332 LEU n 1 333 VAL n 1 334 LEU n 1 335 GLN n 1 336 SER n 1 337 GLU n 1 338 SER n 1 339 VAL n 1 340 VAL n 1 341 TRP n 1 342 THR n 1 343 ILE n 1 344 THR n 1 345 GLY n 1 346 SER n 1 347 ASN n 1 348 SER n 1 349 MET n 1 350 VAL n 1 351 TYR n 1 352 ILE n 1 353 ASN n 1 354 ASP n 1 355 ASN n 1 356 VAL n 1 357 VAL n 1 358 CYS n 1 359 LEU n 1 360 GLY n 1 361 VAL n 1 362 VAL n 1 363 ASP n 1 364 GLY n 1 365 GLY n 1 366 SER n 1 367 ASN n 1 368 LEU n 1 369 ARG n 1 370 THR n 1 371 SER n 1 372 ILE n 1 373 VAL n 1 374 ILE n 1 375 GLY n 1 376 GLY n 1 377 HIS n 1 378 GLN n 1 379 LEU n 1 380 GLU n 1 381 ASP n 1 382 ASN n 1 383 LEU n 1 384 VAL n 1 385 GLN n 1 386 PHE n 1 387 ASP n 1 388 LEU n 1 389 ALA n 1 390 THR n 1 391 SER n 1 392 ARG n 1 393 VAL n 1 394 GLY n 1 395 PHE n 1 396 SER n 1 397 GLY n 1 398 THR n 1 399 LEU n 1 400 LEU n 1 401 GLY n 1 402 SER n 1 403 ARG n 1 404 THR n 1 405 THR n 1 406 CYS n 1 407 ALA n 1 408 ASN n 1 409 PHE n 1 410 ASN n 1 411 PHE n 1 412 THR n 1 413 SER 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 carrot _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene EDGP1 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Daucus carota' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4039 _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 carrot _entity_src_gen.pdbx_host_org_scientific_name 'Daucus carota' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell 'carrot callus cell' _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q05929_DAUCA _struct_ref.pdbx_db_accession Q05929 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;QPSFRPSALVVPVKKDASTLQYVTTINQRTPLVSENLVVDLGGRFLWVDCDQNYVSSTYRPVRCRTSQCSLSGSIACGDC FNGPRPGCNNNTCGVFPENPVINTATGGEVAEDVVSVESTDGSSSGRVVTVPRFIFSCAPTSLLQNLASGVVGMAGLGRT RIALPSQFASAFSFKRKFAMCLSGSTSSNSVIIFGNDPYTFLPNIIVSDKTLTYTPLLTNPVSTSATSTQGEPSVEYFIG VKSIKINSKIVALNTSLLSISSAGLGGTKISTINPYTVLETSIYKAVTEAFIKESAARNITRVASVAPFGACFSTDNILS TRLGPSVPSIDLVLQSESVVWTITGSNSMVYINDNVVCLGVVDGGSNLRTSIVIGGHQLEDNLVQFDLATSRVGFSGTLL GSRTTCANFNFTS ; _struct_ref.pdbx_align_begin 21 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3VLA _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 413 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q05929 _struct_ref_seq.db_align_beg 21 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 433 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 413 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 3VLA _struct_ref_seq_dif.mon_id PCA _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 1 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code Q05929 _struct_ref_seq_dif.db_mon_id GLN _struct_ref_seq_dif.pdbx_seq_db_seq_num 21 _struct_ref_seq_dif.details 'SEE REMARK 999' _struct_ref_seq_dif.pdbx_auth_seq_num 1 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3' 129.114 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3VLA _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.49 _exptl_crystal.density_percent_sol 50.67 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2008-06-19 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.8 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL41XU' _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL41XU _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.8 # _reflns.entry_id 3VLA _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 0.92 _reflns.number_obs 272047 _reflns.number_all ? _reflns.percent_possible_obs ? _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 # _refine.entry_id 3VLA _refine.ls_number_reflns_obs 239679 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 0.95 _refine.ls_percent_reflns_obs 93.44 _refine.ls_R_factor_obs 0.12847 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.12756 _refine.ls_R_factor_R_free 0.14559 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 12706 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.980 _refine.correlation_coeff_Fo_to_Fc_free 0.974 _refine.B_iso_mean 10.163 _refine.aniso_B[1][1] 0.04 _refine.aniso_B[2][2] 0.04 _refine.aniso_B[3][3] -0.06 _refine.aniso_B[1][2] 0.02 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MIR _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.017 _refine.pdbx_overall_ESU_R_Free 0.018 _refine.overall_SU_ML 0.011 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 0.454 _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_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 3061 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 56 _refine_hist.number_atoms_solvent 672 _refine_hist.number_atoms_total 3789 _refine_hist.d_res_high 0.95 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.016 0.020 ? 3255 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 2140 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.776 1.985 ? 4471 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.045 3.005 ? 5248 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.388 5.000 ? 443 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.265 24.035 ? 114 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 10.616 15.000 ? 508 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17.325 15.000 ? 18 'X-RAY DIFFRACTION' ? r_chiral_restr 0.121 0.200 ? 558 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.009 0.021 ? 3625 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 634 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr 3.504 3.000 ? 5394 'X-RAY DIFFRACTION' ? r_sphericity_free 19.027 5.000 ? 121 'X-RAY DIFFRACTION' ? r_sphericity_bonded 7.984 5.000 ? 5868 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 0.950 _refine_ls_shell.d_res_low 0.975 _refine_ls_shell.number_reflns_R_work 15366 _refine_ls_shell.R_factor_R_work 0.251 _refine_ls_shell.percent_reflns_obs 83.31 _refine_ls_shell.R_factor_R_free 0.261 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 842 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3VLA _struct.title 'Crystal structure of edgp' _struct.pdbx_descriptor EDGP _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3VLA _struct_keywords.pdbx_keywords 'PLANT PROTEIN' _struct_keywords.text 'extracellular, inhibitor, PLANT PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? # _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 THR A 66 ? SER A 72 ? THR A 66 SER A 72 1 ? 7 HELX_P HELX_P2 2 PRO A 140 ? GLN A 145 ? PRO A 140 GLN A 145 5 ? 6 HELX_P HELX_P3 3 ALA A 163 ? SER A 173 ? ALA A 163 SER A 173 1 ? 11 HELX_P HELX_P4 4 ASN A 254 ? LEU A 258 ? ASN A 254 LEU A 258 5 ? 5 HELX_P HELX_P5 5 THR A 281 ? ARG A 298 ? THR A 281 ARG A 298 1 ? 18 HELX_P HELX_P6 6 THR A 344 ? SER A 348 ? THR A 344 SER A 348 1 ? 5 HELX_P HELX_P7 7 GLY A 375 ? GLU A 380 ? GLY A 375 GLU A 380 1 ? 6 HELX_P HELX_P8 8 LEU A 400 ? ARG A 403 ? LEU A 400 ARG A 403 5 ? 4 HELX_P HELX_P9 9 THR A 405 ? PHE A 409 ? THR A 405 PHE A 409 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 50 SG ? ? ? 1_555 A CYS 138 SG ? ? A CYS 50 A CYS 138 1_555 ? ? ? ? ? ? ? 2.064 ? disulf2 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 77 SG ? ? A CYS 64 A CYS 77 1_555 ? ? ? ? ? ? ? 2.054 ? disulf3 disulf ? ? A CYS 69 SG ? ? ? 1_555 A CYS 93 SG ? ? A CYS 69 A CYS 93 1_555 ? ? ? ? ? ? ? 2.080 ? disulf4 disulf ? ? A CYS 80 SG ? ? ? 1_555 A CYS 88 SG ? ? A CYS 80 A CYS 88 1_555 ? ? ? ? ? ? ? 2.094 ? disulf5 disulf ? ? A CYS 181 SG ? ? ? 1_555 A CYS 406 SG ? ? A CYS 181 A CYS 406 1_555 ? ? ? ? ? ? ? 2.047 ? disulf6 disulf ? ? A CYS 312 SG ? ? ? 1_555 A CYS 358 SG ? ? A CYS 312 A CYS 358 1_555 ? ? ? ? ? ? ? 2.210 ? covale1 covale ? ? A PCA 1 C ? ? ? 1_555 A PRO 2 N ? ? A PCA 1 A PRO 2 1_555 ? ? ? ? ? ? ? 1.330 ? covale2 covale ? ? A ASN 254 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 254 A NAG 601 1_555 ? ? ? ? ? ? ? 1.429 ? covale3 covale ? ? A ASN 410 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 410 A NAG 801 1_555 ? ? ? ? ? ? ? 1.536 ? covale4 covale ? ? A ASN 299 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 299 A NAG 701 1_555 ? ? ? ? ? ? ? 1.611 ? covale5 covale ? ? A ASN 90 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 90 A NAG 501 1_555 ? ? ? ? ? ? ? 1.570 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # 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 30 A . ? THR 30 A PRO 31 A ? PRO 31 A 1 0.70 2 ASP 197 A . ? ASP 197 A PRO 198 A ? PRO 198 A 1 -2.51 3 LEU 202 A . ? LEU 202 A PRO 203 A ? PRO 203 A 1 6.25 4 ALA 307 A . ? ALA 307 A PRO 308 A ? PRO 308 A 1 9.66 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 14 ? B ? 6 ? C ? 8 ? D ? 2 ? E ? 2 ? F ? 5 ? G ? 4 ? H ? 4 ? I ? 2 ? # 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 A 4 5 ? parallel A 5 6 ? anti-parallel A 6 7 ? parallel A 7 8 ? anti-parallel A 8 9 ? anti-parallel A 9 10 ? anti-parallel A 10 11 ? anti-parallel A 11 12 ? anti-parallel A 12 13 ? anti-parallel A 13 14 ? anti-parallel B 1 2 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel C 7 8 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? parallel F 3 4 ? anti-parallel F 4 5 ? 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 # 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 ALA A 76 ? GLY A 78 ? ALA A 76 GLY A 78 A 2 THR A 92 ? VAL A 95 ? THR A 92 VAL A 95 A 3 GLY A 108 ? THR A 120 ? GLY A 108 THR A 120 A 4 SER A 125 ? ALA A 139 ? SER A 125 ALA A 139 A 5 LEU A 46 ? ASP A 49 ? LEU A 46 ASP A 49 A 6 GLY A 153 ? GLY A 156 ? GLY A 153 GLY A 156 A 7 VAL A 33 ? ASP A 40 ? VAL A 33 ASP A 40 A 8 TYR A 22 ? GLN A 28 ? TYR A 22 GLN A 28 A 9 ALA A 8 ? LYS A 15 ? ALA A 8 LYS A 15 A 10 SER A 190 ? GLY A 195 ? SER A 190 GLY A 195 A 11 LYS A 177 ? CYS A 181 ? LYS A 177 CYS A 181 A 12 ASN A 382 ? ASP A 387 ? ASN A 382 ASP A 387 A 13 ARG A 392 ? THR A 398 ? ARG A 392 THR A 398 A 14 THR A 213 ? PRO A 216 ? THR A 213 PRO A 216 B 1 GLY A 108 ? THR A 120 ? GLY A 108 THR A 120 B 2 ARG A 60 ? PRO A 61 ? ARG A 60 PRO A 61 B 3 TYR A 22 ? GLN A 28 ? TYR A 22 GLN A 28 B 4 ALA A 8 ? LYS A 15 ? ALA A 8 LYS A 15 B 5 GLY A 108 ? THR A 120 ? GLY A 108 THR A 120 B 6 ARG A 60 ? PRO A 61 ? ARG A 60 PRO A 61 C 1 ARG A 60 ? PRO A 61 ? ARG A 60 PRO A 61 C 2 GLY A 108 ? THR A 120 ? GLY A 108 THR A 120 C 3 ALA A 8 ? LYS A 15 ? ALA A 8 LYS A 15 C 4 SER A 190 ? GLY A 195 ? SER A 190 GLY A 195 C 5 LYS A 177 ? CYS A 181 ? LYS A 177 CYS A 181 C 6 ASN A 382 ? ASP A 387 ? ASN A 382 ASP A 387 C 7 ARG A 392 ? THR A 398 ? ARG A 392 THR A 398 C 8 THR A 213 ? PRO A 216 ? THR A 213 PRO A 216 D 1 GLU A 98 ? ASN A 99 ? GLU A 98 ASN A 99 D 2 THR A 104 ? ALA A 105 ? THR A 104 ALA A 105 E 1 TYR A 199 ? PHE A 201 ? TYR A 199 PHE A 201 E 2 ILE A 205 ? VAL A 207 ? ILE A 205 VAL A 207 F 1 PHE A 238 ? ILE A 239 ? PHE A 238 ILE A 239 F 2 THR A 268 ? ILE A 270 ? THR A 268 ILE A 270 F 3 ILE A 372 ? ILE A 374 ? ILE A 372 ILE A 374 F 4 THR A 277 ? GLU A 280 ? THR A 277 GLU A 280 F 5 VAL A 361 ? GLY A 365 ? VAL A 361 GLY A 365 G 1 LYS A 249 ? VAL A 251 ? LYS A 249 VAL A 251 G 2 SER A 243 ? ILE A 246 ? SER A 243 ILE A 246 G 3 ILE A 330 ? VAL A 333 ? ILE A 330 VAL A 333 G 4 VAL A 340 ? ILE A 343 ? VAL A 340 ILE A 343 H 1 ARG A 302 ? VAL A 303 ? ARG A 302 VAL A 303 H 2 CYS A 312 ? SER A 314 ? CYS A 312 SER A 314 H 3 VAL A 356 ? LEU A 359 ? VAL A 356 LEU A 359 H 4 MET A 349 ? ASN A 353 ? MET A 349 ASN A 353 I 1 SER A 320 ? THR A 321 ? SER A 320 THR A 321 I 2 GLY A 324 ? PRO A 325 ? GLY A 324 PRO A 325 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLY A 78 ? N GLY A 78 O THR A 92 ? O THR A 92 A 2 3 N CYS A 93 ? N CYS A 93 O VAL A 110 ? O VAL A 110 A 3 4 N GLU A 109 ? N GLU A 109 O CYS A 138 ? O CYS A 138 A 4 5 O SER A 137 ? O SER A 137 N LEU A 46 ? N LEU A 46 A 5 6 N TRP A 47 ? N TRP A 47 O MET A 154 ? O MET A 154 A 6 7 O ALA A 155 ? O ALA A 155 N VAL A 38 ? N VAL A 38 A 7 8 O GLU A 35 ? O GLU A 35 N ILE A 26 ? N ILE A 26 A 8 9 O VAL A 23 ? O VAL A 23 N LYS A 14 ? N LYS A 14 A 9 10 N VAL A 13 ? N VAL A 13 O SER A 190 ? O SER A 190 A 10 11 O GLY A 195 ? O GLY A 195 N LYS A 177 ? N LYS A 177 A 11 12 N PHE A 178 ? N PHE A 178 O PHE A 386 ? O PHE A 386 A 12 13 N ASP A 387 ? N ASP A 387 O ARG A 392 ? O ARG A 392 A 13 14 O VAL A 393 ? O VAL A 393 N THR A 215 ? N THR A 215 B 1 2 O GLU A 112 ? O GLU A 112 N ARG A 60 ? N ARG A 60 B 3 4 O VAL A 23 ? O VAL A 23 N LYS A 14 ? N LYS A 14 B 4 5 N VAL A 10 ? N VAL A 10 O GLU A 118 ? O GLU A 118 B 5 6 O GLU A 112 ? O GLU A 112 N ARG A 60 ? N ARG A 60 C 1 2 N ARG A 60 ? N ARG A 60 O GLU A 112 ? O GLU A 112 C 2 3 O GLU A 118 ? O GLU A 118 N VAL A 10 ? N VAL A 10 C 3 4 N VAL A 13 ? N VAL A 13 O SER A 190 ? O SER A 190 C 4 5 O GLY A 195 ? O GLY A 195 N LYS A 177 ? N LYS A 177 C 5 6 N PHE A 178 ? N PHE A 178 O PHE A 386 ? O PHE A 386 C 6 7 N ASP A 387 ? N ASP A 387 O ARG A 392 ? O ARG A 392 C 7 8 O VAL A 393 ? O VAL A 393 N THR A 215 ? N THR A 215 D 1 2 N ASN A 99 ? N ASN A 99 O THR A 104 ? O THR A 104 E 1 2 N TYR A 199 ? N TYR A 199 O VAL A 207 ? O VAL A 207 F 1 2 N ILE A 239 ? N ILE A 239 O THR A 268 ? O THR A 268 F 2 3 N LYS A 269 ? N LYS A 269 O ILE A 374 ? O ILE A 374 F 3 4 O VAL A 373 ? O VAL A 373 N VAL A 278 ? N VAL A 278 F 4 5 N LEU A 279 ? N LEU A 279 O GLY A 364 ? O GLY A 364 G 1 2 O VAL A 251 ? O VAL A 251 N ILE A 244 ? N ILE A 244 G 2 3 N LYS A 245 ? N LYS A 245 O ASP A 331 ? O ASP A 331 G 3 4 N ILE A 330 ? N ILE A 330 O ILE A 343 ? O ILE A 343 H 1 2 N VAL A 303 ? N VAL A 303 O CYS A 312 ? O CYS A 312 H 2 3 N PHE A 313 ? N PHE A 313 O VAL A 357 ? O VAL A 357 H 3 4 O CYS A 358 ? O CYS A 358 N VAL A 350 ? N VAL A 350 I 1 2 N THR A 321 ? N THR A 321 O GLY A 324 ? O GLY A 324 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 601' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 701' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 801' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 501' # 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 4 ASN A 254 ? ASN A 254 . ? 1_555 ? 2 AC1 4 SER A 256 ? SER A 256 . ? 1_555 ? 3 AC1 4 SER A 305 ? SER A 305 . ? 2_664 ? 4 AC1 4 HOH F . ? HOH A 819 . ? 1_555 ? 5 AC2 4 ASN A 299 ? ASN A 299 . ? 1_555 ? 6 AC2 4 GLU A 337 ? GLU A 337 . ? 3_565 ? 7 AC2 4 HOH F . ? HOH A 655 . ? 1_555 ? 8 AC2 4 HOH F . ? HOH A 885 . ? 3_565 ? 9 AC3 2 SER A 124 ? SER A 124 . ? 1_555 ? 10 AC3 2 ASN A 410 ? ASN A 410 . ? 1_555 ? 11 AC4 5 CYS A 80 ? CYS A 80 . ? 1_555 ? 12 AC4 5 ASN A 82 ? ASN A 82 . ? 1_555 ? 13 AC4 5 PRO A 84 ? PRO A 84 . ? 1_555 ? 14 AC4 5 ASN A 90 ? ASN A 90 . ? 1_555 ? 15 AC4 5 HOH F . ? HOH A 608 . ? 1_555 ? # _database_PDB_matrix.entry_id 3VLA _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 3VLA _atom_sites.fract_transf_matrix[1][1] 0.007686 _atom_sites.fract_transf_matrix[1][2] 0.004438 _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] 0.008875 _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] 0.022450 _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 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 HETATM 1 N N . PCA A 1 1 ? -26.240 10.809 -3.644 1.00 21.70 ? 1 PCA A N 1 HETATM 2 C CA . PCA A 1 1 ? -26.458 11.455 -4.905 1.00 17.41 ? 1 PCA A CA 1 HETATM 3 C CB . PCA A 1 1 ? -27.156 12.775 -4.496 1.00 23.62 ? 1 PCA A CB 1 HETATM 4 C CG . PCA A 1 1 ? -26.805 12.995 -3.028 1.00 24.69 ? 1 PCA A CG 1 HETATM 5 C CD . PCA A 1 1 ? -26.392 11.604 -2.586 1.00 23.12 ? 1 PCA A CD 1 HETATM 6 O OE . PCA A 1 1 ? -26.186 11.297 -1.393 1.00 22.84 ? 1 PCA A OE 1 HETATM 7 C C . PCA A 1 1 ? -25.100 11.777 -5.462 1.00 15.17 ? 1 PCA A C 1 HETATM 8 O O . PCA A 1 1 ? -24.132 11.894 -4.687 1.00 17.42 ? 1 PCA A O 1 ATOM 9 N N . PRO A 1 2 ? -24.924 12.044 -6.753 1.00 13.42 ? 2 PRO A N 1 ATOM 10 C CA . PRO A 1 2 ? -23.623 12.571 -7.225 1.00 13.60 ? 2 PRO A CA 1 ATOM 11 C C . PRO A 1 2 ? -23.451 13.984 -6.783 1.00 12.66 ? 2 PRO A C 1 ATOM 12 O O . PRO A 1 2 ? -24.392 14.757 -6.759 1.00 16.97 ? 2 PRO A O 1 ATOM 13 C CB . PRO A 1 2 ? -23.723 12.477 -8.739 1.00 15.71 ? 2 PRO A CB 1 ATOM 14 C CG . PRO A 1 2 ? -25.110 12.096 -9.065 1.00 18.40 ? 2 PRO A CG 1 ATOM 15 C CD . PRO A 1 2 ? -25.890 11.777 -7.840 1.00 15.17 ? 2 PRO A CD 1 ATOM 16 N N . SER A 1 3 ? -22.237 14.328 -6.421 1.00 11.18 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? -21.862 15.669 -6.052 1.00 11.34 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? -20.923 16.214 -7.143 1.00 9.76 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? -19.778 15.777 -7.228 1.00 10.68 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? -21.070 15.625 -4.732 1.00 13.78 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? -21.844 15.294 -3.588 1.00 19.88 ? 3 SER A OG 1 ATOM 22 N N . PHE A 1 4 ? -21.430 17.093 -7.990 1.00 9.01 ? 4 PHE A N 1 ATOM 23 C CA . PHE A 1 4 ? -20.630 17.615 -9.081 1.00 8.31 ? 4 PHE A CA 1 ATOM 24 C C . PHE A 1 4 ? -19.648 18.637 -8.553 1.00 8.78 ? 4 PHE A C 1 ATOM 25 O O . PHE A 1 4 ? -19.974 19.456 -7.685 1.00 9.90 ? 4 PHE A O 1 ATOM 26 C CB . PHE A 1 4 ? -21.507 18.237 -10.153 1.00 8.49 ? 4 PHE A CB 1 ATOM 27 C CG . PHE A 1 4 ? -22.401 17.264 -10.894 1.00 8.04 ? 4 PHE A CG 1 ATOM 28 C CD1 . PHE A 1 4 ? -22.229 15.886 -10.864 1.00 8.46 ? 4 PHE A CD1 1 ATOM 29 C CD2 . PHE A 1 4 ? -23.417 17.781 -11.697 1.00 8.16 ? 4 PHE A CD2 1 ATOM 30 C CE1 . PHE A 1 4 ? -23.061 15.044 -11.613 1.00 7.91 ? 4 PHE A CE1 1 ATOM 31 C CE2 . PHE A 1 4 ? -24.220 16.952 -12.451 1.00 8.50 ? 4 PHE A CE2 1 ATOM 32 C CZ . PHE A 1 4 ? -24.041 15.572 -12.392 1.00 7.95 ? 4 PHE A CZ 1 ATOM 33 N N . ARG A 1 5 ? -18.445 18.607 -9.095 1.00 8.61 ? 5 ARG A N 1 ATOM 34 C CA . ARG A 1 5 ? -17.474 19.645 -8.748 1.00 8.80 ? 5 ARG A CA 1 ATOM 35 C C . ARG A 1 5 ? -17.950 20.960 -9.374 1.00 8.91 ? 5 ARG A C 1 ATOM 36 O O . ARG A 1 5 ? -18.365 20.998 -10.531 1.00 10.38 ? 5 ARG A O 1 ATOM 37 C CB . ARG A 1 5 ? -16.128 19.250 -9.254 1.00 10.11 ? 5 ARG A CB 1 ATOM 38 C CG . ARG A 1 5 ? -15.647 17.902 -8.657 1.00 12.25 ? 5 ARG A CG 1 ATOM 39 C CD . ARG A 1 5 ? -14.495 17.249 -9.400 1.00 12.96 ? 5 ARG A CD 1 ATOM 40 N NE . ARG A 1 5 ? -14.231 15.877 -9.004 1.00 15.00 ? 5 ARG A NE 1 ATOM 41 C CZ . ARG A 1 5 ? -13.251 15.136 -9.516 1.00 16.13 ? 5 ARG A CZ 1 ATOM 42 N NH1 . ARG A 1 5 ? -12.407 15.640 -10.426 1.00 18.11 ? 5 ARG A NH1 1 ATOM 43 N NH2 . ARG A 1 5 ? -13.122 13.887 -9.116 1.00 18.24 ? 5 ARG A NH2 1 ATOM 44 N N . PRO A 1 6 ? -17.901 22.042 -8.618 1.00 8.68 ? 6 PRO A N 1 ATOM 45 C CA . PRO A 1 6 ? -18.311 23.337 -9.139 1.00 8.58 ? 6 PRO A CA 1 ATOM 46 C C . PRO A 1 6 ? -17.255 23.953 -10.043 1.00 7.85 ? 6 PRO A C 1 ATOM 47 O O . PRO A 1 6 ? -16.081 23.606 -9.923 1.00 8.80 ? 6 PRO A O 1 ATOM 48 C CB . PRO A 1 6 ? -18.470 24.165 -7.868 1.00 9.00 ? 6 PRO A CB 1 ATOM 49 C CG . PRO A 1 6 ? -17.390 23.600 -6.954 1.00 8.90 ? 6 PRO A CG 1 ATOM 50 C CD . PRO A 1 6 ? -17.387 22.113 -7.237 1.00 8.70 ? 6 PRO A CD 1 ATOM 51 N N . SER A 1 7 ? -17.641 24.909 -10.866 1.00 8.21 ? 7 SER A N 1 ATOM 52 C CA . SER A 1 7 ? -16.680 25.732 -11.621 1.00 9.17 ? 7 SER A CA 1 ATOM 53 C C . SER A 1 7 ? -16.421 27.085 -10.966 1.00 7.23 ? 7 SER A C 1 ATOM 54 O O . SER A 1 7 ? -15.457 27.743 -11.330 1.00 7.84 ? 7 SER A O 1 ATOM 55 C CB . SER A 1 7 ? -17.107 25.961 -13.034 1.00 13.35 ? 7 SER A CB 1 ATOM 56 O OG . SER A 1 7 ? -18.403 26.452 -13.044 1.00 19.53 ? 7 SER A OG 1 ATOM 57 N N . ALA A 1 8 ? -17.271 27.468 -10.011 1.00 6.95 ? 8 ALA A N 1 ATOM 58 C CA . ALA A 1 8 ? -17.134 28.723 -9.290 1.00 6.65 ? 8 ALA A CA 1 ATOM 59 C C . ALA A 1 8 ? -17.990 28.621 -8.030 1.00 6.25 ? 8 ALA A C 1 ATOM 60 O O . ALA A 1 8 ? -18.908 27.789 -7.944 1.00 6.85 ? 8 ALA A O 1 ATOM 61 C CB . ALA A 1 8 ? -17.597 29.911 -10.131 1.00 9.02 ? 8 ALA A CB 1 ATOM 62 N N . LEU A 1 9 ? -17.686 29.482 -7.070 1.00 6.01 ? 9 LEU A N 1 ATOM 63 C CA . LEU A 1 9 ? -18.391 29.589 -5.805 1.00 6.13 ? 9 LEU A CA 1 ATOM 64 C C . LEU A 1 9 ? -18.769 31.055 -5.575 1.00 5.69 ? 9 LEU A C 1 ATOM 65 O O . LEU A 1 9 ? -18.048 31.936 -6.010 1.00 6.80 ? 9 LEU A O 1 ATOM 66 C CB . LEU A 1 9 ? -17.500 29.188 -4.611 1.00 6.12 ? 9 LEU A CB 1 ATOM 67 C CG . LEU A 1 9 ? -16.742 27.898 -4.751 1.00 6.80 ? 9 LEU A CG 1 ATOM 68 C CD1 . LEU A 1 9 ? -15.733 27.742 -3.627 1.00 7.80 ? 9 LEU A CD1 1 ATOM 69 C CD2 . LEU A 1 9 ? -17.678 26.716 -4.823 1.00 7.68 ? 9 LEU A CD2 1 ATOM 70 N N . VAL A 1 10 ? -19.868 31.293 -4.848 1.00 6.29 ? 10 VAL A N 1 ATOM 71 C CA . VAL A 1 10 ? -20.242 32.650 -4.458 1.00 6.19 ? 10 VAL A CA 1 ATOM 72 C C . VAL A 1 10 ? -20.454 32.721 -2.983 1.00 6.04 ? 10 VAL A C 1 ATOM 73 O O . VAL A 1 10 ? -21.140 31.855 -2.406 1.00 7.12 ? 10 VAL A O 1 ATOM 74 C CB . VAL A 1 10 ? -21.461 33.141 -5.259 1.00 7.05 ? 10 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 10 ? -22.737 32.317 -5.000 1.00 7.75 ? 10 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 10 ? -21.718 34.611 -4.977 1.00 8.18 ? 10 VAL A CG2 1 ATOM 77 N N . VAL A 1 11 ? -19.884 33.734 -2.344 1.00 5.72 ? 11 VAL A N 1 ATOM 78 C CA . VAL A 1 11 ? -20.170 34.068 -0.942 1.00 5.85 ? 11 VAL A CA 1 ATOM 79 C C . VAL A 1 11 ? -20.636 35.494 -0.863 1.00 5.63 ? 11 VAL A C 1 ATOM 80 O O . VAL A 1 11 ? -20.202 36.359 -1.633 1.00 5.97 ? 11 VAL A O 1 ATOM 81 C CB . VAL A 1 11 ? -18.948 33.824 -0.019 1.00 6.09 ? 11 VAL A CB 1 ATOM 82 C CG1 . VAL A 1 11 ? -18.564 32.341 -0.033 1.00 7.56 ? 11 VAL A CG1 1 ATOM 83 C CG2 . VAL A 1 11 ? -17.776 34.715 -0.395 1.00 6.79 ? 11 VAL A CG2 1 ATOM 84 N N . PRO A 1 12 ? -21.546 35.789 0.080 1.00 5.87 ? 12 PRO A N 1 ATOM 85 C CA . PRO A 1 12 ? -22.053 37.150 0.233 1.00 5.99 ? 12 PRO A CA 1 ATOM 86 C C . PRO A 1 12 ? -21.072 37.982 1.045 1.00 6.35 ? 12 PRO A C 1 ATOM 87 O O . PRO A 1 12 ? -20.363 37.445 1.900 1.00 7.07 ? 12 PRO A O 1 ATOM 88 C CB . PRO A 1 12 ? -23.354 36.928 0.982 1.00 7.20 ? 12 PRO A CB 1 ATOM 89 C CG . PRO A 1 12 ? -23.066 35.742 1.881 1.00 7.23 ? 12 PRO A CG 1 ATOM 90 C CD . PRO A 1 12 ? -22.170 34.858 1.040 1.00 6.46 ? 12 PRO A CD 1 ATOM 91 N N . VAL A 1 13 ? -21.117 39.296 0.830 1.00 6.33 ? 13 VAL A N 1 ATOM 92 C CA . VAL A 1 13 ? -20.312 40.233 1.589 1.00 6.33 ? 13 VAL A CA 1 ATOM 93 C C . VAL A 1 13 ? -21.189 41.424 1.926 1.00 6.57 ? 13 VAL A C 1 ATOM 94 O O . VAL A 1 13 ? -21.884 41.947 1.057 1.00 8.23 ? 13 VAL A O 1 ATOM 95 C CB . VAL A 1 13 ? -19.090 40.700 0.777 1.00 7.22 ? 13 VAL A CB 1 ATOM 96 C CG1 . VAL A 1 13 ? -18.229 41.645 1.617 1.00 8.18 ? 13 VAL A CG1 1 ATOM 97 C CG2 . VAL A 1 13 ? -18.299 39.527 0.257 1.00 8.58 ? 13 VAL A CG2 1 ATOM 98 N N . LYS A 1 14 ? -21.144 41.886 3.155 1.00 6.61 ? 14 LYS A N 1 ATOM 99 C CA . LYS A 1 14 ? -21.914 43.044 3.553 1.00 7.81 ? 14 LYS A CA 1 ATOM 100 C C . LYS A 1 14 ? -21.041 43.953 4.389 1.00 6.97 ? 14 LYS A C 1 ATOM 101 O O . LYS A 1 14 ? -20.369 43.520 5.348 1.00 7.72 ? 14 LYS A O 1 ATOM 102 C CB . LYS A 1 14 ? -23.161 42.647 4.331 1.00 9.60 ? 14 LYS A CB 1 ATOM 103 C CG . LYS A 1 14 ? -24.075 43.761 4.654 1.00 10.93 ? 14 LYS A CG 1 ATOM 104 C CD . LYS A 1 14 ? -25.362 43.318 5.332 1.00 12.92 ? 14 LYS A CD 1 ATOM 105 C CE . LYS A 1 14 ? -26.316 42.479 4.456 1.00 15.54 ? 14 LYS A CE 1 ATOM 106 N NZ . LYS A 1 14 ? -27.599 42.067 5.136 1.00 17.98 ? 14 LYS A NZ 1 ATOM 107 N N . LYS A 1 15 ? -21.039 45.253 4.077 1.00 6.91 ? 15 LYS A N 1 ATOM 108 C CA . LYS A 1 15 ? -20.297 46.227 4.830 1.00 6.72 ? 15 LYS A CA 1 ATOM 109 C C . LYS A 1 15 ? -20.953 46.467 6.202 1.00 6.74 ? 15 LYS A C 1 ATOM 110 O O . LYS A 1 15 ? -22.165 46.633 6.277 1.00 8.39 ? 15 LYS A O 1 ATOM 111 C CB . LYS A 1 15 ? -20.224 47.510 4.035 1.00 7.66 ? 15 LYS A CB 1 ATOM 112 C CG . LYS A 1 15 ? -19.318 48.558 4.644 1.00 8.50 ? 15 LYS A CG 1 ATOM 113 C CD . LYS A 1 15 ? -19.309 49.769 3.739 1.00 10.39 ? 15 LYS A CD 1 ATOM 114 C CE . LYS A 1 15 ? -18.383 50.813 4.213 1.00 13.58 ? 15 LYS A CE 1 ATOM 115 N NZ . LYS A 1 15 ? -18.394 51.950 3.235 1.00 15.23 ? 15 LYS A NZ 1 ATOM 116 N N . ASP A 1 16 ? -20.125 46.524 7.227 1.00 6.47 ? 16 ASP A N 1 ATOM 117 C CA . ASP A 1 16 ? -20.574 46.842 8.572 1.00 7.15 ? 16 ASP A CA 1 ATOM 118 C C . ASP A 1 16 ? -20.514 48.351 8.795 1.00 7.22 ? 16 ASP A C 1 ATOM 119 O O . ASP A 1 16 ? -19.481 48.972 8.610 1.00 7.63 ? 16 ASP A O 1 ATOM 120 C CB . ASP A 1 16 ? -19.658 46.132 9.566 1.00 7.54 ? 16 ASP A CB 1 ATOM 121 C CG . ASP A 1 16 ? -20.086 46.379 10.999 1.00 8.49 ? 16 ASP A CG 1 ATOM 122 O OD1 . ASP A 1 16 ? -21.227 45.977 11.334 1.00 11.36 ? 16 ASP A OD1 1 ATOM 123 O OD2 . ASP A 1 16 ? -19.288 46.943 11.788 1.00 8.90 ? 16 ASP A OD2 1 ATOM 124 N N . ALA A 1 17 ? -21.633 48.926 9.194 1.00 8.37 ? 17 ALA A N 1 ATOM 125 C CA . ALA A 1 17 ? -21.700 50.382 9.297 1.00 9.87 ? 17 ALA A CA 1 ATOM 126 C C . ALA A 1 17 ? -20.756 50.961 10.330 1.00 9.45 ? 17 ALA A C 1 ATOM 127 O O . ALA A 1 17 ? -20.158 51.990 10.094 1.00 11.74 ? 17 ALA A O 1 ATOM 128 C CB . ALA A 1 17 ? -23.146 50.806 9.611 1.00 12.03 ? 17 ALA A CB 1 ATOM 129 N N . SER A 1 18 ? -20.635 50.320 11.480 1.00 9.94 ? 18 SER A N 1 ATOM 130 C CA A SER A 1 18 ? -19.866 50.862 12.588 0.50 11.15 ? 18 SER A CA 1 ATOM 131 C CA B SER A 1 18 ? -19.865 50.843 12.594 0.50 11.36 ? 18 SER A CA 1 ATOM 132 C C . SER A 1 18 ? -18.354 50.793 12.357 1.00 9.80 ? 18 SER A C 1 ATOM 133 O O . SER A 1 18 ? -17.646 51.722 12.664 1.00 13.58 ? 18 SER A O 1 ATOM 134 C CB A SER A 1 18 ? -20.190 50.105 13.927 0.50 14.89 ? 18 SER A CB 1 ATOM 135 C CB B SER A 1 18 ? -20.210 50.022 13.893 0.50 15.46 ? 18 SER A CB 1 ATOM 136 O OG A SER A 1 18 ? -19.406 50.652 14.984 0.50 18.11 ? 18 SER A OG 1 ATOM 137 O OG B SER A 1 18 ? -21.526 50.332 14.326 0.50 19.46 ? 18 SER A OG 1 ATOM 138 N N . THR A 1 19 ? -17.887 49.685 11.829 1.00 7.74 ? 19 THR A N 1 ATOM 139 C CA . THR A 1 19 ? -16.470 49.452 11.681 1.00 7.40 ? 19 THR A CA 1 ATOM 140 C C . THR A 1 19 ? -15.942 49.704 10.275 1.00 6.74 ? 19 THR A C 1 ATOM 141 O O . THR A 1 19 ? -14.738 49.805 10.095 1.00 7.49 ? 19 THR A O 1 ATOM 142 C CB . THR A 1 19 ? -16.079 48.023 12.058 1.00 7.97 ? 19 THR A CB 1 ATOM 143 O OG1 . THR A 1 19 ? -16.647 47.104 11.138 1.00 7.56 ? 19 THR A OG1 1 ATOM 144 C CG2 . THR A 1 19 ? -16.455 47.659 13.501 1.00 9.79 ? 19 THR A CG2 1 ATOM 145 N N . LEU A 1 20 ? -16.815 49.723 9.286 1.00 6.45 ? 20 LEU A N 1 ATOM 146 C CA . LEU A 1 20 ? -16.446 49.838 7.868 1.00 6.48 ? 20 LEU A CA 1 ATOM 147 C C . LEU A 1 20 ? -15.737 48.598 7.349 1.00 6.18 ? 20 LEU A C 1 ATOM 148 O O . LEU A 1 20 ? -15.172 48.624 6.246 1.00 7.03 ? 20 LEU A O 1 ATOM 149 C CB . LEU A 1 20 ? -15.649 51.123 7.558 1.00 7.23 ? 20 LEU A CB 1 ATOM 150 C CG . LEU A 1 20 ? -16.238 52.377 8.158 1.00 9.03 ? 20 LEU A CG 1 ATOM 151 C CD1 . LEU A 1 20 ? -15.312 53.549 7.838 1.00 11.87 ? 20 LEU A CD1 1 ATOM 152 C CD2 . LEU A 1 20 ? -17.626 52.645 7.631 1.00 11.32 ? 20 LEU A CD2 1 ATOM 153 N N . GLN A 1 21 ? -15.769 47.508 8.093 1.00 6.01 ? 21 GLN A N 1 ATOM 154 C CA . GLN A 1 21 ? -15.263 46.215 7.631 1.00 5.37 ? 21 GLN A CA 1 ATOM 155 C C . GLN A 1 21 ? -16.260 45.560 6.692 1.00 5.22 ? 21 GLN A C 1 ATOM 156 O O . GLN A 1 21 ? -17.463 45.820 6.743 1.00 7.36 ? 21 GLN A O 1 ATOM 157 C CB . GLN A 1 21 ? -14.997 45.328 8.841 1.00 5.70 ? 21 GLN A CB 1 ATOM 158 C CG . GLN A 1 21 ? -13.881 45.861 9.705 1.00 6.60 ? 21 GLN A CG 1 ATOM 159 C CD . GLN A 1 21 ? -13.882 45.328 11.120 1.00 6.38 ? 21 GLN A CD 1 ATOM 160 O OE1 . GLN A 1 21 ? -14.434 44.285 11.420 1.00 7.20 ? 21 GLN A OE1 1 ATOM 161 N NE2 . GLN A 1 21 ? -13.194 46.057 12.009 1.00 7.32 ? 21 GLN A NE2 1 ATOM 162 N N . TYR A 1 22 ? -15.761 44.681 5.846 1.00 4.77 ? 22 TYR A N 1 ATOM 163 C CA . TYR A 1 22 ? -16.592 43.898 4.938 1.00 5.02 ? 22 TYR A CA 1 ATOM 164 C C . TYR A 1 22 ? -16.691 42.498 5.499 1.00 5.23 ? 22 TYR A C 1 ATOM 165 O O . TYR A 1 22 ? -15.661 41.865 5.756 1.00 6.32 ? 22 TYR A O 1 ATOM 166 C CB . TYR A 1 22 ? -15.988 43.911 3.507 1.00 5.69 ? 22 TYR A CB 1 ATOM 167 C CG . TYR A 1 22 ? -15.882 45.310 2.977 1.00 5.68 ? 22 TYR A CG 1 ATOM 168 C CD1 . TYR A 1 22 ? -16.925 45.935 2.315 1.00 5.69 ? 22 TYR A CD1 1 ATOM 169 C CD2 . TYR A 1 22 ? -14.722 46.041 3.183 1.00 6.19 ? 22 TYR A CD2 1 ATOM 170 C CE1 . TYR A 1 22 ? -16.858 47.254 1.894 1.00 5.94 ? 22 TYR A CE1 1 ATOM 171 C CE2 . TYR A 1 22 ? -14.615 47.364 2.776 1.00 7.14 ? 22 TYR A CE2 1 ATOM 172 C CZ . TYR A 1 22 ? -15.691 47.969 2.137 1.00 6.68 ? 22 TYR A CZ 1 ATOM 173 O OH . TYR A 1 22 ? -15.521 49.289 1.769 1.00 7.49 ? 22 TYR A OH 1 ATOM 174 N N . VAL A 1 23 ? -17.900 42.019 5.696 1.00 5.23 ? 23 VAL A N 1 ATOM 175 C CA . VAL A 1 23 ? -18.156 40.768 6.415 1.00 5.44 ? 23 VAL A CA 1 ATOM 176 C C . VAL A 1 23 ? -18.756 39.754 5.467 1.00 5.53 ? 23 VAL A C 1 ATOM 177 O O . VAL A 1 23 ? -19.798 40.007 4.848 1.00 6.20 ? 23 VAL A O 1 ATOM 178 C CB . VAL A 1 23 ? -19.068 41.000 7.612 1.00 6.03 ? 23 VAL A CB 1 ATOM 179 C CG1 . VAL A 1 23 ? -19.347 39.698 8.349 1.00 7.04 ? 23 VAL A CG1 1 ATOM 180 C CG2 . VAL A 1 23 ? -18.462 42.029 8.555 1.00 7.72 ? 23 VAL A CG2 1 ATOM 181 N N . THR A 1 24 ? -18.090 38.606 5.320 1.00 5.11 ? 24 THR A N 1 ATOM 182 C CA . THR A 1 24 ? -18.610 37.503 4.533 1.00 5.45 ? 24 THR A CA 1 ATOM 183 C C . THR A 1 24 ? -19.183 36.447 5.467 1.00 5.54 ? 24 THR A C 1 ATOM 184 O O . THR A 1 24 ? -19.055 36.514 6.685 1.00 6.42 ? 24 THR A O 1 ATOM 185 C CB . THR A 1 24 ? -17.540 36.968 3.559 1.00 5.81 ? 24 THR A CB 1 ATOM 186 O OG1 . THR A 1 24 ? -18.134 36.083 2.610 1.00 6.74 ? 24 THR A OG1 1 ATOM 187 C CG2 . THR A 1 24 ? -16.434 36.224 4.244 1.00 7.16 ? 24 THR A CG2 1 ATOM 188 N N . THR A 1 25 ? -19.801 35.440 4.863 1.00 6.99 ? 25 THR A N 1 ATOM 189 C CA . THR A 1 25 ? -20.386 34.346 5.606 1.00 7.64 ? 25 THR A CA 1 ATOM 190 C C . THR A 1 25 ? -20.052 33.038 4.866 1.00 7.46 ? 25 THR A C 1 ATOM 191 O O . THR A 1 25 ? -20.181 32.956 3.640 1.00 9.15 ? 25 THR A O 1 ATOM 192 C CB . THR A 1 25 ? -21.910 34.522 5.688 1.00 9.93 ? 25 THR A CB 1 ATOM 193 O OG1 . THR A 1 25 ? -22.183 35.828 6.207 1.00 11.04 ? 25 THR A OG1 1 ATOM 194 C CG2 . THR A 1 25 ? -22.597 33.437 6.443 1.00 11.94 ? 25 THR A CG2 1 ATOM 195 N N . ILE A 1 26 ? -19.643 32.038 5.641 1.00 6.98 ? 26 ILE A N 1 ATOM 196 C CA . ILE A 1 26 ? -19.501 30.665 5.147 1.00 6.69 ? 26 ILE A CA 1 ATOM 197 C C . ILE A 1 26 ? -20.176 29.761 6.176 1.00 6.49 ? 26 ILE A C 1 ATOM 198 O O . ILE A 1 26 ? -20.509 30.191 7.280 1.00 9.00 ? 26 ILE A O 1 ATOM 199 C CB . ILE A 1 26 ? -18.025 30.236 4.930 1.00 7.49 ? 26 ILE A CB 1 ATOM 200 C CG1 . ILE A 1 26 ? -17.269 30.117 6.261 1.00 7.39 ? 26 ILE A CG1 1 ATOM 201 C CG2 . ILE A 1 26 ? -17.337 31.181 3.975 1.00 8.82 ? 26 ILE A CG2 1 ATOM 202 C CD1 . ILE A 1 26 ? -15.810 29.675 6.124 1.00 8.53 ? 26 ILE A CD1 1 ATOM 203 N N . ASN A 1 27 ? -20.362 28.502 5.844 1.00 5.87 ? 27 ASN A N 1 ATOM 204 C CA . ASN A 1 27 ? -20.817 27.518 6.843 1.00 5.67 ? 27 ASN A CA 1 ATOM 205 C C . ASN A 1 27 ? -19.648 26.579 7.127 1.00 5.27 ? 27 ASN A C 1 ATOM 206 O O . ASN A 1 27 ? -18.812 26.295 6.278 1.00 6.08 ? 27 ASN A O 1 ATOM 207 C CB . ASN A 1 27 ? -22.041 26.770 6.320 1.00 6.95 ? 27 ASN A CB 1 ATOM 208 C CG . ASN A 1 27 ? -23.278 27.698 6.343 1.00 8.62 ? 27 ASN A CG 1 ATOM 209 O OD1 . ASN A 1 27 ? -23.399 28.630 5.513 1.00 15.55 ? 27 ASN A OD1 1 ATOM 210 N ND2 . ASN A 1 27 ? -24.091 27.585 7.368 1.00 15.39 ? 27 ASN A ND2 1 ATOM 211 N N . GLN A 1 28 ? -19.615 26.101 8.375 1.00 5.32 ? 28 GLN A N 1 ATOM 212 C CA . GLN A 1 28 ? -18.517 25.255 8.833 1.00 5.04 ? 28 GLN A CA 1 ATOM 213 C C . GLN A 1 28 ? -19.033 24.362 9.949 1.00 5.10 ? 28 GLN A C 1 ATOM 214 O O . GLN A 1 28 ? -20.026 24.699 10.603 1.00 5.52 ? 28 GLN A O 1 ATOM 215 C CB . GLN A 1 28 ? -17.372 26.171 9.322 1.00 5.09 ? 28 GLN A CB 1 ATOM 216 C CG . GLN A 1 28 ? -16.065 25.487 9.729 1.00 5.21 ? 28 GLN A CG 1 ATOM 217 C CD . GLN A 1 28 ? -14.906 26.458 9.888 1.00 5.13 ? 28 GLN A CD 1 ATOM 218 O OE1 . GLN A 1 28 ? -14.825 27.506 9.255 1.00 5.97 ? 28 GLN A OE1 1 ATOM 219 N NE2 . GLN A 1 28 ? -13.961 26.087 10.739 1.00 6.10 ? 28 GLN A NE2 1 ATOM 220 N N . ARG A 1 29 ? -18.288 23.297 10.239 1.00 5.01 ? 29 ARG A N 1 ATOM 221 C CA . ARG A 1 29 ? -18.421 22.445 11.414 1.00 5.28 ? 29 ARG A CA 1 ATOM 222 C C . ARG A 1 29 ? -19.507 21.389 11.217 1.00 5.50 ? 29 ARG A C 1 ATOM 223 O O . ARG A 1 29 ? -20.314 21.453 10.292 1.00 6.46 ? 29 ARG A O 1 ATOM 224 C CB . ARG A 1 29 ? -18.741 23.253 12.716 1.00 5.11 ? 29 ARG A CB 1 ATOM 225 C CG . ARG A 1 29 ? -17.874 24.494 12.873 1.00 5.20 ? 29 ARG A CG 1 ATOM 226 C CD . ARG A 1 29 ? -18.255 25.318 14.081 1.00 5.32 ? 29 ARG A CD 1 ATOM 227 N NE . ARG A 1 29 ? -17.804 26.714 13.871 1.00 5.62 ? 29 ARG A NE 1 ATOM 228 C CZ . ARG A 1 29 ? -17.852 27.668 14.780 1.00 5.73 ? 29 ARG A CZ 1 ATOM 229 N NH1 . ARG A 1 29 ? -18.401 27.460 15.951 1.00 6.38 ? 29 ARG A NH1 1 ATOM 230 N NH2 . ARG A 1 29 ? -17.306 28.849 14.517 1.00 6.40 ? 29 ARG A NH2 1 ATOM 231 N N . THR A 1 30 ? -19.550 20.419 12.142 1.00 6.13 ? 30 THR A N 1 ATOM 232 C CA . THR A 1 30 ? -20.643 19.477 12.231 1.00 6.84 ? 30 THR A CA 1 ATOM 233 C C . THR A 1 30 ? -21.167 19.487 13.676 1.00 7.01 ? 30 THR A C 1 ATOM 234 O O . THR A 1 30 ? -20.434 19.081 14.598 1.00 7.01 ? 30 THR A O 1 ATOM 235 C CB . THR A 1 30 ? -20.211 18.057 11.810 1.00 7.13 ? 30 THR A CB 1 ATOM 236 O OG1 . THR A 1 30 ? -19.635 18.100 10.507 1.00 7.91 ? 30 THR A OG1 1 ATOM 237 C CG2 . THR A 1 30 ? -21.401 17.102 11.844 1.00 9.49 ? 30 THR A CG2 1 ATOM 238 N N . PRO A 1 31 ? -22.402 19.929 13.904 1.00 7.66 ? 31 PRO A N 1 ATOM 239 C CA . PRO A 1 31 ? -23.376 20.418 12.900 1.00 8.26 ? 31 PRO A CA 1 ATOM 240 C C . PRO A 1 31 ? -22.928 21.724 12.290 1.00 7.11 ? 31 PRO A C 1 ATOM 241 O O . PRO A 1 31 ? -22.164 22.508 12.846 1.00 6.95 ? 31 PRO A O 1 ATOM 242 C CB . PRO A 1 31 ? -24.669 20.609 13.695 1.00 9.41 ? 31 PRO A CB 1 ATOM 243 C CG . PRO A 1 31 ? -24.169 20.971 15.005 1.00 9.87 ? 31 PRO A CG 1 ATOM 244 C CD . PRO A 1 31 ? -22.948 20.067 15.256 1.00 9.44 ? 31 PRO A CD 1 ATOM 245 N N . LEU A 1 32 ? -23.430 21.942 11.099 1.00 7.84 ? 32 LEU A N 1 ATOM 246 C CA A LEU A 1 32 ? -23.072 23.090 10.309 0.50 7.55 ? 32 LEU A CA 1 ATOM 247 C CA B LEU A 1 32 ? -23.067 23.134 10.307 0.50 7.50 ? 32 LEU A CA 1 ATOM 248 C C . LEU A 1 32 ? -23.616 24.354 10.978 1.00 6.53 ? 32 LEU A C 1 ATOM 249 O O . LEU A 1 32 ? -24.816 24.418 11.356 1.00 8.09 ? 32 LEU A O 1 ATOM 250 C CB A LEU A 1 32 ? -23.626 22.826 8.950 0.50 8.82 ? 32 LEU A CB 1 ATOM 251 C CB B LEU A 1 32 ? -23.642 23.122 8.930 0.50 9.53 ? 32 LEU A CB 1 ATOM 252 C CG A LEU A 1 32 ? -23.045 23.614 7.838 0.50 7.72 ? 32 LEU A CG 1 ATOM 253 C CG B LEU A 1 32 ? -23.000 22.568 7.710 0.50 10.34 ? 32 LEU A CG 1 ATOM 254 C CD1 A LEU A 1 32 ? -21.637 23.085 7.548 0.50 6.75 ? 32 LEU A CD1 1 ATOM 255 C CD1 B LEU A 1 32 ? -23.840 23.363 6.689 0.50 13.30 ? 32 LEU A CD1 1 ATOM 256 C CD2 A LEU A 1 32 ? -23.956 23.456 6.603 0.50 13.02 ? 32 LEU A CD2 1 ATOM 257 C CD2 B LEU A 1 32 ? -21.550 22.954 7.513 0.50 10.44 ? 32 LEU A CD2 1 ATOM 258 N N . VAL A 1 33 ? -22.771 25.393 11.114 1.00 6.59 ? 33 VAL A N 1 ATOM 259 C CA . VAL A 1 33 ? -23.161 26.702 11.594 1.00 7.02 ? 33 VAL A CA 1 ATOM 260 C C . VAL A 1 33 ? -22.678 27.741 10.584 1.00 6.98 ? 33 VAL A C 1 ATOM 261 O O . VAL A 1 33 ? -21.690 27.570 9.894 1.00 8.84 ? 33 VAL A O 1 ATOM 262 C CB . VAL A 1 33 ? -22.629 27.025 12.978 1.00 8.08 ? 33 VAL A CB 1 ATOM 263 C CG1 . VAL A 1 33 ? -23.065 25.973 13.995 1.00 9.96 ? 33 VAL A CG1 1 ATOM 264 C CG2 . VAL A 1 33 ? -21.174 27.186 12.978 1.00 8.90 ? 33 VAL A CG2 1 ATOM 265 N N . SER A 1 34 ? -23.404 28.846 10.543 1.00 6.57 ? 34 SER A N 1 ATOM 266 C CA A SER A 1 34 ? -23.044 29.974 9.727 0.50 6.91 ? 34 SER A CA 1 ATOM 267 C CA B SER A 1 34 ? -22.996 29.967 9.712 0.50 6.95 ? 34 SER A CA 1 ATOM 268 C C . SER A 1 34 ? -21.997 30.809 10.505 1.00 7.45 ? 34 SER A C 1 ATOM 269 O O . SER A 1 34 ? -22.205 31.101 11.696 1.00 10.98 ? 34 SER A O 1 ATOM 270 C CB A SER A 1 34 ? -24.314 30.769 9.423 0.50 7.97 ? 34 SER A CB 1 ATOM 271 C CB B SER A 1 34 ? -24.170 30.821 9.273 0.50 9.31 ? 34 SER A CB 1 ATOM 272 O OG A SER A 1 34 ? -24.064 31.860 8.582 0.50 9.00 ? 34 SER A OG 1 ATOM 273 O OG B SER A 1 34 ? -25.146 30.042 8.630 0.50 13.54 ? 34 SER A OG 1 ATOM 274 N N . GLU A 1 35 ? -20.911 31.173 9.853 1.00 6.47 ? 35 GLU A N 1 ATOM 275 C CA . GLU A 1 35 ? -19.830 31.973 10.433 1.00 6.64 ? 35 GLU A CA 1 ATOM 276 C C . GLU A 1 35 ? -19.742 33.287 9.655 1.00 6.45 ? 35 GLU A C 1 ATOM 277 O O . GLU A 1 35 ? -19.496 33.276 8.444 1.00 7.10 ? 35 GLU A O 1 ATOM 278 C CB . GLU A 1 35 ? -18.484 31.259 10.302 1.00 6.52 ? 35 GLU A CB 1 ATOM 279 C CG . GLU A 1 35 ? -18.409 29.954 11.066 1.00 6.36 ? 35 GLU A CG 1 ATOM 280 C CD . GLU A 1 35 ? -17.132 29.205 10.854 1.00 6.14 ? 35 GLU A CD 1 ATOM 281 O OE1 . GLU A 1 35 ? -16.655 28.451 11.704 1.00 6.20 ? 35 GLU A OE1 1 ATOM 282 O OE2 . GLU A 1 35 ? -16.577 29.393 9.682 1.00 6.68 ? 35 GLU A OE2 1 ATOM 283 N N . ASN A 1 36 ? -19.841 34.405 10.383 1.00 6.21 ? 36 ASN A N 1 ATOM 284 C CA . ASN A 1 36 ? -19.529 35.696 9.826 1.00 6.12 ? 36 ASN A CA 1 ATOM 285 C C . ASN A 1 36 ? -18.048 35.976 10.063 1.00 5.40 ? 36 ASN A C 1 ATOM 286 O O . ASN A 1 36 ? -17.521 35.739 11.153 1.00 6.46 ? 36 ASN A O 1 ATOM 287 C CB . ASN A 1 36 ? -20.416 36.781 10.409 1.00 7.37 ? 36 ASN A CB 1 ATOM 288 C CG . ASN A 1 36 ? -21.900 36.652 9.943 1.00 10.18 ? 36 ASN A CG 1 ATOM 289 O OD1 . ASN A 1 36 ? -22.226 35.975 8.961 1.00 12.57 ? 36 ASN A OD1 1 ATOM 290 N ND2 . ASN A 1 36 ? -22.701 37.497 10.513 1.00 15.47 ? 36 ASN A ND2 1 ATOM 291 N N . LEU A 1 37 ? -17.377 36.455 9.010 1.00 4.77 ? 37 LEU A N 1 ATOM 292 C CA . LEU A 1 37 ? -15.931 36.566 8.978 1.00 4.72 ? 37 LEU A CA 1 ATOM 293 C C . LEU A 1 37 ? -15.556 37.877 8.312 1.00 4.62 ? 37 LEU A C 1 ATOM 294 O O . LEU A 1 37 ? -16.107 38.224 7.250 1.00 5.62 ? 37 LEU A O 1 ATOM 295 C CB . LEU A 1 37 ? -15.337 35.433 8.150 1.00 4.77 ? 37 LEU A CB 1 ATOM 296 C CG . LEU A 1 37 ? -15.652 34.018 8.603 1.00 5.04 ? 37 LEU A CG 1 ATOM 297 C CD1 . LEU A 1 37 ? -15.313 33.043 7.485 1.00 6.77 ? 37 LEU A CD1 1 ATOM 298 C CD2 . LEU A 1 37 ? -14.953 33.646 9.889 1.00 5.83 ? 37 LEU A CD2 1 ATOM 299 N N . VAL A 1 38 ? -14.607 38.615 8.879 1.00 4.43 ? 38 VAL A N 1 ATOM 300 C CA . VAL A 1 38 ? -14.150 39.836 8.217 1.00 4.52 ? 38 VAL A CA 1 ATOM 301 C C . VAL A 1 38 ? -13.262 39.446 7.052 1.00 4.48 ? 38 VAL A C 1 ATOM 302 O O . VAL A 1 38 ? -12.313 38.655 7.190 1.00 5.35 ? 38 VAL A O 1 ATOM 303 C CB . VAL A 1 38 ? -13.418 40.759 9.198 1.00 5.07 ? 38 VAL A CB 1 ATOM 304 C CG1 . VAL A 1 38 ? -12.797 41.933 8.480 1.00 5.87 ? 38 VAL A CG1 1 ATOM 305 C CG2 . VAL A 1 38 ? -14.382 41.212 10.288 1.00 6.80 ? 38 VAL A CG2 1 ATOM 306 N N . VAL A 1 39 ? -13.557 40.007 5.877 1.00 4.54 ? 39 VAL A N 1 ATOM 307 C CA . VAL A 1 39 ? -12.756 39.769 4.684 1.00 5.11 ? 39 VAL A CA 1 ATOM 308 C C . VAL A 1 39 ? -11.430 40.484 4.774 1.00 4.73 ? 39 VAL A C 1 ATOM 309 O O . VAL A 1 39 ? -11.370 41.700 4.955 1.00 5.40 ? 39 VAL A O 1 ATOM 310 C CB . VAL A 1 39 ? -13.512 40.277 3.448 1.00 5.54 ? 39 VAL A CB 1 ATOM 311 C CG1 . VAL A 1 39 ? -12.649 40.136 2.185 1.00 7.49 ? 39 VAL A CG1 1 ATOM 312 C CG2 . VAL A 1 39 ? -14.843 39.516 3.244 1.00 7.19 ? 39 VAL A CG2 1 ATOM 313 N N . ASP A 1 40 ? -10.351 39.723 4.631 1.00 5.26 ? 40 ASP A N 1 ATOM 314 C CA . ASP A 1 40 ? -8.987 40.265 4.667 1.00 5.17 ? 40 ASP A CA 1 ATOM 315 C C . ASP A 1 40 ? -8.277 39.803 3.405 1.00 4.97 ? 40 ASP A C 1 ATOM 316 O O . ASP A 1 40 ? -7.723 38.695 3.350 1.00 4.98 ? 40 ASP A O 1 ATOM 317 C CB . ASP A 1 40 ? -8.251 39.815 5.906 1.00 5.50 ? 40 ASP A CB 1 ATOM 318 C CG . ASP A 1 40 ? -6.867 40.409 6.031 1.00 5.95 ? 40 ASP A CG 1 ATOM 319 O OD1 . ASP A 1 40 ? -6.520 41.303 5.227 1.00 6.40 ? 40 ASP A OD1 1 ATOM 320 O OD2 . ASP A 1 40 ? -6.141 39.967 6.951 1.00 7.23 ? 40 ASP A OD2 1 ATOM 321 N N . LEU A 1 41 ? -8.305 40.647 2.388 1.00 5.52 ? 41 LEU A N 1 ATOM 322 C CA . LEU A 1 41 ? -7.741 40.309 1.096 1.00 6.02 ? 41 LEU A CA 1 ATOM 323 C C . LEU A 1 41 ? -6.320 39.830 1.236 1.00 6.23 ? 41 LEU A C 1 ATOM 324 O O . LEU A 1 41 ? -5.920 38.885 0.566 1.00 7.44 ? 41 LEU A O 1 ATOM 325 C CB . LEU A 1 41 ? -7.881 41.517 0.170 1.00 6.65 ? 41 LEU A CB 1 ATOM 326 C CG . LEU A 1 41 ? -7.261 41.368 -1.198 1.00 6.31 ? 41 LEU A CG 1 ATOM 327 C CD1 . LEU A 1 41 ? -7.902 40.279 -1.988 1.00 7.59 ? 41 LEU A CD1 1 ATOM 328 C CD2 . LEU A 1 41 ? -7.318 42.695 -1.902 1.00 7.96 ? 41 LEU A CD2 1 ATOM 329 N N . GLY A 1 42 ? -5.548 40.493 2.103 1.00 6.83 ? 42 GLY A N 1 ATOM 330 C CA . GLY A 1 42 ? -4.159 40.188 2.291 1.00 7.54 ? 42 GLY A CA 1 ATOM 331 C C . GLY A 1 42 ? -3.853 39.154 3.364 1.00 8.07 ? 42 GLY A C 1 ATOM 332 O O . GLY A 1 42 ? -2.682 38.928 3.642 1.00 10.65 ? 42 GLY A O 1 ATOM 333 N N . GLY A 1 43 ? -4.858 38.522 3.982 1.00 6.44 ? 43 GLY A N 1 ATOM 334 C CA . GLY A 1 43 ? -4.638 37.576 5.072 1.00 6.58 ? 43 GLY A CA 1 ATOM 335 C C . GLY A 1 43 ? -4.199 36.192 4.581 1.00 5.65 ? 43 GLY A C 1 ATOM 336 O O . GLY A 1 43 ? -4.547 35.720 3.521 1.00 6.27 ? 43 GLY A O 1 ATOM 337 N N . ARG A 1 44 ? -3.441 35.487 5.430 1.00 5.74 ? 44 ARG A N 1 ATOM 338 C CA . ARG A 1 44 ? -2.882 34.190 5.053 1.00 5.69 ? 44 ARG A CA 1 ATOM 339 C C . ARG A 1 44 ? -3.913 33.071 4.989 1.00 6.12 ? 44 ARG A C 1 ATOM 340 O O . ARG A 1 44 ? -3.679 32.088 4.285 1.00 7.83 ? 44 ARG A O 1 ATOM 341 C CB . ARG A 1 44 ? -1.800 33.782 6.030 1.00 5.96 ? 44 ARG A CB 1 ATOM 342 C CG . ARG A 1 44 ? -0.513 34.576 5.988 1.00 6.32 ? 44 ARG A CG 1 ATOM 343 C CD . ARG A 1 44 ? 0.491 33.940 6.935 1.00 7.78 ? 44 ARG A CD 1 ATOM 344 N NE . ARG A 1 44 ? 1.796 34.551 6.928 1.00 8.39 ? 44 ARG A NE 1 ATOM 345 C CZ . ARG A 1 44 ? 2.227 35.468 7.769 1.00 8.14 ? 44 ARG A CZ 1 ATOM 346 N NH1 . ARG A 1 44 ? 3.454 35.894 7.674 1.00 11.38 ? 44 ARG A NH1 1 ATOM 347 N NH2 . ARG A 1 44 ? 1.455 35.931 8.727 1.00 10.65 ? 44 ARG A NH2 1 ATOM 348 N N . PHE A 1 45 ? -4.962 33.134 5.806 1.00 5.87 ? 45 PHE A N 1 ATOM 349 C CA . PHE A 1 45 ? -5.802 31.946 5.927 1.00 7.05 ? 45 PHE A CA 1 ATOM 350 C C . PHE A 1 45 ? -7.145 32.311 6.511 1.00 4.67 ? 45 PHE A C 1 ATOM 351 O O . PHE A 1 45 ? -7.406 33.431 6.968 1.00 5.32 ? 45 PHE A O 1 ATOM 352 C CB . PHE A 1 45 ? -5.054 30.808 6.634 1.00 7.41 ? 45 PHE A CB 1 ATOM 353 C CG . PHE A 1 45 ? -4.227 31.260 7.841 1.00 6.66 ? 45 PHE A CG 1 ATOM 354 C CD1 . PHE A 1 45 ? -4.849 31.857 8.893 1.00 7.12 ? 45 PHE A CD1 1 ATOM 355 C CD2 . PHE A 1 45 ? -2.907 31.024 7.835 1.00 8.18 ? 45 PHE A CD2 1 ATOM 356 C CE1 . PHE A 1 45 ? -4.108 32.255 9.979 1.00 8.40 ? 45 PHE A CE1 1 ATOM 357 C CE2 . PHE A 1 45 ? -2.118 31.452 8.951 1.00 8.63 ? 45 PHE A CE2 1 ATOM 358 C CZ . PHE A 1 45 ? -2.740 32.047 10.004 1.00 9.62 ? 45 PHE A CZ 1 ATOM 359 N N . LEU A 1 46 ? -8.053 31.332 6.482 1.00 4.54 ? 46 LEU A N 1 ATOM 360 C CA . LEU A 1 46 ? -9.240 31.385 7.325 1.00 4.38 ? 46 LEU A CA 1 ATOM 361 C C . LEU A 1 46 ? -8.788 31.200 8.774 1.00 4.34 ? 46 LEU A C 1 ATOM 362 O O . LEU A 1 46 ? -8.073 30.224 9.061 1.00 4.91 ? 46 LEU A O 1 ATOM 363 C CB . LEU A 1 46 ? -10.161 30.232 6.940 1.00 4.94 ? 46 LEU A CB 1 ATOM 364 C CG . LEU A 1 46 ? -11.395 30.028 7.837 1.00 5.58 ? 46 LEU A CG 1 ATOM 365 C CD1 . LEU A 1 46 ? -12.306 31.244 7.837 1.00 5.98 ? 46 LEU A CD1 1 ATOM 366 C CD2 . LEU A 1 46 ? -12.143 28.774 7.396 1.00 6.43 ? 46 LEU A CD2 1 ATOM 367 N N . TRP A 1 47 ? -9.200 32.081 9.672 1.00 4.14 ? 47 TRP A N 1 ATOM 368 C CA . TRP A 1 47 ? -9.016 31.824 11.085 1.00 4.30 ? 47 TRP A CA 1 ATOM 369 C C . TRP A 1 47 ? -10.334 32.064 11.806 1.00 3.83 ? 47 TRP A C 1 ATOM 370 O O . TRP A 1 47 ? -11.108 32.934 11.439 1.00 4.44 ? 47 TRP A O 1 ATOM 371 C CB . TRP A 1 47 ? -7.827 32.568 11.736 1.00 4.93 ? 47 TRP A CB 1 ATOM 372 C CG . TRP A 1 47 ? -7.866 34.041 11.858 1.00 4.78 ? 47 TRP A CG 1 ATOM 373 C CD1 . TRP A 1 47 ? -7.106 34.934 11.131 1.00 5.68 ? 47 TRP A CD1 1 ATOM 374 C CD2 . TRP A 1 47 ? -8.526 34.821 12.861 1.00 5.01 ? 47 TRP A CD2 1 ATOM 375 N NE1 . TRP A 1 47 ? -7.246 36.194 11.617 1.00 6.36 ? 47 TRP A NE1 1 ATOM 376 C CE2 . TRP A 1 47 ? -8.106 36.167 12.686 1.00 5.72 ? 47 TRP A CE2 1 ATOM 377 C CE3 . TRP A 1 47 ? -9.385 34.513 13.931 1.00 5.42 ? 47 TRP A CE3 1 ATOM 378 C CZ2 . TRP A 1 47 ? -8.505 37.181 13.554 1.00 6.99 ? 47 TRP A CZ2 1 ATOM 379 C CZ3 . TRP A 1 47 ? -9.792 35.539 14.778 1.00 6.30 ? 47 TRP A CZ3 1 ATOM 380 C CH2 . TRP A 1 47 ? -9.370 36.847 14.574 1.00 6.66 ? 47 TRP A CH2 1 ATOM 381 N N . VAL A 1 48 ? -10.555 31.234 12.837 1.00 4.07 ? 48 VAL A N 1 ATOM 382 C CA . VAL A 1 48 ? -11.809 31.212 13.586 1.00 4.44 ? 48 VAL A CA 1 ATOM 383 C C . VAL A 1 48 ? -11.487 31.041 15.059 1.00 4.53 ? 48 VAL A C 1 ATOM 384 O O . VAL A 1 48 ? -10.543 30.332 15.412 1.00 5.05 ? 48 VAL A O 1 ATOM 385 C CB . VAL A 1 48 ? -12.695 30.037 13.071 1.00 5.72 ? 48 VAL A CB 1 ATOM 386 C CG1 . VAL A 1 48 ? -13.984 29.881 13.850 1.00 6.72 ? 48 VAL A CG1 1 ATOM 387 C CG2 . VAL A 1 48 ? -12.982 30.173 11.570 1.00 7.02 ? 48 VAL A CG2 1 ATOM 388 N N . ASP A 1 49 ? -12.303 31.629 15.919 1.00 4.71 ? 49 ASP A N 1 ATOM 389 C CA . ASP A 1 49 ? -12.255 31.373 17.361 1.00 5.23 ? 49 ASP A CA 1 ATOM 390 C C . ASP A 1 49 ? -12.677 29.929 17.638 1.00 4.95 ? 49 ASP A C 1 ATOM 391 O O . ASP A 1 49 ? -13.860 29.584 17.488 1.00 6.08 ? 49 ASP A O 1 ATOM 392 C CB . ASP A 1 49 ? -13.167 32.368 18.056 1.00 5.53 ? 49 ASP A CB 1 ATOM 393 C CG . ASP A 1 49 ? -13.207 32.219 19.565 1.00 5.40 ? 49 ASP A CG 1 ATOM 394 O OD1 . ASP A 1 49 ? -12.706 31.212 20.114 1.00 6.48 ? 49 ASP A OD1 1 ATOM 395 O OD2 . ASP A 1 49 ? -13.764 33.148 20.208 1.00 6.01 ? 49 ASP A OD2 1 ATOM 396 N N . CYS A 1 50 ? -11.730 29.090 17.992 1.00 5.11 ? 50 CYS A N 1 ATOM 397 C CA . CYS A 1 50 ? -11.997 27.716 18.361 1.00 5.74 ? 50 CYS A CA 1 ATOM 398 C C . CYS A 1 50 ? -12.184 27.523 19.874 1.00 5.57 ? 50 CYS A C 1 ATOM 399 O O . CYS A 1 50 ? -12.511 26.443 20.323 1.00 6.94 ? 50 CYS A O 1 ATOM 400 C CB . CYS A 1 50 ? -10.902 26.779 17.925 1.00 6.66 ? 50 CYS A CB 1 ATOM 401 S SG . CYS A 1 50 ? -10.699 26.719 16.126 1.00 6.79 ? 50 CYS A SG 1 ATOM 402 N N . ASP A 1 51 ? -11.884 28.566 20.648 1.00 6.19 ? 51 ASP A N 1 ATOM 403 C CA . ASP A 1 51 ? -11.953 28.450 22.079 1.00 6.94 ? 51 ASP A CA 1 ATOM 404 C C . ASP A 1 51 ? -13.359 28.562 22.619 1.00 6.74 ? 51 ASP A C 1 ATOM 405 O O . ASP A 1 51 ? -13.673 27.962 23.652 1.00 9.50 ? 51 ASP A O 1 ATOM 406 C CB . ASP A 1 51 ? -11.103 29.533 22.752 1.00 7.95 ? 51 ASP A CB 1 ATOM 407 C CG . ASP A 1 51 ? -9.579 29.335 22.584 1.00 8.38 ? 51 ASP A CG 1 ATOM 408 O OD1 . ASP A 1 51 ? -9.130 28.285 22.089 1.00 9.19 ? 51 ASP A OD1 1 ATOM 409 O OD2 . ASP A 1 51 ? -8.858 30.293 22.981 1.00 10.90 ? 51 ASP A OD2 1 ATOM 410 N N . GLN A 1 52 ? -14.190 29.378 21.981 1.00 6.36 ? 52 GLN A N 1 ATOM 411 C CA . GLN A 1 52 ? -15.472 29.798 22.501 1.00 6.76 ? 52 GLN A CA 1 ATOM 412 C C . GLN A 1 52 ? -16.564 29.403 21.522 1.00 6.14 ? 52 GLN A C 1 ATOM 413 O O . GLN A 1 52 ? -16.573 29.815 20.367 1.00 7.54 ? 52 GLN A O 1 ATOM 414 C CB . GLN A 1 52 ? -15.452 31.309 22.740 1.00 7.35 ? 52 GLN A CB 1 ATOM 415 C CG . GLN A 1 52 ? -16.729 31.871 23.290 1.00 7.82 ? 52 GLN A CG 1 ATOM 416 C CD . GLN A 1 52 ? -16.466 33.281 23.757 1.00 7.83 ? 52 GLN A CD 1 ATOM 417 O OE1 . GLN A 1 52 ? -16.749 34.249 23.063 1.00 9.20 ? 52 GLN A OE1 1 ATOM 418 N NE2 . GLN A 1 52 ? -15.893 33.421 24.944 1.00 9.19 ? 52 GLN A NE2 1 ATOM 419 N N . ASN A 1 53 ? -17.520 28.599 22.000 1.00 6.67 ? 53 ASN A N 1 ATOM 420 C CA . ASN A 1 53 ? -18.680 28.198 21.197 1.00 7.46 ? 53 ASN A CA 1 ATOM 421 C C . ASN A 1 53 ? -18.300 27.551 19.886 1.00 6.38 ? 53 ASN A C 1 ATOM 422 O O . ASN A 1 53 ? -18.911 27.837 18.838 1.00 8.56 ? 53 ASN A O 1 ATOM 423 C CB . ASN A 1 53 ? -19.647 29.366 20.977 1.00 10.46 ? 53 ASN A CB 1 ATOM 424 C CG . ASN A 1 53 ? -20.094 30.010 22.228 1.00 13.86 ? 53 ASN A CG 1 ATOM 425 O OD1 . ASN A 1 53 ? -20.176 29.354 23.206 1.00 16.12 ? 53 ASN A OD1 1 ATOM 426 N ND2 . ASN A 1 53 ? -20.380 31.292 22.192 1.00 20.14 ? 53 ASN A ND2 1 ATOM 427 N N . TYR A 1 54 ? -17.315 26.665 19.914 1.00 5.98 ? 54 TYR A N 1 ATOM 428 C CA . TYR A 1 54 ? -16.895 25.896 18.744 1.00 5.64 ? 54 TYR A CA 1 ATOM 429 C C . TYR A 1 54 ? -17.060 24.410 19.076 1.00 5.40 ? 54 TYR A C 1 ATOM 430 O O . TYR A 1 54 ? -16.331 23.877 19.900 1.00 6.06 ? 54 TYR A O 1 ATOM 431 C CB . TYR A 1 54 ? -15.452 26.218 18.308 1.00 5.85 ? 54 TYR A CB 1 ATOM 432 C CG . TYR A 1 54 ? -15.101 25.674 16.937 1.00 5.11 ? 54 TYR A CG 1 ATOM 433 C CD1 . TYR A 1 54 ? -14.862 26.527 15.878 1.00 5.81 ? 54 TYR A CD1 1 ATOM 434 C CD2 . TYR A 1 54 ? -15.017 24.283 16.687 1.00 5.41 ? 54 TYR A CD2 1 ATOM 435 C CE1 . TYR A 1 54 ? -14.547 26.044 14.615 1.00 6.05 ? 54 TYR A CE1 1 ATOM 436 C CE2 . TYR A 1 54 ? -14.725 23.809 15.430 1.00 5.72 ? 54 TYR A CE2 1 ATOM 437 C CZ . TYR A 1 54 ? -14.493 24.686 14.377 1.00 5.48 ? 54 TYR A CZ 1 ATOM 438 O OH . TYR A 1 54 ? -14.215 24.244 13.111 1.00 5.71 ? 54 TYR A OH 1 ATOM 439 N N . VAL A 1 55 ? -18.073 23.810 18.448 1.00 5.52 ? 55 VAL A N 1 ATOM 440 C CA . VAL A 1 55 ? -18.461 22.439 18.667 1.00 5.93 ? 55 VAL A CA 1 ATOM 441 C C . VAL A 1 55 ? -18.430 21.732 17.336 1.00 5.69 ? 55 VAL A C 1 ATOM 442 O O . VAL A 1 55 ? -19.090 22.183 16.385 1.00 6.87 ? 55 VAL A O 1 ATOM 443 C CB . VAL A 1 55 ? -19.890 22.339 19.289 1.00 7.28 ? 55 VAL A CB 1 ATOM 444 C CG1 . VAL A 1 55 ? -20.247 20.887 19.520 1.00 8.93 ? 55 VAL A CG1 1 ATOM 445 C CG2 . VAL A 1 55 ? -19.975 23.129 20.579 1.00 8.39 ? 55 VAL A CG2 1 ATOM 446 N N . SER A 1 56 ? -17.640 20.650 17.176 1.00 5.44 ? 56 SER A N 1 ATOM 447 C CA . SER A 1 56 ? -17.632 19.990 15.896 1.00 5.53 ? 56 SER A CA 1 ATOM 448 C C . SER A 1 56 ? -17.095 18.592 16.009 1.00 5.74 ? 56 SER A C 1 ATOM 449 O O . SER A 1 56 ? -15.953 18.388 16.452 1.00 7.19 ? 56 SER A O 1 ATOM 450 C CB . SER A 1 56 ? -16.754 20.746 14.921 1.00 5.55 ? 56 SER A CB 1 ATOM 451 O OG . SER A 1 56 ? -16.886 20.123 13.658 1.00 6.00 ? 56 SER A OG 1 ATOM 452 N N . SER A 1 57 ? -17.849 17.615 15.499 1.00 6.22 ? 57 SER A N 1 ATOM 453 C CA . SER A 1 57 ? -17.404 16.242 15.468 1.00 6.67 ? 57 SER A CA 1 ATOM 454 C C . SER A 1 57 ? -16.538 15.918 14.273 1.00 6.74 ? 57 SER A C 1 ATOM 455 O O . SER A 1 57 ? -15.996 14.816 14.199 1.00 9.78 ? 57 SER A O 1 ATOM 456 C CB . SER A 1 57 ? -18.591 15.299 15.551 1.00 8.13 ? 57 SER A CB 1 ATOM 457 O OG . SER A 1 57 ? -19.443 15.501 14.453 1.00 8.82 ? 57 SER A OG 1 ATOM 458 N N . THR A 1 58 ? -16.359 16.856 13.361 1.00 5.72 ? 58 THR A N 1 ATOM 459 C CA . THR A 1 58 ? -15.491 16.712 12.201 1.00 6.00 ? 58 THR A CA 1 ATOM 460 C C . THR A 1 58 ? -14.212 17.530 12.306 1.00 6.22 ? 58 THR A C 1 ATOM 461 O O . THR A 1 58 ? -13.381 17.473 11.393 1.00 8.40 ? 58 THR A O 1 ATOM 462 C CB . THR A 1 58 ? -16.261 16.999 10.919 1.00 6.31 ? 58 THR A CB 1 ATOM 463 O OG1 . THR A 1 58 ? -17.027 18.198 11.072 1.00 6.62 ? 58 THR A OG1 1 ATOM 464 C CG2 . THR A 1 58 ? -17.227 15.867 10.600 1.00 8.07 ? 58 THR A CG2 1 ATOM 465 N N . TYR A 1 59 ? -14.034 18.291 13.369 1.00 6.12 ? 59 TYR A N 1 ATOM 466 C CA . TYR A 1 59 ? -12.785 18.998 13.603 1.00 5.80 ? 59 TYR A CA 1 ATOM 467 C C . TYR A 1 59 ? -11.667 17.995 13.803 1.00 5.84 ? 59 TYR A C 1 ATOM 468 O O . TYR A 1 59 ? -11.835 17.033 14.582 1.00 7.00 ? 59 TYR A O 1 ATOM 469 C CB . TYR A 1 59 ? -12.956 19.864 14.826 1.00 6.55 ? 59 TYR A CB 1 ATOM 470 C CG . TYR A 1 59 ? -11.683 20.538 15.313 1.00 6.46 ? 59 TYR A CG 1 ATOM 471 C CD1 . TYR A 1 59 ? -11.463 21.870 15.029 1.00 6.24 ? 59 TYR A CD1 1 ATOM 472 C CD2 . TYR A 1 59 ? -10.676 19.895 16.008 1.00 8.34 ? 59 TYR A CD2 1 ATOM 473 C CE1 . TYR A 1 59 ? -10.333 22.537 15.454 1.00 6.79 ? 59 TYR A CE1 1 ATOM 474 C CE2 . TYR A 1 59 ? -9.497 20.614 16.387 1.00 7.72 ? 59 TYR A CE2 1 ATOM 475 C CZ . TYR A 1 59 ? -9.380 21.903 16.124 1.00 7.43 ? 59 TYR A CZ 1 ATOM 476 O OH . TYR A 1 59 ? -8.287 22.647 16.565 1.00 8.72 ? 59 TYR A OH 1 ATOM 477 N N . ARG A 1 60 ? -10.524 18.238 13.181 1.00 6.16 ? 60 ARG A N 1 ATOM 478 C CA . ARG A 1 60 ? -9.342 17.436 13.370 1.00 7.37 ? 60 ARG A CA 1 ATOM 479 C C . ARG A 1 60 ? -8.151 18.378 13.591 1.00 7.10 ? 60 ARG A C 1 ATOM 480 O O . ARG A 1 60 ? -7.954 19.281 12.770 1.00 7.60 ? 60 ARG A O 1 ATOM 481 C CB . ARG A 1 60 ? -9.031 16.621 12.082 1.00 9.56 ? 60 ARG A CB 1 ATOM 482 C CG . ARG A 1 60 ? -10.111 15.686 11.652 1.00 12.57 ? 60 ARG A CG 1 ATOM 483 C CD . ARG A 1 60 ? -9.896 15.295 10.193 1.00 16.02 ? 60 ARG A CD 1 ATOM 484 N NE . ARG A 1 60 ? -10.725 14.238 9.713 1.00 26.83 ? 60 ARG A NE 1 ATOM 485 C CZ . ARG A 1 60 ? -10.377 12.953 9.715 1.00 35.52 ? 60 ARG A CZ 1 ATOM 486 N NH1 . ARG A 1 60 ? -9.197 12.586 10.241 1.00 38.20 ? 60 ARG A NH1 1 ATOM 487 N NH2 . ARG A 1 60 ? -11.219 12.062 9.239 1.00 40.16 ? 60 ARG A NH2 1 ATOM 488 N N . PRO A 1 61 ? -7.316 18.163 14.592 1.00 7.56 ? 61 PRO A N 1 ATOM 489 C CA . PRO A 1 61 ? -6.064 18.934 14.675 1.00 7.52 ? 61 PRO A CA 1 ATOM 490 C C . PRO A 1 61 ? -5.145 18.501 13.555 1.00 7.50 ? 61 PRO A C 1 ATOM 491 O O . PRO A 1 61 ? -5.125 17.338 13.162 1.00 9.76 ? 61 PRO A O 1 ATOM 492 C CB . PRO A 1 61 ? -5.490 18.499 16.034 1.00 9.48 ? 61 PRO A CB 1 ATOM 493 C CG . PRO A 1 61 ? -6.082 17.178 16.282 1.00 12.63 ? 61 PRO A CG 1 ATOM 494 C CD . PRO A 1 61 ? -7.434 17.165 15.683 1.00 9.97 ? 61 PRO A CD 1 ATOM 495 N N . VAL A 1 62 ? -4.357 19.436 13.020 1.00 6.74 ? 62 VAL A N 1 ATOM 496 C CA . VAL A 1 62 ? -3.324 19.122 12.072 1.00 7.14 ? 62 VAL A CA 1 ATOM 497 C C . VAL A 1 62 ? -2.017 18.913 12.858 1.00 7.47 ? 62 VAL A C 1 ATOM 498 O O . VAL A 1 62 ? -1.528 19.824 13.537 1.00 7.62 ? 62 VAL A O 1 ATOM 499 C CB . VAL A 1 62 ? -3.163 20.218 11.031 1.00 7.10 ? 62 VAL A CB 1 ATOM 500 C CG1 . VAL A 1 62 ? -1.893 20.062 10.225 1.00 8.57 ? 62 VAL A CG1 1 ATOM 501 C CG2 . VAL A 1 62 ? -4.390 20.183 10.083 1.00 7.71 ? 62 VAL A CG2 1 ATOM 502 N N . ARG A 1 63 ? -1.519 17.680 12.845 1.00 8.53 ? 63 ARG A N 1 ATOM 503 C CA . ARG A 1 63 ? -0.326 17.346 13.628 1.00 9.39 ? 63 ARG A CA 1 ATOM 504 C C . ARG A 1 63 ? 0.928 17.951 12.992 1.00 8.71 ? 63 ARG A C 1 ATOM 505 O O . ARG A 1 63 ? 0.982 18.237 11.781 1.00 9.04 ? 63 ARG A O 1 ATOM 506 C CB . ARG A 1 63 ? -0.179 15.849 13.804 1.00 11.56 ? 63 ARG A CB 1 ATOM 507 C CG . ARG A 1 63 ? -1.368 15.214 14.515 1.00 13.90 ? 63 ARG A CG 1 ATOM 508 C CD . ARG A 1 63 ? -1.720 15.715 15.927 1.00 15.00 ? 63 ARG A CD 1 ATOM 509 N NE . ARG A 1 63 ? -2.921 14.990 16.397 1.00 18.54 ? 63 ARG A NE 1 ATOM 510 C CZ . ARG A 1 63 ? -3.500 15.138 17.581 1.00 17.78 ? 63 ARG A CZ 1 ATOM 511 N NH1 . ARG A 1 63 ? -2.997 15.979 18.454 1.00 18.31 ? 63 ARG A NH1 1 ATOM 512 N NH2 . ARG A 1 63 ? -4.581 14.429 17.889 1.00 23.17 ? 63 ARG A NH2 1 ATOM 513 N N . CYS A 1 64 ? 1.930 18.164 13.825 1.00 8.95 ? 64 CYS A N 1 ATOM 514 C CA . CYS A 1 64 ? 3.225 18.565 13.332 1.00 9.22 ? 64 CYS A CA 1 ATOM 515 C C . CYS A 1 64 ? 3.749 17.505 12.380 1.00 10.19 ? 64 CYS A C 1 ATOM 516 O O . CYS A 1 64 ? 3.406 16.333 12.454 1.00 11.15 ? 64 CYS A O 1 ATOM 517 C CB . CYS A 1 64 ? 4.233 18.773 14.467 1.00 10.31 ? 64 CYS A CB 1 ATOM 518 S SG . CYS A 1 64 ? 3.552 19.921 15.677 1.00 10.52 ? 64 CYS A SG 1 ATOM 519 N N . ARG A 1 65 ? 4.610 17.916 11.454 1.00 10.88 ? 65 ARG A N 1 ATOM 520 C CA . ARG A 1 65 ? 5.327 16.993 10.558 1.00 12.66 ? 65 ARG A CA 1 ATOM 521 C C . ARG A 1 65 ? 4.445 16.322 9.537 1.00 13.80 ? 65 ARG A C 1 ATOM 522 O O . ARG A 1 65 ? 4.832 15.325 8.964 1.00 20.39 ? 65 ARG A O 1 ATOM 523 C CB . ARG A 1 65 ? 6.129 15.946 11.347 1.00 14.48 ? 65 ARG A CB 1 ATOM 524 C CG . ARG A 1 65 ? 7.102 16.502 12.340 1.00 15.96 ? 65 ARG A CG 1 ATOM 525 C CD . ARG A 1 65 ? 7.682 15.412 13.167 1.00 18.83 ? 65 ARG A CD 1 ATOM 526 N NE . ARG A 1 65 ? 8.625 15.902 14.150 1.00 19.25 ? 65 ARG A NE 1 ATOM 527 C CZ . ARG A 1 65 ? 9.536 15.127 14.739 1.00 22.70 ? 65 ARG A CZ 1 ATOM 528 N NH1 . ARG A 1 65 ? 9.583 13.808 14.453 1.00 27.83 ? 65 ARG A NH1 1 ATOM 529 N NH2 . ARG A 1 65 ? 10.411 15.624 15.622 1.00 29.21 ? 65 ARG A NH2 1 ATOM 530 N N . THR A 1 66 ? 3.291 16.893 9.229 1.00 12.32 ? 66 THR A N 1 ATOM 531 C CA . THR A 1 66 ? 2.390 16.383 8.228 1.00 12.23 ? 66 THR A CA 1 ATOM 532 C C . THR A 1 66 ? 2.419 17.251 6.980 1.00 11.77 ? 66 THR A C 1 ATOM 533 O O . THR A 1 66 ? 2.843 18.395 6.980 1.00 11.88 ? 66 THR A O 1 ATOM 534 C CB . THR A 1 66 ? 0.973 16.293 8.773 1.00 12.94 ? 66 THR A CB 1 ATOM 535 O OG1 . THR A 1 66 ? 0.513 17.601 9.108 1.00 11.30 ? 66 THR A OG1 1 ATOM 536 C CG2 . THR A 1 66 ? 0.896 15.359 9.941 1.00 14.71 ? 66 THR A CG2 1 ATOM 537 N N . SER A 1 67 ? 1.870 16.706 5.903 1.00 14.01 ? 67 SER A N 1 ATOM 538 C CA . SER A 1 67 ? 1.755 17.481 4.671 1.00 14.85 ? 67 SER A CA 1 ATOM 539 C C . SER A 1 67 ? 0.825 18.698 4.890 1.00 11.69 ? 67 SER A C 1 ATOM 540 O O . SER A 1 67 ? 1.111 19.750 4.348 1.00 11.26 ? 67 SER A O 1 ATOM 541 C CB . SER A 1 67 ? 1.300 16.608 3.530 1.00 20.29 ? 67 SER A CB 1 ATOM 542 O OG . SER A 1 67 ? 0.043 16.121 3.822 1.00 22.89 ? 67 SER A OG 1 ATOM 543 N N . GLN A 1 68 ? -0.244 18.562 5.677 1.00 10.70 ? 68 GLN A N 1 ATOM 544 C CA . GLN A 1 68 ? -1.114 19.703 5.954 1.00 9.74 ? 68 GLN A CA 1 ATOM 545 C C . GLN A 1 68 ? -0.375 20.782 6.705 1.00 8.75 ? 68 GLN A C 1 ATOM 546 O O . GLN A 1 68 ? -0.587 21.975 6.457 1.00 8.86 ? 68 GLN A O 1 ATOM 547 C CB . GLN A 1 68 ? -2.383 19.300 6.699 1.00 11.01 ? 68 GLN A CB 1 ATOM 548 C CG . GLN A 1 68 ? -3.311 18.396 5.937 1.00 13.04 ? 68 GLN A CG 1 ATOM 549 C CD . GLN A 1 68 ? -3.100 16.945 6.330 1.00 17.53 ? 68 GLN A CD 1 ATOM 550 O OE1 . GLN A 1 68 ? -1.956 16.466 6.481 1.00 15.25 ? 68 GLN A OE1 1 ATOM 551 N NE2 . GLN A 1 68 ? -4.234 16.220 6.524 1.00 21.74 ? 68 GLN A NE2 1 ATOM 552 N N . CYS A 1 69 ? 0.503 20.394 7.634 1.00 8.17 ? 69 CYS A N 1 ATOM 553 C CA . CYS A 1 69 ? 1.277 21.358 8.358 1.00 8.34 ? 69 CYS A CA 1 ATOM 554 C C . CYS A 1 69 ? 2.205 22.107 7.377 1.00 8.15 ? 69 CYS A C 1 ATOM 555 O O . CYS A 1 69 ? 2.310 23.324 7.402 1.00 8.24 ? 69 CYS A O 1 ATOM 556 C CB . CYS A 1 69 ? 2.078 20.701 9.454 1.00 9.20 ? 69 CYS A CB 1 ATOM 557 S SG . CYS A 1 69 ? 2.913 21.939 10.538 1.00 10.49 ? 69 CYS A SG 1 ATOM 558 N N . SER A 1 70 ? 2.833 21.384 6.452 1.00 8.94 ? 70 SER A N 1 ATOM 559 C CA . SER A 1 70 ? 3.676 21.972 5.445 1.00 10.32 ? 70 SER A CA 1 ATOM 560 C C . SER A 1 70 ? 2.884 22.963 4.576 1.00 9.37 ? 70 SER A C 1 ATOM 561 O O . SER A 1 70 ? 3.383 24.028 4.237 1.00 10.00 ? 70 SER A O 1 ATOM 562 C CB . SER A 1 70 ? 4.342 20.874 4.617 1.00 12.56 ? 70 SER A CB 1 ATOM 563 O OG . SER A 1 70 ? 5.209 21.371 3.649 1.00 14.93 ? 70 SER A OG 1 ATOM 564 N N . LEU A 1 71 ? 1.654 22.618 4.181 1.00 9.22 ? 71 LEU A N 1 ATOM 565 C CA . LEU A 1 71 ? 0.840 23.519 3.408 1.00 9.75 ? 71 LEU A CA 1 ATOM 566 C C . LEU A 1 71 ? 0.609 24.823 4.118 1.00 10.20 ? 71 LEU A C 1 ATOM 567 O O . LEU A 1 71 ? 0.458 25.836 3.473 1.00 15.19 ? 71 LEU A O 1 ATOM 568 C CB . LEU A 1 71 ? -0.525 22.915 3.052 1.00 9.75 ? 71 LEU A CB 1 ATOM 569 C CG . LEU A 1 71 ? -0.536 21.804 2.041 1.00 11.28 ? 71 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 71 ? -1.901 21.168 1.921 1.00 14.18 ? 71 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 71 ? -0.054 22.333 0.670 1.00 14.48 ? 71 LEU A CD2 1 ATOM 572 N N . SER A 1 72 ? 0.547 24.783 5.449 1.00 8.53 ? 72 SER A N 1 ATOM 573 C CA A SER A 1 72 ? 0.309 25.969 6.266 0.50 8.45 ? 72 SER A CA 1 ATOM 574 C CA B SER A 1 72 ? 0.315 25.945 6.285 0.50 9.01 ? 72 SER A CA 1 ATOM 575 C C . SER A 1 72 ? 1.587 26.756 6.557 1.00 9.53 ? 72 SER A C 1 ATOM 576 O O . SER A 1 72 ? 1.494 27.788 7.186 1.00 13.43 ? 72 SER A O 1 ATOM 577 C CB A SER A 1 72 ? -0.402 25.614 7.558 0.50 7.36 ? 72 SER A CB 1 ATOM 578 C CB B SER A 1 72 ? -0.326 25.499 7.581 0.50 10.15 ? 72 SER A CB 1 ATOM 579 O OG A SER A 1 72 ? 0.519 25.122 8.525 0.50 5.70 ? 72 SER A OG 1 ATOM 580 O OG B SER A 1 72 ? -1.474 24.702 7.312 0.50 11.91 ? 72 SER A OG 1 ATOM 581 N N . GLY A 1 73 ? 2.762 26.278 6.137 1.00 10.06 ? 73 GLY A N 1 ATOM 582 C CA . GLY A 1 73 ? 4.024 26.945 6.301 1.00 11.45 ? 73 GLY A CA 1 ATOM 583 C C . GLY A 1 73 ? 4.984 26.325 7.281 1.00 10.72 ? 73 GLY A C 1 ATOM 584 O O . GLY A 1 73 ? 6.111 26.818 7.434 1.00 13.97 ? 73 GLY A O 1 ATOM 585 N N . SER A 1 74 ? 4.612 25.255 7.963 1.00 9.48 ? 74 SER A N 1 ATOM 586 C CA . SER A 1 74 ? 5.511 24.624 8.934 1.00 10.40 ? 74 SER A CA 1 ATOM 587 C C . SER A 1 74 ? 6.094 25.673 9.889 1.00 9.84 ? 74 SER A C 1 ATOM 588 O O . SER A 1 74 ? 7.294 25.667 10.193 1.00 11.85 ? 74 SER A O 1 ATOM 589 C CB . SER A 1 74 ? 6.605 23.776 8.294 1.00 12.46 ? 74 SER A CB 1 ATOM 590 O OG . SER A 1 74 ? 6.038 22.653 7.627 1.00 13.20 ? 74 SER A OG 1 ATOM 591 N N . ILE A 1 75 ? 5.248 26.570 10.396 1.00 8.20 ? 75 ILE A N 1 ATOM 592 C CA . ILE A 1 75 ? 5.731 27.698 11.186 1.00 8.63 ? 75 ILE A CA 1 ATOM 593 C C . ILE A 1 75 ? 6.192 27.265 12.576 1.00 8.16 ? 75 ILE A C 1 ATOM 594 O O . ILE A 1 75 ? 7.250 27.685 13.036 1.00 9.67 ? 75 ILE A O 1 ATOM 595 C CB . ILE A 1 75 ? 4.635 28.791 11.270 1.00 9.92 ? 75 ILE A CB 1 ATOM 596 C CG1 . ILE A 1 75 ? 4.320 29.297 9.842 1.00 12.50 ? 75 ILE A CG1 1 ATOM 597 C CG2 . ILE A 1 75 ? 5.080 29.874 12.221 1.00 15.43 ? 75 ILE A CG2 1 ATOM 598 C CD1 . ILE A 1 75 ? 5.490 29.582 8.963 1.00 19.08 ? 75 ILE A CD1 1 ATOM 599 N N . ALA A 1 76 ? 5.394 26.449 13.249 1.00 7.98 ? 76 ALA A N 1 ATOM 600 C CA . ALA A 1 76 ? 5.641 26.090 14.642 1.00 8.77 ? 76 ALA A CA 1 ATOM 601 C C . ALA A 1 76 ? 5.014 24.730 14.913 1.00 7.59 ? 76 ALA A C 1 ATOM 602 O O . ALA A 1 76 ? 4.127 24.269 14.195 1.00 7.57 ? 76 ALA A O 1 ATOM 603 C CB . ALA A 1 76 ? 5.041 27.108 15.595 1.00 10.87 ? 76 ALA A CB 1 ATOM 604 N N . CYS A 1 77 ? 5.466 24.126 16.008 1.00 8.93 ? 77 CYS A N 1 ATOM 605 C CA . CYS A 1 77 ? 4.850 22.930 16.572 1.00 8.50 ? 77 CYS A CA 1 ATOM 606 C C . CYS A 1 77 ? 4.584 23.231 18.036 1.00 8.14 ? 77 CYS A C 1 ATOM 607 O O . CYS A 1 77 ? 5.487 23.681 18.735 1.00 10.43 ? 77 CYS A O 1 ATOM 608 C CB . CYS A 1 77 ? 5.807 21.735 16.448 1.00 10.48 ? 77 CYS A CB 1 ATOM 609 S SG . CYS A 1 77 ? 5.082 20.189 17.021 1.00 11.78 ? 77 CYS A SG 1 ATOM 610 N N . GLY A 1 78 ? 3.370 22.988 18.490 1.00 8.52 ? 78 GLY A N 1 ATOM 611 C CA . GLY A 1 78 ? 2.936 23.382 19.803 1.00 10.07 ? 78 GLY A CA 1 ATOM 612 C C . GLY A 1 78 ? 2.236 22.275 20.580 1.00 9.70 ? 78 GLY A C 1 ATOM 613 O O . GLY A 1 78 ? 1.790 21.249 20.026 1.00 10.98 ? 78 GLY A O 1 ATOM 614 N N . ASP A 1 79 ? 2.166 22.514 21.883 1.00 10.61 ? 79 ASP A N 1 ATOM 615 C CA . ASP A 1 79 ? 1.388 21.683 22.785 1.00 11.72 ? 79 ASP A CA 1 ATOM 616 C C . ASP A 1 79 ? 0.511 22.616 23.604 1.00 11.94 ? 79 ASP A C 1 ATOM 617 O O . ASP A 1 79 ? 0.822 23.771 23.796 1.00 13.74 ? 79 ASP A O 1 ATOM 618 C CB . ASP A 1 79 ? 2.338 20.879 23.677 1.00 13.51 ? 79 ASP A CB 1 ATOM 619 C CG . ASP A 1 79 ? 3.380 20.142 22.829 1.00 15.80 ? 79 ASP A CG 1 ATOM 620 O OD1 . ASP A 1 79 ? 2.976 19.115 22.278 1.00 16.71 ? 79 ASP A OD1 1 ATOM 621 O OD2 . ASP A 1 79 ? 4.557 20.607 22.708 1.00 19.74 ? 79 ASP A OD2 1 ATOM 622 N N . CYS A 1 80 ? -0.605 22.104 24.089 1.00 13.55 ? 80 CYS A N 1 ATOM 623 C CA . CYS A 1 80 ? -1.531 22.943 24.855 1.00 14.29 ? 80 CYS A CA 1 ATOM 624 C C . CYS A 1 80 ? -1.786 22.430 26.276 1.00 15.07 ? 80 CYS A C 1 ATOM 625 O O . CYS A 1 80 ? -2.308 21.358 26.430 1.00 15.09 ? 80 CYS A O 1 ATOM 626 C CB . CYS A 1 80 ? -2.761 23.185 23.939 1.00 11.97 ? 80 CYS A CB 1 ATOM 627 S SG . CYS A 1 80 ? -4.044 24.151 24.738 1.00 12.44 ? 80 CYS A SG 1 ATOM 628 N N . PHE A 1 81 ? -1.489 23.201 27.326 1.00 18.51 ? 81 PHE A N 1 ATOM 629 C CA . PHE A 1 81 ? -1.605 22.668 28.689 1.00 19.87 ? 81 PHE A CA 1 ATOM 630 C C . PHE A 1 81 ? -2.954 22.977 29.300 1.00 22.62 ? 81 PHE A C 1 ATOM 631 O O . PHE A 1 81 ? -3.025 23.560 30.393 1.00 27.68 ? 81 PHE A O 1 ATOM 632 C CB . PHE A 1 81 ? -0.419 23.129 29.528 1.00 22.92 ? 81 PHE A CB 1 ATOM 633 C CG . PHE A 1 81 ? 0.881 22.619 28.986 1.00 23.42 ? 81 PHE A CG 1 ATOM 634 C CD1 . PHE A 1 81 ? 1.369 21.389 29.411 1.00 27.34 ? 81 PHE A CD1 1 ATOM 635 C CD2 . PHE A 1 81 ? 1.589 23.329 28.008 1.00 26.22 ? 81 PHE A CD2 1 ATOM 636 C CE1 . PHE A 1 81 ? 2.525 20.872 28.881 1.00 27.66 ? 81 PHE A CE1 1 ATOM 637 C CE2 . PHE A 1 81 ? 2.770 22.818 27.492 1.00 26.99 ? 81 PHE A CE2 1 ATOM 638 C CZ . PHE A 1 81 ? 3.237 21.595 27.922 1.00 29.03 ? 81 PHE A CZ 1 ATOM 639 N N . ASN A 1 82 ? -3.993 22.598 28.560 1.00 21.38 ? 82 ASN A N 1 ATOM 640 C CA . ASN A 1 82 ? -5.343 22.565 29.044 1.00 20.69 ? 82 ASN A CA 1 ATOM 641 C C . ASN A 1 82 ? -5.963 21.317 28.461 1.00 18.72 ? 82 ASN A C 1 ATOM 642 O O . ASN A 1 82 ? -5.307 20.620 27.673 1.00 15.43 ? 82 ASN A O 1 ATOM 643 C CB . ASN A 1 82 ? -6.117 23.814 28.612 1.00 22.22 ? 82 ASN A CB 1 ATOM 644 C CG . ASN A 1 82 ? -5.468 25.092 29.092 1.00 25.36 ? 82 ASN A CG 1 ATOM 645 O OD1 . ASN A 1 82 ? -5.805 25.618 30.179 1.00 28.10 ? 82 ASN A OD1 1 ATOM 646 N ND2 . ASN A 1 82 ? -4.514 25.607 28.295 1.00 27.32 ? 82 ASN A ND2 1 ATOM 647 N N . GLY A 1 83 ? -7.204 21.082 28.816 1.00 17.64 ? 83 GLY A N 1 ATOM 648 C CA . GLY A 1 83 ? -7.894 19.877 28.300 1.00 16.90 ? 83 GLY A CA 1 ATOM 649 C C . GLY A 1 83 ? -7.969 19.925 26.776 1.00 18.44 ? 83 GLY A C 1 ATOM 650 O O . GLY A 1 83 ? -8.174 21.014 26.240 1.00 15.10 ? 83 GLY A O 1 ATOM 651 N N . PRO A 1 84 ? -7.824 18.749 26.094 1.00 16.49 ? 84 PRO A N 1 ATOM 652 C CA . PRO A 1 84 ? -7.965 18.623 24.644 1.00 15.01 ? 84 PRO A CA 1 ATOM 653 C C . PRO A 1 84 ? -9.384 19.051 24.075 1.00 16.56 ? 84 PRO A C 1 ATOM 654 O O . PRO A 1 84 ? -10.397 18.642 24.683 1.00 18.21 ? 84 PRO A O 1 ATOM 655 C CB . PRO A 1 84 ? -7.726 17.076 24.378 1.00 16.59 ? 84 PRO A CB 1 ATOM 656 C CG . PRO A 1 84 ? -7.796 16.425 25.635 1.00 19.77 ? 84 PRO A CG 1 ATOM 657 C CD . PRO A 1 84 ? -7.657 17.415 26.732 1.00 17.55 ? 84 PRO A CD 1 ATOM 658 N N . ARG A 1 85 ? -9.432 19.722 22.900 1.00 20.90 ? 85 ARG A N 1 ATOM 659 C CA . ARG A 1 85 ? -10.720 20.211 22.347 1.00 13.72 ? 85 ARG A CA 1 ATOM 660 C C . ARG A 1 85 ? -10.331 20.998 21.060 1.00 11.74 ? 85 ARG A C 1 ATOM 661 O O . ARG A 1 85 ? -9.150 21.211 20.789 1.00 11.70 ? 85 ARG A O 1 ATOM 662 C CB . ARG A 1 85 ? -11.443 21.135 23.366 1.00 14.95 ? 85 ARG A CB 1 ATOM 663 C CG . ARG A 1 85 ? -10.685 22.376 23.892 1.00 16.21 ? 85 ARG A CG 1 ATOM 664 C CD . ARG A 1 85 ? -11.580 23.557 24.274 1.00 18.51 ? 85 ARG A CD 1 ATOM 665 N NE . ARG A 1 85 ? -12.289 24.115 23.128 1.00 15.30 ? 85 ARG A NE 1 ATOM 666 C CZ . ARG A 1 85 ? -13.589 24.167 22.993 1.00 13.04 ? 85 ARG A CZ 1 ATOM 667 N NH1 . ARG A 1 85 ? -14.074 24.738 21.901 1.00 12.37 ? 85 ARG A NH1 1 ATOM 668 N NH2 . ARG A 1 85 ? -14.395 23.711 23.935 1.00 16.85 ? 85 ARG A NH2 1 ATOM 669 N N . PRO A 1 86 ? -11.299 21.560 20.335 1.00 9.19 ? 86 PRO A N 1 ATOM 670 C CA . PRO A 1 86 ? -10.914 22.487 19.267 1.00 7.44 ? 86 PRO A CA 1 ATOM 671 C C . PRO A 1 86 ? -10.005 23.566 19.835 1.00 7.28 ? 86 PRO A C 1 ATOM 672 O O . PRO A 1 86 ? -10.277 24.169 20.864 1.00 8.56 ? 86 PRO A O 1 ATOM 673 C CB . PRO A 1 86 ? -12.277 23.011 18.780 1.00 7.75 ? 86 PRO A CB 1 ATOM 674 C CG . PRO A 1 86 ? -13.210 21.851 19.027 1.00 8.69 ? 86 PRO A CG 1 ATOM 675 C CD . PRO A 1 86 ? -12.759 21.294 20.346 1.00 9.11 ? 86 PRO A CD 1 ATOM 676 N N . GLY A 1 87 ? -8.883 23.797 19.141 1.00 6.53 ? 87 GLY A N 1 ATOM 677 C CA . GLY A 1 87 ? -7.924 24.822 19.545 1.00 7.05 ? 87 GLY A CA 1 ATOM 678 C C . GLY A 1 87 ? -6.918 24.430 20.602 1.00 7.86 ? 87 GLY A C 1 ATOM 679 O O . GLY A 1 87 ? -6.025 25.244 20.870 1.00 8.92 ? 87 GLY A O 1 ATOM 680 N N . CYS A 1 88 ? -7.028 23.228 21.190 1.00 7.86 ? 88 CYS A N 1 ATOM 681 C CA . CYS A 1 88 ? -6.101 22.831 22.260 1.00 8.58 ? 88 CYS A CA 1 ATOM 682 C C . CYS A 1 88 ? -5.784 21.343 22.138 1.00 8.45 ? 88 CYS A C 1 ATOM 683 O O . CYS A 1 88 ? -6.563 20.484 22.538 1.00 9.55 ? 88 CYS A O 1 ATOM 684 C CB . CYS A 1 88 ? -6.729 23.135 23.620 1.00 9.64 ? 88 CYS A CB 1 ATOM 685 S SG . CYS A 1 88 ? -5.617 22.798 25.021 1.00 11.01 ? 88 CYS A SG 1 ATOM 686 N N . ASN A 1 89 ? -4.606 21.087 21.556 1.00 8.43 ? 89 ASN A N 1 ATOM 687 C CA . ASN A 1 89 ? -4.174 19.744 21.241 1.00 8.68 ? 89 ASN A CA 1 ATOM 688 C C . ASN A 1 89 ? -2.642 19.669 21.352 1.00 9.37 ? 89 ASN A C 1 ATOM 689 O O . ASN A 1 89 ? -1.959 20.663 21.193 1.00 11.22 ? 89 ASN A O 1 ATOM 690 C CB . ASN A 1 89 ? -4.617 19.349 19.833 1.00 9.28 ? 89 ASN A CB 1 ATOM 691 C CG . ASN A 1 89 ? -6.113 19.370 19.687 1.00 9.23 ? 89 ASN A CG 1 ATOM 692 O OD1 . ASN A 1 89 ? -6.781 18.367 19.942 1.00 11.16 ? 89 ASN A OD1 1 ATOM 693 N ND2 . ASN A 1 89 ? -6.643 20.478 19.247 1.00 8.98 ? 89 ASN A ND2 1 ATOM 694 N N . ASN A 1 90 ? -2.113 18.480 21.596 1.00 10.30 ? 90 ASN A N 1 ATOM 695 C CA . ASN A 1 90 ? -0.686 18.315 21.651 1.00 10.47 ? 90 ASN A CA 1 ATOM 696 C C . ASN A 1 90 ? -0.107 17.976 20.299 1.00 10.13 ? 90 ASN A C 1 ATOM 697 O O . ASN A 1 90 ? -0.794 17.472 19.400 1.00 10.66 ? 90 ASN A O 1 ATOM 698 C CB . ASN A 1 90 ? -0.319 17.265 22.720 1.00 12.98 ? 90 ASN A CB 1 ATOM 699 C CG . ASN A 1 90 ? -0.350 17.849 24.121 1.00 14.16 ? 90 ASN A CG 1 ATOM 700 O OD1 . ASN A 1 90 ? -0.335 19.075 24.324 1.00 17.82 ? 90 ASN A OD1 1 ATOM 701 N ND2 . ASN A 1 90 ? -0.419 16.976 25.069 1.00 19.93 ? 90 ASN A ND2 1 ATOM 702 N N . ASN A 1 91 ? 1.178 18.208 20.154 1.00 9.96 ? 91 ASN A N 1 ATOM 703 C CA . ASN A 1 91 ? 1.913 17.875 18.917 1.00 10.13 ? 91 ASN A CA 1 ATOM 704 C C . ASN A 1 91 ? 1.175 18.414 17.688 1.00 8.98 ? 91 ASN A C 1 ATOM 705 O O . ASN A 1 91 ? 1.004 17.706 16.701 1.00 9.66 ? 91 ASN A O 1 ATOM 706 C CB . ASN A 1 91 ? 2.163 16.381 18.808 1.00 11.78 ? 91 ASN A CB 1 ATOM 707 C CG . ASN A 1 91 ? 3.106 16.080 17.699 1.00 15.15 ? 91 ASN A CG 1 ATOM 708 O OD1 . ASN A 1 91 ? 4.088 16.830 17.459 1.00 17.15 ? 91 ASN A OD1 1 ATOM 709 N ND2 . ASN A 1 91 ? 2.829 15.012 16.992 1.00 19.38 ? 91 ASN A ND2 1 ATOM 710 N N . THR A 1 92 ? 0.741 19.656 17.761 1.00 7.95 ? 92 THR A N 1 ATOM 711 C CA . THR A 1 92 ? -0.090 20.265 16.731 1.00 7.37 ? 92 THR A CA 1 ATOM 712 C C . THR A 1 92 ? 0.633 21.390 16.057 1.00 6.84 ? 92 THR A C 1 ATOM 713 O O . THR A 1 92 ? 1.275 22.228 16.672 1.00 7.65 ? 92 THR A O 1 ATOM 714 C CB . THR A 1 92 ? -1.441 20.691 17.384 1.00 8.12 ? 92 THR A CB 1 ATOM 715 O OG1 . THR A 1 92 ? -2.133 19.511 17.789 1.00 9.95 ? 92 THR A OG1 1 ATOM 716 C CG2 . THR A 1 92 ? -2.333 21.412 16.394 1.00 8.70 ? 92 THR A CG2 1 ATOM 717 N N . CYS A 1 93 ? 0.502 21.416 14.745 1.00 6.71 ? 93 CYS A N 1 ATOM 718 C CA . CYS A 1 93 ? 1.033 22.464 13.895 1.00 6.55 ? 93 CYS A CA 1 ATOM 719 C C . CYS A 1 93 ? 0.461 23.807 14.317 1.00 5.89 ? 93 CYS A C 1 ATOM 720 O O . CYS A 1 93 ? -0.740 23.898 14.603 1.00 6.68 ? 93 CYS A O 1 ATOM 721 C CB . CYS A 1 93 ? 0.617 22.137 12.456 1.00 7.66 ? 93 CYS A CB 1 ATOM 722 S SG . CYS A 1 93 ? 1.365 23.156 11.209 1.00 9.67 ? 93 CYS A SG 1 ATOM 723 N N . GLY A 1 94 ? 1.311 24.834 14.325 1.00 6.19 ? 94 GLY A N 1 ATOM 724 C CA . GLY A 1 94 ? 0.907 26.157 14.704 1.00 6.41 ? 94 GLY A CA 1 ATOM 725 C C . GLY A 1 94 ? 1.241 27.181 13.657 1.00 5.84 ? 94 GLY A C 1 ATOM 726 O O . GLY A 1 94 ? 2.173 27.031 12.858 1.00 6.59 ? 94 GLY A O 1 ATOM 727 N N . VAL A 1 95 ? 0.442 28.249 13.675 1.00 5.54 ? 95 VAL A N 1 ATOM 728 C CA . VAL A 1 95 ? 0.632 29.444 12.850 1.00 5.45 ? 95 VAL A CA 1 ATOM 729 C C . VAL A 1 95 ? 0.337 30.669 13.741 1.00 5.43 ? 95 VAL A C 1 ATOM 730 O O . VAL A 1 95 ? 0.027 30.523 14.913 1.00 5.89 ? 95 VAL A O 1 ATOM 731 C CB . VAL A 1 95 ? -0.254 29.432 11.583 1.00 5.93 ? 95 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 95 ? 0.173 28.370 10.598 1.00 6.54 ? 95 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 95 ? -1.731 29.276 11.953 1.00 6.73 ? 95 VAL A CG2 1 ATOM 734 N N . PHE A 1 96 ? 0.427 31.849 13.150 1.00 5.99 ? 96 PHE A N 1 ATOM 735 C CA . PHE A 1 96 ? 0.117 33.091 13.850 1.00 6.41 ? 96 PHE A CA 1 ATOM 736 C C . PHE A 1 96 ? -0.998 33.823 13.138 1.00 5.94 ? 96 PHE A C 1 ATOM 737 O O . PHE A 1 96 ? -0.771 34.721 12.320 1.00 7.50 ? 96 PHE A O 1 ATOM 738 C CB . PHE A 1 96 ? 1.354 34.022 13.944 1.00 7.35 ? 96 PHE A CB 1 ATOM 739 C CG . PHE A 1 96 ? 2.414 33.488 14.816 1.00 8.00 ? 96 PHE A CG 1 ATOM 740 C CD1 . PHE A 1 96 ? 3.473 32.753 14.311 1.00 9.31 ? 96 PHE A CD1 1 ATOM 741 C CD2 . PHE A 1 96 ? 2.359 33.689 16.185 1.00 9.67 ? 96 PHE A CD2 1 ATOM 742 C CE1 . PHE A 1 96 ? 4.444 32.239 15.154 1.00 11.64 ? 96 PHE A CE1 1 ATOM 743 C CE2 . PHE A 1 96 ? 3.356 33.215 17.008 1.00 11.83 ? 96 PHE A CE2 1 ATOM 744 C CZ . PHE A 1 96 ? 4.389 32.489 16.487 1.00 11.43 ? 96 PHE A CZ 1 ATOM 745 N N . PRO A 1 97 ? -2.262 33.471 13.432 1.00 5.58 ? 97 PRO A N 1 ATOM 746 C CA . PRO A 1 97 ? -3.366 34.290 12.915 1.00 5.46 ? 97 PRO A CA 1 ATOM 747 C C . PRO A 1 97 ? -3.187 35.746 13.321 1.00 5.70 ? 97 PRO A C 1 ATOM 748 O O . PRO A 1 97 ? -2.723 36.063 14.431 1.00 6.38 ? 97 PRO A O 1 ATOM 749 C CB . PRO A 1 97 ? -4.610 33.650 13.581 1.00 5.86 ? 97 PRO A CB 1 ATOM 750 C CG . PRO A 1 97 ? -4.079 32.989 14.822 1.00 5.87 ? 97 PRO A CG 1 ATOM 751 C CD . PRO A 1 97 ? -2.747 32.429 14.346 1.00 5.66 ? 97 PRO A CD 1 ATOM 752 N N . GLU A 1 98 ? -3.577 36.625 12.408 1.00 6.06 ? 98 GLU A N 1 ATOM 753 C CA A GLU A 1 98 ? -3.414 38.045 12.580 0.50 6.34 ? 98 GLU A CA 1 ATOM 754 C CA B GLU A 1 98 ? -3.408 38.039 12.559 0.50 6.36 ? 98 GLU A CA 1 ATOM 755 C C . GLU A 1 98 ? -4.723 38.792 12.441 1.00 5.84 ? 98 GLU A C 1 ATOM 756 O O . GLU A 1 98 ? -5.538 38.501 11.563 1.00 6.51 ? 98 GLU A O 1 ATOM 757 C CB A GLU A 1 98 ? -2.420 38.632 11.543 0.50 7.81 ? 98 GLU A CB 1 ATOM 758 C CB B GLU A 1 98 ? -2.486 38.562 11.437 0.50 7.88 ? 98 GLU A CB 1 ATOM 759 C CG A GLU A 1 98 ? -1.049 38.002 11.641 0.50 8.83 ? 98 GLU A CG 1 ATOM 760 C CG B GLU A 1 98 ? -2.280 40.070 11.419 0.50 8.92 ? 98 GLU A CG 1 ATOM 761 C CD A GLU A 1 98 ? 0.036 38.589 10.789 0.50 8.79 ? 98 GLU A CD 1 ATOM 762 C CD B GLU A 1 98 ? -1.450 40.519 10.266 0.50 11.92 ? 98 GLU A CD 1 ATOM 763 O OE1 A GLU A 1 98 ? -0.207 39.488 9.998 0.50 10.20 ? 98 GLU A OE1 1 ATOM 764 O OE1 B GLU A 1 98 ? -0.595 39.752 9.841 0.50 17.01 ? 98 GLU A OE1 1 ATOM 765 O OE2 A GLU A 1 98 ? 1.136 38.018 10.895 0.50 9.46 ? 98 GLU A OE2 1 ATOM 766 O OE2 B GLU A 1 98 ? -1.675 41.658 9.805 0.50 18.34 ? 98 GLU A OE2 1 ATOM 767 N N . ASN A 1 99 ? -4.890 39.809 13.286 1.00 6.39 ? 99 ASN A N 1 ATOM 768 C CA . ASN A 1 99 ? -5.960 40.773 13.177 1.00 6.29 ? 99 ASN A CA 1 ATOM 769 C C . ASN A 1 99 ? -5.311 42.083 12.733 1.00 6.58 ? 99 ASN A C 1 ATOM 770 O O . ASN A 1 99 ? -4.683 42.777 13.531 1.00 7.75 ? 99 ASN A O 1 ATOM 771 C CB . ASN A 1 99 ? -6.679 40.941 14.491 1.00 6.91 ? 99 ASN A CB 1 ATOM 772 C CG . ASN A 1 99 ? -7.760 42.001 14.461 1.00 7.22 ? 99 ASN A CG 1 ATOM 773 O OD1 . ASN A 1 99 ? -7.724 42.901 13.612 1.00 9.62 ? 99 ASN A OD1 1 ATOM 774 N ND2 . ASN A 1 99 ? -8.709 41.912 15.382 1.00 7.38 ? 99 ASN A ND2 1 ATOM 775 N N . PRO A 1 100 ? -5.416 42.418 11.439 1.00 6.80 ? 100 PRO A N 1 ATOM 776 C CA . PRO A 1 100 ? -4.728 43.587 10.917 1.00 8.05 ? 100 PRO A CA 1 ATOM 777 C C . PRO A 1 100 ? -5.437 44.887 11.282 1.00 8.65 ? 100 PRO A C 1 ATOM 778 O O . PRO A 1 100 ? -4.879 45.960 11.079 1.00 12.07 ? 100 PRO A O 1 ATOM 779 C CB . PRO A 1 100 ? -4.764 43.356 9.400 1.00 8.39 ? 100 PRO A CB 1 ATOM 780 C CG . PRO A 1 100 ? -6.062 42.604 9.185 1.00 8.24 ? 100 PRO A CG 1 ATOM 781 C CD . PRO A 1 100 ? -6.131 41.692 10.371 1.00 7.90 ? 100 PRO A CD 1 ATOM 782 N N . VAL A 1 101 ? -6.657 44.829 11.771 1.00 8.41 ? 101 VAL A N 1 ATOM 783 C CA . VAL A 1 101 ? -7.374 46.035 12.218 1.00 9.98 ? 101 VAL A CA 1 ATOM 784 C C . VAL A 1 101 ? -6.695 46.606 13.472 1.00 11.36 ? 101 VAL A C 1 ATOM 785 O O . VAL A 1 101 ? -6.548 47.815 13.598 1.00 16.15 ? 101 VAL A O 1 ATOM 786 C CB . VAL A 1 101 ? -8.874 45.735 12.466 1.00 9.76 ? 101 VAL A CB 1 ATOM 787 C CG1 . VAL A 1 101 ? -9.614 46.905 13.072 1.00 12.07 ? 101 VAL A CG1 1 ATOM 788 C CG2 . VAL A 1 101 ? -9.518 45.300 11.176 1.00 10.56 ? 101 VAL A CG2 1 ATOM 789 N N . ILE A 1 102 ? -6.198 45.736 14.367 1.00 11.28 ? 102 ILE A N 1 ATOM 790 C CA . ILE A 1 102 ? -5.495 46.082 15.623 1.00 13.71 ? 102 ILE A CA 1 ATOM 791 C C . ILE A 1 102 ? -3.998 45.828 15.505 1.00 13.62 ? 102 ILE A C 1 ATOM 792 O O . ILE A 1 102 ? -3.271 46.115 16.408 1.00 18.78 ? 102 ILE A O 1 ATOM 793 C CB . ILE A 1 102 ? -6.087 45.324 16.860 1.00 14.32 ? 102 ILE A CB 1 ATOM 794 C CG1 . ILE A 1 102 ? -5.879 43.821 16.761 1.00 12.79 ? 102 ILE A CG1 1 ATOM 795 C CG2 . ILE A 1 102 ? -7.545 45.674 17.060 1.00 16.75 ? 102 ILE A CG2 1 ATOM 796 C CD1 . ILE A 1 102 ? -6.391 42.994 17.923 1.00 15.57 ? 102 ILE A CD1 1 ATOM 797 N N . ASN A 1 103 ? -3.510 45.321 14.383 1.00 12.09 ? 103 ASN A N 1 ATOM 798 C CA . ASN A 1 103 ? -2.121 45.015 14.157 1.00 13.61 ? 103 ASN A CA 1 ATOM 799 C C . ASN A 1 103 ? -1.545 44.101 15.222 1.00 13.74 ? 103 ASN A C 1 ATOM 800 O O . ASN A 1 103 ? -0.528 44.362 15.838 1.00 18.64 ? 103 ASN A O 1 ATOM 801 C CB . ASN A 1 103 ? -1.279 46.248 13.998 1.00 15.85 ? 103 ASN A CB 1 ATOM 802 C CG . ASN A 1 103 ? 0.083 45.920 13.430 1.00 22.67 ? 103 ASN A CG 1 ATOM 803 O OD1 . ASN A 1 103 ? 0.281 44.894 12.780 1.00 29.42 ? 103 ASN A OD1 1 ATOM 804 N ND2 . ASN A 1 103 ? 1.023 46.770 13.680 1.00 32.73 ? 103 ASN A ND2 1 ATOM 805 N N . THR A 1 104 ? -2.206 42.973 15.410 1.00 12.28 ? 104 THR A N 1 ATOM 806 C CA . THR A 1 104 ? -1.806 41.983 16.403 1.00 13.01 ? 104 THR A CA 1 ATOM 807 C C . THR A 1 104 ? -1.844 40.630 15.784 1.00 11.44 ? 104 THR A C 1 ATOM 808 O O . THR A 1 104 ? -2.753 40.312 15.054 1.00 11.47 ? 104 THR A O 1 ATOM 809 C CB . THR A 1 104 ? -2.791 41.969 17.629 1.00 15.04 ? 104 THR A CB 1 ATOM 810 O OG1 . THR A 1 104 ? -2.721 43.248 18.289 1.00 19.74 ? 104 THR A OG1 1 ATOM 811 C CG2 . THR A 1 104 ? -2.461 40.855 18.624 1.00 20.32 ? 104 THR A CG2 1 ATOM 812 N N . ALA A 1 105 ? -0.920 39.762 16.150 1.00 11.52 ? 105 ALA A N 1 ATOM 813 C CA . ALA A 1 105 ? -0.967 38.360 15.860 1.00 10.46 ? 105 ALA A CA 1 ATOM 814 C C . ALA A 1 105 ? -0.726 37.563 17.150 1.00 9.95 ? 105 ALA A C 1 ATOM 815 O O . ALA A 1 105 ? -0.129 38.074 18.104 1.00 13.84 ? 105 ALA A O 1 ATOM 816 C CB . ALA A 1 105 ? 0.068 38.029 14.823 1.00 14.78 ? 105 ALA A CB 1 ATOM 817 N N . THR A 1 106 ? -1.173 36.325 17.161 1.00 7.82 ? 106 THR A N 1 ATOM 818 C CA . THR A 1 106 ? -0.963 35.461 18.287 1.00 7.70 ? 106 THR A CA 1 ATOM 819 C C . THR A 1 106 ? -0.951 34.028 17.796 1.00 6.84 ? 106 THR A C 1 ATOM 820 O O . THR A 1 106 ? -1.430 33.731 16.705 1.00 8.00 ? 106 THR A O 1 ATOM 821 C CB . THR A 1 106 ? -2.062 35.680 19.328 1.00 9.72 ? 106 THR A CB 1 ATOM 822 O OG1 . THR A 1 106 ? -1.646 35.137 20.580 1.00 12.36 ? 106 THR A OG1 1 ATOM 823 C CG2 . THR A 1 106 ? -3.385 35.116 18.888 1.00 10.80 ? 106 THR A CG2 1 ATOM 824 N N . GLY A 1 107 ? -0.393 33.099 18.568 1.00 6.62 ? 107 GLY A N 1 ATOM 825 C CA . GLY A 1 107 ? -0.351 31.737 18.141 1.00 6.73 ? 107 GLY A CA 1 ATOM 826 C C . GLY A 1 107 ? -1.699 31.066 18.088 1.00 6.63 ? 107 GLY A C 1 ATOM 827 O O . GLY A 1 107 ? -2.559 31.242 18.960 1.00 8.39 ? 107 GLY A O 1 ATOM 828 N N . GLY A 1 108 ? -1.898 30.260 17.061 1.00 5.93 ? 108 GLY A N 1 ATOM 829 C CA . GLY A 1 108 ? -3.081 29.431 16.892 1.00 6.78 ? 108 GLY A CA 1 ATOM 830 C C . GLY A 1 108 ? -2.723 28.102 16.299 1.00 5.83 ? 108 GLY A C 1 ATOM 831 O O . GLY A 1 108 ? -1.783 27.960 15.545 1.00 6.76 ? 108 GLY A O 1 ATOM 832 N N . GLU A 1 109 ? -3.547 27.101 16.617 1.00 5.93 ? 109 GLU A N 1 ATOM 833 C CA . GLU A 1 109 ? -3.353 25.788 16.028 1.00 5.55 ? 109 GLU A CA 1 ATOM 834 C C . GLU A 1 109 ? -3.939 25.689 14.639 1.00 5.13 ? 109 GLU A C 1 ATOM 835 O O . GLU A 1 109 ? -5.016 26.197 14.374 1.00 6.91 ? 109 GLU A O 1 ATOM 836 C CB . GLU A 1 109 ? -4.064 24.725 16.882 1.00 6.36 ? 109 GLU A CB 1 ATOM 837 C CG . GLU A 1 109 ? -3.457 24.563 18.250 1.00 6.89 ? 109 GLU A CG 1 ATOM 838 C CD . GLU A 1 109 ? -4.085 23.422 19.059 1.00 7.51 ? 109 GLU A CD 1 ATOM 839 O OE1 . GLU A 1 109 ? -5.023 22.754 18.565 1.00 7.84 ? 109 GLU A OE1 1 ATOM 840 O OE2 . GLU A 1 109 ? -3.591 23.254 20.197 1.00 8.59 ? 109 GLU A OE2 1 ATOM 841 N N . VAL A 1 110 ? -3.299 24.903 13.799 1.00 5.12 ? 110 VAL A N 1 ATOM 842 C CA . VAL A 1 110 ? -3.850 24.511 12.521 1.00 5.11 ? 110 VAL A CA 1 ATOM 843 C C . VAL A 1 110 ? -4.821 23.341 12.728 1.00 4.87 ? 110 VAL A C 1 ATOM 844 O O . VAL A 1 110 ? -4.572 22.453 13.552 1.00 5.51 ? 110 VAL A O 1 ATOM 845 C CB . VAL A 1 110 ? -2.727 24.169 11.531 1.00 5.51 ? 110 VAL A CB 1 ATOM 846 C CG1 . VAL A 1 110 ? -3.286 23.838 10.151 1.00 6.29 ? 110 VAL A CG1 1 ATOM 847 C CG2 . VAL A 1 110 ? -1.737 25.335 11.418 1.00 7.01 ? 110 VAL A CG2 1 ATOM 848 N N . ALA A 1 111 ? -5.906 23.334 11.953 1.00 4.93 ? 111 ALA A N 1 ATOM 849 C CA . ALA A 1 111 ? -6.952 22.352 12.060 1.00 5.04 ? 111 ALA A CA 1 ATOM 850 C C . ALA A 1 111 ? -7.589 22.140 10.704 1.00 4.87 ? 111 ALA A C 1 ATOM 851 O O . ALA A 1 111 ? -7.391 22.903 9.768 1.00 5.32 ? 111 ALA A O 1 ATOM 852 C CB . ALA A 1 111 ? -7.999 22.814 13.064 1.00 6.84 ? 111 ALA A CB 1 ATOM 853 N N . GLU A 1 112 ? -8.397 21.080 10.633 1.00 5.28 ? 112 GLU A N 1 ATOM 854 C CA . GLU A 1 112 ? -9.277 20.811 9.517 1.00 5.56 ? 112 GLU A CA 1 ATOM 855 C C . GLU A 1 112 ? -10.711 20.739 10.012 1.00 5.33 ? 112 GLU A C 1 ATOM 856 O O . GLU A 1 112 ? -10.972 20.189 11.085 1.00 6.01 ? 112 GLU A O 1 ATOM 857 C CB . GLU A 1 112 ? -8.936 19.480 8.839 1.00 7.05 ? 112 GLU A CB 1 ATOM 858 C CG . GLU A 1 112 ? -7.595 19.487 8.156 1.00 8.51 ? 112 GLU A CG 1 ATOM 859 C CD . GLU A 1 112 ? -7.090 18.096 7.851 1.00 10.88 ? 112 GLU A CD 1 ATOM 860 O OE1 . GLU A 1 112 ? -7.298 17.156 8.654 1.00 16.62 ? 112 GLU A OE1 1 ATOM 861 O OE2 . GLU A 1 112 ? -6.525 17.873 6.778 1.00 16.28 ? 112 GLU A OE2 1 ATOM 862 N N . ASP A 1 113 ? -11.650 21.207 9.206 1.00 4.98 ? 113 ASP A N 1 ATOM 863 C CA . ASP A 1 113 ? -13.064 20.954 9.449 1.00 5.11 ? 113 ASP A CA 1 ATOM 864 C C . ASP A 1 113 ? -13.809 21.117 8.143 1.00 5.07 ? 113 ASP A C 1 ATOM 865 O O . ASP A 1 113 ? -13.265 21.592 7.148 1.00 5.67 ? 113 ASP A O 1 ATOM 866 C CB . ASP A 1 113 ? -13.610 21.880 10.570 1.00 5.17 ? 113 ASP A CB 1 ATOM 867 C CG . ASP A 1 113 ? -14.766 21.268 11.380 1.00 5.32 ? 113 ASP A CG 1 ATOM 868 O OD1 . ASP A 1 113 ? -15.435 20.329 10.877 1.00 6.10 ? 113 ASP A OD1 1 ATOM 869 O OD2 . ASP A 1 113 ? -15.000 21.758 12.495 1.00 5.97 ? 113 ASP A OD2 1 ATOM 870 N N . VAL A 1 114 ? -15.087 20.725 8.165 1.00 5.48 ? 114 VAL A N 1 ATOM 871 C CA A VAL A 1 114 ? -15.963 20.888 7.010 0.50 5.63 ? 114 VAL A CA 1 ATOM 872 C CA B VAL A 1 114 ? -15.931 20.898 6.984 0.50 5.89 ? 114 VAL A CA 1 ATOM 873 C C . VAL A 1 114 ? -16.261 22.362 6.774 1.00 5.51 ? 114 VAL A C 1 ATOM 874 O O . VAL A 1 114 ? -16.650 23.071 7.717 1.00 5.91 ? 114 VAL A O 1 ATOM 875 C CB A VAL A 1 114 ? -17.315 20.194 7.311 0.50 6.65 ? 114 VAL A CB 1 ATOM 876 C CB B VAL A 1 114 ? -17.186 19.995 7.015 0.50 7.68 ? 114 VAL A CB 1 ATOM 877 C CG1 A VAL A 1 114 ? -18.329 20.482 6.208 0.50 10.49 ? 114 VAL A CG1 1 ATOM 878 C CG1 B VAL A 1 114 ? -18.030 20.259 8.204 0.50 7.73 ? 114 VAL A CG1 1 ATOM 879 C CG2 A VAL A 1 114 ? -17.149 18.701 7.527 0.50 7.03 ? 114 VAL A CG2 1 ATOM 880 C CG2 B VAL A 1 114 ? -18.007 20.153 5.723 0.50 9.85 ? 114 VAL A CG2 1 ATOM 881 N N . VAL A 1 115 ? -16.111 22.815 5.527 1.00 5.79 ? 115 VAL A N 1 ATOM 882 C CA . VAL A 1 115 ? -16.550 24.130 5.076 1.00 5.79 ? 115 VAL A CA 1 ATOM 883 C C . VAL A 1 115 ? -17.508 23.934 3.920 1.00 5.94 ? 115 VAL A C 1 ATOM 884 O O . VAL A 1 115 ? -17.238 23.135 3.032 1.00 7.27 ? 115 VAL A O 1 ATOM 885 C CB . VAL A 1 115 ? -15.342 25.016 4.701 1.00 6.21 ? 115 VAL A CB 1 ATOM 886 C CG1 . VAL A 1 115 ? -15.769 26.261 3.909 1.00 7.18 ? 115 VAL A CG1 1 ATOM 887 C CG2 . VAL A 1 115 ? -14.580 25.402 5.961 1.00 6.82 ? 115 VAL A CG2 1 ATOM 888 N N . SER A 1 116 ? -18.622 24.664 3.933 1.00 6.23 ? 116 SER A N 1 ATOM 889 C CA . SER A 1 116 ? -19.696 24.531 2.947 1.00 7.27 ? 116 SER A CA 1 ATOM 890 C C . SER A 1 116 ? -20.086 25.923 2.461 1.00 6.58 ? 116 SER A C 1 ATOM 891 O O . SER A 1 116 ? -20.305 26.812 3.268 1.00 7.35 ? 116 SER A O 1 ATOM 892 C CB . SER A 1 116 ? -20.929 23.845 3.685 1.00 8.51 ? 116 SER A CB 1 ATOM 893 O OG . SER A 1 116 ? -22.009 23.685 2.833 1.00 12.39 ? 116 SER A OG 1 ATOM 894 N N . VAL A 1 117 ? -20.192 26.060 1.131 1.00 6.92 ? 117 VAL A N 1 ATOM 895 C CA . VAL A 1 117 ? -20.534 27.328 0.482 1.00 6.77 ? 117 VAL A CA 1 ATOM 896 C C . VAL A 1 117 ? -21.350 27.007 -0.768 1.00 6.57 ? 117 VAL A C 1 ATOM 897 O O . VAL A 1 117 ? -21.398 25.874 -1.243 1.00 7.74 ? 117 VAL A O 1 ATOM 898 C CB . VAL A 1 117 ? -19.304 28.184 0.118 1.00 8.20 ? 117 VAL A CB 1 ATOM 899 C CG1 . VAL A 1 117 ? -18.560 28.657 1.373 1.00 8.41 ? 117 VAL A CG1 1 ATOM 900 C CG2 . VAL A 1 117 ? -18.375 27.451 -0.808 1.00 11.17 ? 117 VAL A CG2 1 ATOM 901 N N . GLU A 1 118 ? -21.939 28.039 -1.347 1.00 6.84 ? 118 GLU A N 1 ATOM 902 C CA . GLU A 1 118 ? -22.700 27.901 -2.576 1.00 6.67 ? 118 GLU A CA 1 ATOM 903 C C . GLU A 1 118 ? -21.806 27.879 -3.791 1.00 6.82 ? 118 GLU A C 1 ATOM 904 O O . GLU A 1 118 ? -20.909 28.711 -3.969 1.00 7.19 ? 118 GLU A O 1 ATOM 905 C CB . GLU A 1 118 ? -23.678 29.065 -2.754 1.00 7.43 ? 118 GLU A CB 1 ATOM 906 C CG . GLU A 1 118 ? -24.735 29.133 -1.682 1.00 9.18 ? 118 GLU A CG 1 ATOM 907 C CD . GLU A 1 118 ? -25.638 30.326 -1.841 1.00 9.35 ? 118 GLU A CD 1 ATOM 908 O OE1 . GLU A 1 118 ? -25.455 31.171 -2.710 1.00 10.50 ? 118 GLU A OE1 1 ATOM 909 O OE2 . GLU A 1 118 ? -26.587 30.394 -1.006 1.00 12.96 ? 118 GLU A OE2 1 ATOM 910 N N . SER A 1 119 ? -22.098 26.948 -4.710 1.00 7.05 ? 119 SER A N 1 ATOM 911 C CA . SER A 1 119 ? -21.585 27.036 -6.066 1.00 7.41 ? 119 SER A CA 1 ATOM 912 C C . SER A 1 119 ? -22.342 28.147 -6.828 1.00 7.61 ? 119 SER A C 1 ATOM 913 O O . SER A 1 119 ? -23.373 28.633 -6.408 1.00 9.05 ? 119 SER A O 1 ATOM 914 C CB . SER A 1 119 ? -21.743 25.707 -6.796 1.00 8.60 ? 119 SER A CB 1 ATOM 915 O OG . SER A 1 119 ? -23.084 25.386 -7.063 1.00 10.52 ? 119 SER A OG 1 ATOM 916 N N . THR A 1 120 ? -21.784 28.524 -7.983 1.00 8.33 ? 120 THR A N 1 ATOM 917 C CA . THR A 1 120 ? -22.456 29.439 -8.877 1.00 8.45 ? 120 THR A CA 1 ATOM 918 C C . THR A 1 120 ? -22.070 29.137 -10.308 1.00 8.82 ? 120 THR A C 1 ATOM 919 O O . THR A 1 120 ? -20.975 28.689 -10.620 1.00 9.68 ? 120 THR A O 1 ATOM 920 C CB . THR A 1 120 ? -22.117 30.931 -8.532 1.00 8.56 ? 120 THR A CB 1 ATOM 921 O OG1 . THR A 1 120 ? -22.894 31.801 -9.344 1.00 9.21 ? 120 THR A OG1 1 ATOM 922 C CG2 . THR A 1 120 ? -20.660 31.308 -8.726 1.00 8.87 ? 120 THR A CG2 1 ATOM 923 N N . ASP A 1 121 ? -22.983 29.511 -11.186 1.00 10.13 ? 121 ASP A N 1 ATOM 924 C CA . ASP A 1 121 ? -22.763 29.581 -12.633 1.00 11.77 ? 121 ASP A CA 1 ATOM 925 C C . ASP A 1 121 ? -22.241 30.959 -13.068 1.00 11.49 ? 121 ASP A C 1 ATOM 926 O O . ASP A 1 121 ? -22.030 31.189 -14.266 1.00 15.56 ? 121 ASP A O 1 ATOM 927 C CB . ASP A 1 121 ? -24.038 29.267 -13.423 1.00 14.14 ? 121 ASP A CB 1 ATOM 928 C CG . ASP A 1 121 ? -25.185 30.281 -13.173 1.00 15.01 ? 121 ASP A CG 1 ATOM 929 O OD1 . ASP A 1 121 ? -25.072 31.157 -12.295 1.00 13.12 ? 121 ASP A OD1 1 ATOM 930 O OD2 . ASP A 1 121 ? -26.223 30.111 -13.853 1.00 21.23 ? 121 ASP A OD2 1 ATOM 931 N N . GLY A 1 122 ? -22.023 31.865 -12.116 1.00 10.81 ? 122 GLY A N 1 ATOM 932 C CA . GLY A 1 122 ? -21.627 33.233 -12.405 1.00 11.35 ? 122 GLY A CA 1 ATOM 933 C C . GLY A 1 122 ? -22.746 34.249 -12.400 1.00 11.17 ? 122 GLY A C 1 ATOM 934 O O . GLY A 1 122 ? -22.473 35.440 -12.426 1.00 11.77 ? 122 GLY A O 1 ATOM 935 N N . SER A 1 123 ? -23.998 33.768 -12.357 1.00 11.13 ? 123 SER A N 1 ATOM 936 C CA A SER A 1 123 ? -25.178 34.655 -12.402 0.50 11.91 ? 123 SER A CA 1 ATOM 937 C CA B SER A 1 123 ? -25.160 34.633 -12.406 0.50 12.09 ? 123 SER A CA 1 ATOM 938 C C . SER A 1 123 ? -26.093 34.524 -11.200 1.00 10.55 ? 123 SER A C 1 ATOM 939 O O . SER A 1 123 ? -26.757 35.482 -10.837 1.00 12.43 ? 123 SER A O 1 ATOM 940 C CB A SER A 1 123 ? -26.016 34.434 -13.675 0.50 12.41 ? 123 SER A CB 1 ATOM 941 C CB B SER A 1 123 ? -25.894 34.295 -13.686 0.50 12.90 ? 123 SER A CB 1 ATOM 942 O OG A SER A 1 123 ? -25.280 34.616 -14.882 0.50 14.36 ? 123 SER A OG 1 ATOM 943 O OG B SER A 1 123 ? -27.014 35.096 -13.854 0.50 16.29 ? 123 SER A OG 1 ATOM 944 N N . SER A 1 124 ? -26.144 33.359 -10.562 1.00 10.40 ? 124 SER A N 1 ATOM 945 C CA . SER A 1 124 ? -27.032 33.232 -9.423 1.00 11.03 ? 124 SER A CA 1 ATOM 946 C C . SER A 1 124 ? -26.476 32.213 -8.446 1.00 10.00 ? 124 SER A C 1 ATOM 947 O O . SER A 1 124 ? -25.560 31.433 -8.760 1.00 11.18 ? 124 SER A O 1 ATOM 948 C CB . SER A 1 124 ? -28.433 32.828 -9.859 1.00 13.88 ? 124 SER A CB 1 ATOM 949 O OG . SER A 1 124 ? -28.487 31.560 -10.353 1.00 17.05 ? 124 SER A OG 1 ATOM 950 N N . SER A 1 125 ? -27.017 32.192 -7.249 1.00 10.56 ? 125 SER A N 1 ATOM 951 C CA . SER A 1 125 ? -26.694 31.216 -6.232 1.00 10.04 ? 125 SER A CA 1 ATOM 952 C C . SER A 1 125 ? -27.078 29.820 -6.657 1.00 10.58 ? 125 SER A C 1 ATOM 953 O O . SER A 1 125 ? -28.189 29.582 -7.088 1.00 14.59 ? 125 SER A O 1 ATOM 954 C CB . SER A 1 125 ? -27.453 31.549 -4.957 1.00 10.95 ? 125 SER A CB 1 ATOM 955 O OG . SER A 1 125 ? -26.908 32.717 -4.360 1.00 11.02 ? 125 SER A OG 1 ATOM 956 N N . GLY A 1 126 ? -26.167 28.865 -6.529 1.00 10.16 ? 126 GLY A N 1 ATOM 957 C CA . GLY A 1 126 ? -26.406 27.489 -6.857 1.00 11.73 ? 126 GLY A CA 1 ATOM 958 C C . GLY A 1 126 ? -26.277 26.549 -5.689 1.00 10.49 ? 126 GLY A C 1 ATOM 959 O O . GLY A 1 126 ? -26.188 26.956 -4.541 1.00 10.80 ? 126 GLY A O 1 ATOM 960 N N . ARG A 1 127 ? -26.202 25.273 -6.019 1.00 10.27 ? 127 ARG A N 1 ATOM 961 C CA . ARG A 1 127 ? -26.198 24.215 -5.034 1.00 10.72 ? 127 ARG A CA 1 ATOM 962 C C . ARG A 1 127 ? -24.984 24.291 -4.116 1.00 8.95 ? 127 ARG A C 1 ATOM 963 O O . ARG A 1 127 ? -23.897 24.642 -4.532 1.00 9.18 ? 127 ARG A O 1 ATOM 964 C CB . ARG A 1 127 ? -26.288 22.850 -5.694 1.00 13.51 ? 127 ARG A CB 1 ATOM 965 C CG . ARG A 1 127 ? -24.996 22.291 -6.257 1.00 21.46 ? 127 ARG A CG 1 ATOM 966 C CD . ARG A 1 127 ? -24.661 22.539 -7.739 1.00 26.48 ? 127 ARG A CD 1 ATOM 967 N NE . ARG A 1 127 ? -23.211 22.689 -8.038 1.00 25.41 ? 127 ARG A NE 1 ATOM 968 C CZ . ARG A 1 127 ? -22.283 21.768 -7.788 1.00 27.09 ? 127 ARG A CZ 1 ATOM 969 N NH1 . ARG A 1 127 ? -21.064 22.058 -8.115 1.00 25.24 ? 127 ARG A NH1 1 ATOM 970 N NH2 . ARG A 1 127 ? -22.525 20.555 -7.242 1.00 17.33 ? 127 ARG A NH2 1 ATOM 971 N N . VAL A 1 128 ? -25.167 23.897 -2.882 1.00 9.70 ? 128 VAL A N 1 ATOM 972 C CA . VAL A 1 128 ? -24.088 23.929 -1.895 1.00 9.29 ? 128 VAL A CA 1 ATOM 973 C C . VAL A 1 128 ? -23.089 22.799 -2.189 1.00 8.80 ? 128 VAL A C 1 ATOM 974 O O . VAL A 1 128 ? -23.452 21.696 -2.592 1.00 10.69 ? 128 VAL A O 1 ATOM 975 C CB . VAL A 1 128 ? -24.677 23.839 -0.479 1.00 12.46 ? 128 VAL A CB 1 ATOM 976 C CG1 . VAL A 1 128 ? -23.716 23.349 0.553 1.00 16.38 ? 128 VAL A CG1 1 ATOM 977 C CG2 . VAL A 1 128 ? -25.384 25.121 -0.097 1.00 15.88 ? 128 VAL A CG2 1 ATOM 978 N N . VAL A 1 129 ? -21.823 23.111 -1.947 1.00 7.55 ? 129 VAL A N 1 ATOM 979 C CA . VAL A 1 129 ? -20.696 22.228 -2.103 1.00 7.63 ? 129 VAL A CA 1 ATOM 980 C C . VAL A 1 129 ? -19.839 22.298 -0.857 1.00 7.72 ? 129 VAL A C 1 ATOM 981 O O . VAL A 1 129 ? -19.902 23.283 -0.112 1.00 8.43 ? 129 VAL A O 1 ATOM 982 C CB . VAL A 1 129 ? -19.874 22.553 -3.375 1.00 8.56 ? 129 VAL A CB 1 ATOM 983 C CG1 . VAL A 1 129 ? -20.699 22.278 -4.634 1.00 10.55 ? 129 VAL A CG1 1 ATOM 984 C CG2 . VAL A 1 129 ? -19.407 24.012 -3.353 1.00 9.51 ? 129 VAL A CG2 1 ATOM 985 N N . THR A 1 130 ? -19.031 21.269 -0.624 1.00 7.93 ? 130 THR A N 1 ATOM 986 C CA A THR A 1 130 ? -18.331 21.114 0.622 0.50 8.26 ? 130 THR A CA 1 ATOM 987 C CA B THR A 1 130 ? -18.267 21.224 0.597 0.50 8.26 ? 130 THR A CA 1 ATOM 988 C C . THR A 1 130 ? -16.850 20.742 0.390 1.00 7.83 ? 130 THR A C 1 ATOM 989 O O . THR A 1 130 ? -16.527 20.005 -0.528 1.00 9.45 ? 130 THR A O 1 ATOM 990 C CB A THR A 1 130 ? -19.058 20.045 1.494 0.50 10.76 ? 130 THR A CB 1 ATOM 991 C CB B THR A 1 130 ? -18.864 20.352 1.711 0.50 10.89 ? 130 THR A CB 1 ATOM 992 O OG1 A THR A 1 130 ? -20.424 20.393 1.637 0.50 14.94 ? 130 THR A OG1 1 ATOM 993 O OG1 B THR A 1 130 ? -18.530 19.002 1.440 0.50 14.30 ? 130 THR A OG1 1 ATOM 994 C CG2 A THR A 1 130 ? -18.541 19.973 2.862 0.50 13.68 ? 130 THR A CG2 1 ATOM 995 C CG2 B THR A 1 130 ? -20.328 20.514 1.831 0.50 13.57 ? 130 THR A CG2 1 ATOM 996 N N . VAL A 1 131 ? -16.000 21.228 1.311 1.00 7.65 ? 131 VAL A N 1 ATOM 997 C CA . VAL A 1 131 ? -14.615 20.793 1.486 1.00 7.52 ? 131 VAL A CA 1 ATOM 998 C C . VAL A 1 131 ? -14.581 20.093 2.849 1.00 7.18 ? 131 VAL A C 1 ATOM 999 O O . VAL A 1 131 ? -14.639 20.767 3.877 1.00 7.22 ? 131 VAL A O 1 ATOM 1000 C CB . VAL A 1 131 ? -13.635 21.970 1.442 1.00 6.97 ? 131 VAL A CB 1 ATOM 1001 C CG1 . VAL A 1 131 ? -12.224 21.452 1.611 1.00 7.84 ? 131 VAL A CG1 1 ATOM 1002 C CG2 . VAL A 1 131 ? -13.801 22.779 0.154 1.00 8.66 ? 131 VAL A CG2 1 ATOM 1003 N N . PRO A 1 132 ? -14.519 18.757 2.887 1.00 7.65 ? 132 PRO A N 1 ATOM 1004 C CA . PRO A 1 132 ? -14.661 18.075 4.170 1.00 7.74 ? 132 PRO A CA 1 ATOM 1005 C C . PRO A 1 132 ? -13.517 18.310 5.162 1.00 7.06 ? 132 PRO A C 1 ATOM 1006 O O . PRO A 1 132 ? -13.742 18.217 6.372 1.00 7.65 ? 132 PRO A O 1 ATOM 1007 C CB . PRO A 1 132 ? -14.757 16.600 3.763 1.00 10.24 ? 132 PRO A CB 1 ATOM 1008 C CG . PRO A 1 132 ? -15.368 16.646 2.389 1.00 13.54 ? 132 PRO A CG 1 ATOM 1009 C CD . PRO A 1 132 ? -14.679 17.818 1.763 1.00 9.64 ? 132 PRO A CD 1 ATOM 1010 N N . ARG A 1 133 ? -12.307 18.576 4.657 1.00 6.61 ? 133 ARG A N 1 ATOM 1011 C CA . ARG A 1 133 ? -11.132 18.752 5.496 1.00 6.32 ? 133 ARG A CA 1 ATOM 1012 C C . ARG A 1 133 ? -10.451 20.055 5.088 1.00 6.13 ? 133 ARG A C 1 ATOM 1013 O O . ARG A 1 133 ? -9.287 20.079 4.680 1.00 8.98 ? 133 ARG A O 1 ATOM 1014 C CB . ARG A 1 133 ? -10.191 17.564 5.433 1.00 7.61 ? 133 ARG A CB 1 ATOM 1015 C CG . ARG A 1 133 ? -10.804 16.289 5.938 1.00 9.48 ? 133 ARG A CG 1 ATOM 1016 C CD . ARG A 1 133 ? -9.856 15.118 5.915 1.00 11.78 ? 133 ARG A CD 1 ATOM 1017 N NE . ARG A 1 133 ? -8.637 15.251 6.664 1.00 18.98 ? 133 ARG A NE 1 ATOM 1018 C CZ . ARG A 1 133 ? -7.894 14.245 7.076 1.00 26.31 ? 133 ARG A CZ 1 ATOM 1019 N NH1 . ARG A 1 133 ? -8.283 12.998 6.820 1.00 42.24 ? 133 ARG A NH1 1 ATOM 1020 N NH2 . ARG A 1 133 ? -6.798 14.502 7.775 1.00 28.73 ? 133 ARG A NH2 1 ATOM 1021 N N . PHE A 1 134 ? -11.156 21.157 5.220 1.00 5.69 ? 134 PHE A N 1 ATOM 1022 C CA . PHE A 1 134 ? -10.621 22.496 4.912 1.00 5.44 ? 134 PHE A CA 1 ATOM 1023 C C . PHE A 1 134 ? -9.645 22.897 6.010 1.00 4.98 ? 134 PHE A C 1 ATOM 1024 O O . PHE A 1 134 ? -10.002 22.869 7.206 1.00 5.65 ? 134 PHE A O 1 ATOM 1025 C CB . PHE A 1 134 ? -11.789 23.475 4.819 1.00 5.36 ? 134 PHE A CB 1 ATOM 1026 C CG . PHE A 1 134 ? -11.403 24.820 4.263 1.00 5.19 ? 134 PHE A CG 1 ATOM 1027 C CD1 . PHE A 1 134 ? -10.829 25.790 5.061 1.00 5.61 ? 134 PHE A CD1 1 ATOM 1028 C CD2 . PHE A 1 134 ? -11.628 25.144 2.952 1.00 6.46 ? 134 PHE A CD2 1 ATOM 1029 C CE1 . PHE A 1 134 ? -10.465 27.024 4.559 1.00 5.94 ? 134 PHE A CE1 1 ATOM 1030 C CE2 . PHE A 1 134 ? -11.267 26.384 2.431 1.00 7.04 ? 134 PHE A CE2 1 ATOM 1031 C CZ . PHE A 1 134 ? -10.687 27.314 3.230 1.00 6.43 ? 134 PHE A CZ 1 ATOM 1032 N N . ILE A 1 135 ? -8.415 23.246 5.627 1.00 4.79 ? 135 ILE A N 1 ATOM 1033 C CA . ILE A 1 135 ? -7.362 23.604 6.566 1.00 4.96 ? 135 ILE A CA 1 ATOM 1034 C C . ILE A 1 135 ? -7.510 25.062 6.947 1.00 4.68 ? 135 ILE A C 1 ATOM 1035 O O . ILE A 1 135 ? -7.589 25.948 6.061 1.00 5.18 ? 135 ILE A O 1 ATOM 1036 C CB . ILE A 1 135 ? -5.967 23.357 5.934 1.00 5.54 ? 135 ILE A CB 1 ATOM 1037 C CG1 . ILE A 1 135 ? -5.813 21.896 5.507 1.00 6.24 ? 135 ILE A CG1 1 ATOM 1038 C CG2 . ILE A 1 135 ? -4.887 23.748 6.910 1.00 6.62 ? 135 ILE A CG2 1 ATOM 1039 C CD1 . ILE A 1 135 ? -4.643 21.687 4.552 1.00 8.76 ? 135 ILE A CD1 1 ATOM 1040 N N . PHE A 1 136 ? -7.497 25.352 8.248 1.00 4.79 ? 136 PHE A N 1 ATOM 1041 C CA . PHE A 1 136 ? -7.669 26.702 8.763 1.00 4.70 ? 136 PHE A CA 1 ATOM 1042 C C . PHE A 1 136 ? -6.916 26.840 10.057 1.00 4.52 ? 136 PHE A C 1 ATOM 1043 O O . PHE A 1 136 ? -6.385 25.851 10.595 1.00 5.12 ? 136 PHE A O 1 ATOM 1044 C CB . PHE A 1 136 ? -9.175 27.063 8.910 1.00 4.89 ? 136 PHE A CB 1 ATOM 1045 C CG . PHE A 1 136 ? -9.849 26.367 10.059 1.00 4.89 ? 136 PHE A CG 1 ATOM 1046 C CD1 . PHE A 1 136 ? -10.097 27.068 11.238 1.00 5.08 ? 136 PHE A CD1 1 ATOM 1047 C CD2 . PHE A 1 136 ? -10.208 25.013 9.995 1.00 5.64 ? 136 PHE A CD2 1 ATOM 1048 C CE1 . PHE A 1 136 ? -10.663 26.458 12.340 1.00 5.54 ? 136 PHE A CE1 1 ATOM 1049 C CE2 . PHE A 1 136 ? -10.765 24.417 11.115 1.00 6.28 ? 136 PHE A CE2 1 ATOM 1050 C CZ . PHE A 1 136 ? -11.001 25.117 12.279 1.00 6.13 ? 136 PHE A CZ 1 ATOM 1051 N N . SER A 1 137 ? -6.869 28.052 10.589 1.00 4.48 ? 137 SER A N 1 ATOM 1052 C CA . SER A 1 137 ? -6.256 28.313 11.881 1.00 4.80 ? 137 SER A CA 1 ATOM 1053 C C . SER A 1 137 ? -7.312 28.599 12.928 1.00 4.51 ? 137 SER A C 1 ATOM 1054 O O . SER A 1 137 ? -8.222 29.390 12.736 1.00 5.00 ? 137 SER A O 1 ATOM 1055 C CB . SER A 1 137 ? -5.336 29.521 11.788 1.00 5.60 ? 137 SER A CB 1 ATOM 1056 O OG . SER A 1 137 ? -4.666 29.821 13.001 1.00 7.17 ? 137 SER A OG 1 ATOM 1057 N N . CYS A 1 138 ? -7.100 28.008 14.103 1.00 4.97 ? 138 CYS A N 1 ATOM 1058 C CA . CYS A 1 138 ? -7.789 28.413 15.291 1.00 5.21 ? 138 CYS A CA 1 ATOM 1059 C C . CYS A 1 138 ? -7.150 29.712 15.833 1.00 5.60 ? 138 CYS A C 1 ATOM 1060 O O . CYS A 1 138 ? -6.008 30.059 15.481 1.00 6.59 ? 138 CYS A O 1 ATOM 1061 C CB . CYS A 1 138 ? -7.744 27.327 16.353 1.00 6.41 ? 138 CYS A CB 1 ATOM 1062 S SG . CYS A 1 138 ? -8.812 25.904 15.943 1.00 7.22 ? 138 CYS A SG 1 ATOM 1063 N N . ALA A 1 139 ? -7.886 30.410 16.659 1.00 5.64 ? 139 ALA A N 1 ATOM 1064 C CA . ALA A 1 139 ? -7.427 31.620 17.279 1.00 5.82 ? 139 ALA A CA 1 ATOM 1065 C C . ALA A 1 139 ? -8.144 31.752 18.619 1.00 5.85 ? 139 ALA A C 1 ATOM 1066 O O . ALA A 1 139 ? -9.207 31.148 18.837 1.00 6.92 ? 139 ALA A O 1 ATOM 1067 C CB . ALA A 1 139 ? -7.817 32.825 16.413 1.00 7.34 ? 139 ALA A CB 1 ATOM 1068 N N . PRO A 1 140 ? -7.609 32.584 19.525 1.00 6.43 ? 140 PRO A N 1 ATOM 1069 C CA . PRO A 1 140 ? -8.306 32.884 20.770 1.00 6.68 ? 140 PRO A CA 1 ATOM 1070 C C . PRO A 1 140 ? -9.334 33.988 20.571 1.00 5.89 ? 140 PRO A C 1 ATOM 1071 O O . PRO A 1 140 ? -9.199 34.822 19.672 1.00 6.18 ? 140 PRO A O 1 ATOM 1072 C CB . PRO A 1 140 ? -7.175 33.355 21.683 1.00 7.83 ? 140 PRO A CB 1 ATOM 1073 C CG . PRO A 1 140 ? -6.239 34.013 20.739 1.00 8.87 ? 140 PRO A CG 1 ATOM 1074 C CD . PRO A 1 140 ? -6.300 33.224 19.439 1.00 7.30 ? 140 PRO A CD 1 ATOM 1075 N N . THR A 1 141 ? -10.308 34.030 21.472 1.00 5.70 ? 141 THR A N 1 ATOM 1076 C CA . THR A 1 141 ? -11.347 35.014 21.416 1.00 5.62 ? 141 THR A CA 1 ATOM 1077 C C . THR A 1 141 ? -10.783 36.448 21.424 1.00 5.39 ? 141 THR A C 1 ATOM 1078 O O . THR A 1 141 ? -11.323 37.336 20.759 1.00 5.73 ? 141 THR A O 1 ATOM 1079 C CB . THR A 1 141 ? -12.309 34.810 22.595 1.00 5.95 ? 141 THR A CB 1 ATOM 1080 O OG1 . THR A 1 141 ? -12.722 33.452 22.630 1.00 6.72 ? 141 THR A OG1 1 ATOM 1081 C CG2 . THR A 1 141 ? -13.470 35.740 22.587 1.00 6.71 ? 141 THR A CG2 1 ATOM 1082 N N . SER A 1 142 ? -9.714 36.685 22.173 1.00 5.78 ? 142 SER A N 1 ATOM 1083 C CA . SER A 1 142 ? -9.151 38.017 22.237 1.00 6.30 ? 142 SER A CA 1 ATOM 1084 C C . SER A 1 142 ? -8.710 38.559 20.886 1.00 6.09 ? 142 SER A C 1 ATOM 1085 O O . SER A 1 142 ? -8.634 39.778 20.703 1.00 7.14 ? 142 SER A O 1 ATOM 1086 C CB . SER A 1 142 ? -7.960 38.038 23.189 1.00 8.24 ? 142 SER A CB 1 ATOM 1087 O OG . SER A 1 142 ? -6.986 37.106 22.831 1.00 13.12 ? 142 SER A OG 1 ATOM 1088 N N . LEU A 1 143 ? -8.366 37.695 19.933 1.00 5.80 ? 143 LEU A N 1 ATOM 1089 C CA . LEU A 1 143 ? -7.904 38.165 18.617 1.00 5.75 ? 143 LEU A CA 1 ATOM 1090 C C . LEU A 1 143 ? -9.040 38.821 17.851 1.00 5.70 ? 143 LEU A C 1 ATOM 1091 O O . LEU A 1 143 ? -8.774 39.504 16.857 1.00 6.29 ? 143 LEU A O 1 ATOM 1092 C CB . LEU A 1 143 ? -7.252 37.027 17.847 1.00 5.99 ? 143 LEU A CB 1 ATOM 1093 C CG . LEU A 1 143 ? -6.414 37.457 16.641 1.00 6.64 ? 143 LEU A CG 1 ATOM 1094 C CD1 . LEU A 1 143 ? -5.215 38.306 17.031 1.00 8.12 ? 143 LEU A CD1 1 ATOM 1095 C CD2 . LEU A 1 143 ? -5.990 36.232 15.860 1.00 7.29 ? 143 LEU A CD2 1 ATOM 1096 N N . LEU A 1 144 ? -10.283 38.603 18.258 1.00 5.41 ? 144 LEU A N 1 ATOM 1097 C CA . LEU A 1 144 ? -11.423 39.227 17.605 1.00 5.46 ? 144 LEU A CA 1 ATOM 1098 C C . LEU A 1 144 ? -11.602 40.709 17.931 1.00 5.35 ? 144 LEU A C 1 ATOM 1099 O O . LEU A 1 144 ? -12.500 41.344 17.386 1.00 5.96 ? 144 LEU A O 1 ATOM 1100 C CB . LEU A 1 144 ? -12.734 38.489 17.982 1.00 5.69 ? 144 LEU A CB 1 ATOM 1101 C CG . LEU A 1 144 ? -12.819 37.019 17.567 1.00 5.47 ? 144 LEU A CG 1 ATOM 1102 C CD1 . LEU A 1 144 ? -14.006 36.380 18.264 1.00 6.62 ? 144 LEU A CD1 1 ATOM 1103 C CD2 . LEU A 1 144 ? -12.916 36.886 16.063 1.00 6.55 ? 144 LEU A CD2 1 ATOM 1104 N N . GLN A 1 145 ? -10.786 41.254 18.838 1.00 5.81 ? 145 GLN A N 1 ATOM 1105 C CA . GLN A 1 145 ? -10.965 42.617 19.288 1.00 6.02 ? 145 GLN A CA 1 ATOM 1106 C C . GLN A 1 145 ? -11.105 43.565 18.099 1.00 5.97 ? 145 GLN A C 1 ATOM 1107 O O . GLN A 1 145 ? -10.341 43.526 17.141 1.00 6.49 ? 145 GLN A O 1 ATOM 1108 C CB . GLN A 1 145 ? -9.763 43.025 20.130 1.00 7.06 ? 145 GLN A CB 1 ATOM 1109 C CG . GLN A 1 145 ? -9.960 44.340 20.830 1.00 8.61 ? 145 GLN A CG 1 ATOM 1110 C CD . GLN A 1 145 ? -8.678 44.762 21.494 1.00 11.00 ? 145 GLN A CD 1 ATOM 1111 O OE1 . GLN A 1 145 ? -8.594 44.908 22.665 1.00 22.38 ? 145 GLN A OE1 1 ATOM 1112 N NE2 . GLN A 1 145 ? -7.667 44.946 20.725 1.00 20.70 ? 145 GLN A NE2 1 ATOM 1113 N N . ASN A 1 146 ? -12.099 44.466 18.200 1.00 6.33 ? 146 ASN A N 1 ATOM 1114 C CA . ASN A 1 146 ? -12.341 45.523 17.238 1.00 6.93 ? 146 ASN A CA 1 ATOM 1115 C C . ASN A 1 146 ? -12.847 45.027 15.885 1.00 6.80 ? 146 ASN A C 1 ATOM 1116 O O . ASN A 1 146 ? -13.035 45.826 14.974 1.00 8.82 ? 146 ASN A O 1 ATOM 1117 C CB . ASN A 1 146 ? -11.173 46.473 17.085 1.00 8.05 ? 146 ASN A CB 1 ATOM 1118 C CG . ASN A 1 146 ? -10.997 47.338 18.306 1.00 11.88 ? 146 ASN A CG 1 ATOM 1119 O OD1 . ASN A 1 146 ? -11.816 47.413 19.195 1.00 18.42 ? 146 ASN A OD1 1 ATOM 1120 N ND2 . ASN A 1 146 ? -9.865 47.974 18.379 1.00 26.07 ? 146 ASN A ND2 1 ATOM 1121 N N . LEU A 1 147 ? -13.168 43.742 15.755 1.00 6.38 ? 147 LEU A N 1 ATOM 1122 C CA . LEU A 1 147 ? -13.863 43.267 14.578 1.00 6.29 ? 147 LEU A CA 1 ATOM 1123 C C . LEU A 1 147 ? -15.364 43.475 14.761 1.00 6.98 ? 147 LEU A C 1 ATOM 1124 O O . LEU A 1 147 ? -15.879 43.543 15.882 1.00 8.17 ? 147 LEU A O 1 ATOM 1125 C CB . LEU A 1 147 ? -13.522 41.790 14.281 1.00 5.79 ? 147 LEU A CB 1 ATOM 1126 C CG . LEU A 1 147 ? -12.049 41.509 14.037 1.00 6.07 ? 147 LEU A CG 1 ATOM 1127 C CD1 . LEU A 1 147 ? -11.901 40.057 13.634 1.00 7.32 ? 147 LEU A CD1 1 ATOM 1128 C CD2 . LEU A 1 147 ? -11.419 42.430 13.012 1.00 7.46 ? 147 LEU A CD2 1 ATOM 1129 N N . ALA A 1 148 ? -16.073 43.556 13.634 1.00 6.88 ? 148 ALA A N 1 ATOM 1130 C CA . ALA A 1 148 ? -17.506 43.788 13.609 1.00 7.60 ? 148 ALA A CA 1 ATOM 1131 C C . ALA A 1 148 ? -18.262 42.828 14.530 1.00 7.71 ? 148 ALA A C 1 ATOM 1132 O O . ALA A 1 148 ? -17.915 41.673 14.754 1.00 8.50 ? 148 ALA A O 1 ATOM 1133 C CB . ALA A 1 148 ? -18.010 43.640 12.175 1.00 8.92 ? 148 ALA A CB 1 ATOM 1134 N N . SER A 1 149 ? -19.363 43.356 15.062 1.00 8.65 ? 149 SER A N 1 ATOM 1135 C CA . SER A 1 149 ? -20.216 42.556 15.947 1.00 10.23 ? 149 SER A CA 1 ATOM 1136 C C . SER A 1 149 ? -20.620 41.308 15.239 1.00 10.13 ? 149 SER A C 1 ATOM 1137 O O . SER A 1 149 ? -21.028 41.368 14.079 1.00 11.48 ? 149 SER A O 1 ATOM 1138 C CB . SER A 1 149 ? -21.450 43.351 16.306 1.00 12.30 ? 149 SER A CB 1 ATOM 1139 O OG . SER A 1 149 ? -22.190 42.704 17.274 1.00 20.55 ? 149 SER A OG 1 ATOM 1140 N N . GLY A 1 150 ? -20.590 40.213 15.974 1.00 11.52 ? 150 GLY A N 1 ATOM 1141 C CA . GLY A 1 150 ? -21.066 38.959 15.482 1.00 13.29 ? 150 GLY A CA 1 ATOM 1142 C C . GLY A 1 150 ? -20.099 38.119 14.680 1.00 11.29 ? 150 GLY A C 1 ATOM 1143 O O . GLY A 1 150 ? -20.424 36.991 14.351 1.00 15.85 ? 150 GLY A O 1 ATOM 1144 N N . VAL A 1 151 ? -18.913 38.622 14.395 1.00 8.14 ? 151 VAL A N 1 ATOM 1145 C CA . VAL A 1 151 ? -17.971 37.805 13.619 1.00 8.01 ? 151 VAL A CA 1 ATOM 1146 C C . VAL A 1 151 ? -17.242 36.846 14.553 1.00 8.50 ? 151 VAL A C 1 ATOM 1147 O O . VAL A 1 151 ? -17.033 37.102 15.739 1.00 11.83 ? 151 VAL A O 1 ATOM 1148 C CB . VAL A 1 151 ? -17.004 38.603 12.829 1.00 9.87 ? 151 VAL A CB 1 ATOM 1149 C CG1 . VAL A 1 151 ? -17.662 39.593 11.901 1.00 9.18 ? 151 VAL A CG1 1 ATOM 1150 C CG2 . VAL A 1 151 ? -16.021 39.187 13.661 1.00 10.34 ? 151 VAL A CG2 1 ATOM 1151 N N . VAL A 1 152 ? -16.800 35.719 13.968 1.00 6.54 ? 152 VAL A N 1 ATOM 1152 C CA . VAL A 1 152 ? -16.060 34.709 14.688 1.00 6.48 ? 152 VAL A CA 1 ATOM 1153 C C . VAL A 1 152 ? -14.652 34.494 14.111 1.00 4.92 ? 152 VAL A C 1 ATOM 1154 O O . VAL A 1 152 ? -13.963 33.581 14.549 1.00 5.39 ? 152 VAL A O 1 ATOM 1155 C CB . VAL A 1 152 ? -16.828 33.365 14.786 1.00 7.96 ? 152 VAL A CB 1 ATOM 1156 C CG1 . VAL A 1 152 ? -18.073 33.530 15.679 1.00 10.97 ? 152 VAL A CG1 1 ATOM 1157 C CG2 . VAL A 1 152 ? -17.140 32.806 13.450 1.00 8.93 ? 152 VAL A CG2 1 ATOM 1158 N N . GLY A 1 153 ? -14.235 35.316 13.160 1.00 4.61 ? 153 GLY A N 1 ATOM 1159 C CA . GLY A 1 153 ? -12.926 35.169 12.583 1.00 4.77 ? 153 GLY A CA 1 ATOM 1160 C C . GLY A 1 153 ? -12.747 36.037 11.367 1.00 4.34 ? 153 GLY A C 1 ATOM 1161 O O . GLY A 1 153 ? -13.490 36.996 11.156 1.00 4.82 ? 153 GLY A O 1 ATOM 1162 N N . MET A 1 154 ? -11.739 35.661 10.574 1.00 4.43 ? 154 MET A N 1 ATOM 1163 C CA . MET A 1 154 ? -11.370 36.409 9.383 1.00 4.52 ? 154 MET A CA 1 ATOM 1164 C C . MET A 1 154 ? -11.189 35.446 8.231 1.00 4.44 ? 154 MET A C 1 ATOM 1165 O O . MET A 1 154 ? -10.677 34.336 8.370 1.00 5.25 ? 154 MET A O 1 ATOM 1166 C CB . MET A 1 154 ? -10.114 37.235 9.580 1.00 5.36 ? 154 MET A CB 1 ATOM 1167 C CG . MET A 1 154 ? -10.298 38.220 10.711 1.00 5.56 ? 154 MET A CG 1 ATOM 1168 S SD . MET A 1 154 ? -8.963 39.456 10.782 1.00 6.58 ? 154 MET A SD 1 ATOM 1169 C CE . MET A 1 154 ? -9.608 40.655 9.597 1.00 7.50 ? 154 MET A CE 1 ATOM 1170 N N . ALA A 1 155 ? -11.607 35.904 7.053 1.00 4.20 ? 155 ALA A N 1 ATOM 1171 C CA . ALA A 1 155 ? -11.468 35.171 5.794 1.00 4.67 ? 155 ALA A CA 1 ATOM 1172 C C . ALA A 1 155 ? -10.274 35.759 5.035 1.00 4.42 ? 155 ALA A C 1 ATOM 1173 O O . ALA A 1 155 ? -10.395 36.765 4.331 1.00 5.18 ? 155 ALA A O 1 ATOM 1174 C CB . ALA A 1 155 ? -12.739 35.261 4.975 1.00 5.72 ? 155 ALA A CB 1 ATOM 1175 N N . GLY A 1 156 ? -9.119 35.108 5.177 1.00 4.75 ? 156 GLY A N 1 ATOM 1176 C CA . GLY A 1 156 ? -7.928 35.512 4.472 1.00 4.82 ? 156 GLY A CA 1 ATOM 1177 C C . GLY A 1 156 ? -7.957 35.057 3.015 1.00 4.59 ? 156 GLY A C 1 ATOM 1178 O O . GLY A 1 156 ? -8.201 33.880 2.738 1.00 5.29 ? 156 GLY A O 1 ATOM 1179 N N . LEU A 1 157 ? -7.716 36.014 2.120 1.00 4.29 ? 157 LEU A N 1 ATOM 1180 C CA . LEU A 1 157 ? -7.756 35.763 0.675 1.00 4.44 ? 157 LEU A CA 1 ATOM 1181 C C . LEU A 1 157 ? -6.383 35.917 0.037 1.00 4.82 ? 157 LEU A C 1 ATOM 1182 O O . LEU A 1 157 ? -6.317 36.039 -1.203 1.00 5.52 ? 157 LEU A O 1 ATOM 1183 C CB . LEU A 1 157 ? -8.765 36.656 -0.036 1.00 4.90 ? 157 LEU A CB 1 ATOM 1184 C CG . LEU A 1 157 ? -10.150 36.805 0.609 1.00 5.26 ? 157 LEU A CG 1 ATOM 1185 C CD1 . LEU A 1 157 ? -10.995 37.732 -0.244 1.00 6.22 ? 157 LEU A CD1 1 ATOM 1186 C CD2 . LEU A 1 157 ? -10.820 35.458 0.815 1.00 6.17 ? 157 LEU A CD2 1 ATOM 1187 N N . GLY A 1 158 ? -5.320 35.920 0.831 1.00 4.71 ? 158 GLY A N 1 ATOM 1188 C CA . GLY A 1 158 ? -3.992 36.180 0.345 1.00 4.85 ? 158 GLY A CA 1 ATOM 1189 C C . GLY A 1 158 ? -3.374 35.034 -0.392 1.00 5.10 ? 158 GLY A C 1 ATOM 1190 O O . GLY A 1 158 ? -3.969 33.990 -0.667 1.00 6.22 ? 158 GLY A O 1 ATOM 1191 N N . ARG A 1 159 ? -2.092 35.215 -0.744 1.00 5.63 ? 159 ARG A N 1 ATOM 1192 C CA . ARG A 1 159 ? -1.381 34.354 -1.652 1.00 6.55 ? 159 ARG A CA 1 ATOM 1193 C C . ARG A 1 159 ? -0.657 33.242 -0.869 1.00 7.61 ? 159 ARG A C 1 ATOM 1194 O O . ARG A 1 159 ? 0.574 33.234 -0.636 1.00 10.45 ? 159 ARG A O 1 ATOM 1195 C CB . ARG A 1 159 ? -0.415 35.167 -2.511 1.00 6.97 ? 159 ARG A CB 1 ATOM 1196 C CG . ARG A 1 159 ? -1.133 36.221 -3.333 1.00 7.31 ? 159 ARG A CG 1 ATOM 1197 C CD . ARG A 1 159 ? -0.244 37.324 -3.803 1.00 7.48 ? 159 ARG A CD 1 ATOM 1198 N NE . ARG A 1 159 ? 0.682 36.879 -4.809 1.00 8.03 ? 159 ARG A NE 1 ATOM 1199 C CZ . ARG A 1 159 ? 1.498 37.711 -5.437 1.00 8.64 ? 159 ARG A CZ 1 ATOM 1200 N NH1 . ARG A 1 159 ? 2.271 37.271 -6.404 1.00 10.44 ? 159 ARG A NH1 1 ATOM 1201 N NH2 . ARG A 1 159 ? 1.579 38.980 -5.077 1.00 7.99 ? 159 ARG A NH2 1 ATOM 1202 N N . THR A 1 160 ? -1.444 32.360 -0.339 1.00 6.66 ? 160 THR A N 1 ATOM 1203 C CA . THR A 1 160 ? -0.966 31.142 0.308 1.00 6.54 ? 160 THR A CA 1 ATOM 1204 C C . THR A 1 160 ? -1.786 29.973 -0.237 1.00 6.25 ? 160 THR A C 1 ATOM 1205 O O . THR A 1 160 ? -2.860 30.144 -0.793 1.00 7.67 ? 160 THR A O 1 ATOM 1206 C CB . THR A 1 160 ? -1.118 31.172 1.844 1.00 6.39 ? 160 THR A CB 1 ATOM 1207 O OG1 . THR A 1 160 ? -2.485 30.939 2.134 1.00 7.81 ? 160 THR A OG1 1 ATOM 1208 C CG2 . THR A 1 160 ? -0.603 32.430 2.423 1.00 8.46 ? 160 THR A CG2 1 ATOM 1209 N N . ARG A 1 161 ? -1.323 28.747 0.017 1.00 6.36 ? 161 ARG A N 1 ATOM 1210 C CA . ARG A 1 161 ? -2.061 27.566 -0.484 1.00 7.04 ? 161 ARG A CA 1 ATOM 1211 C C . ARG A 1 161 ? -3.324 27.276 0.292 1.00 6.57 ? 161 ARG A C 1 ATOM 1212 O O . ARG A 1 161 ? -4.223 26.607 -0.215 1.00 8.11 ? 161 ARG A O 1 ATOM 1213 C CB . ARG A 1 161 ? -1.190 26.357 -0.513 1.00 8.16 ? 161 ARG A CB 1 ATOM 1214 C CG . ARG A 1 161 ? -0.096 26.482 -1.558 1.00 9.57 ? 161 ARG A CG 1 ATOM 1215 C CD . ARG A 1 161 ? 0.778 25.326 -1.705 1.00 10.16 ? 161 ARG A CD 1 ATOM 1216 N NE . ARG A 1 161 ? 0.108 24.168 -2.254 1.00 10.33 ? 161 ARG A NE 1 ATOM 1217 C CZ . ARG A 1 161 ? 0.711 23.012 -2.405 1.00 11.31 ? 161 ARG A CZ 1 ATOM 1218 N NH1 . ARG A 1 161 ? 2.001 22.866 -2.067 1.00 11.62 ? 161 ARG A NH1 1 ATOM 1219 N NH2 . ARG A 1 161 ? 0.031 22.019 -2.938 1.00 13.14 ? 161 ARG A NH2 1 ATOM 1220 N N . ILE A 1 162 ? -3.423 27.765 1.554 1.00 6.49 ? 162 ILE A N 1 ATOM 1221 C CA . ILE A 1 162 ? -4.566 27.486 2.372 1.00 6.31 ? 162 ILE A CA 1 ATOM 1222 C C . ILE A 1 162 ? -5.549 28.640 2.452 1.00 5.67 ? 162 ILE A C 1 ATOM 1223 O O . ILE A 1 162 ? -6.670 28.445 2.934 1.00 6.09 ? 162 ILE A O 1 ATOM 1224 C CB . ILE A 1 162 ? -4.235 26.901 3.760 1.00 6.33 ? 162 ILE A CB 1 ATOM 1225 C CG1 . ILE A 1 162 ? -3.461 27.868 4.640 1.00 7.46 ? 162 ILE A CG1 1 ATOM 1226 C CG2 . ILE A 1 162 ? -3.504 25.552 3.605 1.00 8.43 ? 162 ILE A CG2 1 ATOM 1227 C CD1 . ILE A 1 162 ? -3.476 27.474 6.106 1.00 9.18 ? 162 ILE A CD1 1 ATOM 1228 N N . ALA A 1 163 ? -5.195 29.821 1.973 1.00 5.60 ? 163 ALA A N 1 ATOM 1229 C CA . ALA A 1 163 ? -6.167 30.914 1.892 1.00 5.43 ? 163 ALA A CA 1 ATOM 1230 C C . ALA A 1 163 ? -7.342 30.469 1.022 1.00 5.39 ? 163 ALA A C 1 ATOM 1231 O O . ALA A 1 163 ? -7.222 29.583 0.182 1.00 6.20 ? 163 ALA A O 1 ATOM 1232 C CB . ALA A 1 163 ? -5.494 32.161 1.336 1.00 6.41 ? 163 ALA A CB 1 ATOM 1233 N N . LEU A 1 164 ? -8.500 31.121 1.224 1.00 5.69 ? 164 LEU A N 1 ATOM 1234 C CA . LEU A 1 164 ? -9.718 30.654 0.560 1.00 5.96 ? 164 LEU A CA 1 ATOM 1235 C C . LEU A 1 164 ? -9.549 30.496 -0.968 1.00 6.27 ? 164 LEU A C 1 ATOM 1236 O O . LEU A 1 164 ? -9.964 29.466 -1.502 1.00 6.55 ? 164 LEU A O 1 ATOM 1237 C CB . LEU A 1 164 ? -10.917 31.529 0.855 1.00 6.14 ? 164 LEU A CB 1 ATOM 1238 C CG . LEU A 1 164 ? -11.658 31.273 2.184 1.00 7.12 ? 164 LEU A CG 1 ATOM 1239 C CD1 . LEU A 1 164 ? -10.806 31.473 3.366 1.00 8.57 ? 164 LEU A CD1 1 ATOM 1240 C CD2 . LEU A 1 164 ? -12.898 32.096 2.227 1.00 7.76 ? 164 LEU A CD2 1 ATOM 1241 N N . PRO A 1 165 ? -9.013 31.470 -1.700 1.00 6.80 ? 165 PRO A N 1 ATOM 1242 C CA . PRO A 1 165 ? -9.053 31.310 -3.152 1.00 7.66 ? 165 PRO A CA 1 ATOM 1243 C C . PRO A 1 165 ? -8.252 30.084 -3.612 1.00 7.10 ? 165 PRO A C 1 ATOM 1244 O O . PRO A 1 165 ? -8.710 29.333 -4.480 1.00 7.60 ? 165 PRO A O 1 ATOM 1245 C CB . PRO A 1 165 ? -8.415 32.612 -3.675 1.00 8.66 ? 165 PRO A CB 1 ATOM 1246 C CG . PRO A 1 165 ? -8.598 33.621 -2.564 1.00 7.76 ? 165 PRO A CG 1 ATOM 1247 C CD . PRO A 1 165 ? -8.522 32.807 -1.282 1.00 6.64 ? 165 PRO A CD 1 ATOM 1248 N N . SER A 1 166 ? -7.059 29.885 -3.070 1.00 7.13 ? 166 SER A N 1 ATOM 1249 C CA . SER A 1 166 ? -6.236 28.766 -3.489 1.00 7.21 ? 166 SER A CA 1 ATOM 1250 C C . SER A 1 166 ? -6.775 27.437 -3.000 1.00 5.96 ? 166 SER A C 1 ATOM 1251 O O . SER A 1 166 ? -6.709 26.446 -3.712 1.00 6.72 ? 166 SER A O 1 ATOM 1252 C CB . SER A 1 166 ? -4.781 28.933 -3.024 1.00 9.16 ? 166 SER A CB 1 ATOM 1253 O OG . SER A 1 166 ? -4.201 30.067 -3.697 1.00 11.68 ? 166 SER A OG 1 ATOM 1254 N N . GLN A 1 167 ? -7.259 27.412 -1.754 1.00 6.11 ? 167 GLN A N 1 ATOM 1255 C CA . GLN A 1 167 ? -7.719 26.149 -1.209 1.00 5.76 ? 167 GLN A CA 1 ATOM 1256 C C . GLN A 1 167 ? -9.024 25.705 -1.878 1.00 5.88 ? 167 GLN A C 1 ATOM 1257 O O . GLN A 1 167 ? -9.204 24.515 -2.143 1.00 6.87 ? 167 GLN A O 1 ATOM 1258 C CB . GLN A 1 167 ? -7.824 26.198 0.316 1.00 5.82 ? 167 GLN A CB 1 ATOM 1259 C CG . GLN A 1 167 ? -8.014 24.812 0.886 1.00 6.20 ? 167 GLN A CG 1 ATOM 1260 C CD . GLN A 1 167 ? -7.936 24.638 2.373 1.00 5.55 ? 167 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 167 ? -8.064 23.495 2.836 1.00 6.45 ? 167 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 167 ? -7.684 25.700 3.146 1.00 5.57 ? 167 GLN A NE2 1 ATOM 1263 N N . PHE A 1 168 ? -9.937 26.625 -2.159 1.00 5.93 ? 168 PHE A N 1 ATOM 1264 C CA . PHE A 1 168 ? -11.125 26.256 -2.904 1.00 6.24 ? 168 PHE A CA 1 ATOM 1265 C C . PHE A 1 168 ? -10.760 25.784 -4.325 1.00 6.16 ? 168 PHE A C 1 ATOM 1266 O O . PHE A 1 168 ? -11.321 24.810 -4.827 1.00 6.66 ? 168 PHE A O 1 ATOM 1267 C CB . PHE A 1 168 ? -12.147 27.395 -2.971 1.00 6.51 ? 168 PHE A CB 1 ATOM 1268 C CG . PHE A 1 168 ? -12.896 27.637 -1.698 1.00 6.25 ? 168 PHE A CG 1 ATOM 1269 C CD1 . PHE A 1 168 ? -13.429 26.601 -0.956 1.00 6.94 ? 168 PHE A CD1 1 ATOM 1270 C CD2 . PHE A 1 168 ? -13.196 28.931 -1.309 1.00 6.93 ? 168 PHE A CD2 1 ATOM 1271 C CE1 . PHE A 1 168 ? -14.206 26.844 0.163 1.00 7.39 ? 168 PHE A CE1 1 ATOM 1272 C CE2 . PHE A 1 168 ? -14.001 29.159 -0.206 1.00 7.47 ? 168 PHE A CE2 1 ATOM 1273 C CZ . PHE A 1 168 ? -14.507 28.139 0.542 1.00 7.54 ? 168 PHE A CZ 1 ATOM 1274 N N . ALA A 1 169 ? -9.824 26.478 -4.990 1.00 6.18 ? 169 ALA A N 1 ATOM 1275 C CA . ALA A 1 169 ? -9.449 26.093 -6.348 1.00 6.68 ? 169 ALA A CA 1 ATOM 1276 C C . ALA A 1 169 ? -8.876 24.683 -6.355 1.00 6.86 ? 169 ALA A C 1 ATOM 1277 O O . ALA A 1 169 ? -9.159 23.903 -7.268 1.00 7.61 ? 169 ALA A O 1 ATOM 1278 C CB . ALA A 1 169 ? -8.508 27.113 -6.949 1.00 7.58 ? 169 ALA A CB 1 ATOM 1279 N N . SER A 1 170 ? -8.034 24.351 -5.380 1.00 6.96 ? 170 SER A N 1 ATOM 1280 C CA . SER A 1 170 ? -7.448 23.026 -5.328 1.00 8.35 ? 170 SER A CA 1 ATOM 1281 C C . SER A 1 170 ? -8.494 21.979 -4.935 1.00 8.13 ? 170 SER A C 1 ATOM 1282 O O . SER A 1 170 ? -8.528 20.886 -5.512 1.00 9.80 ? 170 SER A O 1 ATOM 1283 C CB . SER A 1 170 ? -6.277 22.998 -4.379 1.00 9.78 ? 170 SER A CB 1 ATOM 1284 O OG . SER A 1 170 ? -6.564 23.343 -3.116 1.00 12.44 ? 170 SER A OG 1 ATOM 1285 N N . ALA A 1 171 ? -9.357 22.277 -3.992 1.00 7.60 ? 171 ALA A N 1 ATOM 1286 C CA . ALA A 1 171 ? -10.364 21.311 -3.540 1.00 8.31 ? 171 ALA A CA 1 ATOM 1287 C C . ALA A 1 171 ? -11.344 20.954 -4.663 1.00 8.10 ? 171 ALA A C 1 ATOM 1288 O O . ALA A 1 171 ? -11.693 19.787 -4.813 1.00 9.94 ? 171 ALA A O 1 ATOM 1289 C CB . ALA A 1 171 ? -11.143 21.856 -2.355 1.00 9.92 ? 171 ALA A CB 1 ATOM 1290 N N . PHE A 1 172 ? -11.737 21.942 -5.459 1.00 7.72 ? 172 PHE A N 1 ATOM 1291 C CA . PHE A 1 172 ? -12.787 21.762 -6.436 1.00 8.15 ? 172 PHE A CA 1 ATOM 1292 C C . PHE A 1 172 ? -12.287 21.693 -7.861 1.00 8.82 ? 172 PHE A C 1 ATOM 1293 O O . PHE A 1 172 ? -13.074 21.529 -8.789 1.00 10.01 ? 172 PHE A O 1 ATOM 1294 C CB . PHE A 1 172 ? -13.797 22.896 -6.299 1.00 8.10 ? 172 PHE A CB 1 ATOM 1295 C CG . PHE A 1 172 ? -14.577 22.866 -5.017 1.00 8.00 ? 172 PHE A CG 1 ATOM 1296 C CD1 . PHE A 1 172 ? -15.271 21.711 -4.620 1.00 8.53 ? 172 PHE A CD1 1 ATOM 1297 C CD2 . PHE A 1 172 ? -14.618 23.956 -4.180 1.00 8.33 ? 172 PHE A CD2 1 ATOM 1298 C CE1 . PHE A 1 172 ? -16.023 21.693 -3.461 1.00 8.91 ? 172 PHE A CE1 1 ATOM 1299 C CE2 . PHE A 1 172 ? -15.392 23.946 -3.016 1.00 8.72 ? 172 PHE A CE2 1 ATOM 1300 C CZ . PHE A 1 172 ? -16.074 22.800 -2.655 1.00 9.06 ? 172 PHE A CZ 1 ATOM 1301 N N . SER A 1 173 ? -10.977 21.788 -8.055 1.00 9.02 ? 173 SER A N 1 ATOM 1302 C CA . SER A 1 173 ? -10.346 21.702 -9.378 1.00 9.96 ? 173 SER A CA 1 ATOM 1303 C C . SER A 1 173 ? -10.874 22.768 -10.345 1.00 9.96 ? 173 SER A C 1 ATOM 1304 O O . SER A 1 173 ? -11.220 22.452 -11.471 1.00 13.44 ? 173 SER A O 1 ATOM 1305 C CB . SER A 1 173 ? -10.493 20.280 -9.973 1.00 12.39 ? 173 SER A CB 1 ATOM 1306 O OG . SER A 1 173 ? -9.973 19.315 -9.098 1.00 15.35 ? 173 SER A OG 1 ATOM 1307 N N . PHE A 1 174 ? -10.856 24.014 -9.910 1.00 8.37 ? 174 PHE A N 1 ATOM 1308 C CA . PHE A 1 174 ? -11.189 25.120 -10.778 1.00 8.66 ? 174 PHE A CA 1 ATOM 1309 C C . PHE A 1 174 ? -10.037 26.146 -10.803 1.00 8.15 ? 174 PHE A C 1 ATOM 1310 O O . PHE A 1 174 ? -9.056 25.988 -10.095 1.00 8.56 ? 174 PHE A O 1 ATOM 1311 C CB . PHE A 1 174 ? -12.587 25.704 -10.515 1.00 8.54 ? 174 PHE A CB 1 ATOM 1312 C CG . PHE A 1 174 ? -12.840 26.278 -9.129 1.00 7.47 ? 174 PHE A CG 1 ATOM 1313 C CD1 . PHE A 1 174 ? -13.963 25.875 -8.417 1.00 7.89 ? 174 PHE A CD1 1 ATOM 1314 C CD2 . PHE A 1 174 ? -12.035 27.266 -8.572 1.00 6.65 ? 174 PHE A CD2 1 ATOM 1315 C CE1 . PHE A 1 174 ? -14.296 26.454 -7.230 1.00 7.70 ? 174 PHE A CE1 1 ATOM 1316 C CE2 . PHE A 1 174 ? -12.369 27.840 -7.356 1.00 6.55 ? 174 PHE A CE2 1 ATOM 1317 C CZ . PHE A 1 174 ? -13.508 27.447 -6.675 1.00 6.38 ? 174 PHE A CZ 1 ATOM 1318 N N . LYS A 1 175 ? -10.143 27.171 -11.634 1.00 9.81 ? 175 LYS A N 1 ATOM 1319 C CA . LYS A 1 175 ? -9.016 28.070 -11.836 1.00 10.14 ? 175 LYS A CA 1 ATOM 1320 C C . LYS A 1 175 ? -8.690 28.844 -10.576 1.00 9.31 ? 175 LYS A C 1 ATOM 1321 O O . LYS A 1 175 ? -9.579 29.246 -9.823 1.00 8.74 ? 175 LYS A O 1 ATOM 1322 C CB . LYS A 1 175 ? -9.276 29.017 -12.977 1.00 12.89 ? 175 LYS A CB 1 ATOM 1323 C CG . LYS A 1 175 ? -9.161 28.262 -14.257 1.00 15.07 ? 175 LYS A CG 1 ATOM 1324 C CD . LYS A 1 175 ? -9.346 29.085 -15.513 1.00 17.89 ? 175 LYS A CD 1 ATOM 1325 C CE . LYS A 1 175 ? -9.413 28.155 -16.747 1.00 20.63 ? 175 LYS A CE 1 ATOM 1326 N NZ . LYS A 1 175 ? -9.627 28.810 -18.070 1.00 25.82 ? 175 LYS A NZ 1 ATOM 1327 N N . ARG A 1 176 ? -7.383 29.104 -10.410 1.00 9.59 ? 176 ARG A N 1 ATOM 1328 C CA . ARG A 1 176 ? -6.863 29.800 -9.247 1.00 9.16 ? 176 ARG A CA 1 ATOM 1329 C C . ARG A 1 176 ? -7.015 31.308 -9.459 1.00 8.86 ? 176 ARG A C 1 ATOM 1330 O O . ARG A 1 176 ? -6.019 32.037 -9.607 1.00 10.49 ? 176 ARG A O 1 ATOM 1331 C CB . ARG A 1 176 ? -5.410 29.380 -8.972 1.00 10.85 ? 176 ARG A CB 1 ATOM 1332 C CG . ARG A 1 176 ? -4.941 29.706 -7.558 1.00 13.01 ? 176 ARG A CG 1 ATOM 1333 C CD . ARG A 1 176 ? -3.452 29.449 -7.382 1.00 14.08 ? 176 ARG A CD 1 ATOM 1334 N NE . ARG A 1 176 ? -2.989 29.779 -6.055 1.00 16.60 ? 176 ARG A NE 1 ATOM 1335 C CZ . ARG A 1 176 ? -1.742 29.773 -5.665 1.00 17.63 ? 176 ARG A CZ 1 ATOM 1336 N NH1 . ARG A 1 176 ? -0.788 29.535 -6.561 1.00 23.19 ? 176 ARG A NH1 1 ATOM 1337 N NH2 . ARG A 1 176 ? -1.444 29.983 -4.371 1.00 22.22 ? 176 ARG A NH2 1 ATOM 1338 N N . LYS A 1 177 ? -8.249 31.750 -9.386 1.00 8.45 ? 177 LYS A N 1 ATOM 1339 C CA . LYS A 1 177 ? -8.606 33.136 -9.557 1.00 7.62 ? 177 LYS A CA 1 ATOM 1340 C C . LYS A 1 177 ? -9.837 33.381 -8.702 1.00 6.34 ? 177 LYS A C 1 ATOM 1341 O O . LYS A 1 177 ? -10.588 32.455 -8.350 1.00 6.99 ? 177 LYS A O 1 ATOM 1342 C CB . LYS A 1 177 ? -8.759 33.570 -11.005 1.00 10.77 ? 177 LYS A CB 1 ATOM 1343 C CG . LYS A 1 177 ? -9.975 33.073 -11.707 1.00 14.06 ? 177 LYS A CG 1 ATOM 1344 C CD . LYS A 1 177 ? -9.994 33.533 -13.215 1.00 17.70 ? 177 LYS A CD 1 ATOM 1345 C CE . LYS A 1 177 ? -11.282 33.445 -13.960 1.00 16.18 ? 177 LYS A CE 1 ATOM 1346 N NZ . LYS A 1 177 ? -11.010 33.660 -15.426 1.00 21.10 ? 177 LYS A NZ 1 ATOM 1347 N N . PHE A 1 178 ? -10.053 34.637 -8.357 1.00 5.76 ? 178 PHE A N 1 ATOM 1348 C CA . PHE A 1 178 ? -11.271 35.028 -7.649 1.00 5.88 ? 178 PHE A CA 1 ATOM 1349 C C . PHE A 1 178 ? -11.553 36.486 -7.952 1.00 5.25 ? 178 PHE A C 1 ATOM 1350 O O . PHE A 1 178 ? -10.685 37.232 -8.407 1.00 6.25 ? 178 PHE A O 1 ATOM 1351 C CB . PHE A 1 178 ? -11.163 34.783 -6.133 1.00 6.02 ? 178 PHE A CB 1 ATOM 1352 C CG . PHE A 1 178 ? -10.205 35.685 -5.389 1.00 6.35 ? 178 PHE A CG 1 ATOM 1353 C CD1 . PHE A 1 178 ? -10.648 36.723 -4.592 1.00 7.73 ? 178 PHE A CD1 1 ATOM 1354 C CD2 . PHE A 1 178 ? -8.830 35.472 -5.461 1.00 6.93 ? 178 PHE A CD2 1 ATOM 1355 C CE1 . PHE A 1 178 ? -9.688 37.517 -3.880 1.00 8.32 ? 178 PHE A CE1 1 ATOM 1356 C CE2 . PHE A 1 178 ? -7.933 36.250 -4.748 1.00 7.93 ? 178 PHE A CE2 1 ATOM 1357 C CZ . PHE A 1 178 ? -8.371 37.259 -3.966 1.00 8.50 ? 178 PHE A CZ 1 ATOM 1358 N N . ALA A 1 179 ? -12.782 36.893 -7.710 1.00 6.00 ? 179 ALA A N 1 ATOM 1359 C CA . ALA A 1 179 ? -13.271 38.236 -8.007 1.00 6.45 ? 179 ALA A CA 1 ATOM 1360 C C . ALA A 1 179 ? -13.998 38.760 -6.813 1.00 5.81 ? 179 ALA A C 1 ATOM 1361 O O . ALA A 1 179 ? -14.804 38.067 -6.196 1.00 7.17 ? 179 ALA A O 1 ATOM 1362 C CB . ALA A 1 179 ? -14.191 38.200 -9.219 1.00 8.12 ? 179 ALA A CB 1 ATOM 1363 N N . MET A 1 180 ? -13.716 40.001 -6.478 1.00 5.71 ? 180 MET A N 1 ATOM 1364 C CA . MET A 1 180 ? -14.333 40.680 -5.349 1.00 5.86 ? 180 MET A CA 1 ATOM 1365 C C . MET A 1 180 ? -15.128 41.848 -5.855 1.00 5.75 ? 180 MET A C 1 ATOM 1366 O O . MET A 1 180 ? -14.612 42.692 -6.604 1.00 6.83 ? 180 MET A O 1 ATOM 1367 C CB . MET A 1 180 ? -13.243 41.104 -4.412 1.00 8.62 ? 180 MET A CB 1 ATOM 1368 C CG . MET A 1 180 ? -13.614 41.767 -3.178 1.00 10.58 ? 180 MET A CG 1 ATOM 1369 S SD . MET A 1 180 ? -12.193 42.147 -2.131 1.00 16.97 ? 180 MET A SD 1 ATOM 1370 C CE . MET A 1 180 ? -11.429 43.373 -3.064 1.00 16.61 ? 180 MET A CE 1 ATOM 1371 N N . CYS A 1 181 ? -16.369 41.950 -5.388 1.00 6.18 ? 181 CYS A N 1 ATOM 1372 C CA . CYS A 1 181 ? -17.255 43.061 -5.752 1.00 6.95 ? 181 CYS A CA 1 ATOM 1373 C C . CYS A 1 181 ? -17.850 43.615 -4.466 1.00 6.51 ? 181 CYS A C 1 ATOM 1374 O O . CYS A 1 181 ? -18.955 43.228 -4.074 1.00 7.67 ? 181 CYS A O 1 ATOM 1375 C CB . CYS A 1 181 ? -18.348 42.577 -6.711 1.00 8.45 ? 181 CYS A CB 1 ATOM 1376 S SG . CYS A 1 181 ? -18.957 43.803 -7.943 1.00 8.31 ? 181 CYS A SG 1 ATOM 1377 N N . LEU A 1 182 ? -17.110 44.515 -3.814 1.00 6.56 ? 182 LEU A N 1 ATOM 1378 C CA . LEU A 1 182 ? -17.541 45.100 -2.546 1.00 6.39 ? 182 LEU A CA 1 ATOM 1379 C C . LEU A 1 182 ? -18.612 46.166 -2.796 1.00 5.96 ? 182 LEU A C 1 ATOM 1380 O O . LEU A 1 182 ? -18.646 46.770 -3.880 1.00 6.71 ? 182 LEU A O 1 ATOM 1381 C CB . LEU A 1 182 ? -16.359 45.756 -1.815 1.00 6.57 ? 182 LEU A CB 1 ATOM 1382 C CG . LEU A 1 182 ? -15.193 44.830 -1.469 1.00 7.79 ? 182 LEU A CG 1 ATOM 1383 C CD1 . LEU A 1 182 ? -14.159 45.622 -0.676 1.00 10.05 ? 182 LEU A CD1 1 ATOM 1384 C CD2 . LEU A 1 182 ? -15.660 43.597 -0.692 1.00 9.47 ? 182 LEU A CD2 1 ATOM 1385 N N . SER A 1 183 ? -19.404 46.444 -1.778 1.00 6.45 ? 183 SER A N 1 ATOM 1386 C CA . SER A 1 183 ? -20.424 47.463 -1.818 1.00 6.59 ? 183 SER A CA 1 ATOM 1387 C C . SER A 1 183 ? -20.336 48.332 -0.594 1.00 6.42 ? 183 SER A C 1 ATOM 1388 O O . SER A 1 183 ? -19.992 47.899 0.493 1.00 7.54 ? 183 SER A O 1 ATOM 1389 C CB . SER A 1 183 ? -21.796 46.813 -1.878 1.00 7.20 ? 183 SER A CB 1 ATOM 1390 O OG . SER A 1 183 ? -22.872 47.745 -1.813 1.00 7.68 ? 183 SER A OG 1 ATOM 1391 N N . GLY A 1 184 ? -20.718 49.600 -0.783 1.00 7.19 ? 184 GLY A N 1 ATOM 1392 C CA . GLY A 1 184 ? -20.984 50.503 0.325 1.00 8.25 ? 184 GLY A CA 1 ATOM 1393 C C . GLY A 1 184 ? -22.281 50.292 1.036 1.00 8.90 ? 184 GLY A C 1 ATOM 1394 O O . GLY A 1 184 ? -22.514 50.917 2.094 1.00 11.24 ? 184 GLY A O 1 ATOM 1395 N N . SER A 1 185 ? -23.158 49.465 0.506 1.00 8.81 ? 185 SER A N 1 ATOM 1396 C CA . SER A 1 185 ? -24.405 49.193 1.214 1.00 9.30 ? 185 SER A CA 1 ATOM 1397 C C . SER A 1 185 ? -24.102 48.498 2.550 1.00 8.92 ? 185 SER A C 1 ATOM 1398 O O . SER A 1 185 ? -23.344 47.559 2.601 1.00 10.11 ? 185 SER A O 1 ATOM 1399 C CB . SER A 1 185 ? -25.284 48.251 0.378 1.00 9.39 ? 185 SER A CB 1 ATOM 1400 O OG . SER A 1 185 ? -26.467 48.010 1.105 1.00 10.90 ? 185 SER A OG 1 ATOM 1401 N N . THR A 1 186 ? -24.771 48.933 3.607 1.00 10.54 ? 186 THR A N 1 ATOM 1402 C CA . THR A 1 186 ? -24.711 48.233 4.879 1.00 11.53 ? 186 THR A CA 1 ATOM 1403 C C . THR A 1 186 ? -25.940 47.370 5.142 1.00 12.54 ? 186 THR A C 1 ATOM 1404 O O . THR A 1 186 ? -26.020 46.728 6.183 1.00 16.35 ? 186 THR A O 1 ATOM 1405 C CB . THR A 1 186 ? -24.467 49.198 6.022 1.00 13.58 ? 186 THR A CB 1 ATOM 1406 O OG1 . THR A 1 186 ? -25.562 50.108 6.104 1.00 16.55 ? 186 THR A OG1 1 ATOM 1407 C CG2 . THR A 1 186 ? -23.176 49.943 5.847 1.00 13.38 ? 186 THR A CG2 1 ATOM 1408 N N . SER A 1 187 ? -26.843 47.299 4.170 1.00 12.31 ? 187 SER A N 1 ATOM 1409 C CA . SER A 1 187 ? -28.070 46.539 4.276 1.00 14.68 ? 187 SER A CA 1 ATOM 1410 C C . SER A 1 187 ? -28.220 45.427 3.230 1.00 13.49 ? 187 SER A C 1 ATOM 1411 O O . SER A 1 187 ? -29.057 44.534 3.418 1.00 18.29 ? 187 SER A O 1 ATOM 1412 C CB . SER A 1 187 ? -29.280 47.463 4.155 1.00 17.00 ? 187 SER A CB 1 ATOM 1413 O OG . SER A 1 187 ? -29.273 48.149 2.935 1.00 19.10 ? 187 SER A OG 1 ATOM 1414 N N . SER A 1 188 ? -27.451 45.474 2.162 1.00 12.25 ? 188 SER A N 1 ATOM 1415 C CA . SER A 1 188 ? -27.588 44.516 1.072 1.00 11.55 ? 188 SER A CA 1 ATOM 1416 C C . SER A 1 188 ? -26.246 43.844 0.840 1.00 10.01 ? 188 SER A C 1 ATOM 1417 O O . SER A 1 188 ? -25.201 44.460 0.977 1.00 11.54 ? 188 SER A O 1 ATOM 1418 C CB . SER A 1 188 ? -28.024 45.254 -0.218 1.00 14.66 ? 188 SER A CB 1 ATOM 1419 O OG . SER A 1 188 ? -29.331 45.729 -0.119 1.00 24.44 ? 188 SER A OG 1 ATOM 1420 N N . ASN A 1 189 ? -26.322 42.583 0.439 1.00 9.24 ? 189 ASN A N 1 ATOM 1421 C CA . ASN A 1 189 ? -25.163 41.796 0.096 1.00 8.77 ? 189 ASN A CA 1 ATOM 1422 C C . ASN A 1 189 ? -24.588 42.135 -1.270 1.00 7.71 ? 189 ASN A C 1 ATOM 1423 O O . ASN A 1 189 ? -25.320 42.279 -2.241 1.00 9.51 ? 189 ASN A O 1 ATOM 1424 C CB . ASN A 1 189 ? -25.466 40.307 0.072 1.00 9.66 ? 189 ASN A CB 1 ATOM 1425 C CG . ASN A 1 189 ? -25.745 39.740 1.409 1.00 10.31 ? 189 ASN A CG 1 ATOM 1426 O OD1 . ASN A 1 189 ? -25.055 40.041 2.366 1.00 12.16 ? 189 ASN A OD1 1 ATOM 1427 N ND2 . ASN A 1 189 ? -26.726 38.873 1.472 1.00 14.16 ? 189 ASN A ND2 1 ATOM 1428 N N . SER A 1 190 ? -23.271 42.197 -1.334 1.00 6.70 ? 190 SER A N 1 ATOM 1429 C CA . SER A 1 190 ? -22.539 42.010 -2.563 1.00 7.03 ? 190 SER A CA 1 ATOM 1430 C C . SER A 1 190 ? -21.849 40.646 -2.513 1.00 6.09 ? 190 SER A C 1 ATOM 1431 O O . SER A 1 190 ? -22.288 39.795 -1.761 1.00 6.64 ? 190 SER A O 1 ATOM 1432 C CB . SER A 1 190 ? -21.651 43.143 -2.871 1.00 9.39 ? 190 SER A CB 1 ATOM 1433 O OG . SER A 1 190 ? -20.612 43.212 -1.959 1.00 9.65 ? 190 SER A OG 1 ATOM 1434 N N . VAL A 1 191 ? -20.814 40.407 -3.333 1.00 6.30 ? 191 VAL A N 1 ATOM 1435 C CA . VAL A 1 191 ? -20.299 39.064 -3.515 1.00 6.19 ? 191 VAL A CA 1 ATOM 1436 C C . VAL A 1 191 ? -18.800 39.023 -3.720 1.00 5.60 ? 191 VAL A C 1 ATOM 1437 O O . VAL A 1 191 ? -18.175 39.963 -4.229 1.00 6.43 ? 191 VAL A O 1 ATOM 1438 C CB . VAL A 1 191 ? -21.012 38.343 -4.687 1.00 7.73 ? 191 VAL A CB 1 ATOM 1439 C CG1 . VAL A 1 191 ? -22.483 38.053 -4.362 1.00 8.46 ? 191 VAL A CG1 1 ATOM 1440 C CG2 . VAL A 1 191 ? -20.781 39.070 -6.016 1.00 8.96 ? 191 VAL A CG2 1 ATOM 1441 N N . ILE A 1 192 ? -18.252 37.870 -3.368 1.00 5.48 ? 192 ILE A N 1 ATOM 1442 C CA . ILE A 1 192 ? -16.963 37.384 -3.856 1.00 5.60 ? 192 ILE A CA 1 ATOM 1443 C C . ILE A 1 192 ? -17.269 36.092 -4.635 1.00 5.71 ? 192 ILE A C 1 ATOM 1444 O O . ILE A 1 192 ? -18.023 35.243 -4.139 1.00 6.05 ? 192 ILE A O 1 ATOM 1445 C CB . ILE A 1 192 ? -15.969 37.120 -2.726 1.00 6.11 ? 192 ILE A CB 1 ATOM 1446 C CG1 . ILE A 1 192 ? -15.578 38.437 -2.074 1.00 7.86 ? 192 ILE A CG1 1 ATOM 1447 C CG2 . ILE A 1 192 ? -14.746 36.342 -3.218 1.00 8.05 ? 192 ILE A CG2 1 ATOM 1448 C CD1 . ILE A 1 192 ? -14.966 38.261 -0.672 1.00 10.63 ? 192 ILE A CD1 1 ATOM 1449 N N . ILE A 1 193 ? -16.675 35.955 -5.819 1.00 5.65 ? 193 ILE A N 1 ATOM 1450 C CA . ILE A 1 193 ? -16.854 34.787 -6.661 1.00 6.08 ? 193 ILE A CA 1 ATOM 1451 C C . ILE A 1 193 ? -15.496 34.126 -6.864 1.00 5.91 ? 193 ILE A C 1 ATOM 1452 O O . ILE A 1 193 ? -14.597 34.706 -7.465 1.00 6.84 ? 193 ILE A O 1 ATOM 1453 C CB . ILE A 1 193 ? -17.533 35.132 -8.011 1.00 7.15 ? 193 ILE A CB 1 ATOM 1454 C CG1 . ILE A 1 193 ? -18.954 35.686 -7.723 1.00 8.92 ? 193 ILE A CG1 1 ATOM 1455 C CG2 . ILE A 1 193 ? -17.554 33.887 -8.876 1.00 7.71 ? 193 ILE A CG2 1 ATOM 1456 C CD1 . ILE A 1 193 ? -19.663 36.273 -8.912 1.00 11.51 ? 193 ILE A CD1 1 ATOM 1457 N N . PHE A 1 194 ? -15.352 32.922 -6.310 1.00 6.08 ? 194 PHE A N 1 ATOM 1458 C CA . PHE A 1 194 ? -14.149 32.150 -6.446 1.00 6.63 ? 194 PHE A CA 1 ATOM 1459 C C . PHE A 1 194 ? -14.232 31.303 -7.714 1.00 6.93 ? 194 PHE A C 1 ATOM 1460 O O . PHE A 1 194 ? -15.276 30.697 -7.965 1.00 7.93 ? 194 PHE A O 1 ATOM 1461 C CB . PHE A 1 194 ? -13.952 31.204 -5.246 1.00 6.55 ? 194 PHE A CB 1 ATOM 1462 C CG . PHE A 1 194 ? -13.850 31.926 -3.956 1.00 6.73 ? 194 PHE A CG 1 ATOM 1463 C CD1 . PHE A 1 194 ? -12.644 32.473 -3.555 1.00 7.56 ? 194 PHE A CD1 1 ATOM 1464 C CD2 . PHE A 1 194 ? -14.910 32.039 -3.071 1.00 7.86 ? 194 PHE A CD2 1 ATOM 1465 C CE1 . PHE A 1 194 ? -12.510 33.138 -2.343 1.00 8.44 ? 194 PHE A CE1 1 ATOM 1466 C CE2 . PHE A 1 194 ? -14.783 32.680 -1.841 1.00 8.24 ? 194 PHE A CE2 1 ATOM 1467 C CZ . PHE A 1 194 ? -13.596 33.244 -1.494 1.00 7.99 ? 194 PHE A CZ 1 ATOM 1468 N N . GLY A 1 195 ? -13.157 31.216 -8.482 1.00 6.83 ? 195 GLY A N 1 ATOM 1469 C CA . GLY A 1 195 ? -13.091 30.316 -9.614 1.00 7.29 ? 195 GLY A CA 1 ATOM 1470 C C . GLY A 1 195 ? -13.387 31.013 -10.921 1.00 7.72 ? 195 GLY A C 1 ATOM 1471 O O . GLY A 1 195 ? -12.951 32.139 -11.189 1.00 8.60 ? 195 GLY A O 1 ATOM 1472 N N . ASN A 1 196 ? -14.027 30.276 -11.826 1.00 8.25 ? 196 ASN A N 1 ATOM 1473 C CA . ASN A 1 196 ? -14.111 30.749 -13.186 1.00 9.82 ? 196 ASN A CA 1 ATOM 1474 C C . ASN A 1 196 ? -14.978 32.001 -13.315 1.00 8.81 ? 196 ASN A C 1 ATOM 1475 O O . ASN A 1 196 ? -15.939 32.204 -12.568 1.00 9.59 ? 196 ASN A O 1 ATOM 1476 C CB . ASN A 1 196 ? -14.625 29.625 -14.035 1.00 13.15 ? 196 ASN A CB 1 ATOM 1477 C CG . ASN A 1 196 ? -13.595 28.474 -14.183 1.00 16.47 ? 196 ASN A CG 1 ATOM 1478 O OD1 . ASN A 1 196 ? -12.531 28.452 -13.432 1.00 22.32 ? 196 ASN A OD1 1 ATOM 1479 N ND2 . ASN A 1 196 ? -13.981 27.427 -14.891 1.00 29.94 ? 196 ASN A ND2 1 ATOM 1480 N N . ASP A 1 197 ? -14.628 32.824 -14.298 1.00 8.64 ? 197 ASP A N 1 ATOM 1481 C CA . ASP A 1 197 ? -15.468 33.854 -14.830 1.00 8.65 ? 197 ASP A CA 1 ATOM 1482 C C . ASP A 1 197 ? -16.500 33.151 -15.734 1.00 9.57 ? 197 ASP A C 1 ATOM 1483 O O . ASP A 1 197 ? -16.418 31.939 -15.934 1.00 11.32 ? 197 ASP A O 1 ATOM 1484 C CB . ASP A 1 197 ? -14.678 34.978 -15.522 1.00 8.29 ? 197 ASP A CB 1 ATOM 1485 C CG . ASP A 1 197 ? -14.338 34.679 -16.981 1.00 7.19 ? 197 ASP A CG 1 ATOM 1486 O OD1 . ASP A 1 197 ? -13.752 33.603 -17.207 1.00 8.81 ? 197 ASP A OD1 1 ATOM 1487 O OD2 . ASP A 1 197 ? -14.638 35.513 -17.845 1.00 8.13 ? 197 ASP A OD2 1 ATOM 1488 N N . PRO A 1 198 ? -17.491 33.859 -16.300 1.00 10.18 ? 198 PRO A N 1 ATOM 1489 C CA . PRO A 1 198 ? -17.847 35.267 -16.191 1.00 10.12 ? 198 PRO A CA 1 ATOM 1490 C C . PRO A 1 198 ? -18.834 35.516 -15.044 1.00 9.32 ? 198 PRO A C 1 ATOM 1491 O O . PRO A 1 198 ? -19.290 34.586 -14.383 1.00 11.42 ? 198 PRO A O 1 ATOM 1492 C CB . PRO A 1 198 ? -18.468 35.551 -17.550 1.00 11.59 ? 198 PRO A CB 1 ATOM 1493 C CG . PRO A 1 198 ? -19.266 34.276 -17.795 1.00 13.63 ? 198 PRO A CG 1 ATOM 1494 C CD . PRO A 1 198 ? -18.451 33.157 -17.192 1.00 11.71 ? 198 PRO A CD 1 ATOM 1495 N N . TYR A 1 199 ? -19.173 36.795 -14.863 1.00 9.51 ? 199 TYR A N 1 ATOM 1496 C CA . TYR A 1 199 ? -19.986 37.265 -13.737 1.00 10.36 ? 199 TYR A CA 1 ATOM 1497 C C . TYR A 1 199 ? -21.105 38.164 -14.258 1.00 10.37 ? 199 TYR A C 1 ATOM 1498 O O . TYR A 1 199 ? -20.861 39.101 -14.993 1.00 16.62 ? 199 TYR A O 1 ATOM 1499 C CB . TYR A 1 199 ? -19.135 38.096 -12.771 1.00 10.34 ? 199 TYR A CB 1 ATOM 1500 C CG . TYR A 1 199 ? -17.726 37.577 -12.574 1.00 8.44 ? 199 TYR A CG 1 ATOM 1501 C CD1 . TYR A 1 199 ? -17.463 36.354 -11.933 1.00 8.64 ? 199 TYR A CD1 1 ATOM 1502 C CD2 . TYR A 1 199 ? -16.629 38.268 -13.083 1.00 7.54 ? 199 TYR A CD2 1 ATOM 1503 C CE1 . TYR A 1 199 ? -16.167 35.872 -11.769 1.00 7.34 ? 199 TYR A CE1 1 ATOM 1504 C CE2 . TYR A 1 199 ? -15.362 37.795 -12.944 1.00 7.03 ? 199 TYR A CE2 1 ATOM 1505 C CZ . TYR A 1 199 ? -15.123 36.607 -12.268 1.00 6.56 ? 199 TYR A CZ 1 ATOM 1506 O OH . TYR A 1 199 ? -13.826 36.181 -12.126 1.00 7.23 ? 199 TYR A OH 1 ATOM 1507 N N . THR A 1 200 ? -22.327 37.901 -13.869 1.00 9.60 ? 200 THR A N 1 ATOM 1508 C CA . THR A 1 200 ? -23.440 38.680 -14.303 1.00 9.99 ? 200 THR A CA 1 ATOM 1509 C C . THR A 1 200 ? -24.058 39.410 -13.146 1.00 9.90 ? 200 THR A C 1 ATOM 1510 O O . THR A 1 200 ? -24.290 38.842 -12.109 1.00 11.58 ? 200 THR A O 1 ATOM 1511 C CB . THR A 1 200 ? -24.503 37.789 -15.023 1.00 13.61 ? 200 THR A CB 1 ATOM 1512 O OG1 . THR A 1 200 ? -23.872 37.068 -16.098 1.00 17.49 ? 200 THR A OG1 1 ATOM 1513 C CG2 . THR A 1 200 ? -25.689 38.586 -15.538 1.00 17.00 ? 200 THR A CG2 1 ATOM 1514 N N . PHE A 1 201 ? -24.362 40.670 -13.369 1.00 9.69 ? 201 PHE A N 1 ATOM 1515 C CA . PHE A 1 201 ? -24.993 41.534 -12.396 1.00 10.14 ? 201 PHE A CA 1 ATOM 1516 C C . PHE A 1 201 ? -26.320 42.031 -12.997 1.00 11.76 ? 201 PHE A C 1 ATOM 1517 O O . PHE A 1 201 ? -26.401 42.357 -14.194 1.00 13.77 ? 201 PHE A O 1 ATOM 1518 C CB . PHE A 1 201 ? -24.084 42.715 -12.022 1.00 11.44 ? 201 PHE A CB 1 ATOM 1519 C CG . PHE A 1 201 ? -22.876 42.290 -11.267 1.00 10.39 ? 201 PHE A CG 1 ATOM 1520 C CD1 . PHE A 1 201 ? -22.883 42.286 -9.892 1.00 9.90 ? 201 PHE A CD1 1 ATOM 1521 C CD2 . PHE A 1 201 ? -21.752 41.822 -11.923 1.00 12.56 ? 201 PHE A CD2 1 ATOM 1522 C CE1 . PHE A 1 201 ? -21.809 41.773 -9.169 1.00 10.91 ? 201 PHE A CE1 1 ATOM 1523 C CE2 . PHE A 1 201 ? -20.683 41.353 -11.207 1.00 13.11 ? 201 PHE A CE2 1 ATOM 1524 C CZ . PHE A 1 201 ? -20.724 41.293 -9.836 1.00 12.74 ? 201 PHE A CZ 1 ATOM 1525 N N . LEU A 1 202 ? -27.371 42.049 -12.181 1.00 11.30 ? 202 LEU A N 1 ATOM 1526 C CA . LEU A 1 202 ? -28.669 42.412 -12.653 1.00 12.01 ? 202 LEU A CA 1 ATOM 1527 C C . LEU A 1 202 ? -28.662 43.840 -13.162 1.00 12.06 ? 202 LEU A C 1 ATOM 1528 O O . LEU A 1 202 ? -28.064 44.709 -12.528 1.00 13.17 ? 202 LEU A O 1 ATOM 1529 C CB . LEU A 1 202 ? -29.716 42.263 -11.532 1.00 13.54 ? 202 LEU A CB 1 ATOM 1530 C CG . LEU A 1 202 ? -29.942 40.810 -11.053 1.00 14.76 ? 202 LEU A CG 1 ATOM 1531 C CD1 . LEU A 1 202 ? -30.707 40.762 -9.742 1.00 17.35 ? 202 LEU A CD1 1 ATOM 1532 C CD2 . LEU A 1 202 ? -30.605 39.972 -12.131 1.00 17.58 ? 202 LEU A CD2 1 ATOM 1533 N N . PRO A 1 203 ? -29.359 44.123 -14.260 1.00 13.75 ? 203 PRO A N 1 ATOM 1534 C CA . PRO A 1 203 ? -30.257 43.199 -14.975 1.00 16.46 ? 203 PRO A CA 1 ATOM 1535 C C . PRO A 1 203 ? -29.626 42.133 -15.863 1.00 17.67 ? 203 PRO A C 1 ATOM 1536 O O . PRO A 1 203 ? -30.056 41.001 -15.849 1.00 22.44 ? 203 PRO A O 1 ATOM 1537 C CB . PRO A 1 203 ? -31.178 44.112 -15.789 1.00 18.55 ? 203 PRO A CB 1 ATOM 1538 C CG . PRO A 1 203 ? -30.524 45.429 -15.844 1.00 20.19 ? 203 PRO A CG 1 ATOM 1539 C CD . PRO A 1 203 ? -29.568 45.513 -14.684 1.00 16.79 ? 203 PRO A CD 1 ATOM 1540 N N . ASN A 1 204 ? -28.614 42.509 -16.601 1.00 17.68 ? 204 ASN A N 1 ATOM 1541 C CA . ASN A 1 204 ? -27.924 41.625 -17.580 1.00 17.04 ? 204 ASN A CA 1 ATOM 1542 C C . ASN A 1 204 ? -26.536 42.134 -17.941 1.00 13.55 ? 204 ASN A C 1 ATOM 1543 O O . ASN A 1 204 ? -26.143 42.114 -19.103 1.00 16.61 ? 204 ASN A O 1 ATOM 1544 C CB . ASN A 1 204 ? -28.760 41.641 -18.862 1.00 19.81 ? 204 ASN A CB 1 ATOM 1545 C CG . ASN A 1 204 ? -28.939 43.090 -19.422 1.00 23.24 ? 204 ASN A CG 1 ATOM 1546 O OD1 . ASN A 1 204 ? -28.462 44.108 -18.858 1.00 26.42 ? 204 ASN A OD1 1 ATOM 1547 N ND2 . ASN A 1 204 ? -29.627 43.187 -20.542 1.00 37.81 ? 204 ASN A ND2 1 ATOM 1548 N N . ILE A 1 205 ? -25.819 42.644 -16.960 1.00 12.00 ? 205 ILE A N 1 ATOM 1549 C CA A ILE A 1 205 ? -24.510 43.219 -17.189 0.50 10.60 ? 205 ILE A CA 1 ATOM 1550 C CA B ILE A 1 205 ? -24.512 43.214 -17.186 0.50 10.60 ? 205 ILE A CA 1 ATOM 1551 C C . ILE A 1 205 ? -23.472 42.118 -16.984 1.00 9.88 ? 205 ILE A C 1 ATOM 1552 O O . ILE A 1 205 ? -23.343 41.555 -15.894 1.00 10.92 ? 205 ILE A O 1 ATOM 1553 C CB A ILE A 1 205 ? -24.209 44.442 -16.287 0.50 11.11 ? 205 ILE A CB 1 ATOM 1554 C CB B ILE A 1 205 ? -24.224 44.418 -16.264 0.50 10.76 ? 205 ILE A CB 1 ATOM 1555 C CG1 A ILE A 1 205 ? -25.048 45.669 -16.662 0.50 13.55 ? 205 ILE A CG1 1 ATOM 1556 C CG1 B ILE A 1 205 ? -25.313 45.492 -16.404 0.50 12.55 ? 205 ILE A CG1 1 ATOM 1557 C CG2 A ILE A 1 205 ? -22.748 44.850 -16.381 0.50 12.26 ? 205 ILE A CG2 1 ATOM 1558 C CG2 B ILE A 1 205 ? -22.823 44.961 -16.499 0.50 12.47 ? 205 ILE A CG2 1 ATOM 1559 C CD1 A ILE A 1 205 ? -26.472 45.676 -16.163 0.50 13.40 ? 205 ILE A CD1 1 ATOM 1560 C CD1 B ILE A 1 205 ? -25.608 45.898 -17.831 0.50 15.14 ? 205 ILE A CD1 1 ATOM 1561 N N . ILE A 1 206 ? -22.697 41.828 -18.008 1.00 10.06 ? 206 ILE A N 1 ATOM 1562 C CA . ILE A 1 206 ? -21.669 40.803 -17.949 1.00 10.09 ? 206 ILE A CA 1 ATOM 1563 C C . ILE A 1 206 ? -20.341 41.484 -17.672 1.00 9.41 ? 206 ILE A C 1 ATOM 1564 O O . ILE A 1 206 ? -19.921 42.431 -18.364 1.00 12.50 ? 206 ILE A O 1 ATOM 1565 C CB . ILE A 1 206 ? -21.602 39.982 -19.253 1.00 12.81 ? 206 ILE A CB 1 ATOM 1566 C CG1 . ILE A 1 206 ? -22.932 39.214 -19.463 1.00 15.82 ? 206 ILE A CG1 1 ATOM 1567 C CG2 . ILE A 1 206 ? -20.425 39.042 -19.238 1.00 16.19 ? 206 ILE A CG2 1 ATOM 1568 C CD1 . ILE A 1 206 ? -23.064 38.472 -20.792 1.00 23.56 ? 206 ILE A CD1 1 ATOM 1569 N N . VAL A 1 207 ? -19.633 40.968 -16.682 1.00 8.29 ? 207 VAL A N 1 ATOM 1570 C CA . VAL A 1 207 ? -18.231 41.319 -16.428 1.00 7.71 ? 207 VAL A CA 1 ATOM 1571 C C . VAL A 1 207 ? -17.474 40.026 -16.665 1.00 6.79 ? 207 VAL A C 1 ATOM 1572 O O . VAL A 1 207 ? -17.816 38.989 -16.117 1.00 8.06 ? 207 VAL A O 1 ATOM 1573 C CB . VAL A 1 207 ? -18.033 41.849 -15.003 1.00 8.69 ? 207 VAL A CB 1 ATOM 1574 C CG1 . VAL A 1 207 ? -16.582 42.153 -14.771 1.00 9.21 ? 207 VAL A CG1 1 ATOM 1575 C CG2 . VAL A 1 207 ? -18.940 43.034 -14.723 1.00 10.86 ? 207 VAL A CG2 1 ATOM 1576 N N . SER A 1 208 ? -16.428 40.067 -17.467 1.00 6.90 ? 208 SER A N 1 ATOM 1577 C CA . SER A 1 208 ? -15.711 38.858 -17.799 1.00 6.83 ? 208 SER A CA 1 ATOM 1578 C C . SER A 1 208 ? -14.264 39.179 -18.054 1.00 6.43 ? 208 SER A C 1 ATOM 1579 O O . SER A 1 208 ? -13.843 40.339 -18.106 1.00 6.84 ? 208 SER A O 1 ATOM 1580 C CB . SER A 1 208 ? -16.292 38.197 -19.048 1.00 7.14 ? 208 SER A CB 1 ATOM 1581 O OG . SER A 1 208 ? -15.932 38.970 -20.169 1.00 7.97 ? 208 SER A OG 1 ATOM 1582 N N . ASP A 1 209 ? -13.483 38.147 -18.323 1.00 6.32 ? 209 ASP A N 1 ATOM 1583 C CA . ASP A 1 209 ? -12.102 38.354 -18.684 1.00 6.77 ? 209 ASP A CA 1 ATOM 1584 C C . ASP A 1 209 ? -11.972 39.191 -19.969 1.00 6.75 ? 209 ASP A C 1 ATOM 1585 O O . ASP A 1 209 ? -10.935 39.790 -20.200 1.00 7.59 ? 209 ASP A O 1 ATOM 1586 C CB . ASP A 1 209 ? -11.345 37.051 -18.855 1.00 7.29 ? 209 ASP A CB 1 ATOM 1587 C CG . ASP A 1 209 ? -11.024 36.315 -17.583 1.00 8.29 ? 209 ASP A CG 1 ATOM 1588 O OD1 . ASP A 1 209 ? -11.701 36.495 -16.557 1.00 8.97 ? 209 ASP A OD1 1 ATOM 1589 O OD2 . ASP A 1 209 ? -10.066 35.536 -17.631 1.00 11.62 ? 209 ASP A OD2 1 ATOM 1590 N N . LYS A 1 210 ? -12.996 39.227 -20.827 1.00 6.44 ? 210 LYS A N 1 ATOM 1591 C CA . LYS A 1 210 ? -12.996 40.109 -21.998 1.00 6.79 ? 210 LYS A CA 1 ATOM 1592 C C . LYS A 1 210 ? -13.069 41.570 -21.610 1.00 7.14 ? 210 LYS A C 1 ATOM 1593 O O . LYS A 1 210 ? -12.447 42.425 -22.255 1.00 10.75 ? 210 LYS A O 1 ATOM 1594 C CB . LYS A 1 210 ? -14.140 39.744 -22.933 1.00 6.59 ? 210 LYS A CB 1 ATOM 1595 C CG . LYS A 1 210 ? -14.332 40.724 -24.078 1.00 7.42 ? 210 LYS A CG 1 ATOM 1596 C CD . LYS A 1 210 ? -15.523 40.387 -24.941 1.00 8.94 ? 210 LYS A CD 1 ATOM 1597 C CE . LYS A 1 210 ? -15.617 41.320 -26.121 1.00 11.46 ? 210 LYS A CE 1 ATOM 1598 N NZ . LYS A 1 210 ? -16.887 41.340 -26.791 1.00 12.85 ? 210 LYS A NZ 1 ATOM 1599 N N . THR A 1 211 ? -13.909 41.891 -20.639 1.00 6.89 ? 211 THR A N 1 ATOM 1600 C CA . THR A 1 211 ? -14.249 43.259 -20.346 1.00 7.45 ? 211 THR A CA 1 ATOM 1601 C C . THR A 1 211 ? -13.241 43.903 -19.379 1.00 7.39 ? 211 THR A C 1 ATOM 1602 O O . THR A 1 211 ? -13.065 45.113 -19.449 1.00 9.27 ? 211 THR A O 1 ATOM 1603 C CB . THR A 1 211 ? -15.690 43.414 -19.792 1.00 8.34 ? 211 THR A CB 1 ATOM 1604 O OG1 . THR A 1 211 ? -15.783 42.824 -18.522 1.00 8.07 ? 211 THR A OG1 1 ATOM 1605 C CG2 . THR A 1 211 ? -16.717 42.787 -20.713 1.00 9.83 ? 211 THR A CG2 1 ATOM 1606 N N . LEU A 1 212 ? -12.602 43.146 -18.519 1.00 6.55 ? 212 LEU A N 1 ATOM 1607 C CA . LEU A 1 212 ? -11.728 43.692 -17.481 1.00 6.53 ? 212 LEU A CA 1 ATOM 1608 C C . LEU A 1 212 ? -10.461 44.273 -18.106 1.00 7.33 ? 212 LEU A C 1 ATOM 1609 O O . LEU A 1 212 ? -9.950 43.799 -19.124 1.00 9.82 ? 212 LEU A O 1 ATOM 1610 C CB . LEU A 1 212 ? -11.364 42.590 -16.506 1.00 6.72 ? 212 LEU A CB 1 ATOM 1611 C CG . LEU A 1 212 ? -12.520 42.091 -15.651 1.00 6.48 ? 212 LEU A CG 1 ATOM 1612 C CD1 . LEU A 1 212 ? -12.151 40.815 -14.920 1.00 8.35 ? 212 LEU A CD1 1 ATOM 1613 C CD2 . LEU A 1 212 ? -12.999 43.157 -14.657 1.00 7.80 ? 212 LEU A CD2 1 ATOM 1614 N N . THR A 1 213 ? -9.913 45.287 -17.432 1.00 6.80 ? 213 THR A N 1 ATOM 1615 C CA . THR A 1 213 ? -8.586 45.823 -17.736 1.00 6.98 ? 213 THR A CA 1 ATOM 1616 C C . THR A 1 213 ? -7.584 45.150 -16.806 1.00 6.34 ? 213 THR A C 1 ATOM 1617 O O . THR A 1 213 ? -7.810 45.114 -15.603 1.00 7.42 ? 213 THR A O 1 ATOM 1618 C CB . THR A 1 213 ? -8.567 47.340 -17.514 1.00 8.02 ? 213 THR A CB 1 ATOM 1619 O OG1 . THR A 1 213 ? -9.562 47.965 -18.344 1.00 9.61 ? 213 THR A OG1 1 ATOM 1620 C CG2 . THR A 1 213 ? -7.202 47.929 -17.781 1.00 9.67 ? 213 THR A CG2 1 ATOM 1621 N N . TYR A 1 214 ? -6.487 44.664 -17.358 1.00 6.39 ? 214 TYR A N 1 ATOM 1622 C CA . TYR A 1 214 ? -5.495 43.897 -16.610 1.00 6.49 ? 214 TYR A CA 1 ATOM 1623 C C . TYR A 1 214 ? -4.191 44.624 -16.420 1.00 6.41 ? 214 TYR A C 1 ATOM 1624 O O . TYR A 1 214 ? -3.700 45.370 -17.269 1.00 7.36 ? 214 TYR A O 1 ATOM 1625 C CB . TYR A 1 214 ? -5.270 42.534 -17.237 1.00 7.13 ? 214 TYR A CB 1 ATOM 1626 C CG . TYR A 1 214 ? -6.414 41.568 -17.060 1.00 7.00 ? 214 TYR A CG 1 ATOM 1627 C CD1 . TYR A 1 214 ? -6.549 40.851 -15.880 1.00 6.74 ? 214 TYR A CD1 1 ATOM 1628 C CD2 . TYR A 1 214 ? -7.392 41.423 -18.023 1.00 7.53 ? 214 TYR A CD2 1 ATOM 1629 C CE1 . TYR A 1 214 ? -7.590 39.948 -15.684 1.00 6.86 ? 214 TYR A CE1 1 ATOM 1630 C CE2 . TYR A 1 214 ? -8.444 40.532 -17.826 1.00 7.31 ? 214 TYR A CE2 1 ATOM 1631 C CZ . TYR A 1 214 ? -8.525 39.769 -16.676 1.00 6.51 ? 214 TYR A CZ 1 ATOM 1632 O OH . TYR A 1 214 ? -9.573 38.904 -16.551 1.00 7.49 ? 214 TYR A OH 1 ATOM 1633 N N . THR A 1 215 ? -3.573 44.303 -15.294 1.00 6.49 ? 215 THR A N 1 ATOM 1634 C CA . THR A 1 215 ? -2.252 44.779 -14.945 1.00 6.60 ? 215 THR A CA 1 ATOM 1635 C C . THR A 1 215 ? -1.476 43.648 -14.286 1.00 6.20 ? 215 THR A C 1 ATOM 1636 O O . THR A 1 215 ? -2.073 42.794 -13.615 1.00 6.75 ? 215 THR A O 1 ATOM 1637 C CB . THR A 1 215 ? -2.357 46.023 -14.063 1.00 6.76 ? 215 THR A CB 1 ATOM 1638 O OG1 . THR A 1 215 ? -1.108 46.696 -13.959 1.00 7.41 ? 215 THR A OG1 1 ATOM 1639 C CG2 . THR A 1 215 ? -2.837 45.723 -12.656 1.00 7.05 ? 215 THR A CG2 1 ATOM 1640 N N . PRO A 1 216 ? -0.129 43.628 -14.379 1.00 6.74 ? 216 PRO A N 1 ATOM 1641 C CA . PRO A 1 216 ? 0.591 42.533 -13.740 1.00 6.89 ? 216 PRO A CA 1 ATOM 1642 C C . PRO A 1 216 ? 0.435 42.535 -12.219 1.00 6.59 ? 216 PRO A C 1 ATOM 1643 O O . PRO A 1 216 ? 0.437 43.565 -11.556 1.00 6.94 ? 216 PRO A O 1 ATOM 1644 C CB . PRO A 1 216 ? 2.043 42.805 -14.122 1.00 8.17 ? 216 PRO A CB 1 ATOM 1645 C CG . PRO A 1 216 ? 1.924 43.486 -15.486 1.00 9.19 ? 216 PRO A CG 1 ATOM 1646 C CD . PRO A 1 216 ? 0.714 44.370 -15.325 1.00 7.51 ? 216 PRO A CD 1 ATOM 1647 N N . LEU A 1 217 ? 0.327 41.333 -11.667 1.00 6.59 ? 217 LEU A N 1 ATOM 1648 C CA . LEU A 1 217 ? 0.421 41.156 -10.224 1.00 6.45 ? 217 LEU A CA 1 ATOM 1649 C C . LEU A 1 217 ? 1.850 41.130 -9.800 1.00 6.56 ? 217 LEU A C 1 ATOM 1650 O O . LEU A 1 217 ? 2.613 40.273 -10.286 1.00 7.79 ? 217 LEU A O 1 ATOM 1651 C CB . LEU A 1 217 ? -0.284 39.832 -9.855 1.00 6.76 ? 217 LEU A CB 1 ATOM 1652 C CG . LEU A 1 217 ? -0.219 39.477 -8.369 1.00 7.26 ? 217 LEU A CG 1 ATOM 1653 C CD1 . LEU A 1 217 ? -0.850 40.552 -7.486 1.00 7.29 ? 217 LEU A CD1 1 ATOM 1654 C CD2 . LEU A 1 217 ? -0.965 38.137 -8.157 1.00 9.15 ? 217 LEU A CD2 1 ATOM 1655 N N . LEU A 1 218 ? 2.249 42.032 -8.925 1.00 6.56 ? 218 LEU A N 1 ATOM 1656 C CA . LEU A 1 218 ? 3.604 42.115 -8.432 1.00 6.84 ? 218 LEU A CA 1 ATOM 1657 C C . LEU A 1 218 ? 3.742 41.435 -7.088 1.00 6.85 ? 218 LEU A C 1 ATOM 1658 O O . LEU A 1 218 ? 2.744 41.244 -6.382 1.00 7.05 ? 218 LEU A O 1 ATOM 1659 C CB . LEU A 1 218 ? 4.037 43.594 -8.326 1.00 6.86 ? 218 LEU A CB 1 ATOM 1660 C CG . LEU A 1 218 ? 3.850 44.412 -9.616 1.00 7.62 ? 218 LEU A CG 1 ATOM 1661 C CD1 . LEU A 1 218 ? 4.372 45.825 -9.379 1.00 8.85 ? 218 LEU A CD1 1 ATOM 1662 C CD2 . LEU A 1 218 ? 4.524 43.770 -10.799 1.00 9.48 ? 218 LEU A CD2 1 ATOM 1663 N N . THR A 1 219 ? 4.972 41.059 -6.740 1.00 7.74 ? 219 THR A N 1 ATOM 1664 C CA . THR A 1 219 ? 5.317 40.422 -5.482 1.00 8.51 ? 219 THR A CA 1 ATOM 1665 C C . THR A 1 219 ? 6.251 41.303 -4.697 1.00 8.30 ? 219 THR A C 1 ATOM 1666 O O . THR A 1 219 ? 7.287 41.715 -5.238 1.00 10.59 ? 219 THR A O 1 ATOM 1667 C CB . THR A 1 219 ? 5.998 39.041 -5.699 1.00 9.97 ? 219 THR A CB 1 ATOM 1668 O OG1 . THR A 1 219 ? 5.125 38.220 -6.443 1.00 10.73 ? 219 THR A OG1 1 ATOM 1669 C CG2 . THR A 1 219 ? 6.311 38.373 -4.347 1.00 12.18 ? 219 THR A CG2 1 ATOM 1670 N N . ASN A 1 220 ? 5.937 41.579 -3.447 1.00 7.42 ? 220 ASN A N 1 ATOM 1671 C CA . ASN A 1 220 ? 6.864 42.238 -2.539 1.00 7.13 ? 220 ASN A CA 1 ATOM 1672 C C . ASN A 1 220 ? 7.703 41.149 -1.850 1.00 6.58 ? 220 ASN A C 1 ATOM 1673 O O . ASN A 1 220 ? 7.137 40.284 -1.202 1.00 7.27 ? 220 ASN A O 1 ATOM 1674 C CB . ASN A 1 220 ? 6.129 43.085 -1.543 1.00 7.83 ? 220 ASN A CB 1 ATOM 1675 C CG . ASN A 1 220 ? 7.040 43.922 -0.676 1.00 7.92 ? 220 ASN A CG 1 ATOM 1676 O OD1 . ASN A 1 220 ? 8.167 43.517 -0.375 1.00 8.60 ? 220 ASN A OD1 1 ATOM 1677 N ND2 . ASN A 1 220 ? 6.555 45.085 -0.235 1.00 9.81 ? 220 ASN A ND2 1 ATOM 1678 N N . PRO A 1 221 ? 9.048 41.174 -1.985 1.00 6.99 ? 221 PRO A N 1 ATOM 1679 C CA . PRO A 1 221 ? 9.861 40.110 -1.411 1.00 7.21 ? 221 PRO A CA 1 ATOM 1680 C C . PRO A 1 221 ? 9.975 40.116 0.100 1.00 6.62 ? 221 PRO A C 1 ATOM 1681 O O . PRO A 1 221 ? 10.578 39.179 0.641 1.00 7.54 ? 221 PRO A O 1 ATOM 1682 C CB . PRO A 1 221 ? 11.237 40.349 -2.049 1.00 8.94 ? 221 PRO A CB 1 ATOM 1683 C CG . PRO A 1 221 ? 11.284 41.807 -2.248 1.00 9.56 ? 221 PRO A CG 1 ATOM 1684 C CD . PRO A 1 221 ? 9.862 42.192 -2.699 1.00 7.63 ? 221 PRO A CD 1 ATOM 1685 N N . VAL A 1 222 ? 9.447 41.105 0.783 1.00 7.11 ? 222 VAL A N 1 ATOM 1686 C CA . VAL A 1 222 ? 9.478 41.167 2.261 1.00 8.06 ? 222 VAL A CA 1 ATOM 1687 C C . VAL A 1 222 ? 8.052 41.230 2.747 1.00 7.47 ? 222 VAL A C 1 ATOM 1688 O O . VAL A 1 222 ? 7.218 42.001 2.277 1.00 7.47 ? 222 VAL A O 1 ATOM 1689 C CB . VAL A 1 222 ? 10.311 42.345 2.757 1.00 9.40 ? 222 VAL A CB 1 ATOM 1690 C CG1 . VAL A 1 222 ? 10.291 42.431 4.277 1.00 11.08 ? 222 VAL A CG1 1 ATOM 1691 C CG2 . VAL A 1 222 ? 11.735 42.234 2.225 1.00 11.32 ? 222 VAL A CG2 1 ATOM 1692 N N . SER A 1 223 ? 7.780 40.428 3.763 1.00 8.63 ? 223 SER A N 1 ATOM 1693 C CA . SER A 1 223 ? 6.438 40.317 4.288 1.00 7.60 ? 223 SER A CA 1 ATOM 1694 C C . SER A 1 223 ? 5.880 41.639 4.759 1.00 7.41 ? 223 SER A C 1 ATOM 1695 O O . SER A 1 223 ? 6.572 42.458 5.355 1.00 9.31 ? 223 SER A O 1 ATOM 1696 C CB . SER A 1 223 ? 6.437 39.354 5.475 1.00 8.00 ? 223 SER A CB 1 ATOM 1697 O OG . SER A 1 223 ? 5.146 39.167 5.992 1.00 7.98 ? 223 SER A OG 1 ATOM 1698 N N . THR A 1 224 ? 4.584 41.811 4.538 1.00 7.09 ? 224 THR A N 1 ATOM 1699 C CA . THR A 1 224 ? 3.825 42.946 5.066 1.00 7.51 ? 224 THR A CA 1 ATOM 1700 C C . THR A 1 224 ? 2.954 42.536 6.230 1.00 8.03 ? 224 THR A C 1 ATOM 1701 O O . THR A 1 224 ? 2.154 43.333 6.710 1.00 10.43 ? 224 THR A O 1 ATOM 1702 C CB . THR A 1 224 ? 2.994 43.574 3.941 1.00 7.43 ? 224 THR A CB 1 ATOM 1703 O OG1 . THR A 1 224 ? 2.204 42.546 3.313 1.00 7.73 ? 224 THR A OG1 1 ATOM 1704 C CG2 . THR A 1 224 ? 3.864 44.279 2.933 1.00 8.63 ? 224 THR A CG2 1 ATOM 1705 N N . SER A 1 225 ? 3.116 41.310 6.729 1.00 8.06 ? 225 SER A N 1 ATOM 1706 C CA . SER A 1 225 ? 2.335 40.797 7.838 1.00 8.92 ? 225 SER A CA 1 ATOM 1707 C C . SER A 1 225 ? 2.891 41.276 9.170 1.00 8.98 ? 225 SER A C 1 ATOM 1708 O O . SER A 1 225 ? 4.036 41.662 9.274 1.00 9.66 ? 225 SER A O 1 ATOM 1709 C CB . SER A 1 225 ? 2.357 39.263 7.772 1.00 10.00 ? 225 SER A CB 1 ATOM 1710 O OG . SER A 1 225 ? 1.942 38.659 6.521 1.00 13.34 ? 225 SER A OG 1 ATOM 1711 N N . ALA A 1 226 ? 2.087 41.142 10.210 1.00 9.94 ? 226 ALA A N 1 ATOM 1712 C CA . ALA A 1 226 ? 2.504 41.477 11.562 1.00 10.94 ? 226 ALA A CA 1 ATOM 1713 C C . ALA A 1 226 ? 3.567 40.520 12.083 1.00 10.71 ? 226 ALA A C 1 ATOM 1714 O O . ALA A 1 226 ? 4.388 40.879 12.915 1.00 15.49 ? 226 ALA A O 1 ATOM 1715 C CB . ALA A 1 226 ? 1.289 41.473 12.509 1.00 12.75 ? 226 ALA A CB 1 ATOM 1716 N N . THR A 1 227 ? 3.516 39.286 11.635 1.00 10.43 ? 227 THR A N 1 ATOM 1717 C CA . THR A 1 227 ? 4.509 38.244 11.996 1.00 12.06 ? 227 THR A CA 1 ATOM 1718 C C . THR A 1 227 ? 5.014 37.713 10.693 1.00 11.34 ? 227 THR A C 1 ATOM 1719 O O . THR A 1 227 ? 4.271 37.628 9.707 1.00 13.15 ? 227 THR A O 1 ATOM 1720 C CB . THR A 1 227 ? 3.955 37.033 12.794 1.00 15.54 ? 227 THR A CB 1 ATOM 1721 O OG1 . THR A 1 227 ? 3.054 36.291 11.942 1.00 17.21 ? 227 THR A OG1 1 ATOM 1722 C CG2 . THR A 1 227 ? 3.343 37.533 14.062 1.00 18.11 ? 227 THR A CG2 1 ATOM 1723 N N . SER A 1 228 ? 6.254 37.293 10.687 1.00 11.25 ? 228 SER A N 1 ATOM 1724 C CA . SER A 1 228 ? 6.831 36.697 9.525 1.00 10.19 ? 228 SER A CA 1 ATOM 1725 C C . SER A 1 228 ? 8.176 36.096 9.889 1.00 12.66 ? 228 SER A C 1 ATOM 1726 O O . SER A 1 228 ? 8.754 36.362 10.955 1.00 17.82 ? 228 SER A O 1 ATOM 1727 C CB . SER A 1 228 ? 7.025 37.709 8.434 1.00 9.98 ? 228 SER A CB 1 ATOM 1728 O OG . SER A 1 228 ? 7.933 38.694 8.831 1.00 13.39 ? 228 SER A OG 1 ATOM 1729 N N . THR A 1 229 ? 8.720 35.328 8.969 1.00 13.16 ? 229 THR A N 1 ATOM 1730 C CA . THR A 1 229 ? 10.070 34.818 9.148 1.00 15.57 ? 229 THR A CA 1 ATOM 1731 C C . THR A 1 229 ? 10.991 35.509 8.157 1.00 13.22 ? 229 THR A C 1 ATOM 1732 O O . THR A 1 229 ? 10.562 36.019 7.107 1.00 12.01 ? 229 THR A O 1 ATOM 1733 C CB . THR A 1 229 ? 10.091 33.285 8.960 1.00 18.67 ? 229 THR A CB 1 ATOM 1734 O OG1 . THR A 1 229 ? 9.608 32.955 7.640 1.00 14.37 ? 229 THR A OG1 1 ATOM 1735 C CG2 . THR A 1 229 ? 9.240 32.614 10.032 1.00 23.27 ? 229 THR A CG2 1 ATOM 1736 N N . GLN A 1 230 ? 12.289 35.421 8.422 1.00 15.14 ? 230 GLN A N 1 ATOM 1737 C CA . GLN A 1 230 ? 13.267 36.071 7.588 1.00 14.44 ? 230 GLN A CA 1 ATOM 1738 C C . GLN A 1 230 ? 13.244 35.425 6.226 1.00 10.94 ? 230 GLN A C 1 ATOM 1739 O O . GLN A 1 230 ? 13.312 34.189 6.104 1.00 11.94 ? 230 GLN A O 1 ATOM 1740 C CB . GLN A 1 230 ? 14.652 35.954 8.224 1.00 16.77 ? 230 GLN A CB 1 ATOM 1741 C CG . GLN A 1 230 ? 15.739 36.692 7.489 1.00 20.97 ? 230 GLN A CG 1 ATOM 1742 C CD . GLN A 1 230 ? 15.484 38.189 7.458 1.00 29.33 ? 230 GLN A CD 1 ATOM 1743 O OE1 . GLN A 1 230 ? 15.108 38.801 8.473 1.00 36.91 ? 230 GLN A OE1 1 ATOM 1744 N NE2 . GLN A 1 230 ? 15.626 38.781 6.271 1.00 33.05 ? 230 GLN A NE2 1 ATOM 1745 N N . GLY A 1 231 ? 13.147 36.256 5.207 1.00 10.33 ? 231 GLY A N 1 ATOM 1746 C CA . GLY A 1 231 ? 13.157 35.812 3.847 1.00 9.96 ? 231 GLY A CA 1 ATOM 1747 C C . GLY A 1 231 ? 11.766 35.503 3.275 1.00 8.76 ? 231 GLY A C 1 ATOM 1748 O O . GLY A 1 231 ? 11.653 35.141 2.107 1.00 9.33 ? 231 GLY A O 1 ATOM 1749 N N . GLU A 1 232 ? 10.712 35.611 4.062 1.00 8.21 ? 232 GLU A N 1 ATOM 1750 C CA . GLU A 1 232 ? 9.356 35.310 3.618 1.00 7.35 ? 232 GLU A CA 1 ATOM 1751 C C . GLU A 1 232 ? 8.815 36.477 2.792 1.00 7.03 ? 232 GLU A C 1 ATOM 1752 O O . GLU A 1 232 ? 8.826 37.613 3.267 1.00 8.06 ? 232 GLU A O 1 ATOM 1753 C CB . GLU A 1 232 ? 8.466 35.124 4.846 1.00 7.70 ? 232 GLU A CB 1 ATOM 1754 C CG . GLU A 1 232 ? 7.035 34.848 4.494 1.00 8.23 ? 232 GLU A CG 1 ATOM 1755 C CD . GLU A 1 232 ? 6.111 34.813 5.680 1.00 9.29 ? 232 GLU A CD 1 ATOM 1756 O OE1 . GLU A 1 232 ? 6.560 34.890 6.855 1.00 11.27 ? 232 GLU A OE1 1 ATOM 1757 O OE2 . GLU A 1 232 ? 4.866 34.722 5.446 1.00 10.32 ? 232 GLU A OE2 1 ATOM 1758 N N . PRO A 1 233 ? 8.253 36.207 1.606 1.00 6.84 ? 233 PRO A N 1 ATOM 1759 C CA . PRO A 1 233 ? 7.670 37.296 0.810 1.00 6.68 ? 233 PRO A CA 1 ATOM 1760 C C . PRO A 1 233 ? 6.313 37.695 1.339 1.00 5.79 ? 233 PRO A C 1 ATOM 1761 O O . PRO A 1 233 ? 5.651 36.940 2.059 1.00 7.04 ? 233 PRO A O 1 ATOM 1762 C CB . PRO A 1 233 ? 7.557 36.675 -0.560 1.00 8.38 ? 233 PRO A CB 1 ATOM 1763 C CG . PRO A 1 233 ? 7.409 35.176 -0.281 1.00 9.58 ? 233 PRO A CG 1 ATOM 1764 C CD . PRO A 1 233 ? 8.197 34.909 0.908 1.00 8.30 ? 233 PRO A CD 1 ATOM 1765 N N . SER A 1 234 ? 5.852 38.878 0.953 1.00 6.05 ? 234 SER A N 1 ATOM 1766 C CA . SER A 1 234 ? 4.491 39.287 1.260 1.00 5.78 ? 234 SER A CA 1 ATOM 1767 C C . SER A 1 234 ? 3.494 38.369 0.518 1.00 5.57 ? 234 SER A C 1 ATOM 1768 O O . SER A 1 234 ? 3.681 38.013 -0.624 1.00 6.93 ? 234 SER A O 1 ATOM 1769 C CB . SER A 1 234 ? 4.263 40.720 0.819 1.00 5.62 ? 234 SER A CB 1 ATOM 1770 O OG . SER A 1 234 ? 2.912 41.118 0.993 1.00 5.99 ? 234 SER A OG 1 ATOM 1771 N N . VAL A 1 235 ? 2.386 38.099 1.224 1.00 5.64 ? 235 VAL A N 1 ATOM 1772 C CA . VAL A 1 235 ? 1.265 37.366 0.635 1.00 6.09 ? 235 VAL A CA 1 ATOM 1773 C C . VAL A 1 235 ? 0.211 38.269 0.014 1.00 5.54 ? 235 VAL A C 1 ATOM 1774 O O . VAL A 1 235 ? -0.841 37.799 -0.427 1.00 6.14 ? 235 VAL A O 1 ATOM 1775 C CB . VAL A 1 235 ? 0.590 36.452 1.733 1.00 7.84 ? 235 VAL A CB 1 ATOM 1776 C CG1 . VAL A 1 235 ? 1.627 35.501 2.333 1.00 9.38 ? 235 VAL A CG1 1 ATOM 1777 C CG2 . VAL A 1 235 ? -0.151 37.236 2.813 1.00 10.20 ? 235 VAL A CG2 1 ATOM 1778 N N . GLU A 1 236 ? 0.499 39.565 -0.047 1.00 5.30 ? 236 GLU A N 1 ATOM 1779 C CA . GLU A 1 236 ? -0.457 40.567 -0.522 1.00 5.14 ? 236 GLU A CA 1 ATOM 1780 C C . GLU A 1 236 ? -0.341 40.827 -2.010 1.00 5.15 ? 236 GLU A C 1 ATOM 1781 O O . GLU A 1 236 ? 0.612 40.453 -2.698 1.00 5.95 ? 236 GLU A O 1 ATOM 1782 C CB . GLU A 1 236 ? -0.283 41.827 0.310 1.00 5.56 ? 236 GLU A CB 1 ATOM 1783 C CG . GLU A 1 236 ? -0.625 41.588 1.795 1.00 6.04 ? 236 GLU A CG 1 ATOM 1784 C CD . GLU A 1 236 ? -1.077 42.831 2.455 1.00 6.28 ? 236 GLU A CD 1 ATOM 1785 O OE1 . GLU A 1 236 ? -2.187 43.295 2.102 1.00 7.20 ? 236 GLU A OE1 1 ATOM 1786 O OE2 . GLU A 1 236 ? -0.323 43.379 3.303 1.00 7.84 ? 236 GLU A OE2 1 ATOM 1787 N N . TYR A 1 237 ? -1.385 41.521 -2.507 1.00 5.04 ? 237 TYR A N 1 ATOM 1788 C CA . TYR A 1 237 ? -1.533 41.807 -3.914 1.00 5.10 ? 237 TYR A CA 1 ATOM 1789 C C . TYR A 1 237 ? -1.075 43.228 -4.222 1.00 5.00 ? 237 TYR A C 1 ATOM 1790 O O . TYR A 1 237 ? -1.673 44.206 -3.785 1.00 6.05 ? 237 TYR A O 1 ATOM 1791 C CB . TYR A 1 237 ? -3.013 41.643 -4.315 1.00 5.25 ? 237 TYR A CB 1 ATOM 1792 C CG . TYR A 1 237 ? -3.538 40.251 -4.067 1.00 5.08 ? 237 TYR A CG 1 ATOM 1793 C CD1 . TYR A 1 237 ? -3.373 39.252 -4.998 1.00 5.55 ? 237 TYR A CD1 1 ATOM 1794 C CD2 . TYR A 1 237 ? -4.165 39.937 -2.874 1.00 5.28 ? 237 TYR A CD2 1 ATOM 1795 C CE1 . TYR A 1 237 ? -3.807 37.956 -4.744 1.00 5.40 ? 237 TYR A CE1 1 ATOM 1796 C CE2 . TYR A 1 237 ? -4.631 38.647 -2.626 1.00 5.06 ? 237 TYR A CE2 1 ATOM 1797 C CZ . TYR A 1 237 ? -4.419 37.660 -3.544 1.00 4.97 ? 237 TYR A CZ 1 ATOM 1798 O OH . TYR A 1 237 ? -4.791 36.346 -3.333 1.00 5.49 ? 237 TYR A OH 1 ATOM 1799 N N . PHE A 1 238 ? 0.034 43.316 -4.956 1.00 5.24 ? 238 PHE A N 1 ATOM 1800 C CA . PHE A 1 238 ? 0.657 44.571 -5.362 1.00 5.65 ? 238 PHE A CA 1 ATOM 1801 C C . PHE A 1 238 ? 0.436 44.804 -6.846 1.00 5.40 ? 238 PHE A C 1 ATOM 1802 O O . PHE A 1 238 ? 0.455 43.842 -7.639 1.00 5.96 ? 238 PHE A O 1 ATOM 1803 C CB . PHE A 1 238 ? 2.168 44.573 -5.053 1.00 5.63 ? 238 PHE A CB 1 ATOM 1804 C CG . PHE A 1 238 ? 2.489 44.735 -3.581 1.00 5.88 ? 238 PHE A CG 1 ATOM 1805 C CD1 . PHE A 1 238 ? 2.375 43.748 -2.647 1.00 7.38 ? 238 PHE A CD1 1 ATOM 1806 C CD2 . PHE A 1 238 ? 2.932 46.000 -3.140 1.00 7.04 ? 238 PHE A CD2 1 ATOM 1807 C CE1 . PHE A 1 238 ? 2.650 44.023 -1.277 1.00 7.72 ? 238 PHE A CE1 1 ATOM 1808 C CE2 . PHE A 1 238 ? 3.228 46.249 -1.827 1.00 8.04 ? 238 PHE A CE2 1 ATOM 1809 C CZ . PHE A 1 238 ? 3.039 45.271 -0.922 1.00 8.39 ? 238 PHE A CZ 1 ATOM 1810 N N . ILE A 1 239 ? 0.274 46.073 -7.215 1.00 5.70 ? 239 ILE A N 1 ATOM 1811 C CA . ILE A 1 239 ? 0.175 46.452 -8.627 1.00 5.88 ? 239 ILE A CA 1 ATOM 1812 C C . ILE A 1 239 ? 1.134 47.633 -8.865 1.00 5.89 ? 239 ILE A C 1 ATOM 1813 O O . ILE A 1 239 ? 1.487 48.368 -7.943 1.00 6.72 ? 239 ILE A O 1 ATOM 1814 C CB . ILE A 1 239 ? -1.265 46.809 -9.049 1.00 6.32 ? 239 ILE A CB 1 ATOM 1815 C CG1 . ILE A 1 239 ? -1.840 47.989 -8.259 1.00 7.13 ? 239 ILE A CG1 1 ATOM 1816 C CG2 . ILE A 1 239 ? -2.149 45.574 -8.963 1.00 6.68 ? 239 ILE A CG2 1 ATOM 1817 C CD1 . ILE A 1 239 ? -3.165 48.512 -8.798 1.00 8.95 ? 239 ILE A CD1 1 ATOM 1818 N N . GLY A 1 240 ? 1.500 47.826 -10.119 1.00 6.01 ? 240 GLY A N 1 ATOM 1819 C CA . GLY A 1 240 ? 2.538 48.785 -10.453 1.00 6.52 ? 240 GLY A CA 1 ATOM 1820 C C . GLY A 1 240 ? 1.973 50.139 -10.879 1.00 6.54 ? 240 GLY A C 1 ATOM 1821 O O . GLY A 1 240 ? 1.975 50.488 -12.045 1.00 8.86 ? 240 GLY A O 1 ATOM 1822 N N . VAL A 1 241 ? 1.583 50.957 -9.899 1.00 6.73 ? 241 VAL A N 1 ATOM 1823 C CA . VAL A 1 241 ? 1.238 52.362 -10.174 1.00 6.83 ? 241 VAL A CA 1 ATOM 1824 C C . VAL A 1 241 ? 2.539 53.096 -10.438 1.00 7.40 ? 241 VAL A C 1 ATOM 1825 O O . VAL A 1 241 ? 3.454 53.086 -9.609 1.00 9.25 ? 241 VAL A O 1 ATOM 1826 C CB . VAL A 1 241 ? 0.469 52.987 -9.000 1.00 7.26 ? 241 VAL A CB 1 ATOM 1827 C CG1 . VAL A 1 241 ? 0.242 54.476 -9.260 1.00 7.94 ? 241 VAL A CG1 1 ATOM 1828 C CG2 . VAL A 1 241 ? -0.849 52.264 -8.792 1.00 7.73 ? 241 VAL A CG2 1 ATOM 1829 N N . LYS A 1 242 ? 2.591 53.730 -11.602 1.00 7.26 ? 242 LYS A N 1 ATOM 1830 C CA . LYS A 1 242 ? 3.728 54.522 -12.035 1.00 8.17 ? 242 LYS A CA 1 ATOM 1831 C C . LYS A 1 242 ? 3.560 56.015 -11.877 1.00 7.67 ? 242 LYS A C 1 ATOM 1832 O O . LYS A 1 242 ? 4.551 56.721 -11.714 1.00 9.38 ? 242 LYS A O 1 ATOM 1833 C CB . LYS A 1 242 ? 4.099 54.170 -13.467 1.00 10.14 ? 242 LYS A CB 1 ATOM 1834 C CG . LYS A 1 242 ? 4.690 52.809 -13.630 1.00 12.33 ? 242 LYS A CG 1 ATOM 1835 C CD . LYS A 1 242 ? 5.494 52.512 -14.800 1.00 16.08 ? 242 LYS A CD 1 ATOM 1836 C CE . LYS A 1 242 ? 5.330 53.348 -16.016 1.00 25.25 ? 242 LYS A CE 1 ATOM 1837 N NZ . LYS A 1 242 ? 6.101 52.704 -17.128 1.00 32.62 ? 242 LYS A NZ 1 ATOM 1838 N N . SER A 1 243 ? 2.331 56.500 -12.005 1.00 7.93 ? 243 SER A N 1 ATOM 1839 C CA A SER A 1 243 ? 2.038 57.920 -11.930 0.50 7.91 ? 243 SER A CA 1 ATOM 1840 C CA B SER A 1 243 ? 2.020 57.925 -11.979 0.50 7.58 ? 243 SER A CA 1 ATOM 1841 C C . SER A 1 243 ? 0.581 58.097 -11.528 1.00 7.48 ? 243 SER A C 1 ATOM 1842 O O . SER A 1 243 ? -0.202 57.133 -11.577 1.00 7.83 ? 243 SER A O 1 ATOM 1843 C CB A SER A 1 243 ? 2.374 58.630 -13.245 0.50 9.17 ? 243 SER A CB 1 ATOM 1844 C CB B SER A 1 243 ? 2.116 58.541 -13.363 0.50 7.92 ? 243 SER A CB 1 ATOM 1845 O OG A SER A 1 243 ? 1.645 58.173 -14.381 0.50 12.77 ? 243 SER A OG 1 ATOM 1846 O OG B SER A 1 243 ? 3.356 58.370 -13.974 0.50 8.97 ? 243 SER A OG 1 ATOM 1847 N N . ILE A 1 244 ? 0.244 59.304 -11.097 1.00 7.79 ? 244 ILE A N 1 ATOM 1848 C CA . ILE A 1 244 ? -1.121 59.685 -10.798 1.00 7.50 ? 244 ILE A CA 1 ATOM 1849 C C . ILE A 1 244 ? -1.440 60.953 -11.595 1.00 7.75 ? 244 ILE A C 1 ATOM 1850 O O . ILE A 1 244 ? -0.627 61.871 -11.619 1.00 8.11 ? 244 ILE A O 1 ATOM 1851 C CB . ILE A 1 244 ? -1.335 59.901 -9.296 1.00 8.04 ? 244 ILE A CB 1 ATOM 1852 C CG1 . ILE A 1 244 ? -1.138 58.606 -8.546 1.00 8.65 ? 244 ILE A CG1 1 ATOM 1853 C CG2 . ILE A 1 244 ? -2.751 60.475 -9.035 1.00 9.31 ? 244 ILE A CG2 1 ATOM 1854 C CD1 . ILE A 1 244 ? -1.328 58.702 -7.043 1.00 10.18 ? 244 ILE A CD1 1 ATOM 1855 N N . LYS A 1 245 ? -2.613 60.984 -12.210 1.00 7.84 ? 245 LYS A N 1 ATOM 1856 C CA . LYS A 1 245 ? -3.160 62.176 -12.839 1.00 7.94 ? 245 LYS A CA 1 ATOM 1857 C C . LYS A 1 245 ? -4.432 62.581 -12.132 1.00 7.98 ? 245 LYS A C 1 ATOM 1858 O O . LYS A 1 245 ? -5.219 61.731 -11.700 1.00 9.40 ? 245 LYS A O 1 ATOM 1859 C CB . LYS A 1 245 ? -3.428 61.939 -14.316 1.00 9.09 ? 245 LYS A CB 1 ATOM 1860 C CG . LYS A 1 245 ? -2.215 61.614 -15.141 1.00 11.10 ? 245 LYS A CG 1 ATOM 1861 C CD . LYS A 1 245 ? -2.559 61.379 -16.597 1.00 15.35 ? 245 LYS A CD 1 ATOM 1862 C CE . LYS A 1 245 ? -1.313 61.230 -17.457 1.00 20.78 ? 245 LYS A CE 1 ATOM 1863 N NZ . LYS A 1 245 ? -1.166 62.094 -18.678 1.00 31.92 ? 245 LYS A NZ 1 ATOM 1864 N N . ILE A 1 246 ? -4.642 63.893 -12.022 1.00 7.73 ? 246 ILE A N 1 ATOM 1865 C CA . ILE A 1 246 ? -5.908 64.430 -11.498 1.00 8.07 ? 246 ILE A CA 1 ATOM 1866 C C . ILE A 1 246 ? -6.401 65.416 -12.531 1.00 9.10 ? 246 ILE A C 1 ATOM 1867 O O . ILE A 1 246 ? -5.646 66.325 -12.978 1.00 9.92 ? 246 ILE A O 1 ATOM 1868 C CB . ILE A 1 246 ? -5.758 65.053 -10.110 1.00 8.98 ? 246 ILE A CB 1 ATOM 1869 C CG1 . ILE A 1 246 ? -5.375 63.935 -9.116 1.00 9.10 ? 246 ILE A CG1 1 ATOM 1870 C CG2 . ILE A 1 246 ? -7.029 65.756 -9.693 1.00 11.40 ? 246 ILE A CG2 1 ATOM 1871 C CD1 . ILE A 1 246 ? -5.195 64.362 -7.654 1.00 11.48 ? 246 ILE A CD1 1 ATOM 1872 N N . ASN A 1 247 ? -7.642 65.254 -12.979 1.00 10.22 ? 247 ASN A N 1 ATOM 1873 C CA . ASN A 1 247 ? -8.145 66.063 -14.079 1.00 11.54 ? 247 ASN A CA 1 ATOM 1874 C C . ASN A 1 247 ? -7.189 66.020 -15.267 1.00 11.13 ? 247 ASN A C 1 ATOM 1875 O O . ASN A 1 247 ? -7.006 67.009 -15.931 1.00 13.12 ? 247 ASN A O 1 ATOM 1876 C CB . ASN A 1 247 ? -8.418 67.496 -13.645 1.00 12.59 ? 247 ASN A CB 1 ATOM 1877 C CG . ASN A 1 247 ? -9.317 68.222 -14.598 1.00 15.80 ? 247 ASN A CG 1 ATOM 1878 O OD1 . ASN A 1 247 ? -10.144 67.616 -15.281 1.00 19.15 ? 247 ASN A OD1 1 ATOM 1879 N ND2 . ASN A 1 247 ? -9.160 69.535 -14.655 1.00 20.20 ? 247 ASN A ND2 1 ATOM 1880 N N . SER A 1 248 ? -6.643 64.856 -15.560 1.00 10.63 ? 248 SER A N 1 ATOM 1881 C CA . SER A 1 248 ? -5.798 64.563 -16.699 1.00 12.38 ? 248 SER A CA 1 ATOM 1882 C C . SER A 1 248 ? -4.434 65.199 -16.649 1.00 12.54 ? 248 SER A C 1 ATOM 1883 O O . SER A 1 248 ? -3.725 65.163 -17.635 1.00 16.76 ? 248 SER A O 1 ATOM 1884 C CB . SER A 1 248 ? -6.493 64.874 -18.037 1.00 15.83 ? 248 SER A CB 1 ATOM 1885 O OG . SER A 1 248 ? -7.707 64.159 -18.164 1.00 23.40 ? 248 SER A OG 1 ATOM 1886 N N . LYS A 1 249 ? -4.052 65.760 -15.515 1.00 11.03 ? 249 LYS A N 1 ATOM 1887 C CA . LYS A 1 249 ? -2.751 66.405 -15.342 1.00 10.53 ? 249 LYS A CA 1 ATOM 1888 C C . LYS A 1 249 ? -1.921 65.613 -14.377 1.00 9.59 ? 249 LYS A C 1 ATOM 1889 O O . LYS A 1 249 ? -2.399 65.219 -13.313 1.00 8.86 ? 249 LYS A O 1 ATOM 1890 C CB . LYS A 1 249 ? -2.950 67.849 -14.837 1.00 12.57 ? 249 LYS A CB 1 ATOM 1891 C CG . LYS A 1 249 ? -3.825 68.739 -15.712 1.00 17.63 ? 249 LYS A CG 1 ATOM 1892 C CD . LYS A 1 249 ? -4.118 70.078 -15.013 1.00 21.43 ? 249 LYS A CD 1 ATOM 1893 C CE . LYS A 1 249 ? -5.053 70.978 -15.764 1.00 25.26 ? 249 LYS A CE 1 ATOM 1894 N NZ . LYS A 1 249 ? -5.496 72.058 -14.855 1.00 29.23 ? 249 LYS A NZ 1 ATOM 1895 N N . ILE A 1 250 ? -0.656 65.388 -14.701 1.00 11.03 ? 250 ILE A N 1 ATOM 1896 C CA . ILE A 1 250 ? 0.251 64.662 -13.831 1.00 10.66 ? 250 ILE A CA 1 ATOM 1897 C C . ILE A 1 250 ? 0.344 65.377 -12.486 1.00 9.52 ? 250 ILE A C 1 ATOM 1898 O O . ILE A 1 250 ? 0.524 66.593 -12.450 1.00 12.75 ? 250 ILE A O 1 ATOM 1899 C CB . ILE A 1 250 ? 1.651 64.495 -14.507 1.00 12.54 ? 250 ILE A CB 1 ATOM 1900 C CG1 . ILE A 1 250 ? 1.616 63.380 -15.617 1.00 14.13 ? 250 ILE A CG1 1 ATOM 1901 C CG2 . ILE A 1 250 ? 2.758 64.186 -13.521 1.00 12.42 ? 250 ILE A CG2 1 ATOM 1902 C CD1 . ILE A 1 250 ? 1.623 61.964 -15.074 1.00 16.33 ? 250 ILE A CD1 1 ATOM 1903 N N . VAL A 1 251 ? 0.295 64.598 -11.399 1.00 8.32 ? 251 VAL A N 1 ATOM 1904 C CA . VAL A 1 251 ? 0.620 65.003 -10.068 1.00 8.84 ? 251 VAL A CA 1 ATOM 1905 C C . VAL A 1 251 ? 2.027 64.518 -9.805 1.00 8.25 ? 251 VAL A C 1 ATOM 1906 O O . VAL A 1 251 ? 2.224 63.319 -9.714 1.00 10.16 ? 251 VAL A O 1 ATOM 1907 C CB . VAL A 1 251 ? -0.389 64.401 -9.050 1.00 10.91 ? 251 VAL A CB 1 ATOM 1908 C CG1 . VAL A 1 251 ? -0.027 64.760 -7.631 1.00 12.82 ? 251 VAL A CG1 1 ATOM 1909 C CG2 . VAL A 1 251 ? -1.817 64.823 -9.400 1.00 14.72 ? 251 VAL A CG2 1 ATOM 1910 N N . ALA A 1 252 ? 2.993 65.388 -9.718 1.00 10.46 ? 252 ALA A N 1 ATOM 1911 C CA . ALA A 1 252 ? 4.376 64.934 -9.605 1.00 10.94 ? 252 ALA A CA 1 ATOM 1912 C C . ALA A 1 252 ? 4.618 64.202 -8.307 1.00 9.30 ? 252 ALA A C 1 ATOM 1913 O O . ALA A 1 252 ? 4.294 64.747 -7.262 1.00 11.27 ? 252 ALA A O 1 ATOM 1914 C CB . ALA A 1 252 ? 5.310 66.136 -9.723 1.00 14.37 ? 252 ALA A CB 1 ATOM 1915 N N . LEU A 1 253 ? 5.146 62.998 -8.380 1.00 8.69 ? 253 LEU A N 1 ATOM 1916 C CA . LEU A 1 253 ? 5.365 62.138 -7.214 1.00 8.58 ? 253 LEU A CA 1 ATOM 1917 C C . LEU A 1 253 ? 6.817 61.728 -7.125 1.00 8.72 ? 253 LEU A C 1 ATOM 1918 O O . LEU A 1 253 ? 7.571 61.726 -8.116 1.00 9.54 ? 253 LEU A O 1 ATOM 1919 C CB . LEU A 1 253 ? 4.516 60.879 -7.284 1.00 9.19 ? 253 LEU A CB 1 ATOM 1920 C CG . LEU A 1 253 ? 3.026 61.095 -7.291 1.00 9.74 ? 253 LEU A CG 1 ATOM 1921 C CD1 . LEU A 1 253 ? 2.299 59.787 -7.432 1.00 12.39 ? 253 LEU A CD1 1 ATOM 1922 C CD2 . LEU A 1 253 ? 2.541 61.847 -6.037 1.00 11.04 ? 253 LEU A CD2 1 ATOM 1923 N N . ASN A 1 254 ? 7.216 61.349 -5.899 1.00 9.63 ? 254 ASN A N 1 ATOM 1924 C CA . ASN A 1 254 ? 8.507 60.721 -5.697 1.00 9.83 ? 254 ASN A CA 1 ATOM 1925 C C . ASN A 1 254 ? 8.426 59.273 -6.142 1.00 9.05 ? 254 ASN A C 1 ATOM 1926 O O . ASN A 1 254 ? 7.887 58.422 -5.415 1.00 9.95 ? 254 ASN A O 1 ATOM 1927 C CB . ASN A 1 254 ? 8.860 60.841 -4.226 1.00 11.30 ? 254 ASN A CB 1 ATOM 1928 C CG . ASN A 1 254 ? 10.190 60.228 -3.914 1.00 10.95 ? 254 ASN A CG 1 ATOM 1929 O OD1 . ASN A 1 254 ? 10.806 59.541 -4.745 1.00 12.56 ? 254 ASN A OD1 1 ATOM 1930 N ND2 . ASN A 1 254 ? 10.666 60.520 -2.726 1.00 12.06 ? 254 ASN A ND2 1 ATOM 1931 N N . THR A 1 255 ? 8.941 58.986 -7.323 1.00 9.79 ? 255 THR A N 1 ATOM 1932 C CA . THR A 1 255 ? 8.792 57.669 -7.934 1.00 11.49 ? 255 THR A CA 1 ATOM 1933 C C . THR A 1 255 ? 9.520 56.567 -7.215 1.00 10.55 ? 255 THR A C 1 ATOM 1934 O O . THR A 1 255 ? 9.102 55.386 -7.317 1.00 11.68 ? 255 THR A O 1 ATOM 1935 C CB . THR A 1 255 ? 9.246 57.663 -9.418 1.00 13.57 ? 255 THR A CB 1 ATOM 1936 O OG1 . THR A 1 255 ? 10.611 58.071 -9.481 1.00 17.14 ? 255 THR A OG1 1 ATOM 1937 C CG2 . THR A 1 255 ? 8.355 58.588 -10.249 1.00 16.21 ? 255 THR A CG2 1 ATOM 1938 N N . SER A 1 256 ? 10.523 56.892 -6.417 1.00 10.78 ? 256 SER A N 1 ATOM 1939 C CA A SER A 1 256 ? 11.133 55.834 -5.675 0.50 11.47 ? 256 SER A CA 1 ATOM 1940 C CA B SER A 1 256 ? 11.162 55.902 -5.599 0.50 11.48 ? 256 SER A CA 1 ATOM 1941 C C . SER A 1 256 ? 10.176 55.219 -4.671 1.00 10.54 ? 256 SER A C 1 ATOM 1942 O O . SER A 1 256 ? 10.296 54.020 -4.382 1.00 13.16 ? 256 SER A O 1 ATOM 1943 C CB A SER A 1 256 ? 12.396 56.300 -4.984 0.50 12.74 ? 256 SER A CB 1 ATOM 1944 C CB B SER A 1 256 ? 12.294 56.524 -4.778 0.50 11.41 ? 256 SER A CB 1 ATOM 1945 O OG A SER A 1 256 ? 12.092 57.174 -3.934 0.50 15.61 ? 256 SER A OG 1 ATOM 1946 O OG B SER A 1 256 ? 13.038 55.485 -4.173 0.50 14.46 ? 256 SER A OG 1 ATOM 1947 N N . LEU A 1 257 ? 9.178 55.973 -4.235 1.00 8.64 ? 257 LEU A N 1 ATOM 1948 C CA . LEU A 1 257 ? 8.176 55.445 -3.311 1.00 8.30 ? 257 LEU A CA 1 ATOM 1949 C C . LEU A 1 257 ? 7.235 54.481 -3.998 1.00 7.96 ? 257 LEU A C 1 ATOM 1950 O O . LEU A 1 257 ? 6.593 53.665 -3.321 1.00 7.99 ? 257 LEU A O 1 ATOM 1951 C CB . LEU A 1 257 ? 7.385 56.570 -2.695 1.00 8.90 ? 257 LEU A CB 1 ATOM 1952 C CG . LEU A 1 257 ? 8.157 57.502 -1.802 1.00 10.57 ? 257 LEU A CG 1 ATOM 1953 C CD1 . LEU A 1 257 ? 7.243 58.668 -1.430 1.00 14.13 ? 257 LEU A CD1 1 ATOM 1954 C CD2 . LEU A 1 257 ? 8.604 56.753 -0.592 1.00 15.24 ? 257 LEU A CD2 1 ATOM 1955 N N . LEU A 1 258 ? 7.088 54.586 -5.301 1.00 9.21 ? 258 LEU A N 1 ATOM 1956 C CA . LEU A 1 258 ? 6.182 53.721 -6.068 1.00 8.95 ? 258 LEU A CA 1 ATOM 1957 C C . LEU A 1 258 ? 6.777 52.376 -6.424 1.00 9.09 ? 258 LEU A C 1 ATOM 1958 O O . LEU A 1 258 ? 6.056 51.439 -6.640 1.00 10.39 ? 258 LEU A O 1 ATOM 1959 C CB . LEU A 1 258 ? 5.703 54.470 -7.317 1.00 9.50 ? 258 LEU A CB 1 ATOM 1960 C CG . LEU A 1 258 ? 5.002 55.813 -7.041 1.00 10.40 ? 258 LEU A CG 1 ATOM 1961 C CD1 . LEU A 1 258 ? 4.676 56.448 -8.411 1.00 12.01 ? 258 LEU A CD1 1 ATOM 1962 C CD2 . LEU A 1 258 ? 3.741 55.647 -6.225 1.00 12.38 ? 258 LEU A CD2 1 ATOM 1963 N N . SER A 1 259 ? 8.095 52.297 -6.480 1.00 9.98 ? 259 SER A N 1 ATOM 1964 C CA A SER A 1 259 ? 8.831 51.061 -6.620 0.50 10.35 ? 259 SER A CA 1 ATOM 1965 C CA B SER A 1 259 ? 8.783 51.033 -6.661 0.50 10.70 ? 259 SER A CA 1 ATOM 1966 C C . SER A 1 259 ? 8.885 50.339 -5.294 1.00 10.20 ? 259 SER A C 1 ATOM 1967 O O . SER A 1 259 ? 8.744 50.986 -4.247 1.00 11.85 ? 259 SER A O 1 ATOM 1968 C CB A SER A 1 259 ? 10.235 51.389 -7.071 0.50 11.65 ? 259 SER A CB 1 ATOM 1969 C CB B SER A 1 259 ? 10.156 51.255 -7.289 0.50 13.10 ? 259 SER A CB 1 ATOM 1970 O OG A SER A 1 259 ? 10.139 51.858 -8.394 0.50 15.58 ? 259 SER A OG 1 ATOM 1971 O OG B SER A 1 259 ? 10.918 52.147 -6.509 0.50 15.97 ? 259 SER A OG 1 ATOM 1972 N N . ILE A 1 260 ? 9.010 49.008 -5.347 1.00 13.09 ? 260 ILE A N 1 ATOM 1973 C CA . ILE A 1 260 ? 9.166 48.145 -4.170 1.00 12.29 ? 260 ILE A CA 1 ATOM 1974 C C . ILE A 1 260 ? 10.664 47.876 -4.085 1.00 13.76 ? 260 ILE A C 1 ATOM 1975 O O . ILE A 1 260 ? 11.286 47.250 -4.950 1.00 16.39 ? 260 ILE A O 1 ATOM 1976 C CB . ILE A 1 260 ? 8.428 46.801 -4.280 1.00 13.09 ? 260 ILE A CB 1 ATOM 1977 C CG1 . ILE A 1 260 ? 6.923 47.017 -4.495 1.00 14.02 ? 260 ILE A CG1 1 ATOM 1978 C CG2 . ILE A 1 260 ? 8.735 45.947 -3.059 1.00 13.89 ? 260 ILE A CG2 1 ATOM 1979 C CD1 . ILE A 1 260 ? 6.179 45.738 -4.861 1.00 15.29 ? 260 ILE A CD1 1 ATOM 1980 N N . SER A 1 261 ? 11.268 48.339 -3.009 1.00 14.22 ? 261 SER A N 1 ATOM 1981 C CA . SER A 1 261 ? 12.683 48.087 -2.798 1.00 15.97 ? 261 SER A CA 1 ATOM 1982 C C . SER A 1 261 ? 12.968 46.633 -2.394 1.00 17.07 ? 261 SER A C 1 ATOM 1983 O O . SER A 1 261 ? 12.089 45.865 -2.038 1.00 17.18 ? 261 SER A O 1 ATOM 1984 C CB . SER A 1 261 ? 13.186 49.046 -1.730 1.00 15.59 ? 261 SER A CB 1 ATOM 1985 O OG . SER A 1 261 ? 12.853 48.613 -0.410 1.00 19.58 ? 261 SER A OG 1 ATOM 1986 N N . SER A 1 262 ? 14.248 46.232 -2.502 1.00 19.49 ? 262 SER A N 1 ATOM 1987 C CA . SER A 1 262 ? 14.680 44.892 -2.064 1.00 21.50 ? 262 SER A CA 1 ATOM 1988 C C . SER A 1 262 ? 14.388 44.614 -0.584 1.00 18.60 ? 262 SER A C 1 ATOM 1989 O O . SER A 1 262 ? 14.177 43.450 -0.215 1.00 21.76 ? 262 SER A O 1 ATOM 1990 C CB . SER A 1 262 ? 16.164 44.677 -2.352 1.00 26.27 ? 262 SER A CB 1 ATOM 1991 O OG . SER A 1 262 ? 16.913 45.524 -1.501 1.00 30.35 ? 262 SER A OG 1 ATOM 1992 N N . ALA A 1 263 ? 14.319 45.669 0.238 1.00 19.21 ? 263 ALA A N 1 ATOM 1993 C CA . ALA A 1 263 ? 13.880 45.614 1.656 1.00 19.77 ? 263 ALA A CA 1 ATOM 1994 C C . ALA A 1 263 ? 12.408 45.675 1.884 1.00 16.69 ? 263 ALA A C 1 ATOM 1995 O O . ALA A 1 263 ? 11.954 45.700 3.029 1.00 18.87 ? 263 ALA A O 1 ATOM 1996 C CB . ALA A 1 263 ? 14.489 46.763 2.405 1.00 23.20 ? 263 ALA A CB 1 ATOM 1997 N N . GLY A 1 264 ? 11.681 45.721 0.789 1.00 17.06 ? 264 GLY A N 1 ATOM 1998 C CA . GLY A 1 264 ? 10.273 45.598 0.817 1.00 14.27 ? 264 GLY A CA 1 ATOM 1999 C C . GLY A 1 264 ? 9.493 46.887 1.075 1.00 11.61 ? 264 GLY A C 1 ATOM 2000 O O . GLY A 1 264 ? 8.301 46.801 1.358 1.00 10.86 ? 264 GLY A O 1 ATOM 2001 N N . LEU A 1 265 ? 10.121 48.058 0.911 1.00 12.21 ? 265 LEU A N 1 ATOM 2002 C CA . LEU A 1 265 ? 9.425 49.323 1.156 1.00 10.72 ? 265 LEU A CA 1 ATOM 2003 C C . LEU A 1 265 ? 8.903 49.918 -0.142 1.00 10.44 ? 265 LEU A C 1 ATOM 2004 O O . LEU A 1 265 ? 9.621 49.959 -1.129 1.00 12.82 ? 265 LEU A O 1 ATOM 2005 C CB . LEU A 1 265 ? 10.353 50.290 1.837 1.00 13.41 ? 265 LEU A CB 1 ATOM 2006 C CG . LEU A 1 265 ? 10.964 49.832 3.156 1.00 17.94 ? 265 LEU A CG 1 ATOM 2007 C CD1 . LEU A 1 265 ? 11.818 50.989 3.681 1.00 24.13 ? 265 LEU A CD1 1 ATOM 2008 C CD2 . LEU A 1 265 ? 9.927 49.423 4.170 1.00 18.89 ? 265 LEU A CD2 1 ATOM 2009 N N . GLY A 1 266 ? 7.669 50.411 -0.113 1.00 8.86 ? 266 GLY A N 1 ATOM 2010 C CA . GLY A 1 266 ? 7.094 51.121 -1.211 1.00 8.12 ? 266 GLY A CA 1 ATOM 2011 C C . GLY A 1 266 ? 6.022 50.337 -1.936 1.00 6.97 ? 266 GLY A C 1 ATOM 2012 O O . GLY A 1 266 ? 5.519 49.313 -1.463 1.00 9.28 ? 266 GLY A O 1 ATOM 2013 N N . GLY A 1 267 ? 5.671 50.825 -3.092 1.00 6.72 ? 267 GLY A N 1 ATOM 2014 C CA . GLY A 1 267 ? 4.698 50.179 -3.921 1.00 6.73 ? 267 GLY A CA 1 ATOM 2015 C C . GLY A 1 267 ? 3.253 50.472 -3.544 1.00 5.70 ? 267 GLY A C 1 ATOM 2016 O O . GLY A 1 267 ? 2.971 51.308 -2.684 1.00 6.47 ? 267 GLY A O 1 ATOM 2017 N N . THR A 1 268 ? 2.372 49.759 -4.242 1.00 5.85 ? 268 THR A N 1 ATOM 2018 C CA . THR A 1 268 ? 0.926 49.899 -4.161 1.00 5.57 ? 268 THR A CA 1 ATOM 2019 C C . THR A 1 268 ? 0.327 48.534 -3.935 1.00 5.32 ? 268 THR A C 1 ATOM 2020 O O . THR A 1 268 ? 0.557 47.614 -4.727 1.00 5.80 ? 268 THR A O 1 ATOM 2021 C CB . THR A 1 268 ? 0.342 50.497 -5.433 1.00 5.79 ? 268 THR A CB 1 ATOM 2022 O OG1 . THR A 1 268 ? 0.877 51.807 -5.664 1.00 6.57 ? 268 THR A OG1 1 ATOM 2023 C CG2 . THR A 1 268 ? -1.169 50.636 -5.342 1.00 6.31 ? 268 THR A CG2 1 ATOM 2024 N N . LYS A 1 269 ? -0.475 48.393 -2.864 1.00 5.30 ? 269 LYS A N 1 ATOM 2025 C CA . LYS A 1 269 ? -1.204 47.144 -2.613 1.00 5.30 ? 269 LYS A CA 1 ATOM 2026 C C . LYS A 1 269 ? -2.692 47.472 -2.506 1.00 5.23 ? 269 LYS A C 1 ATOM 2027 O O . LYS A 1 269 ? -3.100 48.622 -2.353 1.00 6.04 ? 269 LYS A O 1 ATOM 2028 C CB . LYS A 1 269 ? -0.701 46.387 -1.389 1.00 6.12 ? 269 LYS A CB 1 ATOM 2029 C CG . LYS A 1 269 ? -1.185 46.972 -0.074 1.00 6.55 ? 269 LYS A CG 1 ATOM 2030 C CD . LYS A 1 269 ? -0.529 46.327 1.154 1.00 6.77 ? 269 LYS A CD 1 ATOM 2031 C CE . LYS A 1 269 ? -1.279 46.701 2.407 1.00 7.42 ? 269 LYS A CE 1 ATOM 2032 N NZ . LYS A 1 269 ? -0.705 46.127 3.626 1.00 7.64 ? 269 LYS A NZ 1 ATOM 2033 N N . ILE A 1 270 ? -3.495 46.402 -2.528 1.00 5.31 ? 270 ILE A N 1 ATOM 2034 C CA . ILE A 1 270 ? -4.945 46.501 -2.409 1.00 5.00 ? 270 ILE A CA 1 ATOM 2035 C C . ILE A 1 270 ? -5.344 45.852 -1.076 1.00 5.00 ? 270 ILE A C 1 ATOM 2036 O O . ILE A 1 270 ? -4.873 44.762 -0.746 1.00 6.36 ? 270 ILE A O 1 ATOM 2037 C CB . ILE A 1 270 ? -5.628 45.822 -3.609 1.00 5.96 ? 270 ILE A CB 1 ATOM 2038 C CG1 . ILE A 1 270 ? -5.144 46.449 -4.932 1.00 7.59 ? 270 ILE A CG1 1 ATOM 2039 C CG2 . ILE A 1 270 ? -7.129 45.907 -3.489 1.00 6.78 ? 270 ILE A CG2 1 ATOM 2040 C CD1 . ILE A 1 270 ? -5.592 45.733 -6.181 1.00 10.02 ? 270 ILE A CD1 1 ATOM 2041 N N . SER A 1 271 ? -6.227 46.519 -0.328 1.00 5.24 ? 271 SER A N 1 ATOM 2042 C CA . SER A 1 271 ? -6.610 46.088 1.010 1.00 5.23 ? 271 SER A CA 1 ATOM 2043 C C . SER A 1 271 ? -8.127 46.206 1.215 1.00 5.19 ? 271 SER A C 1 ATOM 2044 O O . SER A 1 271 ? -8.733 47.177 0.787 1.00 6.24 ? 271 SER A O 1 ATOM 2045 C CB . SER A 1 271 ? -5.934 46.992 2.016 1.00 6.00 ? 271 SER A CB 1 ATOM 2046 O OG . SER A 1 271 ? -6.452 46.763 3.322 1.00 6.83 ? 271 SER A OG 1 ATOM 2047 N N . THR A 1 272 ? -8.678 45.242 1.960 1.00 4.71 ? 272 THR A N 1 ATOM 2048 C CA . THR A 1 272 ? -10.026 45.352 2.438 1.00 4.92 ? 272 THR A CA 1 ATOM 2049 C C . THR A 1 272 ? -10.170 45.751 3.902 1.00 4.96 ? 272 THR A C 1 ATOM 2050 O O . THR A 1 272 ? -11.291 45.925 4.371 1.00 5.69 ? 272 THR A O 1 ATOM 2051 C CB . THR A 1 272 ? -10.797 44.025 2.211 1.00 5.11 ? 272 THR A CB 1 ATOM 2052 O OG1 . THR A 1 272 ? -10.089 42.974 2.860 1.00 5.34 ? 272 THR A OG1 1 ATOM 2053 C CG2 . THR A 1 272 ? -10.928 43.729 0.752 1.00 6.24 ? 272 THR A CG2 1 ATOM 2054 N N . ILE A 1 273 ? -9.059 45.852 4.603 1.00 5.27 ? 273 ILE A N 1 ATOM 2055 C CA . ILE A 1 273 ? -9.093 46.163 6.050 1.00 5.66 ? 273 ILE A CA 1 ATOM 2056 C C . ILE A 1 273 ? -8.741 47.604 6.339 1.00 6.09 ? 273 ILE A C 1 ATOM 2057 O O . ILE A 1 273 ? -8.859 48.028 7.486 1.00 7.52 ? 273 ILE A O 1 ATOM 2058 C CB . ILE A 1 273 ? -8.286 45.129 6.873 1.00 6.43 ? 273 ILE A CB 1 ATOM 2059 C CG1 . ILE A 1 273 ? -6.781 45.176 6.575 1.00 6.95 ? 273 ILE A CG1 1 ATOM 2060 C CG2 . ILE A 1 273 ? -8.904 43.747 6.672 1.00 7.37 ? 273 ILE A CG2 1 ATOM 2061 C CD1 . ILE A 1 273 ? -6.038 46.264 7.349 1.00 8.66 ? 273 ILE A CD1 1 ATOM 2062 N N . ASN A 1 274 ? -8.326 48.359 5.336 1.00 5.80 ? 274 ASN A N 1 ATOM 2063 C CA . ASN A 1 274 ? -8.193 49.806 5.423 1.00 6.18 ? 274 ASN A CA 1 ATOM 2064 C C . ASN A 1 274 ? -9.412 50.386 4.716 1.00 5.94 ? 274 ASN A C 1 ATOM 2065 O O . ASN A 1 274 ? -9.565 50.142 3.520 1.00 6.46 ? 274 ASN A O 1 ATOM 2066 C CB . ASN A 1 274 ? -6.893 50.234 4.729 1.00 6.52 ? 274 ASN A CB 1 ATOM 2067 C CG . ASN A 1 274 ? -5.680 49.628 5.364 1.00 7.00 ? 274 ASN A CG 1 ATOM 2068 O OD1 . ASN A 1 274 ? -5.216 50.150 6.430 1.00 10.81 ? 274 ASN A OD1 1 ATOM 2069 N ND2 . ASN A 1 274 ? -5.163 48.574 4.817 1.00 5.84 ? 274 ASN A ND2 1 ATOM 2070 N N . PRO A 1 275 ? -10.291 51.109 5.429 1.00 6.08 ? 275 PRO A N 1 ATOM 2071 C CA A PRO A 1 275 ? -11.550 51.521 4.795 0.50 6.55 ? 275 PRO A CA 1 ATOM 2072 C CA B PRO A 1 275 ? -11.543 51.525 4.816 0.50 6.66 ? 275 PRO A CA 1 ATOM 2073 C C . PRO A 1 275 ? -11.369 52.593 3.729 1.00 5.78 ? 275 PRO A C 1 ATOM 2074 O O . PRO A 1 275 ? -12.243 52.725 2.877 1.00 6.58 ? 275 PRO A O 1 ATOM 2075 C CB A PRO A 1 275 ? -12.391 52.033 5.952 0.50 6.96 ? 275 PRO A CB 1 ATOM 2076 C CB B PRO A 1 275 ? -12.358 52.048 6.001 0.50 7.58 ? 275 PRO A CB 1 ATOM 2077 C CG A PRO A 1 275 ? -11.409 52.422 6.995 0.50 6.25 ? 275 PRO A CG 1 ATOM 2078 C CG B PRO A 1 275 ? -11.810 51.365 7.257 0.50 9.24 ? 275 PRO A CG 1 ATOM 2079 C CD A PRO A 1 275 ? -10.256 51.448 6.868 0.50 6.53 ? 275 PRO A CD 1 ATOM 2080 C CD B PRO A 1 275 ? -10.332 51.220 6.917 0.50 7.36 ? 275 PRO A CD 1 ATOM 2081 N N . TYR A 1 276 ? -10.298 53.371 3.806 1.00 5.97 ? 276 TYR A N 1 ATOM 2082 C CA . TYR A 1 276 ? -9.997 54.431 2.860 1.00 6.12 ? 276 TYR A CA 1 ATOM 2083 C C . TYR A 1 276 ? -8.575 54.277 2.384 1.00 6.02 ? 276 TYR A C 1 ATOM 2084 O O . TYR A 1 276 ? -7.704 53.848 3.126 1.00 7.73 ? 276 TYR A O 1 ATOM 2085 C CB . TYR A 1 276 ? -10.201 55.833 3.502 1.00 6.86 ? 276 TYR A CB 1 ATOM 2086 C CG . TYR A 1 276 ? -11.594 55.979 4.048 1.00 7.23 ? 276 TYR A CG 1 ATOM 2087 C CD1 . TYR A 1 276 ? -12.680 56.072 3.219 1.00 7.62 ? 276 TYR A CD1 1 ATOM 2088 C CD2 . TYR A 1 276 ? -11.845 55.993 5.415 1.00 8.23 ? 276 TYR A CD2 1 ATOM 2089 C CE1 . TYR A 1 276 ? -13.984 56.141 3.723 1.00 9.10 ? 276 TYR A CE1 1 ATOM 2090 C CE2 . TYR A 1 276 ? -13.137 56.091 5.918 1.00 9.88 ? 276 TYR A CE2 1 ATOM 2091 C CZ . TYR A 1 276 ? -14.183 56.166 5.070 1.00 10.07 ? 276 TYR A CZ 1 ATOM 2092 O OH . TYR A 1 276 ? -15.440 56.275 5.598 1.00 14.68 ? 276 TYR A OH 1 ATOM 2093 N N . THR A 1 277 ? -8.325 54.653 1.138 1.00 5.97 ? 277 THR A N 1 ATOM 2094 C CA . THR A 1 277 ? -6.974 54.560 0.591 1.00 5.80 ? 277 THR A CA 1 ATOM 2095 C C . THR A 1 277 ? -6.010 55.367 1.469 1.00 6.00 ? 277 THR A C 1 ATOM 2096 O O . THR A 1 277 ? -6.272 56.506 1.829 1.00 7.02 ? 277 THR A O 1 ATOM 2097 C CB . THR A 1 277 ? -6.995 55.054 -0.857 1.00 5.93 ? 277 THR A CB 1 ATOM 2098 O OG1 . THR A 1 277 ? -7.669 54.071 -1.655 1.00 6.25 ? 277 THR A OG1 1 ATOM 2099 C CG2 . THR A 1 277 ? -5.632 55.297 -1.460 1.00 7.59 ? 277 THR A CG2 1 ATOM 2100 N N . VAL A 1 278 ? -4.868 54.732 1.759 1.00 5.86 ? 278 VAL A N 1 ATOM 2101 C CA . VAL A 1 278 ? -3.848 55.282 2.613 1.00 6.26 ? 278 VAL A CA 1 ATOM 2102 C C . VAL A 1 278 ? -2.655 55.671 1.776 1.00 6.41 ? 278 VAL A C 1 ATOM 2103 O O . VAL A 1 278 ? -2.147 54.855 0.997 1.00 7.25 ? 278 VAL A O 1 ATOM 2104 C CB . VAL A 1 278 ? -3.402 54.277 3.715 1.00 6.81 ? 278 VAL A CB 1 ATOM 2105 C CG1 . VAL A 1 278 ? -2.409 54.912 4.657 1.00 7.91 ? 278 VAL A CG1 1 ATOM 2106 C CG2 . VAL A 1 278 ? -4.585 53.671 4.442 1.00 7.91 ? 278 VAL A CG2 1 ATOM 2107 N N . LEU A 1 279 ? -2.179 56.918 1.940 1.00 6.51 ? 279 LEU A N 1 ATOM 2108 C CA . LEU A 1 279 ? -1.075 57.435 1.152 1.00 6.57 ? 279 LEU A CA 1 ATOM 2109 C C . LEU A 1 279 ? 0.062 57.879 2.057 1.00 7.11 ? 279 LEU A C 1 ATOM 2110 O O . LEU A 1 279 ? -0.155 58.607 3.037 1.00 7.99 ? 279 LEU A O 1 ATOM 2111 C CB . LEU A 1 279 ? -1.549 58.637 0.351 1.00 7.03 ? 279 LEU A CB 1 ATOM 2112 C CG . LEU A 1 279 ? -2.715 58.395 -0.607 1.00 6.81 ? 279 LEU A CG 1 ATOM 2113 C CD1 . LEU A 1 279 ? -3.169 59.695 -1.258 1.00 7.87 ? 279 LEU A CD1 1 ATOM 2114 C CD2 . LEU A 1 279 ? -2.346 57.349 -1.686 1.00 7.35 ? 279 LEU A CD2 1 ATOM 2115 N N . GLU A 1 280 ? 1.270 57.500 1.694 1.00 7.23 ? 280 GLU A N 1 ATOM 2116 C CA . GLU A 1 280 ? 2.479 58.058 2.350 1.00 8.21 ? 280 GLU A CA 1 ATOM 2117 C C . GLU A 1 280 ? 2.390 59.591 2.311 1.00 7.65 ? 280 GLU A C 1 ATOM 2118 O O . GLU A 1 280 ? 1.876 60.156 1.332 1.00 7.82 ? 280 GLU A O 1 ATOM 2119 C CB . GLU A 1 280 ? 3.723 57.519 1.650 1.00 8.74 ? 280 GLU A CB 1 ATOM 2120 C CG . GLU A 1 280 ? 5.048 57.969 2.215 1.00 9.95 ? 280 GLU A CG 1 ATOM 2121 C CD . GLU A 1 280 ? 5.509 59.340 1.740 1.00 11.57 ? 280 GLU A CD 1 ATOM 2122 O OE1 . GLU A 1 280 ? 6.305 60.000 2.399 1.00 17.15 ? 280 GLU A OE1 1 ATOM 2123 O OE2 . GLU A 1 280 ? 5.042 59.792 0.686 1.00 11.46 ? 280 GLU A OE2 1 ATOM 2124 N N . THR A 1 281 ? 2.915 60.260 3.326 1.00 8.44 ? 281 THR A N 1 ATOM 2125 C CA . THR A 1 281 ? 2.637 61.699 3.486 1.00 8.90 ? 281 THR A CA 1 ATOM 2126 C C . THR A 1 281 ? 2.981 62.545 2.245 1.00 8.35 ? 281 THR A C 1 ATOM 2127 O O . THR A 1 281 ? 2.207 63.435 1.904 1.00 8.83 ? 281 THR A O 1 ATOM 2128 C CB . THR A 1 281 ? 3.323 62.262 4.731 1.00 10.73 ? 281 THR A CB 1 ATOM 2129 O OG1 . THR A 1 281 ? 2.908 61.516 5.867 1.00 12.24 ? 281 THR A OG1 1 ATOM 2130 C CG2 . THR A 1 281 ? 2.999 63.701 4.932 1.00 13.55 ? 281 THR A CG2 1 ATOM 2131 N N . SER A 1 282 ? 4.140 62.332 1.630 1.00 8.71 ? 282 SER A N 1 ATOM 2132 C CA . SER A 1 282 ? 4.462 63.174 0.482 1.00 9.41 ? 282 SER A CA 1 ATOM 2133 C C . SER A 1 282 ? 3.482 62.967 -0.673 1.00 8.09 ? 282 SER A C 1 ATOM 2134 O O . SER A 1 282 ? 3.119 63.901 -1.382 1.00 8.66 ? 282 SER A O 1 ATOM 2135 C CB . SER A 1 282 ? 5.918 63.000 0.029 1.00 9.77 ? 282 SER A CB 1 ATOM 2136 O OG . SER A 1 282 ? 6.165 61.764 -0.664 1.00 9.99 ? 282 SER A OG 1 ATOM 2137 N N . ILE A 1 283 ? 3.044 61.716 -0.861 1.00 7.57 ? 283 ILE A N 1 ATOM 2138 C CA . ILE A 1 283 ? 2.057 61.408 -1.907 1.00 7.31 ? 283 ILE A CA 1 ATOM 2139 C C . ILE A 1 283 ? 0.706 62.033 -1.506 1.00 7.20 ? 283 ILE A C 1 ATOM 2140 O O . ILE A 1 283 ? 0.021 62.614 -2.330 1.00 7.77 ? 283 ILE A O 1 ATOM 2141 C CB . ILE A 1 283 ? 1.945 59.895 -2.124 1.00 7.23 ? 283 ILE A CB 1 ATOM 2142 C CG1 . ILE A 1 283 ? 3.297 59.327 -2.581 1.00 7.71 ? 283 ILE A CG1 1 ATOM 2143 C CG2 . ILE A 1 283 ? 0.857 59.570 -3.113 1.00 7.15 ? 283 ILE A CG2 1 ATOM 2144 C CD1 . ILE A 1 283 ? 3.299 57.807 -2.774 1.00 9.10 ? 283 ILE A CD1 1 ATOM 2145 N N . TYR A 1 284 ? 0.340 61.885 -0.244 1.00 7.32 ? 284 TYR A N 1 ATOM 2146 C CA . TYR A 1 284 ? -0.853 62.480 0.285 1.00 7.86 ? 284 TYR A CA 1 ATOM 2147 C C . TYR A 1 284 ? -0.887 63.978 0.038 1.00 7.80 ? 284 TYR A C 1 ATOM 2148 O O . TYR A 1 284 ? -1.896 64.519 -0.414 1.00 8.21 ? 284 TYR A O 1 ATOM 2149 C CB . TYR A 1 284 ? -0.953 62.205 1.790 1.00 8.26 ? 284 TYR A CB 1 ATOM 2150 C CG . TYR A 1 284 ? -2.120 62.799 2.457 1.00 9.01 ? 284 TYR A CG 1 ATOM 2151 C CD1 . TYR A 1 284 ? -3.371 62.165 2.454 1.00 9.21 ? 284 TYR A CD1 1 ATOM 2152 C CD2 . TYR A 1 284 ? -2.006 64.008 3.085 1.00 11.66 ? 284 TYR A CD2 1 ATOM 2153 C CE1 . TYR A 1 284 ? -4.439 62.712 3.139 1.00 11.90 ? 284 TYR A CE1 1 ATOM 2154 C CE2 . TYR A 1 284 ? -3.076 64.571 3.770 1.00 14.04 ? 284 TYR A CE2 1 ATOM 2155 C CZ . TYR A 1 284 ? -4.284 63.901 3.808 1.00 14.03 ? 284 TYR A CZ 1 ATOM 2156 O OH . TYR A 1 284 ? -5.352 64.424 4.465 1.00 19.70 ? 284 TYR A OH 1 ATOM 2157 N N . LYS A 1 285 ? 0.212 64.665 0.358 1.00 8.13 ? 285 LYS A N 1 ATOM 2158 C CA . LYS A 1 285 ? 0.276 66.105 0.154 1.00 8.91 ? 285 LYS A CA 1 ATOM 2159 C C . LYS A 1 285 ? 0.089 66.454 -1.324 1.00 8.58 ? 285 LYS A C 1 ATOM 2160 O O . LYS A 1 285 ? -0.661 67.341 -1.685 1.00 9.50 ? 285 LYS A O 1 ATOM 2161 C CB . LYS A 1 285 ? 1.606 66.636 0.680 1.00 9.91 ? 285 LYS A CB 1 ATOM 2162 C CG . LYS A 1 285 ? 1.833 68.094 0.460 1.00 13.51 ? 285 LYS A CG 1 ATOM 2163 C CD . LYS A 1 285 ? 3.153 68.584 1.045 1.00 17.07 ? 285 LYS A CD 1 ATOM 2164 C CE . LYS A 1 285 ? 3.597 69.964 0.546 1.00 22.13 ? 285 LYS A CE 1 ATOM 2165 N NZ . LYS A 1 285 ? 2.722 70.952 1.157 1.00 26.80 ? 285 LYS A NZ 1 ATOM 2166 N N . ALA A 1 286 ? 0.811 65.757 -2.188 1.00 8.56 ? 286 ALA A N 1 ATOM 2167 C CA . ALA A 1 286 ? 0.750 66.043 -3.612 1.00 9.11 ? 286 ALA A CA 1 ATOM 2168 C C . ALA A 1 286 ? -0.667 65.841 -4.174 1.00 8.50 ? 286 ALA A C 1 ATOM 2169 O O . ALA A 1 286 ? -1.179 66.650 -4.924 1.00 8.86 ? 286 ALA A O 1 ATOM 2170 C CB . ALA A 1 286 ? 1.787 65.246 -4.358 1.00 9.53 ? 286 ALA A CB 1 ATOM 2171 N N . VAL A 1 287 ? -1.252 64.702 -3.827 1.00 8.06 ? 287 VAL A N 1 ATOM 2172 C CA . VAL A 1 287 ? -2.583 64.339 -4.312 1.00 7.89 ? 287 VAL A CA 1 ATOM 2173 C C . VAL A 1 287 ? -3.635 65.299 -3.765 1.00 7.94 ? 287 VAL A C 1 ATOM 2174 O O . VAL A 1 287 ? -4.462 65.821 -4.548 1.00 8.69 ? 287 VAL A O 1 ATOM 2175 C CB . VAL A 1 287 ? -2.884 62.873 -3.945 1.00 8.02 ? 287 VAL A CB 1 ATOM 2176 C CG1 . VAL A 1 287 ? -4.379 62.558 -4.114 1.00 8.98 ? 287 VAL A CG1 1 ATOM 2177 C CG2 . VAL A 1 287 ? -2.033 61.941 -4.780 1.00 8.85 ? 287 VAL A CG2 1 ATOM 2178 N N . THR A 1 288 ? -3.640 65.522 -2.468 1.00 8.59 ? 288 THR A N 1 ATOM 2179 C CA . THR A 1 288 ? -4.658 66.399 -1.901 1.00 9.14 ? 288 THR A CA 1 ATOM 2180 C C . THR A 1 288 ? -4.517 67.827 -2.413 1.00 9.01 ? 288 THR A C 1 ATOM 2181 O O . THR A 1 288 ? -5.521 68.449 -2.730 1.00 9.54 ? 288 THR A O 1 ATOM 2182 C CB . THR A 1 288 ? -4.685 66.372 -0.376 1.00 9.63 ? 288 THR A CB 1 ATOM 2183 O OG1 . THR A 1 288 ? -3.408 66.768 0.163 1.00 9.71 ? 288 THR A OG1 1 ATOM 2184 C CG2 . THR A 1 288 ? -5.115 65.032 0.210 1.00 10.77 ? 288 THR A CG2 1 ATOM 2185 N N . GLU A 1 289 ? -3.301 68.337 -2.510 1.00 8.88 ? 289 GLU A N 1 ATOM 2186 C CA . GLU A 1 289 ? -3.119 69.711 -3.004 1.00 9.54 ? 289 GLU A CA 1 ATOM 2187 C C . GLU A 1 289 ? -3.604 69.863 -4.441 1.00 9.88 ? 289 GLU A C 1 ATOM 2188 O O . GLU A 1 289 ? -4.309 70.843 -4.770 1.00 10.18 ? 289 GLU A O 1 ATOM 2189 C CB . GLU A 1 289 ? -1.687 70.185 -2.839 1.00 10.75 ? 289 GLU A CB 1 ATOM 2190 C CG . GLU A 1 289 ? -1.338 70.416 -1.382 1.00 12.77 ? 289 GLU A CG 1 ATOM 2191 C CD . GLU A 1 289 ? 0.048 70.920 -1.136 1.00 19.41 ? 289 GLU A CD 1 ATOM 2192 O OE1 . GLU A 1 289 ? 0.856 70.944 -2.086 1.00 24.24 ? 289 GLU A OE1 1 ATOM 2193 O OE2 . GLU A 1 289 ? 0.343 71.267 0.027 1.00 26.12 ? 289 GLU A OE2 1 ATOM 2194 N N . ALA A 1 290 ? -3.283 68.891 -5.307 1.00 9.37 ? 290 ALA A N 1 ATOM 2195 C CA . ALA A 1 290 ? -3.747 68.954 -6.672 1.00 9.51 ? 290 ALA A CA 1 ATOM 2196 C C . ALA A 1 290 ? -5.257 68.823 -6.734 1.00 9.39 ? 290 ALA A C 1 ATOM 2197 O O . ALA A 1 290 ? -5.924 69.483 -7.521 1.00 9.95 ? 290 ALA A O 1 ATOM 2198 C CB . ALA A 1 290 ? -3.112 67.887 -7.530 1.00 10.72 ? 290 ALA A CB 1 ATOM 2199 N N . PHE A 1 291 ? -5.841 67.942 -5.922 1.00 8.49 ? 291 PHE A N 1 ATOM 2200 C CA . PHE A 1 291 ? -7.288 67.762 -5.935 1.00 8.21 ? 291 PHE A CA 1 ATOM 2201 C C . PHE A 1 291 ? -7.991 69.015 -5.491 1.00 8.38 ? 291 PHE A C 1 ATOM 2202 O O . PHE A 1 291 ? -9.007 69.390 -6.076 1.00 9.03 ? 291 PHE A O 1 ATOM 2203 C CB . PHE A 1 291 ? -7.669 66.562 -5.067 1.00 8.60 ? 291 PHE A CB 1 ATOM 2204 C CG . PHE A 1 291 ? -9.062 66.069 -5.324 1.00 8.28 ? 291 PHE A CG 1 ATOM 2205 C CD1 . PHE A 1 291 ? -9.329 65.166 -6.336 1.00 9.24 ? 291 PHE A CD1 1 ATOM 2206 C CD2 . PHE A 1 291 ? -10.116 66.532 -4.566 1.00 8.84 ? 291 PHE A CD2 1 ATOM 2207 C CE1 . PHE A 1 291 ? -10.609 64.745 -6.544 1.00 10.74 ? 291 PHE A CE1 1 ATOM 2208 C CE2 . PHE A 1 291 ? -11.398 66.112 -4.782 1.00 10.47 ? 291 PHE A CE2 1 ATOM 2209 C CZ . PHE A 1 291 ? -11.665 65.242 -5.771 1.00 11.05 ? 291 PHE A CZ 1 ATOM 2210 N N . ILE A 1 292 ? -7.472 69.660 -4.463 1.00 8.70 ? 292 ILE A N 1 ATOM 2211 C CA . ILE A 1 292 ? -8.048 70.927 -3.973 1.00 8.85 ? 292 ILE A CA 1 ATOM 2212 C C . ILE A 1 292 ? -7.978 71.971 -5.067 1.00 9.31 ? 292 ILE A C 1 ATOM 2213 O O . ILE A 1 292 ? -8.954 72.702 -5.310 1.00 9.82 ? 292 ILE A O 1 ATOM 2214 C CB . ILE A 1 292 ? -7.296 71.397 -2.700 1.00 9.38 ? 292 ILE A CB 1 ATOM 2215 C CG1 . ILE A 1 292 ? -7.621 70.483 -1.508 1.00 9.56 ? 292 ILE A CG1 1 ATOM 2216 C CG2 . ILE A 1 292 ? -7.664 72.844 -2.376 1.00 10.50 ? 292 ILE A CG2 1 ATOM 2217 C CD1 . ILE A 1 292 ? -6.633 70.560 -0.394 1.00 11.25 ? 292 ILE A CD1 1 ATOM 2218 N N . LYS A 1 293 ? -6.849 72.070 -5.760 1.00 9.72 ? 293 LYS A N 1 ATOM 2219 C CA . LYS A 1 293 ? -6.682 73.097 -6.823 1.00 10.31 ? 293 LYS A CA 1 ATOM 2220 C C . LYS A 1 293 ? -7.631 72.832 -7.981 1.00 9.86 ? 293 LYS A C 1 ATOM 2221 O O . LYS A 1 293 ? -8.287 73.743 -8.507 1.00 11.45 ? 293 LYS A O 1 ATOM 2222 C CB . LYS A 1 293 ? -5.208 73.082 -7.261 1.00 11.65 ? 293 LYS A CB 1 ATOM 2223 C CG . LYS A 1 293 ? -4.912 74.066 -8.336 1.00 15.74 ? 293 LYS A CG 1 ATOM 2224 C CD . LYS A 1 293 ? -3.452 74.166 -8.691 1.00 20.83 ? 293 LYS A CD 1 ATOM 2225 C CE . LYS A 1 293 ? -3.256 74.883 -10.056 1.00 27.40 ? 293 LYS A CE 1 ATOM 2226 N NZ . LYS A 1 293 ? -2.117 75.838 -10.200 1.00 37.94 ? 293 LYS A NZ 1 ATOM 2227 N N . GLU A 1 294 ? -7.711 71.564 -8.418 1.00 10.20 ? 294 GLU A N 1 ATOM 2228 C CA . GLU A 1 294 ? -8.586 71.243 -9.532 1.00 10.15 ? 294 GLU A CA 1 ATOM 2229 C C . GLU A 1 294 ? -10.049 71.428 -9.147 1.00 10.31 ? 294 GLU A C 1 ATOM 2230 O O . GLU A 1 294 ? -10.884 71.788 -10.001 1.00 12.01 ? 294 GLU A O 1 ATOM 2231 C CB . GLU A 1 294 ? -8.305 69.860 -10.086 1.00 10.81 ? 294 GLU A CB 1 ATOM 2232 C CG . GLU A 1 294 ? -6.947 69.717 -10.722 1.00 12.15 ? 294 GLU A CG 1 ATOM 2233 C CD . GLU A 1 294 ? -6.718 70.695 -11.833 1.00 15.62 ? 294 GLU A CD 1 ATOM 2234 O OE1 . GLU A 1 294 ? -7.573 70.845 -12.693 1.00 17.87 ? 294 GLU A OE1 1 ATOM 2235 O OE2 . GLU A 1 294 ? -5.672 71.368 -11.816 1.00 27.44 ? 294 GLU A OE2 1 ATOM 2236 N N . SER A 1 295 ? -10.419 71.111 -7.900 1.00 9.69 ? 295 SER A N 1 ATOM 2237 C CA . SER A 1 295 ? -11.771 71.352 -7.417 1.00 9.88 ? 295 SER A CA 1 ATOM 2238 C C . SER A 1 295 ? -12.085 72.875 -7.415 1.00 10.69 ? 295 SER A C 1 ATOM 2239 O O . SER A 1 295 ? -13.171 73.273 -7.846 1.00 11.42 ? 295 SER A O 1 ATOM 2240 C CB . SER A 1 295 ? -11.938 70.741 -6.026 1.00 9.79 ? 295 SER A CB 1 ATOM 2241 O OG . SER A 1 295 ? -11.869 69.326 -6.121 1.00 9.85 ? 295 SER A OG 1 ATOM 2242 N N . ALA A 1 296 ? -11.140 73.689 -6.937 1.00 10.92 ? 296 ALA A N 1 ATOM 2243 C CA . ALA A 1 296 ? -11.334 75.132 -6.928 1.00 11.63 ? 296 ALA A CA 1 ATOM 2244 C C . ALA A 1 296 ? -11.546 75.663 -8.339 1.00 12.38 ? 296 ALA A C 1 ATOM 2245 O O . ALA A 1 296 ? -12.330 76.588 -8.559 1.00 14.26 ? 296 ALA A O 1 ATOM 2246 C CB . ALA A 1 296 ? -10.146 75.821 -6.272 1.00 12.29 ? 296 ALA A CB 1 ATOM 2247 N N . ALA A 1 297 ? -10.889 75.069 -9.319 1.00 12.25 ? 297 ALA A N 1 ATOM 2248 C CA . ALA A 1 297 ? -11.069 75.495 -10.708 1.00 14.36 ? 297 ALA A CA 1 ATOM 2249 C C . ALA A 1 297 ? -12.480 75.258 -11.240 1.00 14.91 ? 297 ALA A C 1 ATOM 2250 O O . ALA A 1 297 ? -12.858 75.915 -12.215 1.00 18.26 ? 297 ALA A O 1 ATOM 2251 C CB . ALA A 1 297 ? -10.060 74.783 -11.563 1.00 15.08 ? 297 ALA A CB 1 ATOM 2252 N N . ARG A 1 298 ? -13.241 74.357 -10.619 1.00 13.63 ? 298 ARG A N 1 ATOM 2253 C CA . ARG A 1 298 ? -14.643 74.162 -10.983 1.00 14.03 ? 298 ARG A CA 1 ATOM 2254 C C . ARG A 1 298 ? -15.570 74.637 -9.857 1.00 13.45 ? 298 ARG A C 1 ATOM 2255 O O . ARG A 1 298 ? -16.717 74.216 -9.738 1.00 14.82 ? 298 ARG A O 1 ATOM 2256 C CB . ARG A 1 298 ? -14.911 72.726 -11.460 1.00 15.21 ? 298 ARG A CB 1 ATOM 2257 C CG . ARG A 1 298 ? -14.766 71.672 -10.416 1.00 15.95 ? 298 ARG A CG 1 ATOM 2258 C CD . ARG A 1 298 ? -15.064 70.265 -10.976 1.00 17.75 ? 298 ARG A CD 1 ATOM 2259 N NE . ARG A 1 298 ? -14.036 69.795 -11.890 1.00 18.21 ? 298 ARG A NE 1 ATOM 2260 C CZ . ARG A 1 298 ? -14.045 68.633 -12.536 1.00 18.36 ? 298 ARG A CZ 1 ATOM 2261 N NH1 . ARG A 1 298 ? -15.083 67.830 -12.435 1.00 19.87 ? 298 ARG A NH1 1 ATOM 2262 N NH2 . ARG A 1 298 ? -13.027 68.333 -13.324 1.00 20.52 ? 298 ARG A NH2 1 ATOM 2263 N N . ASN A 1 299 ? -15.099 75.600 -9.080 1.00 12.83 ? 299 ASN A N 1 ATOM 2264 C CA . ASN A 1 299 ? -15.926 76.329 -8.082 1.00 13.05 ? 299 ASN A CA 1 ATOM 2265 C C . ASN A 1 299 ? -16.403 75.469 -6.930 1.00 12.48 ? 299 ASN A C 1 ATOM 2266 O O . ASN A 1 299 ? -17.423 75.743 -6.335 1.00 13.87 ? 299 ASN A O 1 ATOM 2267 C CB . ASN A 1 299 ? -17.112 77.036 -8.735 1.00 15.48 ? 299 ASN A CB 1 ATOM 2268 C CG . ASN A 1 299 ? -16.688 77.866 -9.871 1.00 17.31 ? 299 ASN A CG 1 ATOM 2269 O OD1 . ASN A 1 299 ? -16.968 77.557 -11.013 1.00 23.99 ? 299 ASN A OD1 1 ATOM 2270 N ND2 . ASN A 1 299 ? -15.897 78.852 -9.578 1.00 21.97 ? 299 ASN A ND2 1 ATOM 2271 N N . ILE A 1 300 ? -15.576 74.473 -6.591 1.00 11.12 ? 300 ILE A N 1 ATOM 2272 C CA . ILE A 1 300 ? -15.813 73.620 -5.455 1.00 10.59 ? 300 ILE A CA 1 ATOM 2273 C C . ILE A 1 300 ? -14.840 74.049 -4.360 1.00 10.95 ? 300 ILE A C 1 ATOM 2274 O O . ILE A 1 300 ? -13.638 73.767 -4.453 1.00 11.67 ? 300 ILE A O 1 ATOM 2275 C CB . ILE A 1 300 ? -15.630 72.141 -5.824 1.00 10.98 ? 300 ILE A CB 1 ATOM 2276 C CG1 . ILE A 1 300 ? -16.647 71.685 -6.890 1.00 11.12 ? 300 ILE A CG1 1 ATOM 2277 C CG2 . ILE A 1 300 ? -15.799 71.280 -4.582 1.00 11.39 ? 300 ILE A CG2 1 ATOM 2278 C CD1 . ILE A 1 300 ? -16.337 70.315 -7.419 1.00 13.60 ? 300 ILE A CD1 1 ATOM 2279 N N . THR A 1 301 ? -15.361 74.757 -3.347 1.00 10.41 ? 301 THR A N 1 ATOM 2280 C CA . THR A 1 301 ? -14.552 75.365 -2.317 1.00 10.16 ? 301 THR A CA 1 ATOM 2281 C C . THR A 1 301 ? -14.190 74.411 -1.204 1.00 9.18 ? 301 THR A C 1 ATOM 2282 O O . THR A 1 301 ? -15.007 73.636 -0.743 1.00 9.94 ? 301 THR A O 1 ATOM 2283 C CB . THR A 1 301 ? -15.288 76.592 -1.768 1.00 11.48 ? 301 THR A CB 1 ATOM 2284 O OG1 . THR A 1 301 ? -15.543 77.491 -2.853 1.00 15.65 ? 301 THR A OG1 1 ATOM 2285 C CG2 . THR A 1 301 ? -14.547 77.286 -0.659 1.00 14.01 ? 301 THR A CG2 1 ATOM 2286 N N . ARG A 1 302 ? -12.940 74.486 -0.761 1.00 8.96 ? 302 ARG A N 1 ATOM 2287 C CA . ARG A 1 302 ? -12.461 73.718 0.375 1.00 8.73 ? 302 ARG A CA 1 ATOM 2288 C C . ARG A 1 302 ? -13.104 74.245 1.664 1.00 8.75 ? 302 ARG A C 1 ATOM 2289 O O . ARG A 1 302 ? -13.161 75.463 1.890 1.00 9.86 ? 302 ARG A O 1 ATOM 2290 C CB . ARG A 1 302 ? -10.971 73.789 0.492 1.00 9.19 ? 302 ARG A CB 1 ATOM 2291 C CG . ARG A 1 302 ? -10.379 72.809 1.488 1.00 9.83 ? 302 ARG A CG 1 ATOM 2292 C CD . ARG A 1 302 ? -8.902 73.037 1.704 1.00 10.80 ? 302 ARG A CD 1 ATOM 2293 N NE . ARG A 1 302 ? -8.359 72.001 2.605 1.00 11.10 ? 302 ARG A NE 1 ATOM 2294 C CZ . ARG A 1 302 ? -7.078 71.932 2.891 1.00 12.14 ? 302 ARG A CZ 1 ATOM 2295 N NH1 . ARG A 1 302 ? -6.216 72.861 2.458 1.00 13.50 ? 302 ARG A NH1 1 ATOM 2296 N NH2 . ARG A 1 302 ? -6.639 70.933 3.647 1.00 13.89 ? 302 ARG A NH2 1 ATOM 2297 N N . VAL A 1 303 ? -13.530 73.311 2.525 1.00 8.83 ? 303 VAL A N 1 ATOM 2298 C CA . VAL A 1 303 ? -14.099 73.601 3.823 1.00 8.96 ? 303 VAL A CA 1 ATOM 2299 C C . VAL A 1 303 ? -13.291 72.814 4.865 1.00 9.72 ? 303 VAL A C 1 ATOM 2300 O O . VAL A 1 303 ? -12.389 72.058 4.569 1.00 10.68 ? 303 VAL A O 1 ATOM 2301 C CB . VAL A 1 303 ? -15.622 73.292 3.873 1.00 9.35 ? 303 VAL A CB 1 ATOM 2302 C CG1 . VAL A 1 303 ? -16.347 74.089 2.803 1.00 10.02 ? 303 VAL A CG1 1 ATOM 2303 C CG2 . VAL A 1 303 ? -15.892 71.778 3.794 1.00 10.45 ? 303 VAL A CG2 1 ATOM 2304 N N . ALA A 1 304 ? -13.641 73.017 6.127 1.00 11.00 ? 304 ALA A N 1 ATOM 2305 C CA . ALA A 1 304 ? -12.884 72.432 7.208 1.00 12.33 ? 304 ALA A CA 1 ATOM 2306 C C . ALA A 1 304 ? -12.824 70.920 7.090 1.00 11.19 ? 304 ALA A C 1 ATOM 2307 O O . ALA A 1 304 ? -13.789 70.238 6.772 1.00 11.29 ? 304 ALA A O 1 ATOM 2308 C CB . ALA A 1 304 ? -13.502 72.779 8.561 1.00 15.60 ? 304 ALA A CB 1 ATOM 2309 N N . SER A 1 305 ? -11.643 70.377 7.359 1.00 11.79 ? 305 SER A N 1 ATOM 2310 C CA . SER A 1 305 ? -11.445 68.946 7.305 1.00 11.52 ? 305 SER A CA 1 ATOM 2311 C C . SER A 1 305 ? -12.249 68.229 8.387 1.00 11.71 ? 305 SER A C 1 ATOM 2312 O O . SER A 1 305 ? -12.398 68.696 9.504 1.00 14.93 ? 305 SER A O 1 ATOM 2313 C CB . SER A 1 305 ? -9.965 68.640 7.437 1.00 13.44 ? 305 SER A CB 1 ATOM 2314 O OG . SER A 1 305 ? -9.249 69.181 6.318 1.00 14.39 ? 305 SER A OG 1 ATOM 2315 N N . VAL A 1 306 ? -12.719 67.040 8.016 1.00 11.85 ? 306 VAL A N 1 ATOM 2316 C CA . VAL A 1 306 ? -13.454 66.159 8.885 1.00 12.26 ? 306 VAL A CA 1 ATOM 2317 C C . VAL A 1 306 ? -12.660 64.862 9.011 1.00 11.96 ? 306 VAL A C 1 ATOM 2318 O O . VAL A 1 306 ? -12.446 64.172 8.028 1.00 11.05 ? 306 VAL A O 1 ATOM 2319 C CB . VAL A 1 306 ? -14.843 65.883 8.331 1.00 12.59 ? 306 VAL A CB 1 ATOM 2320 C CG1 . VAL A 1 306 ? -15.601 64.903 9.203 1.00 14.73 ? 306 VAL A CG1 1 ATOM 2321 C CG2 . VAL A 1 306 ? -15.654 67.195 8.131 1.00 15.18 ? 306 VAL A CG2 1 ATOM 2322 N N . ALA A 1 307 ? -12.163 64.553 10.205 1.00 14.19 ? 307 ALA A N 1 ATOM 2323 C CA . ALA A 1 307 ? -11.377 63.330 10.447 1.00 13.13 ? 307 ALA A CA 1 ATOM 2324 C C . ALA A 1 307 ? -12.186 62.107 9.940 1.00 12.87 ? 307 ALA A C 1 ATOM 2325 O O . ALA A 1 307 ? -13.382 62.037 10.140 1.00 15.03 ? 307 ALA A O 1 ATOM 2326 C CB . ALA A 1 307 ? -11.136 63.166 11.930 1.00 19.07 ? 307 ALA A CB 1 ATOM 2327 N N . PRO A 1 308 ? -11.539 61.156 9.242 1.00 12.09 ? 308 PRO A N 1 ATOM 2328 C CA . PRO A 1 308 ? -10.096 61.035 9.060 1.00 11.89 ? 308 PRO A CA 1 ATOM 2329 C C . PRO A 1 308 ? -9.445 61.736 7.859 1.00 10.16 ? 308 PRO A C 1 ATOM 2330 O O . PRO A 1 308 ? -8.295 61.493 7.538 1.00 11.90 ? 308 PRO A O 1 ATOM 2331 C CB . PRO A 1 308 ? -9.924 59.508 8.893 1.00 12.31 ? 308 PRO A CB 1 ATOM 2332 C CG . PRO A 1 308 ? -11.164 59.129 8.155 1.00 13.18 ? 308 PRO A CG 1 ATOM 2333 C CD . PRO A 1 308 ? -12.246 59.970 8.748 1.00 13.00 ? 308 PRO A CD 1 ATOM 2334 N N . PHE A 1 309 ? -10.220 62.581 7.196 1.00 10.70 ? 309 PHE A N 1 ATOM 2335 C CA . PHE A 1 309 ? -9.856 63.183 5.923 1.00 10.13 ? 309 PHE A CA 1 ATOM 2336 C C . PHE A 1 309 ? -9.178 64.539 6.116 1.00 10.28 ? 309 PHE A C 1 ATOM 2337 O O . PHE A 1 309 ? -9.330 65.171 7.160 1.00 13.92 ? 309 PHE A O 1 ATOM 2338 C CB . PHE A 1 309 ? -11.092 63.318 5.037 1.00 9.51 ? 309 PHE A CB 1 ATOM 2339 C CG . PHE A 1 309 ? -11.861 62.048 4.950 1.00 10.08 ? 309 PHE A CG 1 ATOM 2340 C CD1 . PHE A 1 309 ? -11.276 60.893 4.426 1.00 11.50 ? 309 PHE A CD1 1 ATOM 2341 C CD2 . PHE A 1 309 ? -13.143 61.957 5.451 1.00 11.58 ? 309 PHE A CD2 1 ATOM 2342 C CE1 . PHE A 1 309 ? -11.967 59.679 4.398 1.00 13.05 ? 309 PHE A CE1 1 ATOM 2343 C CE2 . PHE A 1 309 ? -13.850 60.773 5.387 1.00 13.55 ? 309 PHE A CE2 1 ATOM 2344 C CZ . PHE A 1 309 ? -13.241 59.649 4.864 1.00 13.49 ? 309 PHE A CZ 1 ATOM 2345 N N . GLY A 1 310 ? -8.443 64.977 5.137 1.00 11.22 ? 310 GLY A N 1 ATOM 2346 C CA . GLY A 1 310 ? -7.776 66.241 5.181 1.00 12.32 ? 310 GLY A CA 1 ATOM 2347 C C . GLY A 1 310 ? -8.100 67.174 4.009 1.00 11.66 ? 310 GLY A C 1 ATOM 2348 O O . GLY A 1 310 ? -7.456 68.204 3.839 1.00 14.75 ? 310 GLY A O 1 ATOM 2349 N N . ALA A 1 311 ? -9.030 66.810 3.160 1.00 10.66 ? 311 ALA A N 1 ATOM 2350 C CA . ALA A 1 311 ? -9.450 67.600 2.016 1.00 10.44 ? 311 ALA A CA 1 ATOM 2351 C C . ALA A 1 311 ? -10.937 67.412 1.868 1.00 9.74 ? 311 ALA A C 1 ATOM 2352 O O . ALA A 1 311 ? -11.376 66.378 1.373 1.00 10.57 ? 311 ALA A O 1 ATOM 2353 C CB . ALA A 1 311 ? -8.687 67.223 0.738 1.00 11.76 ? 311 ALA A CB 1 ATOM 2354 N N . CYS A 1 312 ? -11.699 68.394 2.315 1.00 9.17 ? 312 CYS A N 1 ATOM 2355 C CA . CYS A 1 312 ? -13.121 68.364 2.332 1.00 8.73 ? 312 CYS A CA 1 ATOM 2356 C C . CYS A 1 312 ? -13.673 69.617 1.651 1.00 8.42 ? 312 CYS A C 1 ATOM 2357 O O . CYS A 1 312 ? -13.008 70.636 1.641 1.00 8.67 ? 312 CYS A O 1 ATOM 2358 C CB . CYS A 1 312 ? -13.677 68.229 3.745 1.00 10.06 ? 312 CYS A CB 1 ATOM 2359 S SG . CYS A 1 312 ? -13.048 66.732 4.573 1.00 12.96 ? 312 CYS A SG 1 ATOM 2360 N N . PHE A 1 313 ? -14.897 69.505 1.158 1.00 8.32 ? 313 PHE A N 1 ATOM 2361 C CA . PHE A 1 313 ? -15.428 70.471 0.203 1.00 8.45 ? 313 PHE A CA 1 ATOM 2362 C C . PHE A 1 313 ? -16.898 70.735 0.407 1.00 9.19 ? 313 PHE A C 1 ATOM 2363 O O . PHE A 1 313 ? -17.668 69.875 0.812 1.00 9.67 ? 313 PHE A O 1 ATOM 2364 C CB . PHE A 1 313 ? -15.251 69.973 -1.239 1.00 9.13 ? 313 PHE A CB 1 ATOM 2365 C CG . PHE A 1 313 ? -13.815 69.671 -1.552 1.00 8.66 ? 313 PHE A CG 1 ATOM 2366 C CD1 . PHE A 1 313 ? -12.952 70.683 -1.954 1.00 8.65 ? 313 PHE A CD1 1 ATOM 2367 C CD2 . PHE A 1 313 ? -13.295 68.385 -1.362 1.00 9.21 ? 313 PHE A CD2 1 ATOM 2368 C CE1 . PHE A 1 313 ? -11.604 70.428 -2.150 1.00 9.47 ? 313 PHE A CE1 1 ATOM 2369 C CE2 . PHE A 1 313 ? -11.956 68.128 -1.562 1.00 9.49 ? 313 PHE A CE2 1 ATOM 2370 C CZ . PHE A 1 313 ? -11.114 69.153 -1.963 1.00 9.63 ? 313 PHE A CZ 1 ATOM 2371 N N . SER A 1 314 ? -17.311 71.965 0.049 1.00 9.61 ? 314 SER A N 1 ATOM 2372 C CA . SER A 1 314 ? -18.713 72.300 -0.062 1.00 9.85 ? 314 SER A CA 1 ATOM 2373 C C . SER A 1 314 ? -19.356 71.561 -1.218 1.00 10.10 ? 314 SER A C 1 ATOM 2374 O O . SER A 1 314 ? -18.756 71.407 -2.278 1.00 10.57 ? 314 SER A O 1 ATOM 2375 C CB . SER A 1 314 ? -18.832 73.801 -0.321 1.00 12.11 ? 314 SER A CB 1 ATOM 2376 O OG . SER A 1 314 ? -20.192 74.155 -0.581 1.00 14.34 ? 314 SER A OG 1 ATOM 2377 N N . THR A 1 315 ? -20.617 71.187 -1.050 1.00 10.95 ? 315 THR A N 1 ATOM 2378 C CA . THR A 1 315 ? -21.384 70.609 -2.129 1.00 11.36 ? 315 THR A CA 1 ATOM 2379 C C . THR A 1 315 ? -22.162 71.635 -2.968 1.00 11.96 ? 315 THR A C 1 ATOM 2380 O O . THR A 1 315 ? -22.861 71.230 -3.887 1.00 13.69 ? 315 THR A O 1 ATOM 2381 C CB . THR A 1 315 ? -22.361 69.566 -1.575 1.00 12.06 ? 315 THR A CB 1 ATOM 2382 O OG1 . THR A 1 315 ? -23.224 70.243 -0.651 1.00 13.06 ? 315 THR A OG1 1 ATOM 2383 C CG2 . THR A 1 315 ? -21.640 68.378 -0.863 1.00 12.98 ? 315 THR A CG2 1 ATOM 2384 N N . ASP A 1 316 ? -22.027 72.926 -2.656 1.00 12.75 ? 316 ASP A N 1 ATOM 2385 C CA . ASP A 1 316 ? -22.867 73.968 -3.282 1.00 13.57 ? 316 ASP A CA 1 ATOM 2386 C C . ASP A 1 316 ? -22.921 73.817 -4.806 1.00 13.30 ? 316 ASP A C 1 ATOM 2387 O O . ASP A 1 316 ? -23.995 74.004 -5.408 1.00 16.80 ? 316 ASP A O 1 ATOM 2388 C CB . ASP A 1 316 ? -22.319 75.374 -2.986 1.00 14.12 ? 316 ASP A CB 1 ATOM 2389 C CG . ASP A 1 316 ? -22.544 75.842 -1.541 1.00 14.62 ? 316 ASP A CG 1 ATOM 2390 O OD1 . ASP A 1 316 ? -23.264 75.156 -0.749 1.00 18.46 ? 316 ASP A OD1 1 ATOM 2391 O OD2 . ASP A 1 316 ? -22.047 76.964 -1.218 1.00 18.01 ? 316 ASP A OD2 1 ATOM 2392 N N . ASN A 1 317 ? -21.756 73.588 -5.412 1.00 12.60 ? 317 ASN A N 1 ATOM 2393 C CA . ASN A 1 317 ? -21.608 73.593 -6.856 1.00 13.49 ? 317 ASN A CA 1 ATOM 2394 C C . ASN A 1 317 ? -21.286 72.242 -7.431 1.00 14.76 ? 317 ASN A C 1 ATOM 2395 O O . ASN A 1 317 ? -20.887 72.147 -8.563 1.00 17.90 ? 317 ASN A O 1 ATOM 2396 C CB . ASN A 1 317 ? -20.576 74.628 -7.308 1.00 14.38 ? 317 ASN A CB 1 ATOM 2397 C CG . ASN A 1 317 ? -20.979 76.025 -6.930 1.00 15.02 ? 317 ASN A CG 1 ATOM 2398 O OD1 . ASN A 1 317 ? -22.163 76.378 -7.020 1.00 20.10 ? 317 ASN A OD1 1 ATOM 2399 N ND2 . ASN A 1 317 ? -20.040 76.798 -6.469 1.00 17.02 ? 317 ASN A ND2 1 ATOM 2400 N N . ILE A 1 318 ? -21.505 71.176 -6.673 1.00 12.72 ? 318 ILE A N 1 ATOM 2401 C CA . ILE A 1 318 ? -21.241 69.848 -7.150 1.00 13.00 ? 318 ILE A CA 1 ATOM 2402 C C . ILE A 1 318 ? -22.501 69.330 -7.811 1.00 14.87 ? 318 ILE A C 1 ATOM 2403 O O . ILE A 1 318 ? -23.576 69.361 -7.261 1.00 18.70 ? 318 ILE A O 1 ATOM 2404 C CB . ILE A 1 318 ? -20.792 68.937 -6.002 1.00 12.02 ? 318 ILE A CB 1 ATOM 2405 C CG1 . ILE A 1 318 ? -19.466 69.442 -5.437 1.00 13.03 ? 318 ILE A CG1 1 ATOM 2406 C CG2 . ILE A 1 318 ? -20.628 67.507 -6.494 1.00 15.03 ? 318 ILE A CG2 1 ATOM 2407 C CD1 . ILE A 1 318 ? -18.855 68.607 -4.344 1.00 14.13 ? 318 ILE A CD1 1 ATOM 2408 N N . LEU A 1 319 ? -22.356 68.861 -9.025 1.00 16.54 ? 319 LEU A N 1 ATOM 2409 C CA . LEU A 1 319 ? -23.425 68.209 -9.763 1.00 17.42 ? 319 LEU A CA 1 ATOM 2410 C C . LEU A 1 319 ? -23.404 66.694 -9.507 1.00 17.73 ? 319 LEU A C 1 ATOM 2411 O O . LEU A 1 319 ? -22.333 66.091 -9.375 1.00 17.31 ? 319 LEU A O 1 ATOM 2412 C CB . LEU A 1 319 ? -23.306 68.500 -11.278 1.00 23.62 ? 319 LEU A CB 1 ATOM 2413 C CG . LEU A 1 319 ? -23.459 69.976 -11.682 1.00 30.05 ? 319 LEU A CG 1 ATOM 2414 C CD1 . LEU A 1 319 ? -23.435 70.159 -13.195 1.00 34.76 ? 319 LEU A CD1 1 ATOM 2415 C CD2 . LEU A 1 319 ? -24.753 70.545 -11.113 1.00 33.82 ? 319 LEU A CD2 1 ATOM 2416 N N . SER A 1 320 ? -24.583 66.081 -9.477 1.00 21.21 ? 320 SER A N 1 ATOM 2417 C CA . SER A 1 320 ? -24.687 64.642 -9.340 1.00 19.79 ? 320 SER A CA 1 ATOM 2418 C C . SER A 1 320 ? -24.628 64.075 -10.769 1.00 19.85 ? 320 SER A C 1 ATOM 2419 O O . SER A 1 320 ? -25.188 64.641 -11.700 1.00 25.15 ? 320 SER A O 1 ATOM 2420 C CB . SER A 1 320 ? -25.976 64.231 -8.599 1.00 25.74 ? 320 SER A CB 1 ATOM 2421 O OG . SER A 1 320 ? -25.782 64.454 -7.192 1.00 34.72 ? 320 SER A OG 1 ATOM 2422 N N . THR A 1 321 ? -23.876 63.000 -10.944 1.00 16.07 ? 321 THR A N 1 ATOM 2423 C CA . THR A 1 321 ? -23.766 62.316 -12.213 1.00 15.83 ? 321 THR A CA 1 ATOM 2424 C C . THR A 1 321 ? -23.966 60.803 -11.986 1.00 14.58 ? 321 THR A C 1 ATOM 2425 O O . THR A 1 321 ? -23.904 60.315 -10.855 1.00 14.96 ? 321 THR A O 1 ATOM 2426 C CB . THR A 1 321 ? -22.393 62.538 -12.875 1.00 15.68 ? 321 THR A CB 1 ATOM 2427 O OG1 . THR A 1 321 ? -21.433 61.613 -12.318 1.00 14.76 ? 321 THR A OG1 1 ATOM 2428 C CG2 . THR A 1 321 ? -21.935 63.968 -12.765 1.00 20.66 ? 321 THR A CG2 1 ATOM 2429 N N . ARG A 1 322 ? -24.106 60.060 -13.074 1.00 15.75 ? 322 ARG A N 1 ATOM 2430 C CA . ARG A 1 322 ? -24.223 58.621 -12.996 1.00 15.50 ? 322 ARG A CA 1 ATOM 2431 C C . ARG A 1 322 ? -23.026 57.995 -12.242 1.00 14.55 ? 322 ARG A C 1 ATOM 2432 O O . ARG A 1 322 ? -23.142 56.919 -11.622 1.00 14.94 ? 322 ARG A O 1 ATOM 2433 C CB . ARG A 1 322 ? -24.315 58.047 -14.418 1.00 20.13 ? 322 ARG A CB 1 ATOM 2434 C CG . ARG A 1 322 ? -24.419 56.548 -14.481 1.00 21.40 ? 322 ARG A CG 1 ATOM 2435 C CD . ARG A 1 322 ? -24.515 55.993 -15.891 1.00 25.21 ? 322 ARG A CD 1 ATOM 2436 N NE . ARG A 1 322 ? -25.715 56.458 -16.576 1.00 33.41 ? 322 ARG A NE 1 ATOM 2437 C CZ . ARG A 1 322 ? -26.062 56.105 -17.817 1.00 44.29 ? 322 ARG A CZ 1 ATOM 2438 N NH1 . ARG A 1 322 ? -25.299 55.270 -18.534 1.00 50.86 ? 322 ARG A NH1 1 ATOM 2439 N NH2 . ARG A 1 322 ? -27.182 56.587 -18.346 1.00 49.23 ? 322 ARG A NH2 1 ATOM 2440 N N . LEU A 1 323 ? -21.863 58.633 -12.389 1.00 12.99 ? 323 LEU A N 1 ATOM 2441 C CA . LEU A 1 323 ? -20.587 58.131 -11.826 1.00 12.50 ? 323 LEU A CA 1 ATOM 2442 C C . LEU A 1 323 ? -20.227 58.791 -10.519 1.00 11.40 ? 323 LEU A C 1 ATOM 2443 O O . LEU A 1 323 ? -19.093 58.636 -10.057 1.00 12.00 ? 323 LEU A O 1 ATOM 2444 C CB . LEU A 1 323 ? -19.471 58.300 -12.870 1.00 13.77 ? 323 LEU A CB 1 ATOM 2445 C CG . LEU A 1 323 ? -19.735 57.708 -14.253 1.00 13.80 ? 323 LEU A CG 1 ATOM 2446 C CD1 . LEU A 1 323 ? -18.506 57.970 -15.132 1.00 17.72 ? 323 LEU A CD1 1 ATOM 2447 C CD2 . LEU A 1 323 ? -20.099 56.264 -14.123 1.00 17.50 ? 323 LEU A CD2 1 ATOM 2448 N N . GLY A 1 324 ? -21.202 59.448 -9.905 1.00 11.78 ? 324 GLY A N 1 ATOM 2449 C CA . GLY A 1 324 ? -21.011 60.084 -8.638 1.00 10.90 ? 324 GLY A CA 1 ATOM 2450 C C . GLY A 1 324 ? -20.882 61.594 -8.743 1.00 11.08 ? 324 GLY A C 1 ATOM 2451 O O . GLY A 1 324 ? -21.095 62.183 -9.796 1.00 12.45 ? 324 GLY A O 1 ATOM 2452 N N . PRO A 1 325 ? -20.532 62.249 -7.629 1.00 10.39 ? 325 PRO A N 1 ATOM 2453 C CA . PRO A 1 325 ? -20.384 63.691 -7.672 1.00 10.52 ? 325 PRO A CA 1 ATOM 2454 C C . PRO A 1 325 ? -19.372 64.076 -8.728 1.00 10.21 ? 325 PRO A C 1 ATOM 2455 O O . PRO A 1 325 ? -18.349 63.423 -8.924 1.00 10.72 ? 325 PRO A O 1 ATOM 2456 C CB . PRO A 1 325 ? -19.901 64.024 -6.265 1.00 10.77 ? 325 PRO A CB 1 ATOM 2457 C CG . PRO A 1 325 ? -19.386 62.749 -5.711 1.00 11.12 ? 325 PRO A CG 1 ATOM 2458 C CD . PRO A 1 325 ? -20.251 61.680 -6.301 1.00 10.72 ? 325 PRO A CD 1 ATOM 2459 N N . SER A 1 326 ? -19.632 65.195 -9.401 1.00 11.53 ? 326 SER A N 1 ATOM 2460 C CA . SER A 1 326 ? -18.796 65.695 -10.469 0.50 10.00 ? 326 SER A CA 1 ATOM 2461 C C . SER A 1 326 ? -17.568 66.448 -9.973 1.00 11.86 ? 326 SER A C 1 ATOM 2462 O O . SER A 1 326 ? -17.432 67.639 -10.112 1.00 19.28 ? 326 SER A O 1 ATOM 2463 C CB . SER A 1 326 ? -19.581 66.594 -11.423 1.00 15.36 ? 326 SER A CB 1 ATOM 2464 O OG . SER A 1 326 ? -18.767 66.770 -12.604 1.00 22.12 ? 326 SER A OG 1 ATOM 2465 N N . VAL A 1 327 ? -16.621 65.716 -9.482 1.00 12.62 ? 327 VAL A N 1 ATOM 2466 C CA . VAL A 1 327 ? -15.362 66.193 -8.957 1.00 10.38 ? 327 VAL A CA 1 ATOM 2467 C C . VAL A 1 327 ? -14.269 65.813 -9.942 1.00 9.85 ? 327 VAL A C 1 ATOM 2468 O O . VAL A 1 327 ? -14.473 64.958 -10.820 1.00 11.07 ? 327 VAL A O 1 ATOM 2469 C CB . VAL A 1 327 ? -15.098 65.637 -7.558 1.00 9.87 ? 327 VAL A CB 1 ATOM 2470 C CG1 . VAL A 1 327 ? -16.176 66.103 -6.579 1.00 12.95 ? 327 VAL A CG1 1 ATOM 2471 C CG2 . VAL A 1 327 ? -14.998 64.092 -7.569 1.00 9.61 ? 327 VAL A CG2 1 ATOM 2472 N N . PRO A 1 328 ? -13.082 66.363 -9.786 1.00 9.52 ? 328 PRO A N 1 ATOM 2473 C CA . PRO A 1 328 ? -11.977 65.973 -10.673 1.00 10.20 ? 328 PRO A CA 1 ATOM 2474 C C . PRO A 1 328 ? -11.746 64.453 -10.667 1.00 9.23 ? 328 PRO A C 1 ATOM 2475 O O . PRO A 1 328 ? -11.766 63.816 -9.614 1.00 9.46 ? 328 PRO A O 1 ATOM 2476 C CB . PRO A 1 328 ? -10.767 66.740 -10.079 1.00 10.29 ? 328 PRO A CB 1 ATOM 2477 C CG . PRO A 1 328 ? -11.415 67.985 -9.505 1.00 10.91 ? 328 PRO A CG 1 ATOM 2478 C CD . PRO A 1 328 ? -12.688 67.449 -8.870 1.00 10.14 ? 328 PRO A CD 1 ATOM 2479 N N . SER A 1 329 ? -11.435 63.893 -11.823 1.00 10.20 ? 329 SER A N 1 ATOM 2480 C CA . SER A 1 329 ? -11.073 62.482 -11.943 1.00 10.36 ? 329 SER A CA 1 ATOM 2481 C C . SER A 1 329 ? -9.704 62.262 -11.334 1.00 9.45 ? 329 SER A C 1 ATOM 2482 O O . SER A 1 329 ? -8.843 63.164 -11.303 1.00 10.99 ? 329 SER A O 1 ATOM 2483 C CB . SER A 1 329 ? -10.991 62.129 -13.413 1.00 13.12 ? 329 SER A CB 1 ATOM 2484 O OG . SER A 1 329 ? -9.910 62.851 -14.080 1.00 15.89 ? 329 SER A OG 1 ATOM 2485 N N . ILE A 1 330 ? -9.487 61.050 -10.857 1.00 8.99 ? 330 ILE A N 1 ATOM 2486 C CA . ILE A 1 330 ? -8.168 60.617 -10.429 1.00 8.50 ? 330 ILE A CA 1 ATOM 2487 C C . ILE A 1 330 ? -7.843 59.340 -11.208 1.00 9.22 ? 330 ILE A C 1 ATOM 2488 O O . ILE A 1 330 ? -8.614 58.398 -11.213 1.00 11.19 ? 330 ILE A O 1 ATOM 2489 C CB . ILE A 1 330 ? -8.085 60.327 -8.918 1.00 9.19 ? 330 ILE A CB 1 ATOM 2490 C CG1 . ILE A 1 330 ? -8.557 61.552 -8.098 1.00 10.15 ? 330 ILE A CG1 1 ATOM 2491 C CG2 . ILE A 1 330 ? -6.692 59.861 -8.509 1.00 10.65 ? 330 ILE A CG2 1 ATOM 2492 C CD1 . ILE A 1 330 ? -8.741 61.234 -6.627 1.00 12.44 ? 330 ILE A CD1 1 ATOM 2493 N N . ASP A 1 331 ? -6.702 59.346 -11.889 1.00 8.10 ? 331 ASP A N 1 ATOM 2494 C CA . ASP A 1 331 ? -6.230 58.170 -12.617 1.00 7.84 ? 331 ASP A CA 1 ATOM 2495 C C . ASP A 1 331 ? -4.940 57.662 -11.996 1.00 7.39 ? 331 ASP A C 1 ATOM 2496 O O . ASP A 1 331 ? -3.991 58.417 -11.849 1.00 8.61 ? 331 ASP A O 1 ATOM 2497 C CB . ASP A 1 331 ? -5.930 58.488 -14.106 1.00 10.20 ? 331 ASP A CB 1 ATOM 2498 C CG . ASP A 1 331 ? -7.149 58.884 -14.869 1.00 13.84 ? 331 ASP A CG 1 ATOM 2499 O OD1 . ASP A 1 331 ? -8.147 58.151 -14.778 1.00 15.09 ? 331 ASP A OD1 1 ATOM 2500 O OD2 . ASP A 1 331 ? -7.068 59.902 -15.606 1.00 18.46 ? 331 ASP A OD2 1 ATOM 2501 N N . LEU A 1 332 ? -4.928 56.374 -11.652 1.00 7.19 ? 332 LEU A N 1 ATOM 2502 C CA . LEU A 1 332 ? -3.709 55.688 -11.241 1.00 7.15 ? 332 LEU A CA 1 ATOM 2503 C C . LEU A 1 332 ? -3.180 55.052 -12.523 1.00 8.03 ? 332 LEU A C 1 ATOM 2504 O O . LEU A 1 332 ? -3.796 54.116 -13.058 1.00 8.89 ? 332 LEU A O 1 ATOM 2505 C CB . LEU A 1 332 ? -3.976 54.671 -10.170 1.00 7.81 ? 332 LEU A CB 1 ATOM 2506 C CG . LEU A 1 332 ? -4.835 55.100 -8.989 1.00 8.10 ? 332 LEU A CG 1 ATOM 2507 C CD1 . LEU A 1 332 ? -5.038 53.948 -8.018 1.00 9.89 ? 332 LEU A CD1 1 ATOM 2508 C CD2 . LEU A 1 332 ? -4.253 56.295 -8.274 1.00 9.52 ? 332 LEU A CD2 1 ATOM 2509 N N . VAL A 1 333 ? -2.079 55.572 -13.041 1.00 7.81 ? 333 VAL A N 1 ATOM 2510 C CA . VAL A 1 333 ? -1.473 55.110 -14.276 1.00 7.90 ? 333 VAL A CA 1 ATOM 2511 C C . VAL A 1 333 ? -0.572 53.940 -13.968 1.00 7.48 ? 333 VAL A C 1 ATOM 2512 O O . VAL A 1 333 ? 0.267 54.009 -13.088 1.00 8.15 ? 333 VAL A O 1 ATOM 2513 C CB . VAL A 1 333 ? -0.713 56.242 -14.983 1.00 9.31 ? 333 VAL A CB 1 ATOM 2514 C CG1 . VAL A 1 333 ? -0.211 55.744 -16.321 1.00 11.38 ? 333 VAL A CG1 1 ATOM 2515 C CG2 . VAL A 1 333 ? -1.565 57.486 -15.124 1.00 11.47 ? 333 VAL A CG2 1 ATOM 2516 N N . LEU A 1 334 ? -0.821 52.831 -14.711 1.00 7.72 ? 334 LEU A N 1 ATOM 2517 C CA . LEU A 1 334 ? -0.166 51.555 -14.422 1.00 7.53 ? 334 LEU A CA 1 ATOM 2518 C C . LEU A 1 334 ? 0.968 51.326 -15.420 1.00 8.00 ? 334 LEU A C 1 ATOM 2519 O O . LEU A 1 334 ? 1.850 52.194 -15.552 1.00 10.18 ? 334 LEU A O 1 ATOM 2520 C CB . LEU A 1 334 ? -1.228 50.443 -14.364 1.00 7.06 ? 334 LEU A CB 1 ATOM 2521 C CG . LEU A 1 334 ? -2.367 50.740 -13.399 1.00 8.00 ? 334 LEU A CG 1 ATOM 2522 C CD1 . LEU A 1 334 ? -3.414 49.678 -13.424 1.00 8.76 ? 334 LEU A CD1 1 ATOM 2523 C CD2 . LEU A 1 334 ? -1.999 51.244 -12.043 1.00 9.61 ? 334 LEU A CD2 1 ATOM 2524 N N . GLN A 1 335 ? 0.994 50.200 -16.121 1.00 9.17 ? 335 GLN A N 1 ATOM 2525 C CA . GLN A 1 335 ? 2.220 49.779 -16.837 1.00 10.31 ? 335 GLN A CA 1 ATOM 2526 C C . GLN A 1 335 ? 2.500 50.565 -18.075 1.00 12.41 ? 335 GLN A C 1 ATOM 2527 O O . GLN A 1 335 ? 3.600 50.505 -18.607 1.00 16.80 ? 335 GLN A O 1 ATOM 2528 C CB . GLN A 1 335 ? 2.189 48.273 -17.139 1.00 10.87 ? 335 GLN A CB 1 ATOM 2529 C CG . GLN A 1 335 ? 1.081 47.806 -18.125 1.00 11.45 ? 335 GLN A CG 1 ATOM 2530 C CD . GLN A 1 335 ? -0.179 47.334 -17.441 1.00 8.98 ? 335 GLN A CD 1 ATOM 2531 O OE1 . GLN A 1 335 ? -0.503 47.781 -16.335 1.00 8.36 ? 335 GLN A OE1 1 ATOM 2532 N NE2 . GLN A 1 335 ? -0.950 46.484 -18.105 1.00 10.08 ? 335 GLN A NE2 1 ATOM 2533 N N . SER A 1 336 ? 1.495 51.243 -18.582 1.00 12.54 ? 336 SER A N 1 ATOM 2534 C CA . SER A 1 336 ? 1.711 52.172 -19.672 1.00 15.28 ? 336 SER A CA 1 ATOM 2535 C C . SER A 1 336 ? 0.726 53.322 -19.472 1.00 16.80 ? 336 SER A C 1 ATOM 2536 O O . SER A 1 336 ? -0.210 53.238 -18.671 1.00 16.98 ? 336 SER A O 1 ATOM 2537 C CB . SER A 1 336 ? 1.515 51.502 -21.013 1.00 18.23 ? 336 SER A CB 1 ATOM 2538 O OG . SER A 1 336 ? 0.144 51.331 -21.263 1.00 21.27 ? 336 SER A OG 1 ATOM 2539 N N . GLU A 1 337 ? 0.921 54.370 -20.243 1.00 20.47 ? 337 GLU A N 1 ATOM 2540 C CA . GLU A 1 337 ? 0.064 55.515 -20.137 1.00 23.17 ? 337 GLU A CA 1 ATOM 2541 C C . GLU A 1 337 ? -1.383 55.211 -20.505 1.00 24.37 ? 337 GLU A C 1 ATOM 2542 O O . GLU A 1 337 ? -2.301 55.879 -20.030 1.00 28.97 ? 337 GLU A O 1 ATOM 2543 C CB . GLU A 1 337 ? 0.661 56.665 -20.968 1.00 26.21 ? 337 GLU A CB 1 ATOM 2544 C CG . GLU A 1 337 ? 1.545 57.517 -20.082 1.00 34.93 ? 337 GLU A CG 1 ATOM 2545 C CD . GLU A 1 337 ? 0.751 58.643 -19.403 1.00 47.22 ? 337 GLU A CD 1 ATOM 2546 O OE1 . GLU A 1 337 ? 0.292 59.597 -20.103 1.00 50.96 ? 337 GLU A OE1 1 ATOM 2547 O OE2 . GLU A 1 337 ? 0.601 58.586 -18.158 1.00 52.65 ? 337 GLU A OE2 1 ATOM 2548 N N . SER A 1 338 ? -1.592 54.148 -21.274 1.00 22.33 ? 338 SER A N 1 ATOM 2549 C CA . SER A 1 338 ? -2.952 53.724 -21.658 1.00 23.98 ? 338 SER A CA 1 ATOM 2550 C C . SER A 1 338 ? -3.670 52.708 -20.767 1.00 21.70 ? 338 SER A C 1 ATOM 2551 O O . SER A 1 338 ? -4.761 52.224 -21.101 1.00 24.63 ? 338 SER A O 1 ATOM 2552 C CB . SER A 1 338 ? -2.927 53.187 -23.079 1.00 26.04 ? 338 SER A CB 1 ATOM 2553 O OG . SER A 1 338 ? -2.247 51.968 -23.094 1.00 31.30 ? 338 SER A OG 1 ATOM 2554 N N . VAL A 1 339 ? -3.023 52.342 -19.680 1.00 14.96 ? 339 VAL A N 1 ATOM 2555 C CA . VAL A 1 339 ? -3.636 51.398 -18.727 1.00 13.16 ? 339 VAL A CA 1 ATOM 2556 C C . VAL A 1 339 ? -3.783 52.141 -17.404 1.00 10.92 ? 339 VAL A C 1 ATOM 2557 O O . VAL A 1 339 ? -2.772 52.405 -16.772 1.00 10.78 ? 339 VAL A O 1 ATOM 2558 C CB . VAL A 1 339 ? -2.830 50.085 -18.551 1.00 12.69 ? 339 VAL A CB 1 ATOM 2559 C CG1 . VAL A 1 339 ? -3.556 49.161 -17.586 1.00 12.21 ? 339 VAL A CG1 1 ATOM 2560 C CG2 . VAL A 1 339 ? -2.601 49.399 -19.905 1.00 15.69 ? 339 VAL A CG2 1 ATOM 2561 N N . VAL A 1 340 ? -5.021 52.459 -17.039 1.00 9.86 ? 340 VAL A N 1 ATOM 2562 C CA . VAL A 1 340 ? -5.284 53.270 -15.878 1.00 9.26 ? 340 VAL A CA 1 ATOM 2563 C C . VAL A 1 340 ? -6.408 52.691 -15.042 1.00 8.41 ? 340 VAL A C 1 ATOM 2564 O O . VAL A 1 340 ? -7.337 52.137 -15.567 1.00 10.87 ? 340 VAL A O 1 ATOM 2565 C CB . VAL A 1 340 ? -5.554 54.745 -16.164 1.00 13.21 ? 340 VAL A CB 1 ATOM 2566 C CG1 . VAL A 1 340 ? -4.468 55.367 -17.000 1.00 14.93 ? 340 VAL A CG1 1 ATOM 2567 C CG2 . VAL A 1 340 ? -6.881 54.946 -16.809 1.00 17.22 ? 340 VAL A CG2 1 ATOM 2568 N N . TRP A 1 341 ? -6.287 52.851 -13.742 1.00 8.29 ? 341 TRP A N 1 ATOM 2569 C CA . TRP A 1 341 ? -7.372 52.638 -12.752 1.00 7.54 ? 341 TRP A CA 1 ATOM 2570 C C . TRP A 1 341 ? -7.984 54.018 -12.526 1.00 7.23 ? 341 TRP A C 1 ATOM 2571 O O . TRP A 1 341 ? -7.332 54.902 -11.995 1.00 7.87 ? 341 TRP A O 1 ATOM 2572 C CB . TRP A 1 341 ? -6.822 52.047 -11.476 1.00 8.18 ? 341 TRP A CB 1 ATOM 2573 C CG . TRP A 1 341 ? -7.777 51.891 -10.360 1.00 7.84 ? 341 TRP A CG 1 ATOM 2574 C CD1 . TRP A 1 341 ? -8.463 52.869 -9.668 1.00 8.92 ? 341 TRP A CD1 1 ATOM 2575 C CD2 . TRP A 1 341 ? -8.145 50.642 -9.751 1.00 8.47 ? 341 TRP A CD2 1 ATOM 2576 N NE1 . TRP A 1 341 ? -9.230 52.313 -8.660 1.00 9.00 ? 341 TRP A NE1 1 ATOM 2577 C CE2 . TRP A 1 341 ? -9.087 50.955 -8.707 1.00 8.90 ? 341 TRP A CE2 1 ATOM 2578 C CE3 . TRP A 1 341 ? -7.800 49.331 -9.947 1.00 9.95 ? 341 TRP A CE3 1 ATOM 2579 C CZ2 . TRP A 1 341 ? -9.618 49.988 -7.867 1.00 11.78 ? 341 TRP A CZ2 1 ATOM 2580 C CZ3 . TRP A 1 341 ? -8.338 48.371 -9.089 1.00 13.45 ? 341 TRP A CZ3 1 ATOM 2581 C CH2 . TRP A 1 341 ? -9.227 48.697 -8.107 1.00 18.23 ? 341 TRP A CH2 1 ATOM 2582 N N . THR A 1 342 ? -9.220 54.218 -12.984 1.00 8.00 ? 342 THR A N 1 ATOM 2583 C CA A THR A 1 342 ? -9.852 55.504 -12.892 0.50 8.05 ? 342 THR A CA 1 ATOM 2584 C CA B THR A 1 342 ? -9.839 55.526 -12.869 0.50 8.26 ? 342 THR A CA 1 ATOM 2585 C C . THR A 1 342 ? -10.794 55.572 -11.709 1.00 7.47 ? 342 THR A C 1 ATOM 2586 O O . THR A 1 342 ? -11.629 54.654 -11.519 1.00 9.03 ? 342 THR A O 1 ATOM 2587 C CB A THR A 1 342 ? -10.620 55.841 -14.151 0.50 9.95 ? 342 THR A CB 1 ATOM 2588 C CB B THR A 1 342 ? -10.556 56.033 -14.128 0.50 11.64 ? 342 THR A CB 1 ATOM 2589 O OG1 A THR A 1 342 ? -9.850 55.570 -15.311 0.50 15.06 ? 342 THR A OG1 1 ATOM 2590 O OG1 B THR A 1 342 ? -11.595 55.156 -14.529 0.50 14.26 ? 342 THR A OG1 1 ATOM 2591 C CG2 A THR A 1 342 ? -10.926 57.326 -14.122 0.50 10.72 ? 342 THR A CG2 1 ATOM 2592 C CG2 B THR A 1 342 ? -9.661 56.249 -15.236 0.50 11.69 ? 342 THR A CG2 1 ATOM 2593 N N . ILE A 1 343 ? -10.698 56.624 -10.930 1.00 8.18 ? 343 ILE A N 1 ATOM 2594 C CA . ILE A 1 343 ? -11.493 56.838 -9.749 1.00 8.07 ? 343 ILE A CA 1 ATOM 2595 C C . ILE A 1 343 ? -12.416 58.022 -10.023 1.00 8.08 ? 343 ILE A C 1 ATOM 2596 O O . ILE A 1 343 ? -11.961 59.187 -10.107 1.00 9.67 ? 343 ILE A O 1 ATOM 2597 C CB . ILE A 1 343 ? -10.624 57.119 -8.518 1.00 8.44 ? 343 ILE A CB 1 ATOM 2598 C CG1 . ILE A 1 343 ? -9.453 56.137 -8.418 1.00 9.26 ? 343 ILE A CG1 1 ATOM 2599 C CG2 . ILE A 1 343 ? -11.494 57.099 -7.253 1.00 9.34 ? 343 ILE A CG2 1 ATOM 2600 C CD1 . ILE A 1 343 ? -8.590 56.377 -7.202 1.00 10.57 ? 343 ILE A CD1 1 ATOM 2601 N N . THR A 1 344 ? -13.701 57.744 -10.173 1.00 7.86 ? 344 THR A N 1 ATOM 2602 C CA . THR A 1 344 ? -14.730 58.778 -10.344 1.00 8.59 ? 344 THR A CA 1 ATOM 2603 C C . THR A 1 344 ? -15.264 59.160 -8.958 1.00 7.57 ? 344 THR A C 1 ATOM 2604 O O . THR A 1 344 ? -14.876 58.577 -7.939 1.00 7.52 ? 344 THR A O 1 ATOM 2605 C CB . THR A 1 344 ? -15.861 58.351 -11.287 1.00 10.35 ? 344 THR A CB 1 ATOM 2606 O OG1 . THR A 1 344 ? -16.630 57.342 -10.610 1.00 10.69 ? 344 THR A OG1 1 ATOM 2607 C CG2 . THR A 1 344 ? -15.340 57.770 -12.591 1.00 12.84 ? 344 THR A CG2 1 ATOM 2608 N N . GLY A 1 345 ? -16.185 60.119 -8.917 1.00 8.45 ? 345 GLY A N 1 ATOM 2609 C CA . GLY A 1 345 ? -16.635 60.687 -7.666 1.00 8.02 ? 345 GLY A CA 1 ATOM 2610 C C . GLY A 1 345 ? -17.266 59.695 -6.727 1.00 7.60 ? 345 GLY A C 1 ATOM 2611 O O . GLY A 1 345 ? -17.157 59.851 -5.525 1.00 8.02 ? 345 GLY A O 1 ATOM 2612 N N . SER A 1 346 ? -17.931 58.664 -7.250 1.00 7.81 ? 346 SER A N 1 ATOM 2613 C CA . SER A 1 346 ? -18.502 57.648 -6.447 1.00 8.20 ? 346 SER A CA 1 ATOM 2614 C C . SER A 1 346 ? -17.490 56.913 -5.588 1.00 8.12 ? 346 SER A C 1 ATOM 2615 O O . SER A 1 346 ? -17.811 56.434 -4.515 1.00 10.27 ? 346 SER A O 1 ATOM 2616 C CB . SER A 1 346 ? -19.234 56.645 -7.363 1.00 8.48 ? 346 SER A CB 1 ATOM 2617 O OG . SER A 1 346 ? -18.397 56.108 -8.356 1.00 9.12 ? 346 SER A OG 1 ATOM 2618 N N . ASN A 1 347 ? -16.261 56.770 -6.067 1.00 6.64 ? 347 ASN A N 1 ATOM 2619 C CA . ASN A 1 347 ? -15.159 56.141 -5.349 1.00 6.62 ? 347 ASN A CA 1 ATOM 2620 C C . ASN A 1 347 ? -14.179 57.095 -4.732 1.00 6.67 ? 347 ASN A C 1 ATOM 2621 O O . ASN A 1 347 ? -13.483 56.697 -3.793 1.00 8.19 ? 347 ASN A O 1 ATOM 2622 C CB . ASN A 1 347 ? -14.418 55.129 -6.221 1.00 6.15 ? 347 ASN A CB 1 ATOM 2623 C CG . ASN A 1 347 ? -15.232 53.887 -6.492 1.00 6.16 ? 347 ASN A CG 1 ATOM 2624 O OD1 . ASN A 1 347 ? -15.625 53.607 -7.649 1.00 6.63 ? 347 ASN A OD1 1 ATOM 2625 N ND2 . ASN A 1 347 ? -15.539 53.117 -5.452 1.00 6.49 ? 347 ASN A ND2 1 ATOM 2626 N N . SER A 1 348 ? -14.065 58.329 -5.205 1.00 6.70 ? 348 SER A N 1 ATOM 2627 C CA . SER A 1 348 ? -13.139 59.266 -4.583 1.00 7.62 ? 348 SER A CA 1 ATOM 2628 C C . SER A 1 348 ? -13.722 59.945 -3.374 1.00 7.72 ? 348 SER A C 1 ATOM 2629 O O . SER A 1 348 ? -12.951 60.287 -2.462 1.00 9.69 ? 348 SER A O 1 ATOM 2630 C CB . SER A 1 348 ? -12.623 60.294 -5.575 1.00 8.22 ? 348 SER A CB 1 ATOM 2631 O OG . SER A 1 348 ? -13.697 61.033 -6.131 1.00 8.32 ? 348 SER A OG 1 ATOM 2632 N N . MET A 1 349 ? -15.029 60.189 -3.362 1.00 7.41 ? 349 MET A N 1 ATOM 2633 C CA . MET A 1 349 ? -15.607 61.083 -2.365 1.00 7.65 ? 349 MET A CA 1 ATOM 2634 C C . MET A 1 349 ? -16.427 60.327 -1.326 1.00 8.10 ? 349 MET A C 1 ATOM 2635 O O . MET A 1 349 ? -17.076 59.319 -1.629 1.00 9.05 ? 349 MET A O 1 ATOM 2636 C CB . MET A 1 349 ? -16.510 62.115 -3.050 1.00 8.27 ? 349 MET A CB 1 ATOM 2637 C CG . MET A 1 349 ? -15.832 62.905 -4.173 1.00 8.13 ? 349 MET A CG 1 ATOM 2638 S SD . MET A 1 349 ? -14.259 63.679 -3.741 1.00 8.52 ? 349 MET A SD 1 ATOM 2639 C CE . MET A 1 349 ? -14.807 64.989 -2.635 1.00 10.13 ? 349 MET A CE 1 ATOM 2640 N N . VAL A 1 350 ? -16.455 60.881 -0.141 1.00 8.31 ? 350 VAL A N 1 ATOM 2641 C CA . VAL A 1 350 ? -17.198 60.383 1.000 1.00 9.16 ? 350 VAL A CA 1 ATOM 2642 C C . VAL A 1 350 ? -18.079 61.535 1.523 1.00 9.47 ? 350 VAL A C 1 ATOM 2643 O O . VAL A 1 350 ? -17.567 62.575 1.912 1.00 10.53 ? 350 VAL A O 1 ATOM 2644 C CB . VAL A 1 350 ? -16.258 59.919 2.143 1.00 10.44 ? 350 VAL A CB 1 ATOM 2645 C CG1 . VAL A 1 350 ? -17.034 59.420 3.346 1.00 12.91 ? 350 VAL A CG1 1 ATOM 2646 C CG2 . VAL A 1 350 ? -15.302 58.810 1.631 1.00 11.97 ? 350 VAL A CG2 1 ATOM 2647 N N . TYR A 1 351 ? -19.393 61.374 1.468 1.00 10.87 ? 351 TYR A N 1 ATOM 2648 C CA . TYR A 1 351 ? -20.303 62.380 2.017 1.00 11.98 ? 351 TYR A CA 1 ATOM 2649 C C . TYR A 1 351 ? -20.274 62.341 3.557 1.00 12.38 ? 351 TYR A C 1 ATOM 2650 O O . TYR A 1 351 ? -20.397 61.289 4.186 1.00 14.98 ? 351 TYR A O 1 ATOM 2651 C CB . TYR A 1 351 ? -21.753 62.216 1.503 1.00 13.40 ? 351 TYR A CB 1 ATOM 2652 C CG . TYR A 1 351 ? -21.934 62.781 0.125 1.00 13.29 ? 351 TYR A CG 1 ATOM 2653 C CD1 . TYR A 1 351 ? -22.269 64.094 -0.042 1.00 14.77 ? 351 TYR A CD1 1 ATOM 2654 C CD2 . TYR A 1 351 ? -21.705 62.029 -1.005 1.00 13.80 ? 351 TYR A CD2 1 ATOM 2655 C CE1 . TYR A 1 351 ? -22.459 64.654 -1.307 1.00 15.27 ? 351 TYR A CE1 1 ATOM 2656 C CE2 . TYR A 1 351 ? -21.843 62.569 -2.275 1.00 16.46 ? 351 TYR A CE2 1 ATOM 2657 C CZ . TYR A 1 351 ? -22.233 63.882 -2.415 1.00 15.65 ? 351 TYR A CZ 1 ATOM 2658 O OH . TYR A 1 351 ? -22.373 64.408 -3.654 1.00 17.88 ? 351 TYR A OH 1 ATOM 2659 N N . ILE A 1 352 ? -20.129 63.532 4.147 1.00 12.61 ? 352 ILE A N 1 ATOM 2660 C CA . ILE A 1 352 ? -20.290 63.712 5.581 1.00 13.12 ? 352 ILE A CA 1 ATOM 2661 C C . ILE A 1 352 ? -21.747 64.068 5.892 1.00 14.52 ? 352 ILE A C 1 ATOM 2662 O O . ILE A 1 352 ? -22.340 63.532 6.838 1.00 17.15 ? 352 ILE A O 1 ATOM 2663 C CB . ILE A 1 352 ? -19.340 64.801 6.102 1.00 13.58 ? 352 ILE A CB 1 ATOM 2664 C CG1 . ILE A 1 352 ? -17.888 64.468 5.717 1.00 13.28 ? 352 ILE A CG1 1 ATOM 2665 C CG2 . ILE A 1 352 ? -19.493 64.960 7.628 1.00 15.48 ? 352 ILE A CG2 1 ATOM 2666 C CD1 . ILE A 1 352 ? -17.348 63.112 6.134 1.00 14.87 ? 352 ILE A CD1 1 ATOM 2667 N N . ASN A 1 353 ? -22.274 64.988 5.112 1.00 14.41 ? 353 ASN A N 1 ATOM 2668 C CA . ASN A 1 353 ? -23.667 65.374 5.209 1.00 16.47 ? 353 ASN A CA 1 ATOM 2669 C C . ASN A 1 353 ? -24.039 66.041 3.876 1.00 15.43 ? 353 ASN A C 1 ATOM 2670 O O . ASN A 1 353 ? -23.257 66.015 2.947 1.00 15.01 ? 353 ASN A O 1 ATOM 2671 C CB . ASN A 1 353 ? -23.893 66.266 6.435 1.00 17.60 ? 353 ASN A CB 1 ATOM 2672 C CG . ASN A 1 353 ? -23.021 67.499 6.432 1.00 17.56 ? 353 ASN A CG 1 ATOM 2673 O OD1 . ASN A 1 353 ? -22.947 68.198 5.445 1.00 16.95 ? 353 ASN A OD1 1 ATOM 2674 N ND2 . ASN A 1 353 ? -22.323 67.747 7.529 1.00 20.57 ? 353 ASN A ND2 1 ATOM 2675 N N . ASP A 1 354 ? -25.234 66.623 3.790 1.00 18.20 ? 354 ASP A N 1 ATOM 2676 C CA . ASP A 1 354 ? -25.689 67.215 2.520 1.00 17.23 ? 354 ASP A CA 1 ATOM 2677 C C . ASP A 1 354 ? -24.781 68.335 2.024 1.00 15.93 ? 354 ASP A C 1 ATOM 2678 O O . ASP A 1 354 ? -24.786 68.640 0.840 1.00 16.47 ? 354 ASP A O 1 ATOM 2679 C CB . ASP A 1 354 ? -27.112 67.778 2.621 1.00 20.61 ? 354 ASP A CB 1 ATOM 2680 C CG . ASP A 1 354 ? -28.168 66.719 2.739 1.00 28.05 ? 354 ASP A CG 1 ATOM 2681 O OD1 . ASP A 1 354 ? -27.934 65.536 2.401 1.00 30.70 ? 354 ASP A OD1 1 ATOM 2682 O OD2 . ASP A 1 354 ? -29.273 67.111 3.147 1.00 38.19 ? 354 ASP A OD2 1 ATOM 2683 N N . ASN A 1 355 ? -24.080 68.971 2.959 1.00 14.32 ? 355 ASN A N 1 ATOM 2684 C CA . ASN A 1 355 ? -23.284 70.170 2.676 1.00 13.56 ? 355 ASN A CA 1 ATOM 2685 C C . ASN A 1 355 ? -21.794 69.936 2.516 1.00 12.75 ? 355 ASN A C 1 ATOM 2686 O O . ASN A 1 355 ? -21.125 70.855 2.054 1.00 12.75 ? 355 ASN A O 1 ATOM 2687 C CB . ASN A 1 355 ? -23.531 71.207 3.777 1.00 15.93 ? 355 ASN A CB 1 ATOM 2688 C CG . ASN A 1 355 ? -24.953 71.666 3.798 1.00 18.76 ? 355 ASN A CG 1 ATOM 2689 O OD1 . ASN A 1 355 ? -25.454 72.194 2.799 1.00 26.51 ? 355 ASN A OD1 1 ATOM 2690 N ND2 . ASN A 1 355 ? -25.626 71.431 4.897 1.00 20.78 ? 355 ASN A ND2 1 ATOM 2691 N N . VAL A 1 356 ? -21.312 68.753 2.908 1.00 11.84 ? 356 VAL A N 1 ATOM 2692 C CA . VAL A 1 356 ? -19.867 68.524 3.026 1.00 11.36 ? 356 VAL A CA 1 ATOM 2693 C C . VAL A 1 356 ? -19.533 67.137 2.475 1.00 10.00 ? 356 VAL A C 1 ATOM 2694 O O . VAL A 1 356 ? -20.130 66.150 2.871 1.00 11.43 ? 356 VAL A O 1 ATOM 2695 C CB . VAL A 1 356 ? -19.373 68.628 4.475 1.00 12.24 ? 356 VAL A CB 1 ATOM 2696 C CG1 . VAL A 1 356 ? -17.883 68.360 4.564 1.00 12.72 ? 356 VAL A CG1 1 ATOM 2697 C CG2 . VAL A 1 356 ? -19.731 70.016 5.070 1.00 14.34 ? 356 VAL A CG2 1 ATOM 2698 N N . VAL A 1 357 ? -18.572 67.120 1.563 1.00 9.49 ? 357 VAL A N 1 ATOM 2699 C CA . VAL A 1 357 ? -18.026 65.887 1.004 1.00 9.04 ? 357 VAL A CA 1 ATOM 2700 C C . VAL A 1 357 ? -16.523 65.913 1.047 1.00 8.41 ? 357 VAL A C 1 ATOM 2701 O O . VAL A 1 357 ? -15.924 66.960 0.818 1.00 10.14 ? 357 VAL A O 1 ATOM 2702 C CB . VAL A 1 357 ? -18.577 65.722 -0.405 1.00 10.32 ? 357 VAL A CB 1 ATOM 2703 C CG1 . VAL A 1 357 ? -18.083 66.790 -1.360 1.00 11.68 ? 357 VAL A CG1 1 ATOM 2704 C CG2 . VAL A 1 357 ? -18.374 64.344 -0.942 1.00 12.65 ? 357 VAL A CG2 1 ATOM 2705 N N . CYS A 1 358 ? -15.913 64.770 1.376 1.00 8.67 ? 358 CYS A N 1 ATOM 2706 C CA . CYS A 1 358 ? -14.480 64.707 1.547 1.00 8.54 ? 358 CYS A CA 1 ATOM 2707 C C . CYS A 1 358 ? -13.810 63.793 0.529 1.00 8.63 ? 358 CYS A C 1 ATOM 2708 O O . CYS A 1 358 ? -14.391 62.778 0.128 1.00 8.82 ? 358 CYS A O 1 ATOM 2709 C CB . CYS A 1 358 ? -14.085 64.247 2.947 1.00 9.79 ? 358 CYS A CB 1 ATOM 2710 S SG . CYS A 1 358 ? -14.700 65.295 4.275 1.00 11.70 ? 358 CYS A SG 1 ATOM 2711 N N . LEU A 1 359 ? -12.582 64.134 0.147 1.00 8.36 ? 359 LEU A N 1 ATOM 2712 C CA . LEU A 1 359 ? -11.759 63.196 -0.612 1.00 8.23 ? 359 LEU A CA 1 ATOM 2713 C C . LEU A 1 359 ? -11.388 62.055 0.331 1.00 7.81 ? 359 LEU A C 1 ATOM 2714 O O . LEU A 1 359 ? -10.743 62.261 1.352 1.00 8.31 ? 359 LEU A O 1 ATOM 2715 C CB . LEU A 1 359 ? -10.527 63.904 -1.143 1.00 8.54 ? 359 LEU A CB 1 ATOM 2716 C CG . LEU A 1 359 ? -9.547 63.041 -1.925 1.00 8.72 ? 359 LEU A CG 1 ATOM 2717 C CD1 . LEU A 1 359 ? -10.181 62.486 -3.178 1.00 10.28 ? 359 LEU A CD1 1 ATOM 2718 C CD2 . LEU A 1 359 ? -8.275 63.790 -2.212 1.00 10.28 ? 359 LEU A CD2 1 ATOM 2719 N N . GLY A 1 360 ? -11.773 60.841 -0.067 1.00 8.16 ? 360 GLY A N 1 ATOM 2720 C CA . GLY A 1 360 ? -11.683 59.670 0.799 1.00 8.61 ? 360 GLY A CA 1 ATOM 2721 C C . GLY A 1 360 ? -10.321 58.969 0.783 1.00 8.06 ? 360 GLY A C 1 ATOM 2722 O O . GLY A 1 360 ? -10.256 57.758 0.553 1.00 8.55 ? 360 GLY A O 1 ATOM 2723 N N . VAL A 1 361 ? -9.267 59.747 1.037 1.00 8.12 ? 361 VAL A N 1 ATOM 2724 C CA . VAL A 1 361 ? -7.922 59.243 1.212 1.00 7.81 ? 361 VAL A CA 1 ATOM 2725 C C . VAL A 1 361 ? -7.389 59.796 2.514 1.00 7.35 ? 361 VAL A C 1 ATOM 2726 O O . VAL A 1 361 ? -7.786 60.868 2.980 1.00 8.70 ? 361 VAL A O 1 ATOM 2727 C CB . VAL A 1 361 ? -6.966 59.646 0.038 1.00 8.99 ? 361 VAL A CB 1 ATOM 2728 C CG1 . VAL A 1 361 ? -7.535 59.181 -1.297 1.00 9.96 ? 361 VAL A CG1 1 ATOM 2729 C CG2 . VAL A 1 361 ? -6.606 61.124 0.028 1.00 9.68 ? 361 VAL A CG2 1 ATOM 2730 N N . VAL A 1 362 ? -6.484 59.046 3.128 1.00 7.27 ? 362 VAL A N 1 ATOM 2731 C CA . VAL A 1 362 ? -5.938 59.403 4.435 1.00 7.21 ? 362 VAL A CA 1 ATOM 2732 C C . VAL A 1 362 ? -4.435 59.382 4.410 1.00 7.68 ? 362 VAL A C 1 ATOM 2733 O O . VAL A 1 362 ? -3.795 58.658 3.624 1.00 7.93 ? 362 VAL A O 1 ATOM 2734 C CB . VAL A 1 362 ? -6.507 58.461 5.532 1.00 8.44 ? 362 VAL A CB 1 ATOM 2735 C CG1 . VAL A 1 362 ? -8.030 58.591 5.594 1.00 9.45 ? 362 VAL A CG1 1 ATOM 2736 C CG2 . VAL A 1 362 ? -6.070 57.032 5.419 1.00 9.01 ? 362 VAL A CG2 1 ATOM 2737 N N . ASP A 1 363 ? -3.850 60.167 5.290 1.00 8.95 ? 363 ASP A N 1 ATOM 2738 C CA . ASP A 1 363 ? -2.400 60.299 5.407 1.00 9.38 ? 363 ASP A CA 1 ATOM 2739 C C . ASP A 1 363 ? -1.870 59.163 6.278 1.00 9.84 ? 363 ASP A C 1 ATOM 2740 O O . ASP A 1 363 ? -2.192 59.074 7.460 1.00 13.95 ? 363 ASP A O 1 ATOM 2741 C CB . ASP A 1 363 ? -2.115 61.649 6.047 1.00 11.49 ? 363 ASP A CB 1 ATOM 2742 C CG . ASP A 1 363 ? -0.635 61.984 6.197 1.00 12.24 ? 363 ASP A CG 1 ATOM 2743 O OD1 . ASP A 1 363 ? 0.235 61.160 5.832 1.00 11.45 ? 363 ASP A OD1 1 ATOM 2744 O OD2 . ASP A 1 363 ? -0.395 63.077 6.730 1.00 16.96 ? 363 ASP A OD2 1 ATOM 2745 N N . GLY A 1 364 ? -1.049 58.291 5.702 1.00 9.70 ? 364 GLY A N 1 ATOM 2746 C CA . GLY A 1 364 ? -0.438 57.194 6.406 1.00 10.67 ? 364 GLY A CA 1 ATOM 2747 C C . GLY A 1 364 ? 0.864 57.509 7.135 1.00 11.71 ? 364 GLY A C 1 ATOM 2748 O O . GLY A 1 364 ? 1.387 56.631 7.805 1.00 15.46 ? 364 GLY A O 1 ATOM 2749 N N . GLY A 1 365 ? 1.360 58.731 7.003 1.00 11.10 ? 365 GLY A N 1 ATOM 2750 C CA . GLY A 1 365 ? 2.617 59.061 7.594 1.00 11.64 ? 365 GLY A CA 1 ATOM 2751 C C . GLY A 1 365 ? 3.812 58.862 6.704 1.00 11.11 ? 365 GLY A C 1 ATOM 2752 O O . GLY A 1 365 ? 3.673 58.470 5.559 1.00 11.17 ? 365 GLY A O 1 ATOM 2753 N N . SER A 1 366 ? 4.978 59.134 7.262 1.00 12.92 ? 366 SER A N 1 ATOM 2754 C CA A SER A 1 366 ? 6.219 59.036 6.483 0.50 14.08 ? 366 SER A CA 1 ATOM 2755 C CA B SER A 1 366 ? 6.252 59.040 6.531 0.50 14.32 ? 366 SER A CA 1 ATOM 2756 C C . SER A 1 366 ? 6.898 57.686 6.789 1.00 16.12 ? 366 SER A C 1 ATOM 2757 O O . SER A 1 366 ? 6.494 56.992 7.711 1.00 17.21 ? 366 SER A O 1 ATOM 2758 C CB A SER A 1 366 ? 7.129 60.225 6.774 0.50 15.83 ? 366 SER A CB 1 ATOM 2759 C CB B SER A 1 366 ? 7.189 60.149 6.986 0.50 15.80 ? 366 SER A CB 1 ATOM 2760 O OG A SER A 1 366 ? 7.502 60.208 8.134 0.50 20.07 ? 366 SER A OG 1 ATOM 2761 O OG B SER A 1 366 ? 6.607 61.393 6.693 0.50 17.89 ? 366 SER A OG 1 ATOM 2762 N N . ASN A 1 367 ? 7.891 57.292 5.995 1.00 18.49 ? 367 ASN A N 1 ATOM 2763 C CA . ASN A 1 367 ? 8.555 55.976 6.235 1.00 21.51 ? 367 ASN A CA 1 ATOM 2764 C C . ASN A 1 367 ? 7.545 54.811 6.432 1.00 23.38 ? 367 ASN A C 1 ATOM 2765 O O . ASN A 1 367 ? 7.601 54.061 7.420 1.00 28.83 ? 367 ASN A O 1 ATOM 2766 C CB . ASN A 1 367 ? 9.520 55.950 7.433 1.00 24.71 ? 367 ASN A CB 1 ATOM 2767 C CG . ASN A 1 367 ? 10.342 54.643 7.464 1.00 35.43 ? 367 ASN A CG 1 ATOM 2768 O OD1 . ASN A 1 367 ? 11.037 54.302 6.482 1.00 46.61 ? 367 ASN A OD1 1 ATOM 2769 N ND2 . ASN A 1 367 ? 10.225 53.876 8.567 1.00 46.59 ? 367 ASN A ND2 1 ATOM 2770 N N . LEU A 1 368 ? 6.628 54.667 5.484 1.00 23.50 ? 368 LEU A N 1 ATOM 2771 C CA . LEU A 1 368 ? 5.526 53.698 5.524 1.00 20.53 ? 368 LEU A CA 1 ATOM 2772 C C . LEU A 1 368 ? 5.916 52.466 4.716 1.00 19.17 ? 368 LEU A C 1 ATOM 2773 O O . LEU A 1 368 ? 6.494 52.589 3.645 1.00 20.41 ? 368 LEU A O 1 ATOM 2774 C CB . LEU A 1 368 ? 4.334 54.404 4.881 1.00 21.21 ? 368 LEU A CB 1 ATOM 2775 C CG . LEU A 1 368 ? 2.884 54.108 5.039 1.00 21.26 ? 368 LEU A CG 1 ATOM 2776 C CD1 . LEU A 1 368 ? 2.541 53.773 6.486 1.00 22.34 ? 368 LEU A CD1 1 ATOM 2777 C CD2 . LEU A 1 368 ? 2.110 55.317 4.625 1.00 21.02 ? 368 LEU A CD2 1 ATOM 2778 N N . ARG A 1 369 ? 5.567 51.268 5.204 1.00 15.32 ? 369 ARG A N 1 ATOM 2779 C CA . ARG A 1 369 ? 5.927 50.068 4.478 1.00 12.13 ? 369 ARG A CA 1 ATOM 2780 C C . ARG A 1 369 ? 5.443 50.056 3.026 1.00 9.42 ? 369 ARG A C 1 ATOM 2781 O O . ARG A 1 369 ? 6.214 49.635 2.172 1.00 9.80 ? 369 ARG A O 1 ATOM 2782 C CB . ARG A 1 369 ? 5.561 48.830 5.249 1.00 12.60 ? 369 ARG A CB 1 ATOM 2783 C CG . ARG A 1 369 ? 6.054 47.544 4.590 1.00 13.24 ? 369 ARG A CG 1 ATOM 2784 C CD . ARG A 1 369 ? 6.172 46.322 5.526 1.00 16.03 ? 369 ARG A CD 1 ATOM 2785 N NE . ARG A 1 369 ? 7.281 46.494 6.474 1.00 20.00 ? 369 ARG A NE 1 ATOM 2786 C CZ . ARG A 1 369 ? 8.573 46.273 6.192 1.00 21.35 ? 369 ARG A CZ 1 ATOM 2787 N NH1 . ARG A 1 369 ? 8.977 45.848 5.001 1.00 21.88 ? 369 ARG A NH1 1 ATOM 2788 N NH2 . ARG A 1 369 ? 9.491 46.506 7.129 1.00 28.53 ? 369 ARG A NH2 1 ATOM 2789 N N . THR A 1 370 ? 4.165 50.399 2.790 1.00 8.77 ? 370 THR A N 1 ATOM 2790 C CA . THR A 1 370 ? 3.594 50.416 1.460 1.00 7.64 ? 370 THR A CA 1 ATOM 2791 C C . THR A 1 370 ? 3.132 51.843 1.197 1.00 7.69 ? 370 THR A C 1 ATOM 2792 O O . THR A 1 370 ? 2.489 52.455 2.053 1.00 9.65 ? 370 THR A O 1 ATOM 2793 C CB . THR A 1 370 ? 2.458 49.400 1.308 1.00 7.90 ? 370 THR A CB 1 ATOM 2794 O OG1 . THR A 1 370 ? 2.908 48.103 1.703 1.00 8.40 ? 370 THR A OG1 1 ATOM 2795 C CG2 . THR A 1 370 ? 1.914 49.389 -0.081 1.00 8.12 ? 370 THR A CG2 1 ATOM 2796 N N . SER A 1 371 ? 3.498 52.393 0.052 1.00 6.87 ? 371 SER A N 1 ATOM 2797 C CA . SER A 1 371 ? 3.252 53.825 -0.216 1.00 6.82 ? 371 SER A CA 1 ATOM 2798 C C . SER A 1 371 ? 1.809 54.176 -0.544 1.00 6.57 ? 371 SER A C 1 ATOM 2799 O O . SER A 1 371 ? 1.354 55.274 -0.169 1.00 7.38 ? 371 SER A O 1 ATOM 2800 C CB . SER A 1 371 ? 4.160 54.289 -1.344 1.00 7.02 ? 371 SER A CB 1 ATOM 2801 O OG . SER A 1 371 ? 5.505 54.141 -0.921 1.00 7.76 ? 371 SER A OG 1 ATOM 2802 N N . ILE A 1 372 ? 1.115 53.326 -1.281 1.00 6.40 ? 372 ILE A N 1 ATOM 2803 C CA . ILE A 1 372 ? -0.270 53.499 -1.637 1.00 6.16 ? 372 ILE A CA 1 ATOM 2804 C C . ILE A 1 372 ? -0.985 52.203 -1.254 1.00 5.91 ? 372 ILE A C 1 ATOM 2805 O O . ILE A 1 372 ? -0.610 51.142 -1.727 1.00 6.30 ? 372 ILE A O 1 ATOM 2806 C CB . ILE A 1 372 ? -0.479 53.794 -3.140 1.00 6.78 ? 372 ILE A CB 1 ATOM 2807 C CG1 . ILE A 1 372 ? 0.281 55.063 -3.542 1.00 7.45 ? 372 ILE A CG1 1 ATOM 2808 C CG2 . ILE A 1 372 ? -1.964 53.886 -3.463 1.00 7.37 ? 372 ILE A CG2 1 ATOM 2809 C CD1 . ILE A 1 372 ? 0.203 55.347 -5.025 1.00 9.02 ? 372 ILE A CD1 1 ATOM 2810 N N . VAL A 1 373 ? -2.005 52.312 -0.406 1.00 5.86 ? 373 VAL A N 1 ATOM 2811 C CA . VAL A 1 373 ? -2.832 51.175 -0.071 1.00 5.67 ? 373 VAL A CA 1 ATOM 2812 C C . VAL A 1 373 ? -4.233 51.501 -0.540 1.00 5.79 ? 373 VAL A C 1 ATOM 2813 O O . VAL A 1 373 ? -4.899 52.380 0.039 1.00 7.09 ? 373 VAL A O 1 ATOM 2814 C CB . VAL A 1 373 ? -2.796 50.859 1.444 1.00 6.60 ? 373 VAL A CB 1 ATOM 2815 C CG1 . VAL A 1 373 ? -3.709 49.669 1.743 1.00 7.92 ? 373 VAL A CG1 1 ATOM 2816 C CG2 . VAL A 1 373 ? -1.383 50.587 1.908 1.00 8.11 ? 373 VAL A CG2 1 ATOM 2817 N N . ILE A 1 374 ? -4.670 50.874 -1.632 1.00 5.80 ? 374 ILE A N 1 ATOM 2818 C CA . ILE A 1 374 ? -5.997 51.100 -2.186 1.00 5.92 ? 374 ILE A CA 1 ATOM 2819 C C . ILE A 1 374 ? -6.993 50.410 -1.260 1.00 5.93 ? 374 ILE A C 1 ATOM 2820 O O . ILE A 1 374 ? -6.925 49.184 -1.084 1.00 7.65 ? 374 ILE A O 1 ATOM 2821 C CB . ILE A 1 374 ? -6.130 50.580 -3.623 1.00 6.51 ? 374 ILE A CB 1 ATOM 2822 C CG1 . ILE A 1 374 ? -5.120 51.266 -4.550 1.00 6.81 ? 374 ILE A CG1 1 ATOM 2823 C CG2 . ILE A 1 374 ? -7.537 50.776 -4.101 1.00 7.94 ? 374 ILE A CG2 1 ATOM 2824 C CD1 . ILE A 1 374 ? -5.071 50.682 -5.946 1.00 8.42 ? 374 ILE A CD1 1 ATOM 2825 N N . GLY A 1 375 ? -7.881 51.193 -0.638 1.00 5.75 ? 375 GLY A N 1 ATOM 2826 C CA . GLY A 1 375 ? -8.753 50.707 0.402 1.00 6.08 ? 375 GLY A CA 1 ATOM 2827 C C . GLY A 1 375 ? -10.182 50.576 -0.004 1.00 5.25 ? 375 GLY A C 1 ATOM 2828 O O . GLY A 1 375 ? -10.605 50.787 -1.137 1.00 5.86 ? 375 GLY A O 1 ATOM 2829 N N . GLY A 1 376 ? -10.999 50.184 0.998 1.00 5.59 ? 376 GLY A N 1 ATOM 2830 C CA . GLY A 1 376 ? -12.331 49.686 0.756 1.00 6.47 ? 376 GLY A CA 1 ATOM 2831 C C . GLY A 1 376 ? -13.213 50.625 -0.046 1.00 6.25 ? 376 GLY A C 1 ATOM 2832 O O . GLY A 1 376 ? -13.859 50.196 -0.997 1.00 6.43 ? 376 GLY A O 1 ATOM 2833 N N . HIS A 1 377 ? -13.264 51.921 0.329 1.00 6.44 ? 377 HIS A N 1 ATOM 2834 C CA . HIS A 1 377 ? -14.159 52.823 -0.347 1.00 6.93 ? 377 HIS A CA 1 ATOM 2835 C C . HIS A 1 377 ? -13.876 52.888 -1.843 1.00 6.16 ? 377 HIS A C 1 ATOM 2836 O O . HIS A 1 377 ? -14.800 53.058 -2.647 1.00 7.22 ? 377 HIS A O 1 ATOM 2837 C CB . HIS A 1 377 ? -14.080 54.209 0.300 1.00 7.79 ? 377 HIS A CB 1 ATOM 2838 C CG . HIS A 1 377 ? -15.143 55.127 -0.169 1.00 8.72 ? 377 HIS A CG 1 ATOM 2839 N ND1 . HIS A 1 377 ? -16.410 55.131 0.359 1.00 12.04 ? 377 HIS A ND1 1 ATOM 2840 C CD2 . HIS A 1 377 ? -15.133 56.095 -1.111 1.00 10.41 ? 377 HIS A CD2 1 ATOM 2841 C CE1 . HIS A 1 377 ? -17.142 56.043 -0.281 1.00 11.41 ? 377 HIS A CE1 1 ATOM 2842 N NE2 . HIS A 1 377 ? -16.377 56.623 -1.189 1.00 11.44 ? 377 HIS A NE2 1 ATOM 2843 N N . GLN A 1 378 ? -12.592 52.809 -2.191 1.00 5.79 ? 378 GLN A N 1 ATOM 2844 C CA . GLN A 1 378 ? -12.182 52.870 -3.576 1.00 6.07 ? 378 GLN A CA 1 ATOM 2845 C C . GLN A 1 378 ? -12.392 51.557 -4.351 1.00 6.23 ? 378 GLN A C 1 ATOM 2846 O O . GLN A 1 378 ? -12.233 51.520 -5.573 1.00 8.75 ? 378 GLN A O 1 ATOM 2847 C CB . GLN A 1 378 ? -10.752 53.377 -3.709 1.00 6.05 ? 378 GLN A CB 1 ATOM 2848 C CG . GLN A 1 378 ? -10.652 54.873 -3.462 1.00 6.82 ? 378 GLN A CG 1 ATOM 2849 C CD . GLN A 1 378 ? -10.786 55.315 -2.004 1.00 6.54 ? 378 GLN A CD 1 ATOM 2850 O OE1 . GLN A 1 378 ? -10.182 54.673 -1.130 1.00 6.76 ? 378 GLN A OE1 1 ATOM 2851 N NE2 . GLN A 1 378 ? -11.476 56.405 -1.748 1.00 7.97 ? 378 GLN A NE2 1 ATOM 2852 N N . LEU A 1 379 ? -12.743 50.493 -3.654 1.00 5.62 ? 379 LEU A N 1 ATOM 2853 C CA . LEU A 1 379 ? -13.037 49.207 -4.263 1.00 5.94 ? 379 LEU A CA 1 ATOM 2854 C C . LEU A 1 379 ? -14.553 49.011 -4.457 1.00 5.60 ? 379 LEU A C 1 ATOM 2855 O O . LEU A 1 379 ? -14.955 48.118 -5.204 1.00 6.51 ? 379 LEU A O 1 ATOM 2856 C CB . LEU A 1 379 ? -12.479 48.089 -3.397 1.00 6.38 ? 379 LEU A CB 1 ATOM 2857 C CG . LEU A 1 379 ? -10.955 48.117 -3.244 1.00 6.86 ? 379 LEU A CG 1 ATOM 2858 C CD1 . LEU A 1 379 ? -10.491 47.194 -2.148 1.00 9.32 ? 379 LEU A CD1 1 ATOM 2859 C CD2 . LEU A 1 379 ? -10.285 47.827 -4.555 1.00 8.46 ? 379 LEU A CD2 1 ATOM 2860 N N . GLU A 1 380 ? -15.380 49.787 -3.792 1.00 5.43 ? 380 GLU A N 1 ATOM 2861 C CA . GLU A 1 380 ? -16.815 49.563 -3.832 1.00 5.63 ? 380 GLU A CA 1 ATOM 2862 C C . GLU A 1 380 ? -17.349 49.767 -5.234 1.00 5.73 ? 380 GLU A C 1 ATOM 2863 O O . GLU A 1 380 ? -16.963 50.724 -5.961 1.00 5.99 ? 380 GLU A O 1 ATOM 2864 C CB . GLU A 1 380 ? -17.504 50.478 -2.830 1.00 6.07 ? 380 GLU A CB 1 ATOM 2865 C CG . GLU A 1 380 ? -17.221 50.100 -1.390 1.00 6.09 ? 380 GLU A CG 1 ATOM 2866 C CD . GLU A 1 380 ? -17.694 51.076 -0.335 1.00 6.75 ? 380 GLU A CD 1 ATOM 2867 O OE1 . GLU A 1 380 ? -18.239 52.162 -0.705 1.00 8.00 ? 380 GLU A OE1 1 ATOM 2868 O OE2 . GLU A 1 380 ? -17.488 50.758 0.860 1.00 7.63 ? 380 GLU A OE2 1 ATOM 2869 N N . ASP A 1 381 ? -18.259 48.905 -5.644 1.00 5.70 ? 381 ASP A N 1 ATOM 2870 C CA . ASP A 1 381 ? -18.862 48.957 -6.970 1.00 6.25 ? 381 ASP A CA 1 ATOM 2871 C C . ASP A 1 381 ? -17.865 48.795 -8.087 1.00 6.26 ? 381 ASP A C 1 ATOM 2872 O O . ASP A 1 381 ? -18.168 49.157 -9.225 1.00 7.96 ? 381 ASP A O 1 ATOM 2873 C CB . ASP A 1 381 ? -19.792 50.137 -7.159 1.00 6.95 ? 381 ASP A CB 1 ATOM 2874 C CG . ASP A 1 381 ? -21.033 50.036 -6.274 1.00 7.18 ? 381 ASP A CG 1 ATOM 2875 O OD1 . ASP A 1 381 ? -21.540 48.899 -6.105 1.00 8.30 ? 381 ASP A OD1 1 ATOM 2876 O OD2 . ASP A 1 381 ? -21.509 51.064 -5.732 1.00 8.90 ? 381 ASP A OD2 1 ATOM 2877 N N . ASN A 1 382 ? -16.709 48.208 -7.802 1.00 6.03 ? 382 ASN A N 1 ATOM 2878 C CA . ASN A 1 382 ? -15.760 47.791 -8.824 1.00 6.38 ? 382 ASN A CA 1 ATOM 2879 C C . ASN A 1 382 ? -15.592 46.286 -8.660 1.00 6.21 ? 382 ASN A C 1 ATOM 2880 O O . ASN A 1 382 ? -15.499 45.797 -7.550 1.00 8.57 ? 382 ASN A O 1 ATOM 2881 C CB . ASN A 1 382 ? -14.390 48.433 -8.651 1.00 6.82 ? 382 ASN A CB 1 ATOM 2882 C CG . ASN A 1 382 ? -14.347 49.942 -8.932 1.00 6.89 ? 382 ASN A CG 1 ATOM 2883 O OD1 . ASN A 1 382 ? -13.553 50.400 -9.784 1.00 9.15 ? 382 ASN A OD1 1 ATOM 2884 N ND2 . ASN A 1 382 ? -15.085 50.717 -8.202 1.00 7.62 ? 382 ASN A ND2 1 ATOM 2885 N N . LEU A 1 383 ? -15.592 45.559 -9.762 1.00 5.61 ? 383 LEU A N 1 ATOM 2886 C CA . LEU A 1 383 ? -15.210 44.139 -9.736 1.00 6.04 ? 383 LEU A CA 1 ATOM 2887 C C . LEU A 1 383 ? -13.704 44.085 -9.951 1.00 5.48 ? 383 LEU A C 1 ATOM 2888 O O . LEU A 1 383 ? -13.189 44.589 -10.952 1.00 6.37 ? 383 LEU A O 1 ATOM 2889 C CB . LEU A 1 383 ? -15.991 43.362 -10.787 1.00 6.89 ? 383 LEU A CB 1 ATOM 2890 C CG . LEU A 1 383 ? -15.767 41.850 -10.707 1.00 9.22 ? 383 LEU A CG 1 ATOM 2891 C CD1 . LEU A 1 383 ? -16.948 41.005 -10.847 1.00 13.62 ? 383 LEU A CD1 1 ATOM 2892 C CD2 . LEU A 1 383 ? -14.543 41.366 -11.381 1.00 6.97 ? 383 LEU A CD2 1 ATOM 2893 N N . VAL A 1 384 ? -13.016 43.451 -8.991 1.00 5.30 ? 384 VAL A N 1 ATOM 2894 C CA . VAL A 1 384 ? -11.580 43.298 -9.040 1.00 5.51 ? 384 VAL A CA 1 ATOM 2895 C C . VAL A 1 384 ? -11.286 41.797 -9.032 1.00 5.15 ? 384 VAL A C 1 ATOM 2896 O O . VAL A 1 384 ? -11.715 41.095 -8.104 1.00 6.21 ? 384 VAL A O 1 ATOM 2897 C CB . VAL A 1 384 ? -10.852 44.030 -7.926 1.00 6.56 ? 384 VAL A CB 1 ATOM 2898 C CG1 . VAL A 1 384 ? -9.351 43.936 -8.109 1.00 8.13 ? 384 VAL A CG1 1 ATOM 2899 C CG2 . VAL A 1 384 ? -11.339 45.485 -7.843 1.00 8.71 ? 384 VAL A CG2 1 ATOM 2900 N N . GLN A 1 385 ? -10.588 41.327 -10.041 1.00 5.25 ? 385 GLN A N 1 ATOM 2901 C CA . GLN A 1 385 ? -10.243 39.922 -10.221 1.00 5.34 ? 385 GLN A CA 1 ATOM 2902 C C . GLN A 1 385 ? -8.761 39.736 -9.956 1.00 5.45 ? 385 GLN A C 1 ATOM 2903 O O . GLN A 1 385 ? -7.926 40.468 -10.476 1.00 6.43 ? 385 GLN A O 1 ATOM 2904 C CB . GLN A 1 385 ? -10.600 39.478 -11.640 1.00 5.92 ? 385 GLN A CB 1 ATOM 2905 C CG . GLN A 1 385 ? -10.445 37.971 -11.850 1.00 6.06 ? 385 GLN A CG 1 ATOM 2906 C CD . GLN A 1 385 ? -10.507 37.648 -13.318 1.00 6.53 ? 385 GLN A CD 1 ATOM 2907 O OE1 . GLN A 1 385 ? -9.538 37.920 -14.033 1.00 7.73 ? 385 GLN A OE1 1 ATOM 2908 N NE2 . GLN A 1 385 ? -11.614 37.136 -13.808 1.00 7.08 ? 385 GLN A NE2 1 ATOM 2909 N N . PHE A 1 386 ? -8.434 38.728 -9.159 1.00 5.54 ? 386 PHE A N 1 ATOM 2910 C CA . PHE A 1 386 ? -7.065 38.387 -8.830 1.00 5.97 ? 386 PHE A CA 1 ATOM 2911 C C . PHE A 1 386 ? -6.812 37.004 -9.424 1.00 6.63 ? 386 PHE A C 1 ATOM 2912 O O . PHE A 1 386 ? -7.447 36.035 -9.013 1.00 7.19 ? 386 PHE A O 1 ATOM 2913 C CB . PHE A 1 386 ? -6.878 38.380 -7.311 1.00 6.84 ? 386 PHE A CB 1 ATOM 2914 C CG . PHE A 1 386 ? -7.247 39.659 -6.662 1.00 7.03 ? 386 PHE A CG 1 ATOM 2915 C CD1 . PHE A 1 386 ? -6.309 40.655 -6.449 1.00 8.11 ? 386 PHE A CD1 1 ATOM 2916 C CD2 . PHE A 1 386 ? -8.555 39.902 -6.276 1.00 8.01 ? 386 PHE A CD2 1 ATOM 2917 C CE1 . PHE A 1 386 ? -6.670 41.863 -5.863 1.00 9.24 ? 386 PHE A CE1 1 ATOM 2918 C CE2 . PHE A 1 386 ? -8.914 41.111 -5.694 1.00 8.57 ? 386 PHE A CE2 1 ATOM 2919 C CZ . PHE A 1 386 ? -7.946 42.089 -5.474 1.00 9.14 ? 386 PHE A CZ 1 ATOM 2920 N N . ASP A 1 387 ? -5.910 36.940 -10.389 1.00 7.84 ? 387 ASP A N 1 ATOM 2921 C CA . ASP A 1 387 ? -5.647 35.718 -11.110 1.00 9.28 ? 387 ASP A CA 1 ATOM 2922 C C . ASP A 1 387 ? -4.242 35.271 -10.761 1.00 10.13 ? 387 ASP A C 1 ATOM 2923 O O . ASP A 1 387 ? -3.248 35.793 -11.253 1.00 11.62 ? 387 ASP A O 1 ATOM 2924 C CB . ASP A 1 387 ? -5.857 35.936 -12.585 1.00 11.19 ? 387 ASP A CB 1 ATOM 2925 C CG . ASP A 1 387 ? -5.710 34.662 -13.378 1.00 14.30 ? 387 ASP A CG 1 ATOM 2926 O OD1 . ASP A 1 387 ? -5.097 33.700 -12.882 1.00 15.56 ? 387 ASP A OD1 1 ATOM 2927 O OD2 . ASP A 1 387 ? -6.124 34.678 -14.543 1.00 20.22 ? 387 ASP A OD2 1 ATOM 2928 N N . LEU A 1 388 ? -4.164 34.297 -9.854 1.00 12.21 ? 388 LEU A N 1 ATOM 2929 C CA . LEU A 1 388 ? -2.893 33.825 -9.324 1.00 15.11 ? 388 LEU A CA 1 ATOM 2930 C C . LEU A 1 388 ? -2.236 32.857 -10.318 1.00 18.27 ? 388 LEU A C 1 ATOM 2931 O O . LEU A 1 388 ? -1.024 32.683 -10.309 1.00 25.49 ? 388 LEU A O 1 ATOM 2932 C CB . LEU A 1 388 ? -3.059 33.198 -7.900 1.00 14.78 ? 388 LEU A CB 1 ATOM 2933 C CG . LEU A 1 388 ? -3.476 34.038 -6.654 1.00 16.47 ? 388 LEU A CG 1 ATOM 2934 C CD1 . LEU A 1 388 ? -4.913 34.562 -6.680 1.00 16.38 ? 388 LEU A CD1 1 ATOM 2935 C CD2 . LEU A 1 388 ? -3.202 33.290 -5.354 1.00 18.53 ? 388 LEU A CD2 1 ATOM 2936 N N . ALA A 1 389 ? -3.022 32.273 -11.208 1.00 18.80 ? 389 ALA A N 1 ATOM 2937 C CA . ALA A 1 389 ? -2.454 31.393 -12.226 1.00 23.90 ? 389 ALA A CA 1 ATOM 2938 C C . ALA A 1 389 ? -1.687 32.156 -13.288 1.00 24.47 ? 389 ALA A C 1 ATOM 2939 O O . ALA A 1 389 ? -0.703 31.649 -13.768 1.00 39.04 ? 389 ALA A O 1 ATOM 2940 C CB . ALA A 1 389 ? -3.546 30.594 -12.898 1.00 26.81 ? 389 ALA A CB 1 ATOM 2941 N N . THR A 1 390 ? -2.155 33.337 -13.699 1.00 20.08 ? 390 THR A N 1 ATOM 2942 C CA . THR A 1 390 ? -1.579 34.123 -14.753 1.00 18.36 ? 390 THR A CA 1 ATOM 2943 C C . THR A 1 390 ? -0.910 35.386 -14.213 1.00 13.06 ? 390 THR A C 1 ATOM 2944 O O . THR A 1 390 ? -0.329 36.140 -14.976 1.00 13.44 ? 390 THR A O 1 ATOM 2945 C CB . THR A 1 390 ? -2.605 34.534 -15.831 1.00 20.40 ? 390 THR A CB 1 ATOM 2946 O OG1 . THR A 1 390 ? -3.570 35.437 -15.296 1.00 22.04 ? 390 THR A OG1 1 ATOM 2947 C CG2 . THR A 1 390 ? -3.246 33.303 -16.470 1.00 28.84 ? 390 THR A CG2 1 ATOM 2948 N N . SER A 1 391 ? -0.892 35.557 -12.908 1.00 11.31 ? 391 SER A N 1 ATOM 2949 C CA . SER A 1 391 ? -0.246 36.667 -12.254 1.00 9.48 ? 391 SER A CA 1 ATOM 2950 C C . SER A 1 391 ? -0.745 38.002 -12.779 1.00 7.42 ? 391 SER A C 1 ATOM 2951 O O . SER A 1 391 ? 0.056 38.862 -13.175 1.00 8.00 ? 391 SER A O 1 ATOM 2952 C CB . SER A 1 391 ? 1.269 36.576 -12.387 1.00 12.44 ? 391 SER A CB 1 ATOM 2953 O OG . SER A 1 391 ? 1.762 35.412 -11.767 1.00 17.27 ? 391 SER A OG 1 ATOM 2954 N N . ARG A 1 392 ? -2.042 38.213 -12.705 1.00 7.22 ? 392 ARG A N 1 ATOM 2955 C CA . ARG A 1 392 ? -2.627 39.450 -13.151 1.00 7.18 ? 392 ARG A CA 1 ATOM 2956 C C . ARG A 1 392 ? -3.734 39.861 -12.223 1.00 6.48 ? 392 ARG A C 1 ATOM 2957 O O . ARG A 1 392 ? -4.352 39.024 -11.552 1.00 7.30 ? 392 ARG A O 1 ATOM 2958 C CB . ARG A 1 392 ? -3.120 39.403 -14.583 1.00 10.16 ? 392 ARG A CB 1 ATOM 2959 C CG . ARG A 1 392 ? -4.077 38.466 -14.877 1.00 14.67 ? 392 ARG A CG 1 ATOM 2960 C CD . ARG A 1 392 ? -4.205 38.328 -16.397 1.00 17.68 ? 392 ARG A CD 1 ATOM 2961 N NE . ARG A 1 392 ? -5.308 37.438 -16.651 1.00 19.51 ? 392 ARG A NE 1 ATOM 2962 C CZ . ARG A 1 392 ? -6.074 37.438 -17.718 1.00 21.11 ? 392 ARG A CZ 1 ATOM 2963 N NH1 . ARG A 1 392 ? -5.800 38.289 -18.679 1.00 21.49 ? 392 ARG A NH1 1 ATOM 2964 N NH2 . ARG A 1 392 ? -7.126 36.625 -17.772 1.00 24.10 ? 392 ARG A NH2 1 ATOM 2965 N N . VAL A 1 393 ? -3.984 41.163 -12.196 1.00 6.09 ? 393 VAL A N 1 ATOM 2966 C CA . VAL A 1 393 ? -5.130 41.772 -11.527 1.00 5.74 ? 393 VAL A CA 1 ATOM 2967 C C . VAL A 1 393 ? -5.966 42.446 -12.614 1.00 5.54 ? 393 VAL A C 1 ATOM 2968 O O . VAL A 1 393 ? -5.432 43.247 -13.392 1.00 6.72 ? 393 VAL A O 1 ATOM 2969 C CB . VAL A 1 393 ? -4.684 42.790 -10.462 1.00 6.26 ? 393 VAL A CB 1 ATOM 2970 C CG1 . VAL A 1 393 ? -5.895 43.450 -9.817 1.00 7.70 ? 393 VAL A CG1 1 ATOM 2971 C CG2 . VAL A 1 393 ? -3.805 42.102 -9.405 1.00 7.54 ? 393 VAL A CG2 1 ATOM 2972 N N . GLY A 1 394 ? -7.247 42.107 -12.663 1.00 5.49 ? 394 GLY A N 1 ATOM 2973 C CA . GLY A 1 394 ? -8.188 42.735 -13.578 1.00 5.90 ? 394 GLY A CA 1 ATOM 2974 C C . GLY A 1 394 ? -9.178 43.610 -12.821 1.00 5.65 ? 394 GLY A C 1 ATOM 2975 O O . GLY A 1 394 ? -9.543 43.301 -11.686 1.00 6.93 ? 394 GLY A O 1 ATOM 2976 N N . PHE A 1 395 ? -9.644 44.661 -13.463 1.00 5.85 ? 395 PHE A N 1 ATOM 2977 C CA . PHE A 1 395 ? -10.598 45.522 -12.801 1.00 5.86 ? 395 PHE A CA 1 ATOM 2978 C C . PHE A 1 395 ? -11.571 46.116 -13.805 1.00 5.83 ? 395 PHE A C 1 ATOM 2979 O O . PHE A 1 395 ? -11.228 46.346 -14.975 1.00 6.53 ? 395 PHE A O 1 ATOM 2980 C CB . PHE A 1 395 ? -9.867 46.623 -11.977 1.00 6.88 ? 395 PHE A CB 1 ATOM 2981 C CG . PHE A 1 395 ? -8.850 47.411 -12.766 1.00 7.00 ? 395 PHE A CG 1 ATOM 2982 C CD1 . PHE A 1 395 ? -7.553 47.034 -12.810 1.00 8.20 ? 395 PHE A CD1 1 ATOM 2983 C CD2 . PHE A 1 395 ? -9.244 48.528 -13.474 1.00 7.34 ? 395 PHE A CD2 1 ATOM 2984 C CE1 . PHE A 1 395 ? -6.618 47.749 -13.543 1.00 9.64 ? 395 PHE A CE1 1 ATOM 2985 C CE2 . PHE A 1 395 ? -8.323 49.269 -14.216 1.00 8.40 ? 395 PHE A CE2 1 ATOM 2986 C CZ . PHE A 1 395 ? -7.010 48.872 -14.244 1.00 9.74 ? 395 PHE A CZ 1 ATOM 2987 N N . SER A 1 396 ? -12.785 46.394 -13.330 1.00 6.12 ? 396 SER A N 1 ATOM 2988 C CA . SER A 1 396 ? -13.855 46.832 -14.191 1.00 6.96 ? 396 SER A CA 1 ATOM 2989 C C . SER A 1 396 ? -14.036 48.349 -14.286 1.00 7.23 ? 396 SER A C 1 ATOM 2990 O O . SER A 1 396 ? -14.781 48.811 -15.156 1.00 8.99 ? 396 SER A O 1 ATOM 2991 C CB . SER A 1 396 ? -15.186 46.253 -13.703 1.00 6.69 ? 396 SER A CB 1 ATOM 2992 O OG . SER A 1 396 ? -15.471 46.702 -12.381 1.00 6.73 ? 396 SER A OG 1 ATOM 2993 N N . GLY A 1 397 ? -13.440 49.122 -13.377 1.00 7.13 ? 397 GLY A N 1 ATOM 2994 C CA . GLY A 1 397 ? -13.930 50.459 -13.124 1.00 7.86 ? 397 GLY A CA 1 ATOM 2995 C C . GLY A 1 397 ? -15.298 50.395 -12.460 1.00 7.79 ? 397 GLY A C 1 ATOM 2996 O O . GLY A 1 397 ? -15.869 49.333 -12.226 1.00 8.11 ? 397 GLY A O 1 ATOM 2997 N N . THR A 1 398 ? -15.887 51.560 -12.166 1.00 7.45 ? 398 THR A N 1 ATOM 2998 C CA . THR A 1 398 ? -17.144 51.507 -11.484 1.00 7.29 ? 398 THR A CA 1 ATOM 2999 C C . THR A 1 398 ? -18.228 50.875 -12.354 1.00 7.19 ? 398 THR A C 1 ATOM 3000 O O . THR A 1 398 ? -18.422 51.242 -13.512 1.00 9.28 ? 398 THR A O 1 ATOM 3001 C CB . THR A 1 398 ? -17.628 52.876 -10.984 1.00 8.09 ? 398 THR A CB 1 ATOM 3002 O OG1 . THR A 1 398 ? -18.898 52.673 -10.360 1.00 8.66 ? 398 THR A OG1 1 ATOM 3003 C CG2 . THR A 1 398 ? -17.758 53.938 -12.063 1.00 9.67 ? 398 THR A CG2 1 ATOM 3004 N N . LEU A 1 399 ? -18.971 49.975 -11.750 1.00 7.03 ? 399 LEU A N 1 ATOM 3005 C CA . LEU A 1 399 ? -20.106 49.335 -12.386 1.00 7.61 ? 399 LEU A CA 1 ATOM 3006 C C . LEU A 1 399 ? -21.257 50.325 -12.609 1.00 7.59 ? 399 LEU A C 1 ATOM 3007 O O . LEU A 1 399 ? -22.161 50.055 -13.407 1.00 8.65 ? 399 LEU A O 1 ATOM 3008 C CB . LEU A 1 399 ? -20.596 48.140 -11.595 1.00 8.17 ? 399 LEU A CB 1 ATOM 3009 C CG . LEU A 1 399 ? -19.604 46.966 -11.555 1.00 10.25 ? 399 LEU A CG 1 ATOM 3010 C CD1 . LEU A 1 399 ? -20.206 45.863 -10.677 1.00 12.71 ? 399 LEU A CD1 1 ATOM 3011 C CD2 . LEU A 1 399 ? -19.163 46.453 -12.926 1.00 12.05 ? 399 LEU A CD2 1 ATOM 3012 N N . LEU A 1 400 ? -21.228 51.475 -11.943 1.00 8.21 ? 400 LEU A N 1 ATOM 3013 C CA A LEU A 1 400 ? -22.251 52.477 -12.162 0.50 8.62 ? 400 LEU A CA 1 ATOM 3014 C CA B LEU A 1 400 ? -22.236 52.495 -12.161 0.50 8.68 ? 400 LEU A CA 1 ATOM 3015 C C . LEU A 1 400 ? -22.261 52.900 -13.625 1.00 10.30 ? 400 LEU A C 1 ATOM 3016 O O . LEU A 1 400 ? -23.297 53.305 -14.136 1.00 12.98 ? 400 LEU A O 1 ATOM 3017 C CB A LEU A 1 400 ? -22.024 53.669 -11.235 0.50 8.76 ? 400 LEU A CB 1 ATOM 3018 C CB B LEU A 1 400 ? -21.953 53.709 -11.272 0.50 8.99 ? 400 LEU A CB 1 ATOM 3019 C CG A LEU A 1 400 ? -22.076 53.397 -9.742 0.50 9.56 ? 400 LEU A CG 1 ATOM 3020 C CG B LEU A 1 400 ? -22.440 53.673 -9.836 0.50 11.11 ? 400 LEU A CG 1 ATOM 3021 C CD1 A LEU A 1 400 ? -21.884 54.719 -9.031 0.50 12.37 ? 400 LEU A CD1 1 ATOM 3022 C CD1 B LEU A 1 400 ? -22.126 52.383 -9.114 0.50 10.96 ? 400 LEU A CD1 1 ATOM 3023 C CD2 A LEU A 1 400 ? -23.407 52.818 -9.305 0.50 10.41 ? 400 LEU A CD2 1 ATOM 3024 C CD2 B LEU A 1 400 ? -21.832 54.814 -9.043 0.50 13.25 ? 400 LEU A CD2 1 ATOM 3025 N N . GLY A 1 401 ? -21.105 52.828 -14.297 1.00 10.73 ? 401 GLY A N 1 ATOM 3026 C CA . GLY A 1 401 ? -21.064 53.165 -15.714 1.00 12.62 ? 401 GLY A CA 1 ATOM 3027 C C . GLY A 1 401 ? -21.888 52.237 -16.583 1.00 14.05 ? 401 GLY A C 1 ATOM 3028 O O . GLY A 1 401 ? -22.214 52.589 -17.683 1.00 18.62 ? 401 GLY A O 1 ATOM 3029 N N . SER A 1 402 ? -22.224 51.055 -16.095 1.00 12.55 ? 402 SER A N 1 ATOM 3030 C CA . SER A 1 402 ? -23.059 50.091 -16.767 1.00 13.90 ? 402 SER A CA 1 ATOM 3031 C C . SER A 1 402 ? -24.460 49.996 -16.153 1.00 13.50 ? 402 SER A C 1 ATOM 3032 O O . SER A 1 402 ? -25.230 49.067 -16.452 1.00 16.09 ? 402 SER A O 1 ATOM 3033 C CB . SER A 1 402 ? -22.416 48.740 -16.732 1.00 14.59 ? 402 SER A CB 1 ATOM 3034 O OG . SER A 1 402 ? -21.212 48.713 -17.468 1.00 16.91 ? 402 SER A OG 1 ATOM 3035 N N . ARG A 1 403 ? -24.808 50.941 -15.299 1.00 14.13 ? 403 ARG A N 1 ATOM 3036 C CA . ARG A 1 403 ? -26.127 50.957 -14.674 1.00 15.12 ? 403 ARG A CA 1 ATOM 3037 C C . ARG A 1 403 ? -26.381 49.706 -13.837 1.00 14.19 ? 403 ARG A C 1 ATOM 3038 O O . ARG A 1 403 ? -27.493 49.173 -13.775 1.00 17.00 ? 403 ARG A O 1 ATOM 3039 C CB . ARG A 1 403 ? -27.237 51.228 -15.706 1.00 17.67 ? 403 ARG A CB 1 ATOM 3040 C CG . ARG A 1 403 ? -27.052 52.526 -16.470 1.00 22.60 ? 403 ARG A CG 1 ATOM 3041 C CD . ARG A 1 403 ? -28.099 52.725 -17.520 1.00 28.05 ? 403 ARG A CD 1 ATOM 3042 N NE . ARG A 1 403 ? -29.408 52.174 -17.177 1.00 39.47 ? 403 ARG A NE 1 ATOM 3043 C CZ . ARG A 1 403 ? -30.579 52.817 -17.287 1.00 45.97 ? 403 ARG A CZ 1 ATOM 3044 N NH1 . ARG A 1 403 ? -30.641 54.075 -17.733 1.00 50.22 ? 403 ARG A NH1 1 ATOM 3045 N NH2 . ARG A 1 403 ? -31.706 52.183 -16.947 1.00 48.69 ? 403 ARG A NH2 1 ATOM 3046 N N . THR A 1 404 ? -25.348 49.297 -13.110 1.00 11.85 ? 404 THR A N 1 ATOM 3047 C CA . THR A 1 404 ? -25.498 48.219 -12.133 1.00 11.00 ? 404 THR A CA 1 ATOM 3048 C C . THR A 1 404 ? -24.615 48.572 -10.931 1.00 9.83 ? 404 THR A C 1 ATOM 3049 O O . THR A 1 404 ? -24.022 49.663 -10.858 1.00 10.28 ? 404 THR A O 1 ATOM 3050 C CB . THR A 1 404 ? -25.250 46.817 -12.740 1.00 11.13 ? 404 THR A CB 1 ATOM 3051 O OG1 . THR A 1 404 ? -25.692 45.805 -11.812 1.00 11.90 ? 404 THR A OG1 1 ATOM 3052 C CG2 . THR A 1 404 ? -23.855 46.571 -13.075 1.00 11.25 ? 404 THR A CG2 1 ATOM 3053 N N . THR A 1 405 ? -24.579 47.659 -9.977 1.00 9.21 ? 405 THR A N 1 ATOM 3054 C CA . THR A 1 405 ? -23.808 47.807 -8.746 1.00 8.29 ? 405 THR A CA 1 ATOM 3055 C C . THR A 1 405 ? -23.346 46.446 -8.288 1.00 7.52 ? 405 THR A C 1 ATOM 3056 O O . THR A 1 405 ? -23.905 45.421 -8.713 1.00 8.14 ? 405 THR A O 1 ATOM 3057 C CB . THR A 1 405 ? -24.631 48.447 -7.604 1.00 8.80 ? 405 THR A CB 1 ATOM 3058 O OG1 . THR A 1 405 ? -25.446 47.457 -6.996 1.00 11.11 ? 405 THR A OG1 1 ATOM 3059 C CG2 . THR A 1 405 ? -25.474 49.635 -8.048 1.00 11.27 ? 405 THR A CG2 1 ATOM 3060 N N . CYS A 1 406 ? -22.370 46.411 -7.396 1.00 7.07 ? 406 CYS A N 1 ATOM 3061 C CA . CYS A 1 406 ? -21.941 45.132 -6.832 1.00 7.37 ? 406 CYS A CA 1 ATOM 3062 C C . CYS A 1 406 ? -23.046 44.441 -6.003 1.00 7.66 ? 406 CYS A C 1 ATOM 3063 O O . CYS A 1 406 ? -23.019 43.210 -5.888 1.00 11.16 ? 406 CYS A O 1 ATOM 3064 C CB . CYS A 1 406 ? -20.696 45.273 -5.970 1.00 8.03 ? 406 CYS A CB 1 ATOM 3065 S SG . CYS A 1 406 ? -19.152 45.515 -6.837 1.00 7.40 ? 406 CYS A SG 1 ATOM 3066 N N . ALA A 1 407 ? -23.975 45.212 -5.456 1.00 7.27 ? 407 ALA A N 1 ATOM 3067 C CA . ALA A 1 407 ? -25.109 44.663 -4.702 1.00 8.34 ? 407 ALA A CA 1 ATOM 3068 C C . ALA A 1 407 ? -26.208 44.109 -5.619 1.00 8.87 ? 407 ALA A C 1 ATOM 3069 O O . ALA A 1 407 ? -27.192 43.586 -5.138 1.00 11.80 ? 407 ALA A O 1 ATOM 3070 C CB . ALA A 1 407 ? -25.687 45.696 -3.773 1.00 10.41 ? 407 ALA A CB 1 ATOM 3071 N N . ASN A 1 408 ? -26.034 44.192 -6.918 1.00 9.36 ? 408 ASN A N 1 ATOM 3072 C CA . ASN A 1 408 ? -27.019 43.676 -7.867 1.00 9.57 ? 408 ASN A CA 1 ATOM 3073 C C . ASN A 1 408 ? -26.722 42.261 -8.349 1.00 9.70 ? 408 ASN A C 1 ATOM 3074 O O . ASN A 1 408 ? -27.320 41.799 -9.318 1.00 11.33 ? 408 ASN A O 1 ATOM 3075 C CB . ASN A 1 408 ? -27.139 44.566 -9.103 1.00 10.94 ? 408 ASN A CB 1 ATOM 3076 C CG . ASN A 1 408 ? -27.879 45.798 -8.903 1.00 14.47 ? 408 ASN A CG 1 ATOM 3077 O OD1 . ASN A 1 408 ? -27.846 46.394 -7.883 1.00 21.12 ? 408 ASN A OD1 1 ATOM 3078 N ND2 . ASN A 1 408 ? -28.384 46.329 -9.993 1.00 19.94 ? 408 ASN A ND2 1 ATOM 3079 N N . PHE A 1 409 ? -25.837 41.510 -7.692 1.00 11.77 ? 409 PHE A N 1 ATOM 3080 C CA . PHE A 1 409 ? -25.751 40.093 -7.971 1.00 11.22 ? 409 PHE A CA 1 ATOM 3081 C C . PHE A 1 409 ? -27.011 39.370 -7.454 1.00 10.97 ? 409 PHE A C 1 ATOM 3082 O O . PHE A 1 409 ? -27.488 39.631 -6.368 1.00 12.58 ? 409 PHE A O 1 ATOM 3083 C CB . PHE A 1 409 ? -24.487 39.480 -7.338 1.00 11.92 ? 409 PHE A CB 1 ATOM 3084 C CG . PHE A 1 409 ? -24.201 38.102 -7.854 1.00 11.14 ? 409 PHE A CG 1 ATOM 3085 C CD1 . PHE A 1 409 ? -23.509 37.941 -9.033 1.00 11.86 ? 409 PHE A CD1 1 ATOM 3086 C CD2 . PHE A 1 409 ? -24.648 36.969 -7.204 1.00 11.88 ? 409 PHE A CD2 1 ATOM 3087 C CE1 . PHE A 1 409 ? -23.256 36.710 -9.540 1.00 12.73 ? 409 PHE A CE1 1 ATOM 3088 C CE2 . PHE A 1 409 ? -24.381 35.717 -7.728 1.00 12.51 ? 409 PHE A CE2 1 ATOM 3089 C CZ . PHE A 1 409 ? -23.681 35.587 -8.898 1.00 12.60 ? 409 PHE A CZ 1 ATOM 3090 N N . ASN A 1 410 ? -27.464 38.380 -8.233 1.00 10.86 ? 410 ASN A N 1 ATOM 3091 C CA . ASN A 1 410 ? -28.603 37.551 -7.811 1.00 12.12 ? 410 ASN A CA 1 ATOM 3092 C C . ASN A 1 410 ? -28.168 36.471 -6.799 1.00 11.31 ? 410 ASN A C 1 ATOM 3093 O O . ASN A 1 410 ? -27.997 35.305 -7.153 1.00 12.58 ? 410 ASN A O 1 ATOM 3094 C CB . ASN A 1 410 ? -29.223 36.928 -9.047 1.00 13.10 ? 410 ASN A CB 1 ATOM 3095 C CG . ASN A 1 410 ? -30.477 36.167 -8.746 1.00 15.66 ? 410 ASN A CG 1 ATOM 3096 O OD1 . ASN A 1 410 ? -30.918 36.089 -7.593 1.00 18.94 ? 410 ASN A OD1 1 ATOM 3097 N ND2 . ASN A 1 410 ? -31.079 35.614 -9.799 1.00 19.41 ? 410 ASN A ND2 1 ATOM 3098 N N . PHE A 1 411 ? -27.998 36.918 -5.547 1.00 12.69 ? 411 PHE A N 1 ATOM 3099 C CA . PHE A 1 411 ? -27.568 36.029 -4.450 1.00 11.27 ? 411 PHE A CA 1 ATOM 3100 C C . PHE A 1 411 ? -28.775 35.693 -3.591 1.00 11.85 ? 411 PHE A C 1 ATOM 3101 O O . PHE A 1 411 ? -29.558 36.586 -3.225 1.00 14.50 ? 411 PHE A O 1 ATOM 3102 C CB . PHE A 1 411 ? -26.496 36.709 -3.582 1.00 11.07 ? 411 PHE A CB 1 ATOM 3103 C CG . PHE A 1 411 ? -26.050 35.857 -2.475 1.00 10.21 ? 411 PHE A CG 1 ATOM 3104 C CD1 . PHE A 1 411 ? -25.041 34.912 -2.656 1.00 10.82 ? 411 PHE A CD1 1 ATOM 3105 C CD2 . PHE A 1 411 ? -26.669 35.940 -1.228 1.00 11.93 ? 411 PHE A CD2 1 ATOM 3106 C CE1 . PHE A 1 411 ? -24.682 34.043 -1.638 1.00 11.84 ? 411 PHE A CE1 1 ATOM 3107 C CE2 . PHE A 1 411 ? -26.294 35.076 -0.203 1.00 11.78 ? 411 PHE A CE2 1 ATOM 3108 C CZ . PHE A 1 411 ? -25.333 34.125 -0.410 1.00 11.58 ? 411 PHE A CZ 1 ATOM 3109 N N . THR A 1 412 ? -28.872 34.417 -3.212 1.00 11.35 ? 412 THR A N 1 ATOM 3110 C CA . THR A 1 412 ? -29.859 33.944 -2.260 1.00 13.04 ? 412 THR A CA 1 ATOM 3111 C C . THR A 1 412 ? -29.159 33.038 -1.272 1.00 12.87 ? 412 THR A C 1 ATOM 3112 O O . THR A 1 412 ? -28.487 32.095 -1.675 1.00 12.75 ? 412 THR A O 1 ATOM 3113 C CB . THR A 1 412 ? -30.981 33.159 -2.981 1.00 16.19 ? 412 THR A CB 1 ATOM 3114 O OG1 . THR A 1 412 ? -31.537 33.979 -4.012 1.00 19.44 ? 412 THR A OG1 1 ATOM 3115 C CG2 . THR A 1 412 ? -32.059 32.716 -1.991 1.00 19.63 ? 412 THR A CG2 1 ATOM 3116 N N . SER A 1 413 ? -29.341 33.300 0.022 1.00 15.12 ? 413 SER A N 1 ATOM 3117 C CA . SER A 1 413 ? -28.757 32.447 1.037 1.00 15.13 ? 413 SER A CA 1 ATOM 3118 C C . SER A 1 413 ? -29.394 31.072 1.037 1.00 17.18 ? 413 SER A C 1 ATOM 3119 O O . SER A 1 413 ? -28.734 30.092 1.421 1.00 19.27 ? 413 SER A O 1 ATOM 3120 C CB . SER A 1 413 ? -28.953 33.042 2.422 1.00 18.10 ? 413 SER A CB 1 ATOM 3121 O OG . SER A 1 413 ? -28.329 34.311 2.558 1.00 23.10 ? 413 SER A OG 1 ATOM 3122 O OXT . SER A 1 413 ? -30.565 30.933 0.670 1.00 23.03 ? 413 SER A OXT 1 HETATM 3123 C C1 . NAG B 2 . ? 11.964 60.103 -2.299 1.00 16.42 ? 601 NAG A C1 1 HETATM 3124 C C2 . NAG B 2 . ? 12.710 61.221 -1.557 1.00 21.72 ? 601 NAG A C2 1 HETATM 3125 C C3 . NAG B 2 . ? 14.003 60.619 -1.087 1.00 28.29 ? 601 NAG A C3 1 HETATM 3126 C C4 . NAG B 2 . ? 13.753 59.333 -0.343 1.00 30.01 ? 601 NAG A C4 1 HETATM 3127 C C5 . NAG B 2 . ? 12.977 58.319 -1.181 1.00 25.44 ? 601 NAG A C5 1 HETATM 3128 C C6 . NAG B 2 . ? 12.616 57.045 -0.415 1.00 34.16 ? 601 NAG A C6 1 HETATM 3129 C C7 . NAG B 2 . ? 12.232 63.540 -2.362 1.00 27.80 ? 601 NAG A C7 1 HETATM 3130 C C8 . NAG B 2 . ? 12.416 64.569 -3.444 1.00 43.21 ? 601 NAG A C8 1 HETATM 3131 N N2 . NAG B 2 . ? 12.865 62.353 -2.514 1.00 24.92 ? 601 NAG A N2 1 HETATM 3132 O O3 . NAG B 2 . ? 14.675 61.478 -0.197 1.00 35.07 ? 601 NAG A O3 1 HETATM 3133 O O4 . NAG B 2 . ? 15.031 58.809 -0.029 1.00 40.92 ? 601 NAG A O4 1 HETATM 3134 O O5 . NAG B 2 . ? 11.744 58.912 -1.588 1.00 19.47 ? 601 NAG A O5 1 HETATM 3135 O O6 . NAG B 2 . ? 12.128 57.455 0.852 1.00 35.74 ? 601 NAG A O6 1 HETATM 3136 O O7 . NAG B 2 . ? 11.528 63.838 -1.389 1.00 35.88 ? 601 NAG A O7 1 HETATM 3137 C C1 . NAG C 2 . ? -15.413 79.759 -10.818 1.00 25.02 ? 701 NAG A C1 1 HETATM 3138 C C2 . NAG C 2 . ? -15.756 81.239 -10.772 1.00 22.80 ? 701 NAG A C2 1 HETATM 3139 C C3 . NAG C 2 . ? -14.898 82.004 -11.790 1.00 26.55 ? 701 NAG A C3 1 HETATM 3140 C C4 . NAG C 2 . ? -13.422 81.608 -11.707 1.00 29.69 ? 701 NAG A C4 1 HETATM 3141 C C5 . NAG C 2 . ? -13.313 80.079 -11.736 1.00 29.19 ? 701 NAG A C5 1 HETATM 3142 C C6 . NAG C 2 . ? -11.889 79.547 -11.643 1.00 33.63 ? 701 NAG A C6 1 HETATM 3143 C C7 . NAG C 2 . ? -18.150 81.825 -10.215 1.00 25.06 ? 701 NAG A C7 1 HETATM 3144 C C8 . NAG C 2 . ? -17.688 82.091 -8.832 1.00 26.70 ? 701 NAG A C8 1 HETATM 3145 N N2 . NAG C 2 . ? -17.193 81.406 -11.052 1.00 23.44 ? 701 NAG A N2 1 HETATM 3146 O O3 . NAG C 2 . ? -14.987 83.382 -11.561 1.00 31.01 ? 701 NAG A O3 1 HETATM 3147 O O4 . NAG C 2 . ? -12.673 82.211 -12.743 1.00 35.96 ? 701 NAG A O4 1 HETATM 3148 O O5 . NAG C 2 . ? -14.029 79.564 -10.627 1.00 27.35 ? 701 NAG A O5 1 HETATM 3149 O O6 . NAG C 2 . ? -11.398 79.864 -10.360 1.00 34.65 ? 701 NAG A O6 1 HETATM 3150 O O7 . NAG C 2 . ? -19.344 81.938 -10.569 1.00 37.22 ? 701 NAG A O7 1 HETATM 3151 C C1 . NAG D 2 . ? -32.263 34.683 -9.498 1.00 22.71 ? 801 NAG A C1 1 HETATM 3152 C C2 . NAG D 2 . ? -33.542 35.361 -10.022 1.00 24.64 ? 801 NAG A C2 1 HETATM 3153 C C3 . NAG D 2 . ? -34.639 34.306 -10.002 1.00 29.07 ? 801 NAG A C3 1 HETATM 3154 C C4 . NAG D 2 . ? -34.194 33.093 -10.832 1.00 30.91 ? 801 NAG A C4 1 HETATM 3155 C C5 . NAG D 2 . ? -32.835 32.568 -10.364 1.00 27.22 ? 801 NAG A C5 1 HETATM 3156 C C6 . NAG D 2 . ? -32.323 31.473 -11.297 1.00 35.24 ? 801 NAG A C6 1 HETATM 3157 C C7 . NAG D 2 . ? -33.869 37.781 -9.633 1.00 28.89 ? 801 NAG A C7 1 HETATM 3158 C C8 . NAG D 2 . ? -34.266 38.832 -8.626 1.00 32.19 ? 801 NAG A C8 1 HETATM 3159 N N2 . NAG D 2 . ? -33.883 36.514 -9.193 1.00 26.93 ? 801 NAG A N2 1 HETATM 3160 O O3 . NAG D 2 . ? -35.881 34.783 -10.499 1.00 34.02 ? 801 NAG A O3 1 HETATM 3161 O O4 . NAG D 2 . ? -35.169 32.068 -10.716 1.00 38.44 ? 801 NAG A O4 1 HETATM 3162 O O5 . NAG D 2 . ? -31.884 33.600 -10.359 1.00 27.14 ? 801 NAG A O5 1 HETATM 3163 O O6 . NAG D 2 . ? -32.419 31.896 -12.646 1.00 35.55 ? 801 NAG A O6 1 HETATM 3164 O O7 . NAG D 2 . ? -33.590 38.095 -10.789 1.00 34.01 ? 801 NAG A O7 1 HETATM 3165 C C1 . NAG E 2 . ? -0.260 17.573 26.512 1.00 19.15 ? 501 NAG A C1 1 HETATM 3166 C C2 . NAG E 2 . ? -1.591 17.620 27.266 1.00 18.71 ? 501 NAG A C2 1 HETATM 3167 C C3 . NAG E 2 . ? -1.379 18.055 28.725 1.00 18.22 ? 501 NAG A C3 1 HETATM 3168 C C4 . NAG E 2 . ? -0.238 17.267 29.326 1.00 21.39 ? 501 NAG A C4 1 HETATM 3169 C C5 . NAG E 2 . ? 1.032 17.346 28.457 1.00 22.17 ? 501 NAG A C5 1 HETATM 3170 C C6 . NAG E 2 . ? 2.197 16.590 29.079 1.00 25.87 ? 501 NAG A C6 1 HETATM 3171 C C7 . NAG E 2 . ? -3.562 18.070 25.733 1.00 15.96 ? 501 NAG A C7 1 HETATM 3172 C C8 . NAG E 2 . ? -3.649 16.614 25.592 1.00 18.16 ? 501 NAG A C8 1 HETATM 3173 N N2 . NAG E 2 . ? -2.536 18.471 26.540 1.00 16.86 ? 501 NAG A N2 1 HETATM 3174 O O3 . NAG E 2 . ? -2.597 17.831 29.413 1.00 20.72 ? 501 NAG A O3 1 HETATM 3175 O O4 . NAG E 2 . ? -0.040 17.800 30.621 1.00 19.84 ? 501 NAG A O4 1 HETATM 3176 O O5 . NAG E 2 . ? 0.740 16.829 27.145 1.00 22.06 ? 501 NAG A O5 1 HETATM 3177 O O6 . NAG E 2 . ? 1.885 15.208 29.050 1.00 32.08 ? 501 NAG A O6 1 HETATM 3178 O O7 . NAG E 2 . ? -4.324 18.818 25.006 1.00 23.59 ? 501 NAG A O7 1 HETATM 3179 O O . HOH F 3 . ? -21.515 61.656 8.282 1.00 35.88 ? 414 HOH A O 1 HETATM 3180 O O . HOH F 3 . ? -31.481 28.998 -1.020 1.00 24.14 ? 415 HOH A O 1 HETATM 3181 O O . HOH F 3 . ? -1.294 35.767 9.722 1.00 11.47 ? 416 HOH A O 1 HETATM 3182 O O . HOH F 3 . ? -23.932 25.705 -12.100 1.00 38.29 ? 417 HOH A O 1 HETATM 3183 O O . HOH F 3 . ? -31.244 31.353 -7.459 1.00 36.51 ? 418 HOH A O 1 HETATM 3184 O O . HOH F 3 . ? -11.293 72.767 -14.757 1.00 33.12 ? 419 HOH A O 1 HETATM 3185 O O . HOH F 3 . ? 0.475 34.672 -9.529 1.00 27.63 ? 420 HOH A O 1 HETATM 3186 O O . HOH F 3 . ? -17.445 28.019 24.817 1.00 20.71 ? 421 HOH A O 1 HETATM 3187 O O . HOH F 3 . ? -6.352 31.405 -13.922 1.00 29.44 ? 422 HOH A O 1 HETATM 3188 O O . HOH F 3 . ? 5.675 70.203 -2.662 1.00 33.11 ? 423 HOH A O 1 HETATM 3189 O O . HOH F 3 . ? -27.876 20.847 1.992 1.00 31.22 ? 424 HOH A O 1 HETATM 3190 O O . HOH F 3 . ? -23.002 55.345 2.483 1.00 37.51 ? 425 HOH A O 1 HETATM 3191 O O . HOH F 3 . ? -24.872 41.331 -5.022 1.00 17.94 ? 426 HOH A O 1 HETATM 3192 O O . HOH F 3 . ? -0.023 45.789 -20.813 1.00 24.50 ? 427 HOH A O 1 HETATM 3193 O O . HOH F 3 . ? -6.684 69.399 7.142 1.00 24.00 ? 428 HOH A O 1 HETATM 3194 O O . HOH F 3 . ? -8.956 34.904 24.503 1.00 10.11 ? 429 HOH A O 1 HETATM 3195 O O . HOH F 3 . ? 8.047 55.996 3.066 1.00 24.84 ? 430 HOH A O 1 HETATM 3196 O O . HOH F 3 . ? 2.054 39.074 -15.028 1.00 23.69 ? 431 HOH A O 1 HETATM 3197 O O . HOH F 3 . ? -12.842 14.415 13.964 1.00 22.69 ? 432 HOH A O 1 HETATM 3198 O O . HOH F 3 . ? -29.583 41.573 -6.024 1.00 26.27 ? 433 HOH A O 1 HETATM 3199 O O . HOH F 3 . ? -26.445 51.278 3.097 1.00 22.92 ? 434 HOH A O 1 HETATM 3200 O O . HOH F 3 . ? -11.894 18.072 19.093 1.00 27.85 ? 435 HOH A O 1 HETATM 3201 O O . HOH F 3 . ? -12.137 25.865 -13.849 1.00 21.05 ? 436 HOH A O 1 HETATM 3202 O O . HOH F 3 . ? -5.394 31.533 24.621 1.00 20.54 ? 437 HOH A O 1 HETATM 3203 O O . HOH F 3 . ? 3.570 47.942 -6.168 1.00 7.55 ? 438 HOH A O 1 HETATM 3204 O O . HOH F 3 . ? -19.072 45.777 -20.519 1.00 33.28 ? 439 HOH A O 1 HETATM 3205 O O . HOH F 3 . ? -19.687 58.219 -1.509 1.00 27.05 ? 440 HOH A O 1 HETATM 3206 O O . HOH F 3 . ? -22.409 46.898 15.340 1.00 27.76 ? 441 HOH A O 1 HETATM 3207 O O . HOH F 3 . ? -5.597 48.470 18.647 1.00 36.32 ? 442 HOH A O 1 HETATM 3208 O O . HOH F 3 . ? 6.381 35.288 14.849 1.00 34.68 ? 443 HOH A O 1 HETATM 3209 O O . HOH F 3 . ? 8.122 19.979 13.446 1.00 24.03 ? 444 HOH A O 1 HETATM 3210 O O . HOH F 3 . ? -4.014 71.153 5.035 1.00 29.33 ? 445 HOH A O 1 HETATM 3211 O O . HOH F 3 . ? -28.625 44.091 6.808 1.00 30.92 ? 446 HOH A O 1 HETATM 3212 O O . HOH F 3 . ? -19.893 55.984 -2.828 1.00 17.97 ? 447 HOH A O 1 HETATM 3213 O O . HOH F 3 . ? -28.291 25.593 2.386 1.00 28.52 ? 448 HOH A O 1 HETATM 3214 O O . HOH F 3 . ? 7.347 30.492 15.696 1.00 32.01 ? 449 HOH A O 1 HETATM 3215 O O . HOH F 3 . ? -24.836 72.191 -7.628 1.00 31.83 ? 450 HOH A O 1 HETATM 3216 O O . HOH F 3 . ? -25.926 51.361 -1.585 1.00 26.80 ? 451 HOH A O 1 HETATM 3217 O O . HOH F 3 . ? 4.558 73.258 0.618 1.00 33.33 ? 452 HOH A O 1 HETATM 3218 O O . HOH F 3 . ? 9.741 22.292 10.768 1.00 26.35 ? 453 HOH A O 1 HETATM 3219 O O . HOH F 3 . ? 10.346 16.472 19.083 1.00 32.23 ? 454 HOH A O 1 HETATM 3220 O O . HOH F 3 . ? -13.835 22.095 26.321 1.00 28.87 ? 455 HOH A O 1 HETATM 3221 O O . HOH F 3 . ? 5.103 18.978 2.088 1.00 26.14 ? 456 HOH A O 1 HETATM 3222 O O . HOH F 3 . ? -30.573 30.633 4.921 1.00 35.87 ? 457 HOH A O 1 HETATM 3223 O O . HOH F 3 . ? 8.257 15.404 18.421 1.00 36.20 ? 458 HOH A O 1 HETATM 3224 O O . HOH F 3 . ? -7.134 32.763 -16.236 1.00 23.77 ? 459 HOH A O 1 HETATM 3225 O O . HOH F 3 . ? 5.794 30.000 6.301 1.00 20.92 ? 460 HOH A O 1 HETATM 3226 O O . HOH F 3 . ? -8.751 49.996 -19.900 1.00 32.23 ? 461 HOH A O 1 HETATM 3227 O O . HOH F 3 . ? -27.820 49.179 7.527 1.00 35.21 ? 462 HOH A O 1 HETATM 3228 O O . HOH F 3 . ? -5.104 37.827 21.009 1.00 21.62 ? 463 HOH A O 1 HETATM 3229 O O . HOH F 3 . ? -25.164 52.763 7.059 1.00 38.73 ? 464 HOH A O 1 HETATM 3230 O O . HOH F 3 . ? -23.597 33.789 12.460 1.00 29.03 ? 465 HOH A O 1 HETATM 3231 O O . HOH F 3 . ? 12.441 59.070 -6.934 1.00 21.25 ? 466 HOH A O 1 HETATM 3232 O O . HOH F 3 . ? -11.181 48.116 21.852 1.00 25.26 ? 467 HOH A O 1 HETATM 3233 O O . HOH F 3 . ? -17.267 31.981 18.887 1.00 12.54 ? 468 HOH A O 1 HETATM 3234 O O . HOH F 3 . ? -11.262 70.682 10.887 1.00 31.22 ? 469 HOH A O 1 HETATM 3235 O O . HOH F 3 . ? -28.097 49.817 0.017 1.00 29.26 ? 470 HOH A O 1 HETATM 3236 O O . HOH F 3 . ? -11.087 15.234 2.374 1.00 27.79 ? 471 HOH A O 1 HETATM 3237 O O . HOH F 3 . ? -9.210 20.028 -0.443 1.00 23.10 ? 472 HOH A O 1 HETATM 3238 O O . HOH F 3 . ? -21.764 36.647 -23.617 1.00 28.47 ? 473 HOH A O 1 HETATM 3239 O O . HOH F 3 . ? -24.997 36.244 5.348 1.00 19.70 ? 474 HOH A O 1 HETATM 3240 O O . HOH F 3 . ? -18.138 64.672 -13.749 1.00 23.91 ? 475 HOH A O 1 HETATM 3241 O O . HOH F 3 . ? 3.142 67.333 -6.865 1.00 19.98 ? 476 HOH A O 1 HETATM 3242 O O . HOH F 3 . ? 3.908 39.913 -12.681 1.00 16.65 ? 477 HOH A O 1 HETATM 3243 O O . HOH F 3 . ? -5.788 35.472 7.866 1.00 7.96 ? 478 HOH A O 1 HETATM 3244 O O . HOH F 3 . ? -7.385 28.697 5.551 1.00 7.04 ? 479 HOH A O 1 HETATM 3245 O O . HOH F 3 . ? 11.568 29.467 12.975 1.00 31.87 ? 480 HOH A O 1 HETATM 3246 O O . HOH F 3 . ? -24.056 18.115 -7.802 1.00 17.56 ? 481 HOH A O 1 HETATM 3247 O O . HOH F 3 . ? -28.468 51.243 -10.539 1.00 36.10 ? 482 HOH A O 1 HETATM 3248 O O . HOH F 3 . ? 2.209 43.444 15.957 1.00 33.59 ? 483 HOH A O 1 HETATM 3249 O O . HOH F 3 . ? 3.859 47.708 8.388 1.00 24.51 ? 484 HOH A O 1 HETATM 3250 O O . HOH F 3 . ? -6.706 43.332 3.226 1.00 6.56 ? 485 HOH A O 1 HETATM 3251 O O . HOH F 3 . ? -15.080 53.018 3.878 1.00 13.32 ? 486 HOH A O 1 HETATM 3252 O O . HOH F 3 . ? 0.195 26.502 -5.350 1.00 27.70 ? 487 HOH A O 1 HETATM 3253 O O . HOH F 3 . ? 12.583 45.458 5.383 1.00 33.25 ? 488 HOH A O 1 HETATM 3254 O O . HOH F 3 . ? -14.509 45.247 -4.952 1.00 6.67 ? 489 HOH A O 1 HETATM 3255 O O . HOH F 3 . ? 7.475 41.719 11.994 1.00 37.46 ? 490 HOH A O 1 HETATM 3256 O O . HOH F 3 . ? -6.051 67.006 8.559 1.00 27.44 ? 491 HOH A O 1 HETATM 3257 O O . HOH F 3 . ? 3.533 40.199 -2.500 1.00 7.51 ? 492 HOH A O 1 HETATM 3258 O O . HOH F 3 . ? -11.480 53.492 -7.260 1.00 9.82 ? 493 HOH A O 1 HETATM 3259 O O . HOH F 3 . ? -25.886 53.009 -7.606 1.00 27.72 ? 494 HOH A O 1 HETATM 3260 O O . HOH F 3 . ? 1.133 32.357 -7.041 1.00 28.87 ? 495 HOH A O 1 HETATM 3261 O O . HOH F 3 . ? 4.386 62.451 8.077 1.00 23.02 ? 496 HOH A O 1 HETATM 3262 O O . HOH F 3 . ? 3.491 45.036 -18.421 1.00 33.68 ? 497 HOH A O 1 HETATM 3263 O O . HOH F 3 . ? -26.515 34.145 8.649 1.00 34.66 ? 498 HOH A O 1 HETATM 3264 O O . HOH F 3 . ? -26.833 67.758 -9.679 1.00 33.26 ? 499 HOH A O 1 HETATM 3265 O O . HOH F 3 . ? -10.219 63.605 -16.647 1.00 33.20 ? 500 HOH A O 1 HETATM 3266 O O . HOH F 3 . ? -8.111 53.758 5.864 1.00 8.13 ? 502 HOH A O 1 HETATM 3267 O O . HOH F 3 . ? -4.275 66.233 6.468 1.00 27.70 ? 503 HOH A O 1 HETATM 3268 O O . HOH F 3 . ? -22.135 57.754 -6.250 1.00 18.97 ? 504 HOH A O 1 HETATM 3269 O O . HOH F 3 . ? -13.770 44.548 20.589 1.00 13.24 ? 505 HOH A O 1 HETATM 3270 O O . HOH F 3 . ? -6.840 37.909 8.522 1.00 10.76 ? 506 HOH A O 1 HETATM 3271 O O . HOH F 3 . ? -6.755 63.575 10.427 1.00 28.45 ? 507 HOH A O 1 HETATM 3272 O O . HOH F 3 . ? -20.539 29.624 -16.204 1.00 27.68 ? 508 HOH A O 1 HETATM 3273 O O . HOH F 3 . ? -16.286 59.114 -17.170 1.00 33.72 ? 509 HOH A O 1 HETATM 3274 O O . HOH F 3 . ? -24.358 72.753 -0.229 1.00 28.29 ? 510 HOH A O 1 HETATM 3275 O O . HOH F 3 . ? -21.454 39.370 -23.826 1.00 29.89 ? 511 HOH A O 1 HETATM 3276 O O . HOH F 3 . ? 12.702 39.108 4.856 1.00 20.94 ? 512 HOH A O 1 HETATM 3277 O O . HOH F 3 . ? 12.706 62.754 1.943 1.00 37.42 ? 513 HOH A O 1 HETATM 3278 O O . HOH F 3 . ? -13.296 46.307 -21.857 1.00 22.43 ? 514 HOH A O 1 HETATM 3279 O O . HOH F 3 . ? -3.356 42.474 -0.487 1.00 6.54 ? 515 HOH A O 1 HETATM 3280 O O . HOH F 3 . ? -16.653 19.493 19.618 1.00 9.12 ? 516 HOH A O 1 HETATM 3281 O O . HOH F 3 . ? -11.713 48.433 -16.744 1.00 9.80 ? 517 HOH A O 1 HETATM 3282 O O . HOH F 3 . ? -32.175 39.291 -14.976 1.00 35.90 ? 518 HOH A O 1 HETATM 3283 O O . HOH F 3 . ? 2.537 26.056 10.205 1.00 8.65 ? 519 HOH A O 1 HETATM 3284 O O . HOH F 3 . ? -12.266 13.548 4.121 1.00 27.19 ? 520 HOH A O 1 HETATM 3285 O O . HOH F 3 . ? -5.118 32.072 -2.232 1.00 18.26 ? 521 HOH A O 1 HETATM 3286 O O . HOH F 3 . ? 0.727 53.877 -23.571 1.00 29.65 ? 522 HOH A O 1 HETATM 3287 O O . HOH F 3 . ? -20.029 25.284 16.841 1.00 6.71 ? 523 HOH A O 1 HETATM 3288 O O . HOH F 3 . ? -22.897 40.593 7.796 1.00 21.18 ? 524 HOH A O 1 HETATM 3289 O O . HOH F 3 . ? -24.030 54.180 -4.053 1.00 24.91 ? 525 HOH A O 1 HETATM 3290 O O . HOH F 3 . ? 5.609 62.011 -3.550 1.00 11.10 ? 526 HOH A O 1 HETATM 3291 O O . HOH F 3 . ? -25.215 36.157 -18.286 1.00 34.04 ? 527 HOH A O 1 HETATM 3292 O O . HOH F 3 . ? -3.965 60.429 9.083 1.00 20.79 ? 528 HOH A O 1 HETATM 3293 O O . HOH F 3 . ? -10.657 30.783 -5.994 1.00 7.92 ? 529 HOH A O 1 HETATM 3294 O O . HOH F 3 . ? -9.541 52.369 -17.065 1.00 18.34 ? 530 HOH A O 1 HETATM 3295 O O . HOH F 3 . ? -18.391 53.461 -7.815 1.00 8.12 ? 531 HOH A O 1 HETATM 3296 O O . HOH F 3 . ? -17.863 75.717 -13.492 1.00 32.49 ? 532 HOH A O 1 HETATM 3297 O O . HOH F 3 . ? 4.201 37.199 4.381 1.00 8.24 ? 533 HOH A O 1 HETATM 3298 O O . HOH F 3 . ? -6.843 13.672 11.134 1.00 32.13 ? 534 HOH A O 1 HETATM 3299 O O . HOH F 3 . ? -8.539 63.591 2.500 1.00 10.92 ? 535 HOH A O 1 HETATM 3300 O O . HOH F 3 . ? 1.814 52.122 9.238 1.00 32.86 ? 536 HOH A O 1 HETATM 3301 O O . HOH F 3 . ? -20.631 34.390 13.172 1.00 9.73 ? 537 HOH A O 1 HETATM 3302 O O . HOH F 3 . ? -7.222 54.236 -20.413 1.00 35.58 ? 538 HOH A O 1 HETATM 3303 O O . HOH F 3 . ? -6.246 25.164 32.353 1.00 22.57 ? 539 HOH A O 1 HETATM 3304 O O . HOH F 3 . ? 3.957 56.080 8.874 1.00 21.74 ? 540 HOH A O 1 HETATM 3305 O O . HOH F 3 . ? 2.597 20.112 -2.640 1.00 27.05 ? 541 HOH A O 1 HETATM 3306 O O . HOH F 3 . ? 13.842 41.241 5.877 1.00 31.51 ? 542 HOH A O 1 HETATM 3307 O O . HOH F 3 . ? 0.902 46.108 -12.249 1.00 7.27 ? 543 HOH A O 1 HETATM 3308 O O . HOH F 3 . ? -10.479 14.686 15.421 1.00 23.78 ? 544 HOH A O 1 HETATM 3309 O O . HOH F 3 . ? 7.220 62.000 3.850 1.00 29.24 ? 545 HOH A O 1 HETATM 3310 O O . HOH F 3 . ? 6.818 64.418 3.848 1.00 32.28 ? 546 HOH A O 1 HETATM 3311 O O . HOH F 3 . ? -21.368 23.183 15.431 1.00 7.44 ? 547 HOH A O 1 HETATM 3312 O O . HOH F 3 . ? -8.199 49.110 16.045 1.00 31.84 ? 548 HOH A O 1 HETATM 3313 O O . HOH F 3 . ? -0.168 70.102 -16.546 1.00 35.40 ? 549 HOH A O 1 HETATM 3314 O O . HOH F 3 . ? -23.474 58.927 0.622 1.00 34.99 ? 550 HOH A O 1 HETATM 3315 O O . HOH F 3 . ? 5.967 25.043 4.005 1.00 9.92 ? 551 HOH A O 1 HETATM 3316 O O . HOH F 3 . ? -13.613 52.257 11.046 1.00 25.94 ? 552 HOH A O 1 HETATM 3317 O O . HOH F 3 . ? -15.048 55.207 -9.877 1.00 9.28 ? 553 HOH A O 1 HETATM 3318 O O . HOH F 3 . ? 3.303 46.582 -13.611 1.00 12.96 ? 554 HOH A O 1 HETATM 3319 O O . HOH F 3 . ? -12.923 44.068 5.768 1.00 5.91 ? 555 HOH A O 1 HETATM 3320 O O . HOH F 3 . ? -19.872 44.616 0.471 1.00 7.54 ? 556 HOH A O 1 HETATM 3321 O O . HOH F 3 . ? -2.554 22.217 -5.312 1.00 29.51 ? 557 HOH A O 1 HETATM 3322 O O . HOH F 3 . ? 8.699 12.218 12.281 1.00 36.71 ? 558 HOH A O 1 HETATM 3323 O O . HOH F 3 . ? -4.510 63.168 8.696 1.00 28.14 ? 559 HOH A O 1 HETATM 3324 O O . HOH F 3 . ? -4.910 23.410 32.643 1.00 32.83 ? 560 HOH A O 1 HETATM 3325 O O . HOH F 3 . ? -13.448 34.509 -10.116 1.00 7.41 ? 561 HOH A O 1 HETATM 3326 O O . HOH F 3 . ? -22.796 54.895 10.041 1.00 35.64 ? 562 HOH A O 1 HETATM 3327 O O . HOH F 3 . ? 0.444 13.350 17.791 1.00 29.48 ? 563 HOH A O 1 HETATM 3328 O O . HOH F 3 . ? -12.867 53.076 -9.547 1.00 10.93 ? 564 HOH A O 1 HETATM 3329 O O . HOH F 3 . ? -5.545 27.457 19.002 1.00 8.85 ? 565 HOH A O 1 HETATM 3330 O O . HOH F 3 . ? -26.769 32.488 6.593 1.00 38.05 ? 566 HOH A O 1 HETATM 3331 O O . HOH F 3 . ? -21.526 26.123 -13.645 1.00 35.06 ? 567 HOH A O 1 HETATM 3332 O O . HOH F 3 . ? -7.528 29.494 25.846 1.00 33.58 ? 568 HOH A O 1 HETATM 3333 O O . HOH F 3 . ? 16.484 37.641 4.455 1.00 33.11 ? 569 HOH A O 1 HETATM 3334 O O . HOH F 3 . ? -14.774 47.650 18.717 1.00 29.68 ? 570 HOH A O 1 HETATM 3335 O O . HOH F 3 . ? -9.212 57.439 -17.446 1.00 26.69 ? 571 HOH A O 1 HETATM 3336 O O . HOH F 3 . ? -19.972 53.312 -5.619 1.00 10.59 ? 572 HOH A O 1 HETATM 3337 O O . HOH F 3 . ? 2.521 61.051 -11.101 1.00 11.13 ? 573 HOH A O 1 HETATM 3338 O O . HOH F 3 . ? 0.194 73.983 0.925 1.00 38.92 ? 574 HOH A O 1 HETATM 3339 O O . HOH F 3 . ? -16.866 46.416 -22.030 1.00 28.72 ? 575 HOH A O 1 HETATM 3340 O O . HOH F 3 . ? -29.874 33.425 -6.373 1.00 18.57 ? 576 HOH A O 1 HETATM 3341 O O . HOH F 3 . ? -20.900 76.919 1.443 1.00 30.19 ? 577 HOH A O 1 HETATM 3342 O O . HOH F 3 . ? 1.821 47.376 4.075 1.00 10.62 ? 578 HOH A O 1 HETATM 3343 O O . HOH F 3 . ? -10.777 51.770 -13.190 1.00 11.87 ? 579 HOH A O 1 HETATM 3344 O O . HOH F 3 . ? 1.477 62.863 8.816 1.00 29.53 ? 580 HOH A O 1 HETATM 3345 O O . HOH F 3 . ? -14.120 28.367 -18.156 1.00 27.72 ? 581 HOH A O 1 HETATM 3346 O O . HOH F 3 . ? -25.710 55.718 -8.198 1.00 28.43 ? 582 HOH A O 1 HETATM 3347 O O . HOH F 3 . ? -20.868 18.030 17.159 1.00 8.70 ? 583 HOH A O 1 HETATM 3348 O O . HOH F 3 . ? -21.805 15.807 15.878 1.00 20.26 ? 584 HOH A O 1 HETATM 3349 O O . HOH F 3 . ? -14.293 54.039 -12.275 1.00 11.37 ? 585 HOH A O 1 HETATM 3350 O O . HOH F 3 . ? -11.020 73.539 -3.503 1.00 9.88 ? 586 HOH A O 1 HETATM 3351 O O . HOH F 3 . ? -1.029 49.015 5.294 1.00 26.54 ? 587 HOH A O 1 HETATM 3352 O O . HOH F 3 . ? -4.125 44.298 3.725 1.00 9.17 ? 588 HOH A O 1 HETATM 3353 O O . HOH F 3 . ? 0.073 47.436 7.134 1.00 29.18 ? 589 HOH A O 1 HETATM 3354 O O . HOH F 3 . ? -12.385 48.146 5.880 1.00 8.43 ? 590 HOH A O 1 HETATM 3355 O O . HOH F 3 . ? -23.482 48.168 -4.348 1.00 9.65 ? 591 HOH A O 1 HETATM 3356 O O . HOH F 3 . ? -25.925 20.406 -2.622 1.00 24.99 ? 592 HOH A O 1 HETATM 3357 O O . HOH F 3 . ? 12.605 53.477 -8.426 1.00 25.69 ? 593 HOH A O 1 HETATM 3358 O O . HOH F 3 . ? -4.371 22.072 -7.153 1.00 28.62 ? 594 HOH A O 1 HETATM 3359 O O . HOH F 3 . ? -6.453 41.828 23.344 1.00 22.79 ? 595 HOH A O 1 HETATM 3360 O O . HOH F 3 . ? -19.565 47.159 -16.149 1.00 22.84 ? 596 HOH A O 1 HETATM 3361 O O . HOH F 3 . ? -8.332 50.294 13.796 1.00 35.53 ? 597 HOH A O 1 HETATM 3362 O O . HOH F 3 . ? 1.502 44.557 9.348 1.00 25.16 ? 598 HOH A O 1 HETATM 3363 O O . HOH F 3 . ? -24.753 18.246 5.816 1.00 35.82 ? 599 HOH A O 1 HETATM 3364 O O . HOH F 3 . ? -6.399 52.503 7.575 1.00 12.13 ? 600 HOH A O 1 HETATM 3365 O O . HOH F 3 . ? -19.417 55.668 6.916 1.00 26.26 ? 602 HOH A O 1 HETATM 3366 O O . HOH F 3 . ? -23.494 58.578 -2.024 1.00 31.57 ? 603 HOH A O 1 HETATM 3367 O O . HOH F 3 . ? -11.616 22.041 27.715 1.00 39.99 ? 604 HOH A O 1 HETATM 3368 O O . HOH F 3 . ? 5.290 61.694 -11.151 1.00 11.03 ? 605 HOH A O 1 HETATM 3369 O O . HOH F 3 . ? -19.467 40.072 -26.075 1.00 23.41 ? 606 HOH A O 1 HETATM 3370 O O . HOH F 3 . ? -8.095 13.630 14.373 1.00 34.33 ? 607 HOH A O 1 HETATM 3371 O O . HOH F 3 . ? 0.558 19.827 26.732 1.00 28.44 ? 608 HOH A O 1 HETATM 3372 O O . HOH F 3 . ? 1.329 68.104 -14.850 1.00 24.45 ? 609 HOH A O 1 HETATM 3373 O O . HOH F 3 . ? -20.848 22.073 -11.403 1.00 33.57 ? 610 HOH A O 1 HETATM 3374 O O . HOH F 3 . ? -22.157 38.621 5.578 1.00 15.29 ? 611 HOH A O 1 HETATM 3375 O O . HOH F 3 . ? -32.834 32.297 1.523 1.00 33.32 ? 612 HOH A O 1 HETATM 3376 O O . HOH F 3 . ? -15.606 50.881 -17.007 1.00 27.87 ? 613 HOH A O 1 HETATM 3377 O O . HOH F 3 . ? -17.697 29.524 -15.452 1.00 25.93 ? 614 HOH A O 1 HETATM 3378 O O . HOH F 3 . ? 5.278 47.518 0.536 1.00 8.19 ? 615 HOH A O 1 HETATM 3379 O O . HOH F 3 . ? 2.461 39.510 3.854 1.00 8.48 ? 616 HOH A O 1 HETATM 3380 O O . HOH F 3 . ? -22.521 45.440 1.246 1.00 9.35 ? 617 HOH A O 1 HETATM 3381 O O . HOH F 3 . ? -8.233 61.477 -17.404 1.00 36.55 ? 618 HOH A O 1 HETATM 3382 O O . HOH F 3 . ? -5.753 27.901 27.812 1.00 36.29 ? 619 HOH A O 1 HETATM 3383 O O . HOH F 3 . ? -8.264 28.429 19.514 1.00 9.28 ? 620 HOH A O 1 HETATM 3384 O O . HOH F 3 . ? 10.059 38.940 5.036 1.00 16.36 ? 621 HOH A O 1 HETATM 3385 O O . HOH F 3 . ? 7.494 44.754 3.102 1.00 12.26 ? 622 HOH A O 1 HETATM 3386 O O . HOH F 3 . ? -9.297 41.928 23.494 1.00 9.52 ? 623 HOH A O 1 HETATM 3387 O O . HOH F 3 . ? -21.397 19.526 8.503 1.00 13.54 ? 624 HOH A O 1 HETATM 3388 O O . HOH F 3 . ? -12.763 61.412 -8.615 1.00 10.72 ? 625 HOH A O 1 HETATM 3389 O O . HOH F 3 . ? -27.403 27.677 0.421 1.00 27.84 ? 626 HOH A O 1 HETATM 3390 O O . HOH F 3 . ? 3.883 33.796 10.682 1.00 14.40 ? 627 HOH A O 1 HETATM 3391 O O . HOH F 3 . ? -6.864 77.667 -6.428 1.00 33.96 ? 628 HOH A O 1 HETATM 3392 O O . HOH F 3 . ? -12.551 32.454 25.155 1.00 9.27 ? 629 HOH A O 1 HETATM 3393 O O . HOH F 3 . ? -26.615 38.117 -10.931 1.00 11.38 ? 630 HOH A O 1 HETATM 3394 O O . HOH F 3 . ? -31.165 29.726 -5.028 1.00 28.13 ? 631 HOH A O 1 HETATM 3395 O O . HOH F 3 . ? -3.660 67.458 -19.527 1.00 33.21 ? 632 HOH A O 1 HETATM 3396 O O . HOH F 3 . ? 7.358 31.442 7.228 1.00 21.00 ? 633 HOH A O 1 HETATM 3397 O O . HOH F 3 . ? -20.157 30.974 25.547 1.00 31.55 ? 634 HOH A O 1 HETATM 3398 O O . HOH F 3 . ? -6.238 44.541 -20.269 1.00 16.38 ? 635 HOH A O 1 HETATM 3399 O O . HOH F 3 . ? -31.018 37.671 -0.850 1.00 33.08 ? 636 HOH A O 1 HETATM 3400 O O . HOH F 3 . ? 1.939 59.149 -22.178 1.00 32.33 ? 637 HOH A O 1 HETATM 3401 O O . HOH F 3 . ? -10.962 13.837 -13.193 1.00 24.13 ? 638 HOH A O 1 HETATM 3402 O O . HOH F 3 . ? 3.282 16.543 23.077 1.00 30.84 ? 639 HOH A O 1 HETATM 3403 O O . HOH F 3 . ? -7.159 62.355 -14.206 1.00 11.87 ? 640 HOH A O 1 HETATM 3404 O O . HOH F 3 . ? 3.237 51.615 -7.165 1.00 10.87 ? 641 HOH A O 1 HETATM 3405 O O . HOH F 3 . ? -27.265 38.932 -19.194 1.00 35.85 ? 642 HOH A O 1 HETATM 3406 O O . HOH F 3 . ? -18.239 54.256 10.879 1.00 22.93 ? 643 HOH A O 1 HETATM 3407 O O . HOH F 3 . ? -10.282 70.386 4.002 1.00 10.43 ? 644 HOH A O 1 HETATM 3408 O O . HOH F 3 . ? -9.617 56.965 11.663 1.00 35.49 ? 645 HOH A O 1 HETATM 3409 O O . HOH F 3 . ? -24.191 51.870 -5.656 1.00 15.52 ? 646 HOH A O 1 HETATM 3410 O O . HOH F 3 . ? -22.403 48.199 12.454 1.00 16.93 ? 647 HOH A O 1 HETATM 3411 O O . HOH F 3 . ? 10.440 52.355 -2.221 1.00 18.80 ? 648 HOH A O 1 HETATM 3412 O O . HOH F 3 . ? -12.980 78.068 -6.425 1.00 27.99 ? 649 HOH A O 1 HETATM 3413 O O . HOH F 3 . ? -3.203 63.324 -19.675 1.00 28.07 ? 650 HOH A O 1 HETATM 3414 O O . HOH F 3 . ? -16.459 79.749 -6.935 1.00 31.02 ? 651 HOH A O 1 HETATM 3415 O O . HOH F 3 . ? -11.286 49.673 -11.175 1.00 11.51 ? 652 HOH A O 1 HETATM 3416 O O . HOH F 3 . ? 5.699 48.968 -7.739 1.00 12.76 ? 653 HOH A O 1 HETATM 3417 O O . HOH F 3 . ? -19.775 23.996 -13.704 1.00 34.38 ? 654 HOH A O 1 HETATM 3418 O O . HOH F 3 . ? -9.241 78.345 -9.469 1.00 31.01 ? 655 HOH A O 1 HETATM 3419 O O . HOH F 3 . ? 7.935 51.513 -10.144 1.00 24.55 ? 656 HOH A O 1 HETATM 3420 O O . HOH F 3 . ? 5.113 53.855 -18.797 1.00 27.72 ? 657 HOH A O 1 HETATM 3421 O O . HOH F 3 . ? -27.995 54.589 -13.926 1.00 37.03 ? 658 HOH A O 1 HETATM 3422 O O . HOH F 3 . ? -17.263 61.876 -10.940 1.00 14.10 ? 659 HOH A O 1 HETATM 3423 O O . HOH F 3 . ? -4.620 13.155 8.226 1.00 39.25 ? 660 HOH A O 1 HETATM 3424 O O . HOH F 3 . ? -8.091 35.978 -15.529 1.00 22.43 ? 661 HOH A O 1 HETATM 3425 O O . HOH F 3 . ? -22.150 30.679 -0.200 1.00 10.21 ? 662 HOH A O 1 HETATM 3426 O O . HOH F 3 . ? -5.408 27.750 -12.104 1.00 15.92 ? 663 HOH A O 1 HETATM 3427 O O . HOH F 3 . ? -16.368 30.428 16.630 1.00 9.63 ? 664 HOH A O 1 HETATM 3428 O O . HOH F 3 . ? 1.378 13.859 6.113 1.00 27.25 ? 665 HOH A O 1 HETATM 3429 O O . HOH F 3 . ? 4.687 66.134 -1.733 1.00 13.28 ? 666 HOH A O 1 HETATM 3430 O O . HOH F 3 . ? -25.407 20.089 10.021 1.00 15.81 ? 667 HOH A O 1 HETATM 3431 O O . HOH F 3 . ? -15.000 49.493 16.684 1.00 37.42 ? 668 HOH A O 1 HETATM 3432 O O . HOH F 3 . ? 5.219 33.056 8.337 1.00 17.26 ? 669 HOH A O 1 HETATM 3433 O O . HOH F 3 . ? -5.889 21.891 16.114 1.00 8.53 ? 670 HOH A O 1 HETATM 3434 O O . HOH F 3 . ? -23.067 43.248 -20.588 1.00 20.93 ? 671 HOH A O 1 HETATM 3435 O O . HOH F 3 . ? -21.619 39.849 11.666 1.00 21.61 ? 672 HOH A O 1 HETATM 3436 O O . HOH F 3 . ? 9.652 39.909 -5.653 1.00 26.03 ? 673 HOH A O 1 HETATM 3437 O O . HOH F 3 . ? 11.065 60.716 -8.350 1.00 14.89 ? 674 HOH A O 1 HETATM 3438 O O . HOH F 3 . ? -21.620 51.227 -2.963 1.00 10.78 ? 675 HOH A O 1 HETATM 3439 O O . HOH F 3 . ? -25.374 60.159 -8.528 1.00 31.64 ? 676 HOH A O 1 HETATM 3440 O O . HOH F 3 . ? -23.489 66.846 -3.637 1.00 22.43 ? 677 HOH A O 1 HETATM 3441 O O . HOH F 3 . ? 6.046 20.407 11.721 1.00 15.87 ? 678 HOH A O 1 HETATM 3442 O O . HOH F 3 . ? -18.779 19.357 -4.989 1.00 19.04 ? 679 HOH A O 1 HETATM 3443 O O . HOH F 3 . ? 12.725 51.137 -4.686 1.00 29.79 ? 680 HOH A O 1 HETATM 3444 O O . HOH F 3 . ? 8.370 51.464 -13.160 1.00 32.77 ? 681 HOH A O 1 HETATM 3445 O O . HOH F 3 . ? -11.268 18.008 2.002 1.00 12.55 ? 682 HOH A O 1 HETATM 3446 O O . HOH F 3 . ? 0.005 65.653 6.040 1.00 31.22 ? 683 HOH A O 1 HETATM 3447 O O . HOH F 3 . ? -2.133 67.124 6.612 1.00 34.50 ? 684 HOH A O 1 HETATM 3448 O O . HOH F 3 . ? -5.395 46.138 20.693 1.00 31.35 ? 685 HOH A O 1 HETATM 3449 O O . HOH F 3 . ? -11.643 51.044 -15.817 1.00 12.49 ? 686 HOH A O 1 HETATM 3450 O O . HOH F 3 . ? -14.118 18.392 -4.342 1.00 13.95 ? 687 HOH A O 1 HETATM 3451 O O . HOH F 3 . ? -5.283 21.195 0.707 1.00 39.34 ? 688 HOH A O 1 HETATM 3452 O O . HOH F 3 . ? -19.950 46.142 14.405 1.00 11.17 ? 689 HOH A O 1 HETATM 3453 O O . HOH F 3 . ? -5.607 34.063 -4.577 1.00 20.82 ? 690 HOH A O 1 HETATM 3454 O O . HOH F 3 . ? -2.252 64.548 8.004 1.00 30.22 ? 691 HOH A O 1 HETATM 3455 O O . HOH F 3 . ? -22.074 31.484 2.347 1.00 13.73 ? 692 HOH A O 1 HETATM 3456 O O . HOH F 3 . ? -17.690 38.457 -22.123 1.00 10.32 ? 693 HOH A O 1 HETATM 3457 O O . HOH F 3 . ? -19.213 73.160 -4.396 1.00 13.04 ? 694 HOH A O 1 HETATM 3458 O O . HOH F 3 . ? -3.932 67.973 -11.327 1.00 15.52 ? 695 HOH A O 1 HETATM 3459 O O . HOH F 3 . ? -26.188 43.406 9.013 1.00 36.62 ? 696 HOH A O 1 HETATM 3460 O O . HOH F 3 . ? -9.288 32.255 -16.990 1.00 26.93 ? 697 HOH A O 1 HETATM 3461 O O . HOH F 3 . ? -3.847 56.597 8.261 1.00 24.45 ? 698 HOH A O 1 HETATM 3462 O O . HOH F 3 . ? -2.863 58.168 -18.666 1.00 28.25 ? 699 HOH A O 1 HETATM 3463 O O . HOH F 3 . ? -13.983 47.069 -17.806 1.00 15.66 ? 700 HOH A O 1 HETATM 3464 O O . HOH F 3 . ? -19.494 19.051 -2.542 1.00 17.41 ? 702 HOH A O 1 HETATM 3465 O O . HOH F 3 . ? -24.668 38.783 4.682 1.00 14.90 ? 703 HOH A O 1 HETATM 3466 O O . HOH F 3 . ? -1.126 33.727 25.141 1.00 35.21 ? 704 HOH A O 1 HETATM 3467 O O . HOH F 3 . ? -24.108 47.525 9.618 1.00 15.94 ? 705 HOH A O 1 HETATM 3468 O O . HOH F 3 . ? 0.706 12.497 12.633 1.00 31.79 ? 706 HOH A O 1 HETATM 3469 O O . HOH F 3 . ? -5.828 62.208 6.388 1.00 13.85 ? 707 HOH A O 1 HETATM 3470 O O . HOH F 3 . ? -23.328 21.361 3.489 1.00 17.70 ? 708 HOH A O 1 HETATM 3471 O O . HOH F 3 . ? -8.939 55.733 7.648 1.00 13.36 ? 709 HOH A O 1 HETATM 3472 O O . HOH F 3 . ? -16.938 61.122 -15.330 1.00 30.22 ? 710 HOH A O 1 HETATM 3473 O O . HOH F 3 . ? 13.744 43.234 -4.732 1.00 32.70 ? 711 HOH A O 1 HETATM 3474 O O . HOH F 3 . ? -24.175 34.204 9.636 1.00 20.04 ? 712 HOH A O 1 HETATM 3475 O O . HOH F 3 . ? -27.800 57.550 -11.890 1.00 36.65 ? 713 HOH A O 1 HETATM 3476 O O . HOH F 3 . ? 8.051 25.165 16.958 1.00 13.54 ? 714 HOH A O 1 HETATM 3477 O O . HOH F 3 . ? 1.377 71.620 -12.176 1.00 32.33 ? 715 HOH A O 1 HETATM 3478 O O . HOH F 3 . ? -5.236 28.952 30.098 1.00 32.08 ? 716 HOH A O 1 HETATM 3479 O O . HOH F 3 . ? -19.390 59.917 6.478 1.00 23.16 ? 717 HOH A O 1 HETATM 3480 O O . HOH F 3 . ? -12.224 17.662 8.814 1.00 12.16 ? 718 HOH A O 1 HETATM 3481 O O . HOH F 3 . ? -7.122 51.862 -19.107 1.00 18.00 ? 719 HOH A O 1 HETATM 3482 O O . HOH F 3 . ? 0.176 24.449 18.262 1.00 12.33 ? 720 HOH A O 1 HETATM 3483 O O . HOH F 3 . ? 14.434 53.889 -6.528 1.00 34.77 ? 721 HOH A O 1 HETATM 3484 O O . HOH F 3 . ? -20.284 25.885 -10.333 1.00 11.58 ? 722 HOH A O 1 HETATM 3485 O O . HOH F 3 . ? -14.274 22.082 -11.284 1.00 11.96 ? 723 HOH A O 1 HETATM 3486 O O . HOH F 3 . ? 8.369 44.442 -10.733 1.00 28.99 ? 724 HOH A O 1 HETATM 3487 O O . HOH F 3 . ? 11.229 36.647 -0.219 1.00 11.47 ? 725 HOH A O 1 HETATM 3488 O O . HOH F 3 . ? -27.084 59.991 -15.156 1.00 50.56 ? 726 HOH A O 1 HETATM 3489 O O . HOH F 3 . ? -4.919 26.586 -5.841 1.00 12.24 ? 727 HOH A O 1 HETATM 3490 O O . HOH F 3 . ? 6.350 64.810 -3.451 1.00 15.82 ? 728 HOH A O 1 HETATM 3491 O O . HOH F 3 . ? -23.506 30.988 14.104 1.00 26.75 ? 729 HOH A O 1 HETATM 3492 O O . HOH F 3 . ? -11.766 18.373 -7.353 1.00 18.74 ? 730 HOH A O 1 HETATM 3493 O O . HOH F 3 . ? -0.921 23.250 20.573 1.00 11.35 ? 731 HOH A O 1 HETATM 3494 O O . HOH F 3 . ? 4.376 53.242 9.530 1.00 31.98 ? 732 HOH A O 1 HETATM 3495 O O . HOH F 3 . ? -14.546 62.219 -11.557 1.00 16.95 ? 733 HOH A O 1 HETATM 3496 O O . HOH F 3 . ? -27.631 48.436 -5.663 1.00 25.58 ? 734 HOH A O 1 HETATM 3497 O O . HOH F 3 . ? 0.520 68.426 -6.215 1.00 14.71 ? 735 HOH A O 1 HETATM 3498 O O . HOH F 3 . ? -15.049 16.034 7.483 1.00 18.03 ? 736 HOH A O 1 HETATM 3499 O O . HOH F 3 . ? -9.430 25.761 22.955 1.00 13.75 ? 737 HOH A O 1 HETATM 3500 O O . HOH F 3 . ? 12.899 53.067 -2.672 1.00 31.17 ? 738 HOH A O 1 HETATM 3501 O O . HOH F 3 . ? 11.788 31.975 6.440 1.00 11.58 ? 739 HOH A O 1 HETATM 3502 O O . HOH F 3 . ? -3.182 46.555 5.086 1.00 10.01 ? 740 HOH A O 1 HETATM 3503 O O . HOH F 3 . ? -9.582 72.149 8.349 1.00 19.91 ? 741 HOH A O 1 HETATM 3504 O O . HOH F 3 . ? 3.935 68.087 -3.537 1.00 22.50 ? 742 HOH A O 1 HETATM 3505 O O . HOH F 3 . ? -10.872 75.997 -2.327 1.00 12.56 ? 743 HOH A O 1 HETATM 3506 O O . HOH F 3 . ? -17.268 52.831 -15.398 1.00 21.56 ? 744 HOH A O 1 HETATM 3507 O O . HOH F 3 . ? -15.743 30.731 -18.294 1.00 16.62 ? 745 HOH A O 1 HETATM 3508 O O . HOH F 3 . ? -11.732 18.586 -0.661 1.00 15.43 ? 746 HOH A O 1 HETATM 3509 O O . HOH F 3 . ? 3.210 56.892 -16.323 1.00 16.66 ? 747 HOH A O 1 HETATM 3510 O O . HOH F 3 . ? -23.664 46.023 -20.489 1.00 38.92 ? 748 HOH A O 1 HETATM 3511 O O . HOH F 3 . ? 5.391 20.370 8.894 1.00 24.07 ? 749 HOH A O 1 HETATM 3512 O O . HOH F 3 . ? 8.990 29.448 11.881 1.00 13.92 ? 750 HOH A O 1 HETATM 3513 O O . HOH F 3 . ? 0.278 66.408 -17.245 1.00 21.66 ? 751 HOH A O 1 HETATM 3514 O O . HOH F 3 . ? -31.586 26.340 -0.659 1.00 35.78 ? 752 HOH A O 1 HETATM 3515 O O . HOH F 3 . ? -6.737 57.098 8.923 1.00 19.54 ? 753 HOH A O 1 HETATM 3516 O O . HOH F 3 . ? 3.679 49.214 -13.865 1.00 12.55 ? 754 HOH A O 1 HETATM 3517 O O . HOH F 3 . ? 0.094 36.733 22.007 1.00 34.24 ? 755 HOH A O 1 HETATM 3518 O O . HOH F 3 . ? 5.584 23.098 12.003 1.00 15.69 ? 756 HOH A O 1 HETATM 3519 O O . HOH F 3 . ? -6.942 18.625 4.240 1.00 15.94 ? 757 HOH A O 1 HETATM 3520 O O . HOH F 3 . ? -4.028 42.336 5.696 1.00 13.27 ? 758 HOH A O 1 HETATM 3521 O O . HOH F 3 . ? 2.990 54.215 -17.189 1.00 16.05 ? 759 HOH A O 1 HETATM 3522 O O . HOH F 3 . ? 6.683 19.702 24.502 1.00 27.34 ? 760 HOH A O 1 HETATM 3523 O O . HOH F 3 . ? -2.547 46.376 9.740 1.00 25.33 ? 761 HOH A O 1 HETATM 3524 O O . HOH F 3 . ? -23.793 25.591 3.301 1.00 14.42 ? 762 HOH A O 1 HETATM 3525 O O . HOH F 3 . ? 0.065 53.706 2.609 1.00 12.69 ? 763 HOH A O 1 HETATM 3526 O O . HOH F 3 . ? -12.295 48.687 10.893 1.00 12.20 ? 764 HOH A O 1 HETATM 3527 O O . HOH F 3 . ? -13.101 48.632 14.998 1.00 18.35 ? 765 HOH A O 1 HETATM 3528 O O . HOH F 3 . ? 5.296 15.418 20.815 1.00 31.47 ? 766 HOH A O 1 HETATM 3529 O O . HOH F 3 . ? -11.518 49.930 13.244 1.00 27.56 ? 767 HOH A O 1 HETATM 3530 O O . HOH F 3 . ? -9.071 56.185 -19.634 1.00 35.27 ? 768 HOH A O 1 HETATM 3531 O O . HOH F 3 . ? -27.209 15.201 -6.908 1.00 33.29 ? 769 HOH A O 1 HETATM 3532 O O . HOH F 3 . ? -4.082 73.276 -3.437 1.00 17.95 ? 770 HOH A O 1 HETATM 3533 O O . HOH F 3 . ? -19.611 53.199 -2.799 1.00 13.04 ? 771 HOH A O 1 HETATM 3534 O O . HOH F 3 . ? 1.986 50.241 4.870 1.00 14.44 ? 772 HOH A O 1 HETATM 3535 O O . HOH F 3 . ? -18.630 36.236 -20.913 1.00 11.34 ? 773 HOH A O 1 HETATM 3536 O O . HOH F 3 . ? 6.375 33.711 12.255 1.00 19.91 ? 774 HOH A O 1 HETATM 3537 O O . HOH F 3 . ? -7.529 76.419 -8.905 1.00 20.34 ? 775 HOH A O 1 HETATM 3538 O O . HOH F 3 . ? 0.213 68.881 -9.048 1.00 19.35 ? 776 HOH A O 1 HETATM 3539 O O . HOH F 3 . ? -6.442 34.200 -19.148 1.00 35.65 ? 777 HOH A O 1 HETATM 3540 O O . HOH F 3 . ? 1.596 33.850 20.561 1.00 17.78 ? 778 HOH A O 1 HETATM 3541 O O . HOH F 3 . ? 9.338 26.506 8.628 1.00 22.84 ? 779 HOH A O 1 HETATM 3542 O O . HOH F 3 . ? -15.636 44.976 -16.880 1.00 13.36 ? 780 HOH A O 1 HETATM 3543 O O . HOH F 3 . ? -11.865 65.597 -14.169 1.00 16.47 ? 781 HOH A O 1 HETATM 3544 O O . HOH F 3 . ? 1.850 69.630 -3.997 1.00 28.93 ? 782 HOH A O 1 HETATM 3545 O O . HOH F 3 . ? -20.567 31.557 13.951 1.00 14.17 ? 783 HOH A O 1 HETATM 3546 O O . HOH F 3 . ? -16.447 70.680 7.448 1.00 21.39 ? 784 HOH A O 1 HETATM 3547 O O . HOH F 3 . ? 1.278 34.141 -5.376 1.00 17.69 ? 785 HOH A O 1 HETATM 3548 O O . HOH F 3 . ? -27.887 42.707 -2.749 1.00 14.48 ? 786 HOH A O 1 HETATM 3549 O O . HOH F 3 . ? -26.409 49.193 9.615 1.00 34.88 ? 787 HOH A O 1 HETATM 3550 O O . HOH F 3 . ? -23.638 62.880 -5.560 1.00 29.67 ? 788 HOH A O 1 HETATM 3551 O O . HOH F 3 . ? 3.486 31.736 6.607 1.00 17.45 ? 789 HOH A O 1 HETATM 3552 O O . HOH F 3 . ? -31.086 43.047 -0.029 1.00 33.23 ? 790 HOH A O 1 HETATM 3553 O O . HOH F 3 . ? 5.612 59.154 -12.415 1.00 13.27 ? 791 HOH A O 1 HETATM 3554 O O . HOH F 3 . ? -12.623 17.953 -12.193 1.00 18.63 ? 792 HOH A O 1 HETATM 3555 O O . HOH F 3 . ? -15.082 54.599 -14.845 1.00 16.53 ? 793 HOH A O 1 HETATM 3556 O O . HOH F 3 . ? -7.289 21.172 -1.619 1.00 24.55 ? 794 HOH A O 1 HETATM 3557 O O . HOH F 3 . ? -24.215 39.618 12.930 1.00 31.31 ? 795 HOH A O 1 HETATM 3558 O O . HOH F 3 . ? -18.199 75.558 -3.552 1.00 13.96 ? 796 HOH A O 1 HETATM 3559 O O . HOH F 3 . ? -16.954 37.062 -24.422 1.00 16.01 ? 797 HOH A O 1 HETATM 3560 O O . HOH F 3 . ? -21.987 43.399 7.759 1.00 13.90 ? 798 HOH A O 1 HETATM 3561 O O . HOH F 3 . ? -25.461 55.881 -10.968 1.00 20.42 ? 799 HOH A O 1 HETATM 3562 O O . HOH F 3 . ? -22.671 73.879 5.729 1.00 26.40 ? 800 HOH A O 1 HETATM 3563 O O . HOH F 3 . ? 2.983 59.403 -17.451 1.00 34.53 ? 802 HOH A O 1 HETATM 3564 O O . HOH F 3 . ? -18.762 62.022 -13.272 1.00 20.25 ? 803 HOH A O 1 HETATM 3565 O O . HOH F 3 . ? -24.632 70.598 7.573 1.00 34.56 ? 804 HOH A O 1 HETATM 3566 O O . HOH F 3 . ? 5.529 43.689 8.057 1.00 26.85 ? 805 HOH A O 1 HETATM 3567 O O . HOH F 3 . ? 5.168 23.123 23.891 1.00 21.08 ? 806 HOH A O 1 HETATM 3568 O O . HOH F 3 . ? -28.860 50.828 4.129 1.00 33.73 ? 807 HOH A O 1 HETATM 3569 O O . HOH F 3 . ? -28.333 30.174 8.931 1.00 35.70 ? 808 HOH A O 1 HETATM 3570 O O . HOH F 3 . ? 7.481 21.696 5.377 1.00 17.65 ? 809 HOH A O 1 HETATM 3571 O O . HOH F 3 . ? 2.490 29.507 -0.968 1.00 17.80 ? 810 HOH A O 1 HETATM 3572 O O . HOH F 3 . ? 5.281 65.725 2.630 1.00 26.13 ? 811 HOH A O 1 HETATM 3573 O O . HOH F 3 . ? 12.286 36.862 -2.649 1.00 11.44 ? 812 HOH A O 1 HETATM 3574 O O . HOH F 3 . ? 2.904 67.365 -16.973 1.00 19.97 ? 813 HOH A O 1 HETATM 3575 O O . HOH F 3 . ? -18.502 47.224 16.578 1.00 22.25 ? 814 HOH A O 1 HETATM 3576 O O . HOH F 3 . ? -0.971 71.145 -6.529 1.00 27.00 ? 815 HOH A O 1 HETATM 3577 O O . HOH F 3 . ? -16.349 21.523 21.497 1.00 9.85 ? 816 HOH A O 1 HETATM 3578 O O . HOH F 3 . ? 11.352 32.069 3.712 1.00 9.87 ? 817 HOH A O 1 HETATM 3579 O O . HOH F 3 . ? -6.576 75.676 -4.286 1.00 25.24 ? 818 HOH A O 1 HETATM 3580 O O . HOH F 3 . ? 8.877 64.650 -2.630 1.00 23.09 ? 819 HOH A O 1 HETATM 3581 O O . HOH F 3 . ? -18.637 32.429 -12.699 1.00 16.32 ? 820 HOH A O 1 HETATM 3582 O O . HOH F 3 . ? 4.621 29.306 3.805 1.00 11.86 ? 821 HOH A O 1 HETATM 3583 O O . HOH F 3 . ? 2.111 30.139 3.089 1.00 17.47 ? 822 HOH A O 1 HETATM 3584 O O . HOH F 3 . ? -25.826 28.850 -10.036 1.00 16.39 ? 823 HOH A O 1 HETATM 3585 O O . HOH F 3 . ? -19.942 25.301 23.171 1.00 12.94 ? 824 HOH A O 1 HETATM 3586 O O . HOH F 3 . ? 1.250 32.538 10.442 1.00 13.63 ? 825 HOH A O 1 HETATM 3587 O O . HOH F 3 . ? -9.281 14.950 17.885 1.00 24.47 ? 826 HOH A O 1 HETATM 3588 O O . HOH F 3 . ? -27.089 21.244 6.332 1.00 24.25 ? 827 HOH A O 1 HETATM 3589 O O . HOH F 3 . ? -18.333 76.958 0.873 1.00 18.04 ? 828 HOH A O 1 HETATM 3590 O O . HOH F 3 . ? -21.389 17.550 4.502 1.00 26.10 ? 829 HOH A O 1 HETATM 3591 O O . HOH F 3 . ? -6.949 24.257 -9.705 1.00 15.53 ? 830 HOH A O 1 HETATM 3592 O O . HOH F 3 . ? 6.438 31.317 4.178 1.00 15.24 ? 831 HOH A O 1 HETATM 3593 O O . HOH F 3 . ? 14.314 38.930 -2.701 1.00 21.11 ? 832 HOH A O 1 HETATM 3594 O O . HOH F 3 . ? -26.221 24.642 4.130 1.00 19.89 ? 833 HOH A O 1 HETATM 3595 O O . HOH F 3 . ? -21.832 55.344 -5.060 1.00 15.48 ? 834 HOH A O 1 HETATM 3596 O O . HOH F 3 . ? -34.102 29.353 -1.893 1.00 32.14 ? 835 HOH A O 1 HETATM 3597 O O . HOH F 3 . ? -6.196 29.857 22.411 1.00 13.93 ? 836 HOH A O 1 HETATM 3598 O O . HOH F 3 . ? -2.973 20.827 -2.234 1.00 33.04 ? 837 HOH A O 1 HETATM 3599 O O . HOH F 3 . ? -18.940 17.228 3.768 1.00 24.97 ? 838 HOH A O 1 HETATM 3600 O O . HOH F 3 . ? -9.105 23.610 26.877 1.00 25.03 ? 839 HOH A O 1 HETATM 3601 O O . HOH F 3 . ? 6.374 21.300 28.467 1.00 32.22 ? 840 HOH A O 1 HETATM 3602 O O . HOH F 3 . ? -20.044 16.392 8.333 1.00 23.95 ? 841 HOH A O 1 HETATM 3603 O O . HOH F 3 . ? -11.357 47.692 8.507 1.00 11.99 ? 842 HOH A O 1 HETATM 3604 O O . HOH F 3 . ? 10.154 37.691 -4.099 1.00 22.40 ? 843 HOH A O 1 HETATM 3605 O O . HOH F 3 . ? -14.604 19.981 23.004 1.00 17.75 ? 844 HOH A O 1 HETATM 3606 O O . HOH F 3 . ? 1.219 43.649 -18.999 1.00 28.66 ? 845 HOH A O 1 HETATM 3607 O O . HOH F 3 . ? 5.957 17.388 4.908 1.00 36.30 ? 846 HOH A O 1 HETATM 3608 O O . HOH F 3 . ? -28.977 41.381 0.532 1.00 19.14 ? 847 HOH A O 1 HETATM 3609 O O . HOH F 3 . ? -27.936 53.484 -2.894 1.00 39.84 ? 848 HOH A O 1 HETATM 3610 O O . HOH F 3 . ? -1.913 74.137 -4.710 1.00 29.46 ? 849 HOH A O 1 HETATM 3611 O O . HOH F 3 . ? 7.168 46.117 -12.666 1.00 29.15 ? 850 HOH A O 1 HETATM 3612 O O . HOH F 3 . ? -24.574 57.927 -7.347 1.00 30.37 ? 851 HOH A O 1 HETATM 3613 O O . HOH F 3 . ? -7.281 74.121 6.192 1.00 30.94 ? 852 HOH A O 1 HETATM 3614 O O . HOH F 3 . ? -9.246 17.697 18.617 1.00 17.16 ? 853 HOH A O 1 HETATM 3615 O O . HOH F 3 . ? -11.077 55.516 9.445 1.00 21.14 ? 854 HOH A O 1 HETATM 3616 O O . HOH F 3 . ? -0.056 52.039 4.858 1.00 17.48 ? 855 HOH A O 1 HETATM 3617 O O . HOH F 3 . ? -11.396 71.045 -12.536 1.00 21.89 ? 856 HOH A O 1 HETATM 3618 O O . HOH F 3 . ? 14.931 58.365 -6.703 1.00 25.11 ? 857 HOH A O 1 HETATM 3619 O O . HOH F 3 . ? -2.226 32.536 21.313 1.00 14.29 ? 858 HOH A O 1 HETATM 3620 O O . HOH F 3 . ? -18.719 66.839 10.479 1.00 40.26 ? 859 HOH A O 1 HETATM 3621 O O . HOH F 3 . ? -25.652 53.741 -12.609 1.00 16.96 ? 860 HOH A O 1 HETATM 3622 O O . HOH F 3 . ? 3.798 38.389 -8.700 1.00 16.97 ? 861 HOH A O 1 HETATM 3623 O O . HOH F 3 . ? 8.751 65.983 0.072 1.00 29.47 ? 862 HOH A O 1 HETATM 3624 O O . HOH F 3 . ? -2.734 15.631 11.085 1.00 16.74 ? 863 HOH A O 1 HETATM 3625 O O . HOH F 3 . ? 13.990 40.593 -4.776 1.00 25.46 ? 864 HOH A O 1 HETATM 3626 O O . HOH F 3 . ? -19.266 40.741 -22.766 1.00 20.55 ? 865 HOH A O 1 HETATM 3627 O O . HOH F 3 . ? -14.705 63.016 12.370 1.00 28.20 ? 866 HOH A O 1 HETATM 3628 O O . HOH F 3 . ? -3.663 40.107 7.754 1.00 21.84 ? 867 HOH A O 1 HETATM 3629 O O . HOH F 3 . ? -8.133 21.131 1.605 1.00 24.90 ? 868 HOH A O 1 HETATM 3630 O O . HOH F 3 . ? 5.332 50.749 -9.942 1.00 18.56 ? 869 HOH A O 1 HETATM 3631 O O . HOH F 3 . ? -7.309 60.839 11.675 1.00 27.33 ? 870 HOH A O 1 HETATM 3632 O O . HOH F 3 . ? 4.842 59.970 10.047 1.00 25.25 ? 871 HOH A O 1 HETATM 3633 O O . HOH F 3 . ? 0.076 66.974 3.708 1.00 30.04 ? 872 HOH A O 1 HETATM 3634 O O . HOH F 3 . ? 4.259 36.270 -10.371 1.00 22.97 ? 873 HOH A O 1 HETATM 3635 O O . HOH F 3 . ? -30.159 35.846 -12.412 1.00 24.30 ? 874 HOH A O 1 HETATM 3636 O O . HOH F 3 . ? 8.460 54.084 -9.734 1.00 17.92 ? 875 HOH A O 1 HETATM 3637 O O . HOH F 3 . ? -16.360 44.596 -24.274 1.00 23.14 ? 876 HOH A O 1 HETATM 3638 O O . HOH F 3 . ? -26.032 34.175 3.936 1.00 19.66 ? 877 HOH A O 1 HETATM 3639 O O . HOH F 3 . ? -20.477 58.753 0.930 1.00 19.88 ? 878 HOH A O 1 HETATM 3640 O O . HOH F 3 . ? -2.449 26.571 -4.596 1.00 20.44 ? 879 HOH A O 1 HETATM 3641 O O . HOH F 3 . ? 6.988 41.296 -8.790 1.00 19.64 ? 880 HOH A O 1 HETATM 3642 O O . HOH F 3 . ? -26.925 22.589 10.985 1.00 14.82 ? 881 HOH A O 1 HETATM 3643 O O . HOH F 3 . ? 3.008 67.370 4.320 1.00 29.07 ? 882 HOH A O 1 HETATM 3644 O O . HOH F 3 . ? 7.101 55.512 -11.561 1.00 16.68 ? 883 HOH A O 1 HETATM 3645 O O . HOH F 3 . ? -19.839 73.121 3.185 1.00 24.90 ? 884 HOH A O 1 HETATM 3646 O O . HOH F 3 . ? 3.480 54.236 -21.881 1.00 29.24 ? 885 HOH A O 1 HETATM 3647 O O . HOH F 3 . ? -5.955 27.107 23.031 1.00 17.08 ? 886 HOH A O 1 HETATM 3648 O O . HOH F 3 . ? 11.381 44.270 -5.128 1.00 21.20 ? 887 HOH A O 1 HETATM 3649 O O . HOH F 3 . ? 3.212 28.384 -12.489 1.00 27.21 ? 888 HOH A O 1 HETATM 3650 O O . HOH F 3 . ? -17.672 48.966 -15.310 1.00 20.58 ? 889 HOH A O 1 HETATM 3651 O O . HOH F 3 . ? 8.118 42.530 7.518 1.00 24.42 ? 890 HOH A O 1 HETATM 3652 O O . HOH F 3 . ? -21.040 53.726 8.044 1.00 22.10 ? 891 HOH A O 1 HETATM 3653 O O . HOH F 3 . ? -1.221 68.319 -11.359 1.00 19.49 ? 892 HOH A O 1 HETATM 3654 O O . HOH F 3 . ? -8.348 24.915 30.763 1.00 22.86 ? 893 HOH A O 1 HETATM 3655 O O . HOH F 3 . ? -19.648 53.907 0.876 1.00 15.00 ? 894 HOH A O 1 HETATM 3656 O O . HOH F 3 . ? 8.933 62.086 -1.023 1.00 16.75 ? 895 HOH A O 1 HETATM 3657 O O . HOH F 3 . ? -23.640 19.373 1.538 1.00 24.45 ? 896 HOH A O 1 HETATM 3658 O O . HOH F 3 . ? -4.448 24.367 -1.720 1.00 19.36 ? 897 HOH A O 1 HETATM 3659 O O . HOH F 3 . ? 1.683 28.755 -5.160 1.00 24.29 ? 898 HOH A O 1 HETATM 3660 O O . HOH F 3 . ? -21.695 35.505 16.626 1.00 27.03 ? 899 HOH A O 1 HETATM 3661 O O . HOH F 3 . ? -14.284 18.915 -1.712 1.00 18.94 ? 900 HOH A O 1 HETATM 3662 O O . HOH F 3 . ? -27.889 23.097 -2.186 1.00 20.12 ? 901 HOH A O 1 HETATM 3663 O O . HOH F 3 . ? -24.311 45.362 7.943 1.00 19.66 ? 902 HOH A O 1 HETATM 3664 O O . HOH F 3 . ? 3.603 71.425 -5.715 1.00 37.71 ? 903 HOH A O 1 HETATM 3665 O O . HOH F 3 . ? -24.132 27.807 1.693 1.00 18.13 ? 904 HOH A O 1 HETATM 3666 O O . HOH F 3 . ? -3.144 68.682 2.031 1.00 22.65 ? 905 HOH A O 1 HETATM 3667 O O . HOH F 3 . ? -25.813 18.999 -5.202 1.00 37.22 ? 906 HOH A O 1 HETATM 3668 O O . HOH F 3 . ? 6.662 40.970 9.481 1.00 19.96 ? 907 HOH A O 1 HETATM 3669 O O . HOH F 3 . ? -15.851 57.158 7.938 1.00 20.38 ? 908 HOH A O 1 HETATM 3670 O O . HOH F 3 . ? 0.257 30.206 4.951 1.00 19.12 ? 909 HOH A O 1 HETATM 3671 O O . HOH F 3 . ? 8.226 31.865 13.167 1.00 20.94 ? 910 HOH A O 1 HETATM 3672 O O . HOH F 3 . ? -26.566 39.858 6.507 1.00 26.20 ? 911 HOH A O 1 HETATM 3673 O O . HOH F 3 . ? -15.842 77.161 -13.421 1.00 33.55 ? 912 HOH A O 1 HETATM 3674 O O . HOH F 3 . ? -5.167 24.574 -7.703 1.00 20.73 ? 913 HOH A O 1 HETATM 3675 O O . HOH F 3 . ? -10.321 74.637 9.297 1.00 24.68 ? 914 HOH A O 1 HETATM 3676 O O . HOH F 3 . ? 5.216 44.772 -14.277 1.00 20.58 ? 915 HOH A O 1 HETATM 3677 O O . HOH F 3 . ? -11.907 78.002 -3.961 1.00 21.60 ? 916 HOH A O 1 HETATM 3678 O O . HOH F 3 . ? -0.715 38.526 7.381 1.00 16.17 ? 917 HOH A O 1 HETATM 3679 O O . HOH F 3 . ? -11.494 26.772 25.150 1.00 24.78 ? 918 HOH A O 1 HETATM 3680 O O . HOH F 3 . ? -26.964 18.532 11.540 1.00 20.89 ? 919 HOH A O 1 HETATM 3681 O O . HOH F 3 . ? -26.262 29.992 2.477 1.00 23.43 ? 920 HOH A O 1 HETATM 3682 O O . HOH F 3 . ? 4.688 34.367 1.087 1.00 14.65 ? 921 HOH A O 1 HETATM 3683 O O . HOH F 3 . ? -5.358 48.754 10.475 1.00 24.94 ? 922 HOH A O 1 HETATM 3684 O O . HOH F 3 . ? -3.700 70.569 -10.286 1.00 24.96 ? 923 HOH A O 1 HETATM 3685 O O . HOH F 3 . ? -2.244 45.445 7.337 1.00 24.43 ? 924 HOH A O 1 HETATM 3686 O O . HOH F 3 . ? 3.135 50.298 7.290 1.00 23.10 ? 925 HOH A O 1 HETATM 3687 O O . HOH F 3 . ? 13.936 32.678 2.849 1.00 11.33 ? 926 HOH A O 1 HETATM 3688 O O . HOH F 3 . ? 8.730 31.851 2.683 1.00 9.76 ? 927 HOH A O 1 HETATM 3689 O O . HOH F 3 . ? -20.629 22.685 23.976 1.00 19.80 ? 928 HOH A O 1 HETATM 3690 O O . HOH F 3 . ? -1.034 42.537 -17.547 1.00 26.97 ? 929 HOH A O 1 HETATM 3691 O O . HOH F 3 . ? -13.642 16.763 16.692 1.00 15.13 ? 930 HOH A O 1 HETATM 3692 O O . HOH F 3 . ? -6.885 21.529 -9.751 1.00 22.27 ? 931 HOH A O 1 HETATM 3693 O O . HOH F 3 . ? -1.462 71.122 -9.096 1.00 22.95 ? 932 HOH A O 1 HETATM 3694 O O . HOH F 3 . ? -27.896 27.521 -2.543 1.00 21.29 ? 933 HOH A O 1 HETATM 3695 O O . HOH F 3 . ? -4.023 45.822 -19.954 1.00 20.13 ? 934 HOH A O 1 HETATM 3696 O O . HOH F 3 . ? -13.644 23.651 -13.504 1.00 22.09 ? 935 HOH A O 1 HETATM 3697 O O . HOH F 3 . ? -20.121 26.948 25.288 1.00 22.86 ? 936 HOH A O 1 HETATM 3698 O O . HOH F 3 . ? -2.951 27.328 -10.718 1.00 26.28 ? 937 HOH A O 1 HETATM 3699 O O . HOH F 3 . ? -19.521 69.542 -10.144 1.00 20.12 ? 938 HOH A O 1 HETATM 3700 O O . HOH F 3 . ? -19.319 29.649 -13.119 1.00 21.31 ? 939 HOH A O 1 HETATM 3701 O O . HOH F 3 . ? -6.540 75.010 0.163 1.00 21.59 ? 940 HOH A O 1 HETATM 3702 O O . HOH F 3 . ? -22.148 28.935 3.171 1.00 12.53 ? 941 HOH A O 1 HETATM 3703 O O . HOH F 3 . ? -24.511 61.439 -15.556 1.00 29.47 ? 942 HOH A O 1 HETATM 3704 O O . HOH F 3 . ? -13.830 52.650 -16.408 1.00 20.43 ? 943 HOH A O 1 HETATM 3705 O O . HOH F 3 . ? 2.725 68.189 -10.429 1.00 21.63 ? 944 HOH A O 1 HETATM 3706 O O . HOH F 3 . ? -18.967 56.209 2.290 1.00 22.80 ? 945 HOH A O 1 HETATM 3707 O O . HOH F 3 . ? -27.768 23.003 8.228 1.00 16.40 ? 946 HOH A O 1 HETATM 3708 O O . HOH F 3 . ? 13.083 34.018 10.703 1.00 35.39 ? 947 HOH A O 1 HETATM 3709 O O . HOH F 3 . ? 7.540 37.905 13.313 1.00 26.02 ? 948 HOH A O 1 HETATM 3710 O O . HOH F 3 . ? -16.194 34.365 20.297 1.00 10.21 ? 949 HOH A O 1 HETATM 3711 O O . HOH F 3 . ? -2.631 36.887 7.838 1.00 13.01 ? 950 HOH A O 1 HETATM 3712 O O . HOH F 3 . ? -3.617 35.415 9.610 1.00 9.19 ? 951 HOH A O 1 HETATM 3713 O O . HOH F 3 . ? -5.051 30.137 19.856 1.00 11.44 ? 952 HOH A O 1 HETATM 3714 O O . HOH F 3 . ? -17.032 25.324 22.643 1.00 12.88 ? 953 HOH A O 1 HETATM 3715 O O . HOH F 3 . ? -9.838 32.394 24.135 1.00 14.72 ? 954 HOH A O 1 HETATM 3716 O O . HOH F 3 . ? -14.822 50.392 4.137 1.00 13.71 ? 955 HOH A O 1 HETATM 3717 O O . HOH F 3 . ? -6.642 59.884 9.150 1.00 16.93 ? 956 HOH A O 1 HETATM 3718 O O . HOH F 3 . ? 9.092 43.527 -6.272 1.00 21.41 ? 957 HOH A O 1 HETATM 3719 O O . HOH F 3 . ? -10.263 54.877 -17.780 1.00 19.50 ? 958 HOH A O 1 HETATM 3720 O O . HOH F 3 . ? -18.444 42.623 -24.835 1.00 20.13 ? 959 HOH A O 1 HETATM 3721 O O . HOH F 3 . ? 7.949 18.507 15.420 1.00 20.25 ? 960 HOH A O 1 HETATM 3722 O O . HOH F 3 . ? 1.176 30.131 -3.032 1.00 20.76 ? 961 HOH A O 1 HETATM 3723 O O . HOH F 3 . ? 12.851 38.827 2.042 1.00 24.03 ? 962 HOH A O 1 HETATM 3724 O O . HOH F 3 . ? 10.248 39.252 7.569 1.00 22.42 ? 963 HOH A O 1 HETATM 3725 O O . HOH F 3 . ? -24.723 67.105 -6.109 1.00 25.42 ? 964 HOH A O 1 HETATM 3726 O O . HOH F 3 . ? -13.487 15.161 9.793 1.00 21.30 ? 965 HOH A O 1 HETATM 3727 O O . HOH F 3 . ? -23.347 32.927 -15.883 1.00 26.15 ? 966 HOH A O 1 HETATM 3728 O O . HOH F 3 . ? 14.022 34.188 1.011 1.00 13.98 ? 967 HOH A O 1 HETATM 3729 O O . HOH F 3 . ? 0.730 27.899 1.820 1.00 11.79 ? 968 HOH A O 1 HETATM 3730 O O . HOH F 3 . ? -7.966 49.205 9.795 1.00 22.23 ? 969 HOH A O 1 HETATM 3731 O O . HOH F 3 . ? 5.710 41.860 -13.455 1.00 21.50 ? 970 HOH A O 1 HETATM 3732 O O . HOH F 3 . ? -3.813 53.934 8.042 1.00 27.27 ? 971 HOH A O 1 HETATM 3733 O O . HOH F 3 . ? 6.220 66.686 0.540 1.00 23.34 ? 972 HOH A O 1 HETATM 3734 O O . HOH F 3 . ? -16.624 18.612 -5.296 1.00 22.38 ? 973 HOH A O 1 HETATM 3735 O O . HOH F 3 . ? -16.628 59.652 7.227 1.00 23.39 ? 974 HOH A O 1 HETATM 3736 O O . HOH F 3 . ? -4.850 18.698 2.442 1.00 27.50 ? 975 HOH A O 1 HETATM 3737 O O . HOH F 3 . ? -1.002 70.805 -13.034 1.00 29.29 ? 976 HOH A O 1 HETATM 3738 O O . HOH F 3 . ? 10.614 18.924 12.455 1.00 27.00 ? 977 HOH A O 1 HETATM 3739 O O . HOH F 3 . ? 0.165 54.489 8.908 1.00 24.75 ? 978 HOH A O 1 HETATM 3740 O O . HOH F 3 . ? -25.617 49.958 -4.165 1.00 17.68 ? 979 HOH A O 1 HETATM 3741 O O . HOH F 3 . ? -4.586 35.697 23.701 1.00 27.05 ? 980 HOH A O 1 HETATM 3742 O O . HOH F 3 . ? 10.704 42.037 7.895 1.00 30.61 ? 981 HOH A O 1 HETATM 3743 O O . HOH F 3 . ? -1.912 41.947 6.943 1.00 23.81 ? 982 HOH A O 1 HETATM 3744 O O . HOH F 3 . ? 4.258 32.922 3.393 1.00 13.55 ? 983 HOH A O 1 HETATM 3745 O O . HOH F 3 . ? -22.214 34.972 -15.677 1.00 23.59 ? 984 HOH A O 1 HETATM 3746 O O . HOH F 3 . ? -4.128 73.491 -0.683 1.00 22.93 ? 985 HOH A O 1 HETATM 3747 O O . HOH F 3 . ? -29.365 40.773 3.321 1.00 27.95 ? 986 HOH A O 1 HETATM 3748 O O . HOH F 3 . ? 9.358 26.721 15.082 1.00 26.25 ? 987 HOH A O 1 HETATM 3749 O O . HOH F 3 . ? -29.709 48.769 -15.466 1.00 28.98 ? 988 HOH A O 1 HETATM 3750 O O . HOH F 3 . ? -17.739 55.445 4.667 1.00 27.44 ? 989 HOH A O 1 HETATM 3751 O O . HOH F 3 . ? -29.640 29.651 -2.839 1.00 19.30 ? 990 HOH A O 1 HETATM 3752 O O . HOH F 3 . ? 2.832 20.091 1.536 1.00 26.95 ? 991 HOH A O 1 HETATM 3753 O O . HOH F 3 . ? 8.314 58.598 3.474 1.00 20.67 ? 992 HOH A O 1 HETATM 3754 O O . HOH F 3 . ? 9.566 22.774 17.061 1.00 15.22 ? 993 HOH A O 1 HETATM 3755 O O . HOH F 3 . ? -8.535 65.250 9.722 1.00 27.09 ? 994 HOH A O 1 HETATM 3756 O O . HOH F 3 . ? 9.602 49.390 -9.955 1.00 26.46 ? 995 HOH A O 1 HETATM 3757 O O . HOH F 3 . ? -24.226 26.485 -9.539 1.00 18.17 ? 996 HOH A O 1 HETATM 3758 O O . HOH F 3 . ? -0.299 39.955 4.945 1.00 17.70 ? 997 HOH A O 1 HETATM 3759 O O . HOH F 3 . ? -18.639 72.287 -10.158 1.00 20.69 ? 998 HOH A O 1 HETATM 3760 O O . HOH F 3 . ? -13.426 13.795 6.377 1.00 24.84 ? 999 HOH A O 1 HETATM 3761 O O . HOH F 3 . ? -29.299 38.794 -15.327 1.00 29.05 ? 1000 HOH A O 1 HETATM 3762 O O . HOH F 3 . ? 11.001 57.683 6.375 1.00 29.24 ? 1001 HOH A O 1 HETATM 3763 O O . HOH F 3 . ? -8.551 25.628 25.598 1.00 21.71 ? 1002 HOH A O 1 HETATM 3764 O O . HOH F 3 . ? -27.216 25.225 6.802 1.00 23.28 ? 1003 HOH A O 1 HETATM 3765 O O . HOH F 3 . ? -26.050 22.020 3.896 1.00 19.96 ? 1004 HOH A O 1 HETATM 3766 O O . HOH F 3 . ? -17.698 15.562 6.726 1.00 29.46 ? 1005 HOH A O 1 HETATM 3767 O O . HOH F 3 . ? -24.746 30.930 6.046 1.00 19.26 ? 1006 HOH A O 1 HETATM 3768 O O . HOH F 3 . ? -18.670 45.094 -17.815 1.00 20.56 ? 1007 HOH A O 1 HETATM 3769 O O . HOH F 3 . ? -13.698 56.498 9.730 1.00 23.04 ? 1008 HOH A O 1 HETATM 3770 O O . HOH F 3 . ? -7.377 19.954 -7.695 1.00 21.26 ? 1009 HOH A O 1 HETATM 3771 O O . HOH F 3 . ? -19.364 59.736 -3.594 1.00 15.26 ? 1010 HOH A O 1 HETATM 3772 O O . HOH F 3 . ? -3.394 33.149 23.625 1.00 22.93 ? 1011 HOH A O 1 HETATM 3773 O O . HOH F 3 . ? -25.872 70.303 -3.839 1.00 36.71 ? 1012 HOH A O 1 HETATM 3774 O O . HOH F 3 . ? -22.539 12.560 -2.793 1.00 24.20 ? 1013 HOH A O 1 HETATM 3775 O O . HOH F 3 . ? -19.433 77.474 -2.043 1.00 25.73 ? 1014 HOH A O 1 HETATM 3776 O O . HOH F 3 . ? -0.949 28.688 -9.677 1.00 28.69 ? 1015 HOH A O 1 HETATM 3777 O O . HOH F 3 . ? -21.839 59.367 -4.072 1.00 22.51 ? 1016 HOH A O 1 HETATM 3778 O O . HOH F 3 . ? -4.541 40.019 -19.734 1.00 27.00 ? 1017 HOH A O 1 HETATM 3779 O O . HOH F 3 . ? 9.986 47.924 -7.813 1.00 21.41 ? 1018 HOH A O 1 HETATM 3780 O O . HOH F 3 . ? -27.120 66.805 6.150 1.00 38.21 ? 1019 HOH A O 1 HETATM 3781 O O . HOH F 3 . ? -6.045 40.924 20.524 1.00 23.42 ? 1020 HOH A O 1 HETATM 3782 O O . HOH F 3 . ? -1.827 13.037 11.735 1.00 29.10 ? 1021 HOH A O 1 HETATM 3783 O O . HOH F 3 . ? -5.517 16.209 10.744 1.00 18.39 ? 1022 HOH A O 1 HETATM 3784 O O . HOH F 3 . ? 1.409 40.949 17.494 1.00 27.90 ? 1023 HOH A O 1 HETATM 3785 O O . HOH F 3 . ? -22.350 19.874 5.738 1.00 21.14 ? 1024 HOH A O 1 HETATM 3786 O O . HOH F 3 . ? -3.115 48.888 7.999 1.00 22.07 ? 1025 HOH A O 1 HETATM 3787 O O . HOH F 3 . ? 1.390 30.619 8.108 1.00 14.93 ? 1026 HOH A O 1 HETATM 3788 O O . HOH F 3 . ? -18.221 56.316 9.117 1.00 23.75 ? 1027 HOH A O 1 HETATM 3789 O O . HOH F 3 . ? -22.082 54.552 -0.143 1.00 24.33 ? 1028 HOH A O 1 HETATM 3790 O O . HOH F 3 . ? 1.916 24.552 -5.007 1.00 20.11 ? 1029 HOH A O 1 HETATM 3791 O O . HOH F 3 . ? -23.214 19.785 -4.565 1.00 27.94 ? 1030 HOH A O 1 HETATM 3792 O O . HOH F 3 . ? -28.176 37.727 3.789 1.00 30.29 ? 1031 HOH A O 1 HETATM 3793 O O . HOH F 3 . ? -28.152 37.469 -13.202 1.00 20.75 ? 1032 HOH A O 1 HETATM 3794 O O . HOH F 3 . ? -22.538 66.279 9.948 1.00 25.44 ? 1033 HOH A O 1 HETATM 3795 O O . HOH F 3 . ? -20.262 42.792 -21.146 1.00 18.88 ? 1034 HOH A O 1 HETATM 3796 O O . HOH F 3 . ? -6.211 26.821 25.652 1.00 21.57 ? 1035 HOH A O 1 HETATM 3797 O O . HOH F 3 . ? -25.453 67.127 -1.441 1.00 23.98 ? 1036 HOH A O 1 HETATM 3798 O O . HOH F 3 . ? -24.569 32.221 3.121 1.00 27.04 ? 1037 HOH A O 1 HETATM 3799 O O . HOH F 3 . ? -5.532 14.758 13.890 1.00 29.72 ? 1038 HOH A O 1 HETATM 3800 O O . HOH F 3 . ? -26.612 24.804 -8.878 1.00 21.35 ? 1039 HOH A O 1 HETATM 3801 O O . HOH F 3 . ? -12.686 30.079 -18.126 1.00 31.86 ? 1040 HOH A O 1 HETATM 3802 O O . HOH F 3 . ? 14.366 50.217 1.079 1.00 28.10 ? 1041 HOH A O 1 HETATM 3803 O O . HOH F 3 . ? 3.066 34.172 -1.207 1.00 15.42 ? 1042 HOH A O 1 HETATM 3804 O O . HOH F 3 . ? 3.123 13.864 13.569 1.00 30.43 ? 1043 HOH A O 1 HETATM 3805 O O . HOH F 3 . ? -15.509 65.369 -13.429 1.00 28.94 ? 1044 HOH A O 1 HETATM 3806 O O . HOH F 3 . ? 2.536 31.596 0.874 1.00 15.68 ? 1045 HOH A O 1 HETATM 3807 O O . HOH F 3 . ? -21.315 52.874 3.319 1.00 22.50 ? 1046 HOH A O 1 HETATM 3808 O O . HOH F 3 . ? -26.299 22.239 -10.152 1.00 34.04 ? 1047 HOH A O 1 HETATM 3809 O O . HOH F 3 . ? -28.682 22.628 0.357 1.00 31.09 ? 1048 HOH A O 1 HETATM 3810 O O . HOH F 3 . ? 6.009 49.490 -12.258 1.00 27.59 ? 1049 HOH A O 1 HETATM 3811 O O . HOH F 3 . ? -28.426 31.329 -13.048 1.00 21.13 ? 1050 HOH A O 1 HETATM 3812 O O . HOH F 3 . ? -1.179 68.410 -18.394 1.00 31.41 ? 1051 HOH A O 1 HETATM 3813 O O . HOH F 3 . ? -28.968 48.178 -18.306 1.00 38.20 ? 1052 HOH A O 1 HETATM 3814 O O . HOH F 3 . ? 10.198 61.555 1.359 1.00 32.31 ? 1053 HOH A O 1 HETATM 3815 O O . HOH F 3 . ? -18.964 58.458 10.728 1.00 34.14 ? 1054 HOH A O 1 HETATM 3816 O O . HOH F 3 . ? -17.762 38.377 -26.732 1.00 22.71 ? 1055 HOH A O 1 HETATM 3817 O O . HOH F 3 . ? -25.532 37.694 9.861 1.00 35.22 ? 1056 HOH A O 1 HETATM 3818 O O . HOH F 3 . ? -2.510 24.221 -3.458 1.00 19.88 ? 1057 HOH A O 1 HETATM 3819 O O . HOH F 3 . ? -23.658 52.474 -1.549 1.00 23.19 ? 1058 HOH A O 1 HETATM 3820 O O . HOH F 3 . ? -5.444 58.940 -17.904 1.00 30.60 ? 1059 HOH A O 1 HETATM 3821 O O . HOH F 3 . ? -10.937 46.584 -20.628 1.00 18.47 ? 1060 HOH A O 1 HETATM 3822 O O . HOH F 3 . ? 14.609 40.847 -0.628 1.00 28.05 ? 1061 HOH A O 1 HETATM 3823 O O . HOH F 3 . ? -12.750 66.273 12.491 1.00 31.39 ? 1062 HOH A O 1 HETATM 3824 O O . HOH F 3 . ? 9.466 22.294 14.338 1.00 21.73 ? 1063 HOH A O 1 HETATM 3825 O O . HOH F 3 . ? 7.524 41.813 -11.325 1.00 19.92 ? 1064 HOH A O 1 HETATM 3826 O O . HOH F 3 . ? 6.292 54.694 1.649 1.00 17.32 ? 1065 HOH A O 1 HETATM 3827 O O . HOH F 3 . ? -20.987 35.049 -21.451 1.00 23.81 ? 1066 HOH A O 1 HETATM 3828 O O . HOH F 3 . ? 7.950 24.213 12.798 1.00 23.66 ? 1067 HOH A O 1 HETATM 3829 O O . HOH F 3 . ? -5.931 47.603 -21.446 1.00 31.39 ? 1068 HOH A O 1 HETATM 3830 O O . HOH F 3 . ? -14.365 61.259 -14.145 1.00 27.33 ? 1069 HOH A O 1 HETATM 3831 O O . HOH F 3 . ? -4.719 68.249 4.322 1.00 23.16 ? 1070 HOH A O 1 HETATM 3832 O O . HOH F 3 . ? -16.293 45.752 17.449 1.00 21.29 ? 1071 HOH A O 1 HETATM 3833 O O . HOH F 3 . ? -21.832 43.567 10.367 1.00 25.38 ? 1072 HOH A O 1 HETATM 3834 O O . HOH F 3 . ? -30.049 28.460 3.180 1.00 26.82 ? 1073 HOH A O 1 HETATM 3835 O O . HOH F 3 . ? -1.219 52.768 7.352 1.00 24.72 ? 1074 HOH A O 1 HETATM 3836 O O . HOH F 3 . ? 16.007 48.078 -3.878 1.00 27.49 ? 1075 HOH A O 1 HETATM 3837 O O . HOH F 3 . ? 2.891 46.204 6.367 1.00 19.47 ? 1076 HOH A O 1 HETATM 3838 O O . HOH F 3 . ? -10.821 52.954 10.517 1.00 22.94 ? 1077 HOH A O 1 HETATM 3839 O O . HOH F 3 . ? -22.028 43.595 12.679 1.00 24.78 ? 1078 HOH A O 1 HETATM 3840 O O . HOH F 3 . ? -15.732 60.974 9.521 1.00 26.83 ? 1079 HOH A O 1 HETATM 3841 O O . HOH F 3 . ? -3.575 71.479 1.497 1.00 27.85 ? 1080 HOH A O 1 HETATM 3842 O O . HOH F 3 . ? -14.663 57.174 -16.158 1.00 22.19 ? 1081 HOH A O 1 HETATM 3843 O O . HOH F 3 . ? -7.157 68.891 -17.936 1.00 35.78 ? 1082 HOH A O 1 HETATM 3844 O O . HOH F 3 . ? -8.113 70.806 10.165 1.00 36.61 ? 1083 HOH A O 1 HETATM 3845 O O . HOH F 3 . ? -29.437 25.163 -2.873 1.00 33.80 ? 1084 HOH A O 1 HETATM 3846 O O . HOH F 3 . ? -25.986 51.792 -10.776 1.00 22.67 ? 1085 HOH A O 1 HETATM 3847 O O . HOH F 3 . ? -15.978 27.439 -16.114 1.00 22.68 ? 1086 HOH A O 1 HETATM 3848 O O . HOH F 3 . ? -25.983 25.941 9.180 1.00 18.84 ? 1087 HOH A O 1 HETATM 3849 O O . HOH F 3 . ? -25.262 16.122 -4.293 1.00 32.44 ? 1088 HOH A O 1 HETATM 3850 O O . HOH F 3 . ? -23.407 78.308 -5.584 1.00 32.91 ? 1089 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . PCA A 1 ? 0.2625 0.3489 0.2130 -0.0148 0.0842 0.0421 1 PCA A N 2 C CA . PCA A 1 ? 0.1867 0.2682 0.2063 -0.0379 0.0000 0.0006 1 PCA A CA 3 C CB . PCA A 1 ? 0.2565 0.3149 0.3259 0.0029 -0.0123 -0.0372 1 PCA A CB 4 C CG . PCA A 1 ? 0.3374 0.3182 0.2825 0.0452 0.0132 0.0458 1 PCA A CG 5 C CD . PCA A 1 ? 0.3354 0.3155 0.2272 0.0450 0.0379 0.0112 1 PCA A CD 6 O OE . PCA A 1 ? 0.3267 0.3182 0.2228 0.0454 0.0283 -0.0163 1 PCA A OE 7 C C . PCA A 1 ? 0.1930 0.2221 0.1611 -0.0602 -0.0241 -0.0077 1 PCA A C 8 O O . PCA A 1 ? 0.2189 0.2750 0.1677 -0.0355 -0.0414 -0.0048 1 PCA A O 9 N N . PRO A 2 ? 0.1730 0.1742 0.1626 -0.0580 -0.0252 -0.0202 2 PRO A N 10 C CA . PRO A 2 ? 0.1820 0.1435 0.1909 -0.0552 -0.0282 -0.0006 2 PRO A CA 11 C C . PRO A 2 ? 0.1599 0.1383 0.1824 -0.0250 -0.0264 -0.0014 2 PRO A C 12 O O . PRO A 2 ? 0.1808 0.1734 0.2904 -0.0051 -0.0468 -0.0266 2 PRO A O 13 C CB . PRO A 2 ? 0.2094 0.1953 0.1923 -0.0674 0.0009 -0.0117 2 PRO A CB 14 C CG . PRO A 2 ? 0.2187 0.2972 0.1831 -0.0302 -0.0327 -0.0406 2 PRO A CG 15 C CD . PRO A 2 ? 0.1749 0.2156 0.1858 -0.0465 -0.0423 -0.0161 2 PRO A CD 16 N N . SER A 3 ? 0.1762 0.1095 0.1391 -0.0384 -0.0271 0.0057 3 SER A N 17 C CA . SER A 3 ? 0.1945 0.1107 0.1255 -0.0391 -0.0026 -0.0065 3 SER A CA 18 C C . SER A 3 ? 0.1656 0.0935 0.1118 -0.0373 -0.0341 -0.0053 3 SER A C 19 O O . SER A 3 ? 0.1752 0.1082 0.1221 -0.0163 -0.0308 0.0080 3 SER A O 20 C CB . SER A 3 ? 0.2588 0.1329 0.1318 -0.0498 -0.0225 -0.0160 3 SER A CB 21 O OG . SER A 3 ? 0.3491 0.2300 0.1762 -0.0980 0.0169 -0.0154 3 SER A OG 22 N N . PHE A 4 ? 0.1375 0.0938 0.1109 -0.0262 -0.0246 -0.0022 4 PHE A N 23 C CA . PHE A 4 ? 0.1297 0.0879 0.0982 -0.0251 -0.0316 -0.0065 4 PHE A CA 24 C C . PHE A 4 ? 0.1318 0.0911 0.1106 -0.0199 -0.0354 -0.0067 4 PHE A C 25 O O . PHE A 4 ? 0.1463 0.0948 0.1347 -0.0252 -0.0318 -0.0233 4 PHE A O 26 C CB . PHE A 4 ? 0.1271 0.0897 0.1059 -0.0148 -0.0235 -0.0110 4 PHE A CB 27 C CG . PHE A 4 ? 0.1137 0.0940 0.0977 -0.0229 -0.0189 -0.0047 4 PHE A CG 28 C CD1 . PHE A 4 ? 0.1293 0.0916 0.1005 -0.0274 -0.0314 0.0040 4 PHE A CD1 29 C CD2 . PHE A 4 ? 0.1093 0.1014 0.0993 -0.0142 -0.0100 -0.0001 4 PHE A CD2 30 C CE1 . PHE A 4 ? 0.1150 0.0932 0.0922 -0.0224 -0.0167 -0.0091 4 PHE A CE1 31 C CE2 . PHE A 4 ? 0.0952 0.1184 0.1093 -0.0093 -0.0206 -0.0109 4 PHE A CE2 32 C CZ . PHE A 4 ? 0.0975 0.1084 0.0961 -0.0218 -0.0050 -0.0099 4 PHE A CZ 33 N N . ARG A 5 ? 0.1268 0.0775 0.1228 -0.0149 -0.0416 -0.0079 5 ARG A N 34 C CA . ARG A 5 ? 0.1254 0.0905 0.1184 -0.0280 -0.0465 -0.0076 5 ARG A CA 35 C C . ARG A 5 ? 0.1307 0.0892 0.1183 -0.0335 -0.0416 -0.0122 5 ARG A C 36 O O . ARG A 5 ? 0.1802 0.0892 0.1250 -0.0240 -0.0645 -0.0087 5 ARG A O 37 C CB . ARG A 5 ? 0.1341 0.1230 0.1267 -0.0214 -0.0401 0.0033 5 ARG A CB 38 C CG . ARG A 5 ? 0.1360 0.1637 0.1658 0.0029 -0.0335 0.0302 5 ARG A CG 39 C CD . ARG A 5 ? 0.1639 0.1620 0.1662 -0.0023 -0.0320 0.0217 5 ARG A CD 40 N NE . ARG A 5 ? 0.1622 0.1635 0.2442 -0.0175 -0.0355 0.0324 5 ARG A NE 41 C CZ . ARG A 5 ? 0.1741 0.1791 0.2594 -0.0027 -0.0408 0.0371 5 ARG A CZ 42 N NH1 . ARG A 5 ? 0.1738 0.2028 0.3115 -0.0077 -0.0147 0.0079 5 ARG A NH1 43 N NH2 . ARG A 5 ? 0.1869 0.2026 0.3034 0.0287 -0.0281 0.0493 5 ARG A NH2 44 N N . PRO A 6 ? 0.1279 0.0861 0.1158 -0.0285 -0.0335 -0.0095 6 PRO A N 45 C CA . PRO A 6 ? 0.1236 0.0850 0.1174 -0.0195 -0.0228 -0.0071 6 PRO A CA 46 C C . PRO A 6 ? 0.1265 0.0804 0.0913 -0.0169 -0.0207 -0.0250 6 PRO A C 47 O O . PRO A 6 ? 0.1250 0.1021 0.1073 -0.0174 -0.0095 -0.0299 6 PRO A O 48 C CB . PRO A 6 ? 0.1269 0.1056 0.1095 -0.0185 0.0039 -0.0056 6 PRO A CB 49 C CG . PRO A 6 ? 0.1358 0.1033 0.0989 -0.0219 -0.0122 -0.0194 6 PRO A CG 50 C CD . PRO A 6 ? 0.1199 0.1021 0.1085 -0.0176 -0.0258 -0.0201 6 PRO A CD 51 N N . SER A 7 ? 0.1349 0.0862 0.0906 -0.0162 -0.0133 -0.0236 7 SER A N 52 C CA . SER A 7 ? 0.1620 0.0977 0.0886 -0.0107 0.0080 -0.0275 7 SER A CA 53 C C . SER A 7 ? 0.1224 0.0845 0.0675 -0.0082 -0.0013 -0.0092 7 SER A C 54 O O . SER A 7 ? 0.1293 0.0884 0.0801 -0.0041 0.0083 -0.0066 7 SER A O 55 C CB . SER A 7 ? 0.2468 0.1751 0.0853 -0.0596 -0.0065 -0.0330 7 SER A CB 56 O OG . SER A 7 ? 0.2480 0.3315 0.1623 -0.0550 -0.0700 0.0618 7 SER A OG 57 N N . ALA A 8 ? 0.1065 0.0814 0.0762 -0.0112 -0.0052 -0.0098 8 ALA A N 58 C CA . ALA A 8 ? 0.0977 0.0772 0.0775 -0.0084 -0.0008 -0.0079 8 ALA A CA 59 C C . ALA A 8 ? 0.0942 0.0694 0.0736 -0.0047 -0.0114 -0.0044 8 ALA A C 60 O O . ALA A 8 ? 0.1039 0.0822 0.0738 -0.0201 -0.0093 -0.0078 8 ALA A O 61 C CB . ALA A 8 ? 0.1452 0.1038 0.0934 0.0049 0.0174 0.0114 8 ALA A CB 62 N N . LEU A 9 ? 0.0852 0.0744 0.0686 -0.0186 -0.0015 -0.0034 9 LEU A N 63 C CA . LEU A 9 ? 0.0870 0.0732 0.0725 -0.0166 0.0021 0.0011 9 LEU A CA 64 C C . LEU A 9 ? 0.0815 0.0725 0.0619 -0.0167 -0.0101 0.0020 9 LEU A C 65 O O . LEU A 9 ? 0.0980 0.0739 0.0864 -0.0195 0.0168 -0.0064 9 LEU A O 66 C CB . LEU A 9 ? 0.0792 0.0830 0.0700 -0.0102 0.0044 -0.0072 9 LEU A CB 67 C CG . LEU A 9 ? 0.0968 0.0831 0.0785 -0.0099 0.0004 -0.0042 9 LEU A CG 68 C CD1 . LEU A 9 ? 0.1028 0.1093 0.0840 -0.0068 -0.0014 0.0081 9 LEU A CD1 69 C CD2 . LEU A 9 ? 0.1017 0.0854 0.1045 -0.0114 -0.0119 -0.0008 9 LEU A CD2 70 N N . VAL A 10 ? 0.0885 0.0748 0.0755 -0.0211 0.0015 -0.0036 10 VAL A N 71 C CA . VAL A 10 ? 0.0887 0.0712 0.0751 -0.0127 -0.0037 -0.0010 10 VAL A CA 72 C C . VAL A 10 ? 0.0851 0.0706 0.0735 -0.0171 -0.0026 0.0019 10 VAL A C 73 O O . VAL A 10 ? 0.1019 0.0898 0.0786 -0.0409 0.0028 -0.0009 10 VAL A O 74 C CB . VAL A 10 ? 0.0949 0.0932 0.0796 -0.0140 -0.0074 0.0044 10 VAL A CB 75 C CG1 . VAL A 10 ? 0.0900 0.1072 0.0973 -0.0139 -0.0115 -0.0010 10 VAL A CG1 76 C CG2 . VAL A 10 ? 0.1022 0.1039 0.1044 -0.0006 -0.0210 -0.0086 10 VAL A CG2 77 N N . VAL A 11 ? 0.0736 0.0772 0.0662 -0.0200 0.0024 0.0015 11 VAL A N 78 C CA . VAL A 11 ? 0.0819 0.0740 0.0661 -0.0123 0.0047 0.0010 11 VAL A CA 79 C C . VAL A 11 ? 0.0741 0.0727 0.0669 -0.0151 -0.0021 0.0061 11 VAL A C 80 O O . VAL A 11 ? 0.0800 0.0735 0.0732 -0.0121 0.0016 0.0102 11 VAL A O 81 C CB . VAL A 11 ? 0.0837 0.0813 0.0662 -0.0083 0.0013 0.0093 11 VAL A CB 82 C CG1 . VAL A 11 ? 0.0920 0.0885 0.1064 -0.0071 -0.0047 0.0127 11 VAL A CG1 83 C CG2 . VAL A 11 ? 0.0855 0.0924 0.0800 -0.0127 0.0024 0.0040 11 VAL A CG2 84 N N . PRO A 12 ? 0.0728 0.0812 0.0689 -0.0056 0.0000 0.0082 12 PRO A N 85 C CA . PRO A 12 ? 0.0774 0.0779 0.0722 -0.0024 -0.0051 0.0095 12 PRO A CA 86 C C . PRO A 12 ? 0.0794 0.0834 0.0781 0.0024 -0.0134 0.0023 12 PRO A C 87 O O . PRO A 12 ? 0.1000 0.0801 0.0885 0.0043 -0.0290 -0.0022 12 PRO A O 88 C CB . PRO A 12 ? 0.0805 0.1009 0.0919 0.0027 0.0089 0.0143 12 PRO A CB 89 C CG . PRO A 12 ? 0.0886 0.1034 0.0826 -0.0046 0.0151 0.0098 12 PRO A CG 90 C CD . PRO A 12 ? 0.0780 0.0889 0.0785 -0.0075 0.0069 0.0116 12 PRO A CD 91 N N . VAL A 13 ? 0.0841 0.0809 0.0754 -0.0026 -0.0141 0.0044 13 VAL A N 92 C CA . VAL A 13 ? 0.0872 0.0824 0.0707 -0.0027 -0.0111 0.0000 13 VAL A CA 93 C C . VAL A 13 ? 0.0892 0.0847 0.0756 0.0065 -0.0119 0.0028 13 VAL A C 94 O O . VAL A 13 ? 0.1231 0.0995 0.0898 0.0252 -0.0257 0.0000 13 VAL A O 95 C CB . VAL A 13 ? 0.0984 0.0970 0.0787 -0.0143 -0.0001 -0.0068 13 VAL A CB 96 C CG1 . VAL A 13 ? 0.1005 0.1067 0.1034 -0.0203 0.0005 -0.0106 13 VAL A CG1 97 C CG2 . VAL A 13 ? 0.1053 0.1165 0.1039 0.0047 -0.0024 -0.0027 13 VAL A CG2 98 N N . LYS A 14 ? 0.0851 0.0905 0.0755 0.0132 -0.0097 0.0020 14 LYS A N 99 C CA . LYS A 14 ? 0.0987 0.1060 0.0920 0.0223 -0.0057 -0.0015 14 LYS A CA 100 C C . LYS A 14 ? 0.0812 0.0995 0.0841 0.0302 0.0051 -0.0073 14 LYS A C 101 O O . LYS A 14 ? 0.1079 0.0935 0.0918 0.0282 -0.0148 -0.0111 14 LYS A O 102 C CB . LYS A 14 ? 0.0923 0.1483 0.1240 0.0160 0.0036 -0.0064 14 LYS A CB 103 C CG . LYS A 14 ? 0.1116 0.1636 0.1400 0.0274 0.0069 -0.0157 14 LYS A CG 104 C CD . LYS A 14 ? 0.1274 0.1805 0.1827 0.0379 0.0293 0.0124 14 LYS A CD 105 C CE . LYS A 14 ? 0.1782 0.2267 0.1854 0.0186 0.0287 0.0007 14 LYS A CE 106 N NZ . LYS A 14 ? 0.1801 0.2510 0.2519 0.0201 0.0507 0.0312 14 LYS A NZ 107 N N . LYS A 15 ? 0.0721 0.1030 0.0873 0.0204 -0.0074 -0.0026 15 LYS A N 108 C CA . LYS A 15 ? 0.0825 0.0953 0.0776 0.0221 0.0027 -0.0074 15 LYS A CA 109 C C . LYS A 15 ? 0.0829 0.0831 0.0901 0.0186 0.0048 0.0020 15 LYS A C 110 O O . LYS A 15 ? 0.0795 0.1454 0.0939 0.0322 0.0124 -0.0079 15 LYS A O 111 C CB . LYS A 15 ? 0.0932 0.1084 0.0894 0.0148 0.0096 0.0010 15 LYS A CB 112 C CG . LYS A 15 ? 0.1067 0.1285 0.0878 -0.0025 0.0086 0.0058 15 LYS A CG 113 C CD . LYS A 15 ? 0.1427 0.1408 0.1109 -0.0187 0.0147 0.0176 15 LYS A CD 114 C CE . LYS A 15 ? 0.1800 0.1731 0.1628 -0.0536 -0.0047 0.0338 15 LYS A CE 115 N NZ . LYS A 15 ? 0.2820 0.1394 0.1572 -0.0339 0.0319 -0.0091 15 LYS A NZ 116 N N . ASP A 16 ? 0.0777 0.0873 0.0806 0.0173 0.0099 -0.0036 16 ASP A N 117 C CA . ASP A 16 ? 0.0894 0.0957 0.0862 0.0123 0.0147 -0.0047 16 ASP A CA 118 C C . ASP A 16 ? 0.0988 0.0945 0.0807 0.0134 0.0191 -0.0023 16 ASP A C 119 O O . ASP A 16 ? 0.1059 0.0813 0.1027 0.0106 0.0208 -0.0174 16 ASP A O 120 C CB . ASP A 16 ? 0.1033 0.0996 0.0836 0.0107 0.0095 -0.0007 16 ASP A CB 121 C CG . ASP A 16 ? 0.1174 0.1191 0.0860 0.0179 0.0178 0.0042 16 ASP A CG 122 O OD1 . ASP A 16 ? 0.1375 0.1838 0.1102 -0.0130 0.0313 0.0062 16 ASP A OD1 123 O OD2 . ASP A 16 ? 0.1404 0.1131 0.0846 0.0052 0.0237 -0.0027 16 ASP A OD2 124 N N . ALA A 17 ? 0.0980 0.1151 0.1048 0.0176 0.0230 -0.0180 17 ALA A N 125 C CA . ALA A 17 ? 0.1348 0.1161 0.1241 0.0425 0.0210 -0.0086 17 ALA A CA 126 C C . ALA A 17 ? 0.1281 0.1075 0.1235 0.0384 0.0286 -0.0188 17 ALA A C 127 O O . ALA A 17 ? 0.1849 0.1097 0.1513 0.0204 0.0229 -0.0102 17 ALA A O 128 C CB . ALA A 17 ? 0.1483 0.1491 0.1594 0.0695 0.0289 -0.0298 17 ALA A CB 129 N N . SER A 18 ? 0.1369 0.1205 0.1200 0.0274 0.0287 -0.0162 18 SER A N 130 C CA A SER A 18 ? 0.1545 0.1577 0.1114 0.0423 0.0274 -0.0482 18 SER A CA 131 C CA B SER A 18 ? 0.1554 0.1594 0.1166 0.0432 0.0236 -0.0487 18 SER A CA 132 C C . SER A 18 ? 0.1518 0.1103 0.1101 0.0328 0.0165 -0.0288 18 SER A C 133 O O . SER A 18 ? 0.1821 0.1176 0.2162 0.0307 0.0029 -0.0607 18 SER A O 134 C CB A SER A 18 ? 0.1787 0.2816 0.1052 0.0147 0.0596 -0.0465 18 SER A CB 135 C CB B SER A 18 ? 0.2036 0.2670 0.1166 -0.0031 0.0464 -0.0472 18 SER A CB 136 O OG A SER A 18 ? 0.2511 0.2702 0.1665 0.0352 0.0014 -0.0484 18 SER A OG 137 O OG B SER A 18 ? 0.2343 0.3000 0.2048 0.0227 0.0684 -0.0316 18 SER A OG 138 N N . THR A 19 ? 0.1198 0.0908 0.0836 0.0192 0.0255 -0.0151 19 THR A N 139 C CA . THR A 19 ? 0.1187 0.0781 0.0844 0.0041 0.0087 -0.0138 19 THR A CA 140 C C . THR A 19 ? 0.1045 0.0604 0.0912 0.0145 0.0131 -0.0103 19 THR A C 141 O O . THR A 19 ? 0.1063 0.0870 0.0913 0.0104 0.0081 -0.0083 19 THR A O 142 C CB . THR A 19 ? 0.1212 0.0937 0.0879 0.0097 0.0032 -0.0064 19 THR A CB 143 O OG1 . THR A 19 ? 0.1252 0.0782 0.0838 0.0058 0.0200 -0.0079 19 THR A OG1 144 C CG2 . THR A 19 ? 0.1698 0.1187 0.0835 -0.0004 0.0125 -0.0003 19 THR A CG2 145 N N . LEU A 20 ? 0.0930 0.0700 0.0818 0.0140 0.0191 -0.0094 20 LEU A N 146 C CA . LEU A 20 ? 0.0995 0.0629 0.0838 0.0135 0.0169 0.0035 20 LEU A CA 147 C C . LEU A 20 ? 0.0947 0.0688 0.0711 0.0151 0.0106 0.0026 20 LEU A C 148 O O . LEU A 20 ? 0.1194 0.0705 0.0770 0.0208 0.0221 0.0070 20 LEU A O 149 C CB . LEU A 20 ? 0.1134 0.0614 0.0996 0.0125 0.0307 0.0074 20 LEU A CB 150 C CG . LEU A 20 ? 0.1533 0.0674 0.1222 0.0116 0.0308 -0.0066 20 LEU A CG 151 C CD1 . LEU A 20 ? 0.2086 0.0721 0.1703 0.0047 0.0674 -0.0181 20 LEU A CD1 152 C CD2 . LEU A 20 ? 0.1650 0.0918 0.1732 0.0466 0.0304 -0.0127 20 LEU A CD2 153 N N . GLN A 21 ? 0.0995 0.0619 0.0670 0.0107 0.0116 0.0003 21 GLN A N 154 C CA . GLN A 21 ? 0.0754 0.0625 0.0661 0.0097 0.0074 -0.0023 21 GLN A CA 155 C C . GLN A 21 ? 0.0729 0.0625 0.0629 0.0055 0.0120 0.0037 21 GLN A C 156 O O . GLN A 21 ? 0.0794 0.1195 0.0805 0.0205 0.0081 -0.0209 21 GLN A O 157 C CB . GLN A 21 ? 0.0847 0.0614 0.0702 0.0092 0.0043 -0.0013 21 GLN A CB 158 C CG . GLN A 21 ? 0.0973 0.0788 0.0744 0.0086 -0.0055 0.0049 21 GLN A CG 159 C CD . GLN A 21 ? 0.1092 0.0678 0.0654 0.0122 -0.0061 -0.0008 21 GLN A CD 160 O OE1 . GLN A 21 ? 0.1343 0.0696 0.0697 0.0063 -0.0152 0.0047 21 GLN A OE1 161 N NE2 . GLN A 21 ? 0.1277 0.0714 0.0789 0.0096 -0.0247 -0.0063 21 GLN A NE2 162 N N . TYR A 22 ? 0.0683 0.0583 0.0546 0.0029 0.0093 0.0046 22 TYR A N 163 C CA . TYR A 22 ? 0.0682 0.0593 0.0633 0.0021 0.0062 0.0026 22 TYR A CA 164 C C . TYR A 22 ? 0.0710 0.0575 0.0700 0.0039 0.0075 0.0011 22 TYR A C 165 O O . TYR A 22 ? 0.0708 0.0622 0.1069 0.0035 0.0034 0.0119 22 TYR A O 166 C CB . TYR A 22 ? 0.0760 0.0785 0.0617 0.0020 0.0047 -0.0045 22 TYR A CB 167 C CG . TYR A 22 ? 0.0714 0.0813 0.0631 0.0008 0.0107 0.0066 22 TYR A CG 168 C CD1 . TYR A 22 ? 0.0755 0.0788 0.0617 0.0014 0.0021 -0.0035 22 TYR A CD1 169 C CD2 . TYR A 22 ? 0.0805 0.0898 0.0647 -0.0051 -0.0015 0.0198 22 TYR A CD2 170 C CE1 . TYR A 22 ? 0.0774 0.0837 0.0644 0.0075 0.0010 0.0065 22 TYR A CE1 171 C CE2 . TYR A 22 ? 0.0808 0.1043 0.0861 -0.0194 -0.0045 0.0272 22 TYR A CE2 172 C CZ . TYR A 22 ? 0.0908 0.0945 0.0682 -0.0092 0.0022 0.0243 22 TYR A CZ 173 O OH . TYR A 22 ? 0.0997 0.0910 0.0936 -0.0185 -0.0022 0.0288 22 TYR A OH 174 N N . VAL A 23 ? 0.0722 0.0608 0.0655 0.0047 -0.0044 0.0094 23 VAL A N 175 C CA . VAL A 23 ? 0.0778 0.0608 0.0678 0.0007 0.0026 0.0089 23 VAL A CA 176 C C . VAL A 23 ? 0.0645 0.0745 0.0709 -0.0003 0.0026 0.0108 23 VAL A C 177 O O . VAL A 23 ? 0.0740 0.0799 0.0816 0.0050 -0.0129 0.0039 23 VAL A O 178 C CB . VAL A 23 ? 0.0849 0.0759 0.0681 0.0016 0.0049 0.0075 23 VAL A CB 179 C CG1 . VAL A 23 ? 0.1143 0.0829 0.0704 -0.0079 0.0147 0.0131 23 VAL A CG1 180 C CG2 . VAL A 23 ? 0.1256 0.0908 0.0768 -0.0006 0.0109 -0.0062 23 VAL A CG2 181 N N . THR A 24 ? 0.0595 0.0668 0.0676 -0.0058 -0.0061 0.0071 24 THR A N 182 C CA . THR A 24 ? 0.0728 0.0719 0.0621 -0.0045 -0.0084 0.0056 24 THR A CA 183 C C . THR A 24 ? 0.0657 0.0709 0.0738 -0.0026 -0.0101 0.0062 24 THR A C 184 O O . THR A 24 ? 0.0882 0.0803 0.0752 -0.0188 -0.0039 0.0131 24 THR A O 185 C CB . THR A 24 ? 0.0819 0.0717 0.0670 -0.0037 -0.0050 -0.0025 24 THR A CB 186 O OG1 . THR A 24 ? 0.0963 0.0784 0.0811 0.0000 -0.0092 -0.0119 24 THR A OG1 187 C CG2 . THR A 24 ? 0.0955 0.0945 0.0817 0.0004 -0.0109 0.0014 24 THR A CG2 188 N N . THR A 25 ? 0.1111 0.0764 0.0781 -0.0195 -0.0226 0.0174 25 THR A N 189 C CA . THR A 25 ? 0.1139 0.0818 0.0946 -0.0271 -0.0162 0.0246 25 THR A CA 190 C C . THR A 25 ? 0.1143 0.0820 0.0869 -0.0343 -0.0191 0.0217 25 THR A C 191 O O . THR A 25 ? 0.1676 0.0863 0.0937 -0.0312 -0.0328 0.0191 25 THR A O 192 C CB . THR A 25 ? 0.1164 0.1155 0.1452 -0.0211 -0.0188 0.0303 25 THR A CB 193 O OG1 . THR A 25 ? 0.1199 0.1279 0.1717 -0.0032 -0.0060 0.0377 25 THR A OG1 194 C CG2 . THR A 25 ? 0.1267 0.1343 0.1923 -0.0372 -0.0053 0.0497 25 THR A CG2 195 N N . ILE A 26 ? 0.0997 0.0786 0.0869 -0.0273 -0.0215 0.0147 26 ILE A N 196 C CA . ILE A 26 ? 0.0881 0.0858 0.0801 -0.0300 -0.0109 0.0081 26 ILE A CA 197 C C . ILE A 26 ? 0.0891 0.0772 0.0804 -0.0180 -0.0088 0.0111 26 ILE A C 198 O O . ILE A 26 ? 0.1652 0.0892 0.0876 -0.0443 0.0135 0.0050 26 ILE A O 199 C CB . ILE A 26 ? 0.0913 0.1040 0.0890 -0.0247 -0.0036 0.0044 26 ILE A CB 200 C CG1 . ILE A 26 ? 0.0957 0.0944 0.0906 -0.0252 -0.0043 0.0061 26 ILE A CG1 201 C CG2 . ILE A 26 ? 0.1276 0.1205 0.0867 -0.0307 0.0114 0.0119 26 ILE A CG2 202 C CD1 . ILE A 26 ? 0.1005 0.1001 0.1235 -0.0205 -0.0052 -0.0126 26 ILE A CD1 203 N N . ASN A 27 ? 0.0818 0.0750 0.0661 -0.0141 -0.0157 0.0161 27 ASN A N 204 C CA . ASN A 27 ? 0.0693 0.0750 0.0711 -0.0119 -0.0067 0.0128 27 ASN A CA 205 C C . ASN A 27 ? 0.0703 0.0639 0.0657 -0.0178 -0.0091 0.0040 27 ASN A C 206 O O . ASN A 27 ? 0.0842 0.0786 0.0680 -0.0156 -0.0019 0.0036 27 ASN A O 207 C CB . ASN A 27 ? 0.0830 0.0935 0.0872 -0.0242 -0.0188 0.0190 27 ASN A CB 208 C CG . ASN A 27 ? 0.0704 0.1340 0.1231 -0.0331 -0.0334 0.0226 27 ASN A CG 209 O OD1 . ASN A 27 ? 0.2129 0.1870 0.1908 0.0077 -0.0180 0.0397 27 ASN A OD1 210 N ND2 . ASN A 27 ? 0.1734 0.2456 0.1655 0.0548 0.0119 0.0033 27 ASN A ND2 211 N N . GLN A 28 ? 0.0669 0.0630 0.0722 -0.0071 -0.0015 0.0079 28 GLN A N 212 C CA . GLN A 28 ? 0.0641 0.0555 0.0717 -0.0073 0.0007 0.0042 28 GLN A CA 213 C C . GLN A 28 ? 0.0648 0.0624 0.0665 -0.0100 -0.0039 0.0034 28 GLN A C 214 O O . GLN A 28 ? 0.0664 0.0669 0.0761 -0.0108 0.0015 0.0093 28 GLN A O 215 C CB . GLN A 28 ? 0.0706 0.0601 0.0624 -0.0102 -0.0026 0.0053 28 GLN A CB 216 C CG . GLN A 28 ? 0.0696 0.0621 0.0660 -0.0108 -0.0044 0.0022 28 GLN A CG 217 C CD . GLN A 28 ? 0.0595 0.0671 0.0680 -0.0104 0.0059 0.0033 28 GLN A CD 218 O OE1 . GLN A 28 ? 0.0664 0.0717 0.0886 -0.0114 0.0064 0.0152 28 GLN A OE1 219 N NE2 . GLN A 28 ? 0.0679 0.0792 0.0845 -0.0147 -0.0092 0.0005 28 GLN A NE2 220 N N . ARG A 29 ? 0.0629 0.0624 0.0651 -0.0083 0.0008 0.0015 29 ARG A N 221 C CA . ARG A 29 ? 0.0639 0.0610 0.0755 -0.0108 -0.0016 0.0091 29 ARG A CA 222 C C . ARG A 29 ? 0.0627 0.0589 0.0871 -0.0112 -0.0003 0.0002 29 ARG A C 223 O O . ARG A 29 ? 0.0789 0.0698 0.0966 -0.0136 -0.0166 0.0011 29 ARG A O 224 C CB . ARG A 29 ? 0.0626 0.0636 0.0676 -0.0179 -0.0040 0.0090 29 ARG A CB 225 C CG . ARG A 29 ? 0.0654 0.0657 0.0665 -0.0139 -0.0049 0.0040 29 ARG A CG 226 C CD . ARG A 29 ? 0.0674 0.0602 0.0745 -0.0120 0.0022 0.0070 29 ARG A CD 227 N NE . ARG A 29 ? 0.0764 0.0674 0.0696 -0.0205 -0.0029 0.0073 29 ARG A NE 228 C CZ . ARG A 29 ? 0.0836 0.0620 0.0720 -0.0149 -0.0022 0.0094 29 ARG A CZ 229 N NH1 . ARG A 29 ? 0.1033 0.0665 0.0725 -0.0165 0.0063 0.0023 29 ARG A NH1 230 N NH2 . ARG A 29 ? 0.0965 0.0653 0.0811 -0.0261 0.0011 0.0050 29 ARG A NH2 231 N N . THR A 30 ? 0.0668 0.0662 0.0999 -0.0232 -0.0096 0.0078 30 THR A N 232 C CA . THR A 30 ? 0.0620 0.0676 0.1302 -0.0212 -0.0055 0.0069 30 THR A CA 233 C C . THR A 30 ? 0.0648 0.0664 0.1352 -0.0235 -0.0038 0.0068 30 THR A C 234 O O . THR A 30 ? 0.0733 0.0753 0.1176 -0.0251 -0.0008 0.0107 30 THR A O 235 C CB . THR A 30 ? 0.0750 0.0656 0.1301 -0.0166 -0.0187 -0.0004 30 THR A CB 236 O OG1 . THR A 30 ? 0.0945 0.0854 0.1204 -0.0190 -0.0129 -0.0010 30 THR A OG1 237 C CG2 . THR A 30 ? 0.1056 0.0745 0.1804 -0.0366 -0.0090 -0.0120 30 THR A CG2 238 N N . PRO A 31 ? 0.0687 0.0727 0.1492 -0.0214 0.0035 0.0127 31 PRO A N 239 C CA . PRO A 31 ? 0.0701 0.0766 0.1668 -0.0228 -0.0120 0.0044 31 PRO A CA 240 C C . PRO A 31 ? 0.0604 0.0761 0.1336 -0.0134 -0.0056 0.0022 31 PRO A C 241 O O . PRO A 31 ? 0.0742 0.0722 0.1176 -0.0256 -0.0118 0.0126 31 PRO A O 242 C CB . PRO A 31 ? 0.0819 0.0860 0.1894 -0.0150 0.0098 0.0142 31 PRO A CB 243 C CG . PRO A 31 ? 0.0834 0.1066 0.1847 -0.0198 0.0281 -0.0022 31 PRO A CG 244 C CD . PRO A 31 ? 0.0900 0.1017 0.1669 -0.0212 0.0196 -0.0039 31 PRO A CD 245 N N . LEU A 32 ? 0.0789 0.0842 0.1346 -0.0168 -0.0194 -0.0127 32 LEU A N 246 C CA A LEU A 32 ? 0.0796 0.0919 0.1151 -0.0034 -0.0135 -0.0041 32 LEU A CA 247 C CA B LEU A 32 ? 0.0803 0.0942 0.1104 -0.0058 -0.0102 -0.0055 32 LEU A CA 248 C C . LEU A 32 ? 0.0631 0.0856 0.0992 -0.0066 -0.0037 0.0142 32 LEU A C 249 O O . LEU A 32 ? 0.0774 0.0981 0.1319 -0.0091 0.0188 0.0207 32 LEU A O 250 C CB A LEU A 32 ? 0.0869 0.1295 0.1185 -0.0246 -0.0101 -0.0142 32 LEU A CB 251 C CB B LEU A 32 ? 0.0770 0.1652 0.1199 0.0073 -0.0261 -0.0168 32 LEU A CB 252 C CG A LEU A 32 ? 0.0758 0.0939 0.1235 -0.0208 -0.0262 -0.0004 32 LEU A CG 253 C CG B LEU A 32 ? 0.1185 0.1568 0.1173 -0.0255 -0.0072 -0.0251 32 LEU A CG 254 C CD1 A LEU A 32 ? 0.0760 0.0924 0.0880 -0.0363 -0.0052 0.0020 32 LEU A CD1 255 C CD1 B LEU A 32 ? 0.1217 0.2264 0.1568 -0.0375 -0.0155 0.0235 32 LEU A CD1 256 C CD2 A LEU A 32 ? 0.0886 0.2706 0.1354 -0.0702 -0.0392 0.0192 32 LEU A CD2 257 C CD2 B LEU A 32 ? 0.1092 0.1895 0.0979 -0.0257 -0.0050 0.0219 32 LEU A CD2 258 N N . VAL A 33 ? 0.0730 0.0767 0.1006 0.0003 0.0057 0.0134 33 VAL A N 259 C CA . VAL A 33 ? 0.0890 0.0767 0.1010 -0.0013 0.0185 0.0163 33 VAL A CA 260 C C . VAL A 33 ? 0.0922 0.0820 0.0908 0.0065 0.0183 0.0208 33 VAL A C 261 O O . VAL A 33 ? 0.1181 0.0930 0.1245 0.0244 0.0505 0.0420 33 VAL A O 262 C CB . VAL A 33 ? 0.1205 0.0839 0.1025 -0.0124 0.0082 0.0110 33 VAL A CB 263 C CG1 . VAL A 33 ? 0.1638 0.1035 0.1109 -0.0113 0.0222 0.0259 33 VAL A CG1 264 C CG2 . VAL A 33 ? 0.1096 0.1200 0.1086 0.0014 0.0002 -0.0016 33 VAL A CG2 265 N N . SER A 34 ? 0.0764 0.0758 0.0974 0.0008 0.0101 0.0178 34 SER A N 266 C CA A SER A 34 ? 0.0902 0.0756 0.0965 0.0016 0.0059 0.0198 34 SER A CA 267 C CA B SER A 34 ? 0.0880 0.0747 0.1013 0.0016 0.0102 0.0178 34 SER A CA 268 C C . SER A 34 ? 0.0962 0.0887 0.0979 -0.0105 0.0211 0.0103 34 SER A C 269 O O . SER A 34 ? 0.1471 0.1583 0.1117 -0.0571 0.0420 -0.0194 34 SER A O 270 C CB A SER A 34 ? 0.1078 0.0877 0.1073 0.0063 0.0053 0.0329 34 SER A CB 271 C CB B SER A 34 ? 0.1120 0.1079 0.1338 0.0216 0.0077 0.0247 34 SER A CB 272 O OG A SER A 34 ? 0.1100 0.0981 0.1336 0.0207 0.0158 0.0510 34 SER A OG 273 O OG B SER A 34 ? 0.1605 0.1689 0.1847 -0.0039 -0.0273 0.0219 34 SER A OG 274 N N . GLU A 35 ? 0.0899 0.0740 0.0820 -0.0031 0.0131 0.0141 35 GLU A N 275 C CA . GLU A 35 ? 0.0879 0.0802 0.0839 -0.0046 0.0102 0.0216 35 GLU A CA 276 C C . GLU A 35 ? 0.0854 0.0793 0.0803 -0.0076 0.0111 0.0185 35 GLU A C 277 O O . GLU A 35 ? 0.1095 0.0797 0.0803 -0.0059 0.0113 0.0210 35 GLU A O 278 C CB . GLU A 35 ? 0.0902 0.0678 0.0897 -0.0133 0.0067 0.0170 35 GLU A CB 279 C CG . GLU A 35 ? 0.0869 0.0760 0.0785 -0.0141 0.0055 0.0129 35 GLU A CG 280 C CD . GLU A 35 ? 0.0832 0.0677 0.0822 -0.0138 0.0016 0.0096 35 GLU A CD 281 O OE1 . GLU A 35 ? 0.0830 0.0733 0.0793 -0.0172 -0.0051 0.0097 35 GLU A OE1 282 O OE2 . GLU A 35 ? 0.0918 0.0807 0.0814 -0.0133 0.0028 0.0163 35 GLU A OE2 283 N N . ASN A 36 ? 0.0760 0.0785 0.0812 -0.0040 0.0202 0.0209 36 ASN A N 284 C CA . ASN A 36 ? 0.0693 0.0751 0.0880 -0.0028 0.0121 0.0236 36 ASN A CA 285 C C . ASN A 36 ? 0.0683 0.0634 0.0733 0.0015 0.0110 0.0117 36 ASN A C 286 O O . ASN A 36 ? 0.0752 0.0938 0.0763 0.0071 0.0148 0.0209 36 ASN A O 287 C CB . ASN A 36 ? 0.0769 0.0828 0.1201 0.0054 0.0311 0.0188 36 ASN A CB 288 C CG . ASN A 36 ? 0.0841 0.1120 0.1905 0.0012 0.0251 0.0096 36 ASN A CG 289 O OD1 . ASN A 36 ? 0.0798 0.1610 0.2365 -0.0187 -0.0145 -0.0130 36 ASN A OD1 290 N ND2 . ASN A 36 ? 0.1263 0.2102 0.2513 0.0448 0.0094 -0.0423 36 ASN A ND2 291 N N . LEU A 37 ? 0.0618 0.0559 0.0634 0.0000 0.0054 0.0100 37 LEU A N 292 C CA . LEU A 37 ? 0.0626 0.0592 0.0575 -0.0001 0.0018 0.0071 37 LEU A CA 293 C C . LEU A 37 ? 0.0623 0.0576 0.0554 -0.0003 0.0014 0.0000 37 LEU A C 294 O O . LEU A 37 ? 0.0784 0.0682 0.0669 -0.0113 -0.0094 0.0104 37 LEU A O 295 C CB . LEU A 37 ? 0.0583 0.0585 0.0645 0.0007 0.0024 0.0032 37 LEU A CB 296 C CG . LEU A 37 ? 0.0568 0.0597 0.0749 -0.0038 0.0022 -0.0013 37 LEU A CG 297 C CD1 . LEU A 37 ? 0.0974 0.0752 0.0846 0.0019 -0.0133 -0.0115 37 LEU A CD1 298 C CD2 . LEU A 37 ? 0.0809 0.0646 0.0759 -0.0077 -0.0037 0.0100 37 LEU A CD2 299 N N . VAL A 38 ? 0.0652 0.0558 0.0473 -0.0024 0.0015 0.0034 38 VAL A N 300 C CA . VAL A 38 ? 0.0708 0.0526 0.0481 0.0031 0.0024 0.0072 38 VAL A CA 301 C C . VAL A 38 ? 0.0622 0.0451 0.0629 -0.0068 0.0076 0.0074 38 VAL A C 302 O O . VAL A 38 ? 0.0765 0.0616 0.0649 0.0087 0.0051 0.0057 38 VAL A O 303 C CB . VAL A 38 ? 0.0718 0.0607 0.0598 -0.0068 0.0023 0.0013 38 VAL A CB 304 C CG1 . VAL A 38 ? 0.0930 0.0588 0.0710 -0.0112 -0.0046 0.0054 38 VAL A CG1 305 C CG2 . VAL A 38 ? 0.1036 0.0876 0.0672 -0.0193 0.0178 -0.0255 38 VAL A CG2 306 N N . VAL A 39 ? 0.0602 0.0536 0.0584 0.0023 0.0106 0.0011 39 VAL A N 307 C CA . VAL A 39 ? 0.0733 0.0591 0.0614 -0.0027 0.0157 -0.0004 39 VAL A CA 308 C C . VAL A 39 ? 0.0757 0.0537 0.0504 -0.0034 0.0170 0.0011 39 VAL A C 309 O O . VAL A 39 ? 0.0786 0.0541 0.0723 -0.0044 0.0177 0.0003 39 VAL A O 310 C CB . VAL A 39 ? 0.0794 0.0706 0.0604 -0.0093 0.0094 -0.0011 39 VAL A CB 311 C CG1 . VAL A 39 ? 0.0986 0.1228 0.0632 -0.0229 0.0197 -0.0063 39 VAL A CG1 312 C CG2 . VAL A 39 ? 0.0820 0.1182 0.0727 -0.0240 0.0049 -0.0079 39 VAL A CG2 313 N N . ASP A 40 ? 0.0723 0.0545 0.0729 -0.0054 0.0118 -0.0004 40 ASP A N 314 C CA . ASP A 40 ? 0.0711 0.0621 0.0632 0.0012 0.0084 -0.0020 40 ASP A CA 315 C C . ASP A 40 ? 0.0782 0.0517 0.0589 -0.0020 0.0059 -0.0025 40 ASP A C 316 O O . ASP A 40 ? 0.0734 0.0549 0.0608 -0.0019 0.0118 0.0009 40 ASP A O 317 C CB . ASP A 40 ? 0.0818 0.0709 0.0561 0.0023 0.0120 -0.0001 40 ASP A CB 318 C CG . ASP A 40 ? 0.0868 0.0716 0.0677 0.0035 0.0046 -0.0013 40 ASP A CG 319 O OD1 . ASP A 40 ? 0.0843 0.0711 0.0876 -0.0062 0.0006 0.0052 40 ASP A OD1 320 O OD2 . ASP A 40 ? 0.0983 0.0926 0.0837 0.0009 -0.0069 0.0081 40 ASP A OD2 321 N N . LEU A 41 ? 0.0981 0.0507 0.0608 0.0029 0.0129 0.0005 41 LEU A N 322 C CA . LEU A 41 ? 0.0967 0.0671 0.0649 0.0061 0.0152 -0.0050 41 LEU A CA 323 C C . LEU A 41 ? 0.0926 0.0805 0.0635 0.0013 0.0289 0.0061 41 LEU A C 324 O O . LEU A 41 ? 0.1115 0.0930 0.0780 0.0195 0.0213 -0.0033 41 LEU A O 325 C CB . LEU A 41 ? 0.0981 0.0679 0.0864 -0.0044 0.0142 0.0011 41 LEU A CB 326 C CG . LEU A 41 ? 0.0911 0.0816 0.0669 -0.0111 0.0006 0.0087 41 LEU A CG 327 C CD1 . LEU A 41 ? 0.1295 0.0793 0.0794 -0.0190 -0.0019 0.0034 41 LEU A CD1 328 C CD2 . LEU A 41 ? 0.1368 0.0867 0.0789 -0.0154 -0.0030 0.0168 41 LEU A CD2 329 N N . GLY A 42 ? 0.0780 0.0815 0.0998 -0.0020 0.0294 0.0110 42 GLY A N 330 C CA . GLY A 42 ? 0.0722 0.0964 0.1179 -0.0109 0.0189 0.0086 42 GLY A CA 331 C C . GLY A 42 ? 0.0750 0.0961 0.1354 0.0021 0.0232 0.0081 42 GLY A C 332 O O . GLY A 42 ? 0.0814 0.1553 0.1680 0.0130 0.0079 0.0321 42 GLY A O 333 N N . GLY A 43 ? 0.0700 0.0811 0.0935 -0.0061 0.0128 -0.0083 43 GLY A N 334 C CA . GLY A 43 ? 0.0674 0.1043 0.0782 0.0040 0.0036 -0.0160 43 GLY A CA 335 C C . GLY A 43 ? 0.0552 0.0888 0.0704 -0.0075 0.0076 -0.0019 43 GLY A C 336 O O . GLY A 43 ? 0.0798 0.0894 0.0690 0.0099 0.0050 -0.0086 43 GLY A O 337 N N . ARG A 44 ? 0.0689 0.0882 0.0610 -0.0004 0.0074 -0.0025 44 ARG A N 338 C CA . ARG A 44 ? 0.0626 0.0858 0.0677 0.0000 0.0092 0.0039 44 ARG A CA 339 C C . ARG A 44 ? 0.0701 0.0947 0.0678 -0.0084 0.0056 -0.0099 44 ARG A C 340 O O . ARG A 44 ? 0.0769 0.1170 0.1033 -0.0102 0.0134 -0.0355 44 ARG A O 341 C CB . ARG A 44 ? 0.0759 0.0852 0.0654 -0.0104 0.0000 0.0113 44 ARG A CB 342 C CG . ARG A 44 ? 0.0622 0.0931 0.0846 -0.0008 0.0036 0.0086 44 ARG A CG 343 C CD . ARG A 44 ? 0.0823 0.1102 0.1031 0.0013 -0.0143 0.0016 44 ARG A CD 344 N NE . ARG A 44 ? 0.0783 0.1206 0.1196 -0.0015 -0.0071 -0.0074 44 ARG A NE 345 C CZ . ARG A 44 ? 0.0733 0.1040 0.1317 -0.0031 0.0056 -0.0019 44 ARG A CZ 346 N NH1 . ARG A 44 ? 0.0811 0.1612 0.1900 -0.0271 0.0298 -0.0524 44 ARG A NH1 347 N NH2 . ARG A 44 ? 0.1258 0.1129 0.1656 -0.0329 0.0433 -0.0347 44 ARG A NH2 348 N N . PHE A 45 ? 0.0657 0.0783 0.0790 -0.0059 0.0097 0.0048 45 PHE A N 349 C CA . PHE A 45 ? 0.0670 0.0847 0.1161 -0.0057 0.0132 -0.0029 45 PHE A CA 350 C C . PHE A 45 ? 0.0669 0.0545 0.0559 -0.0046 0.0022 0.0001 45 PHE A C 351 O O . PHE A 45 ? 0.0820 0.0590 0.0608 -0.0075 0.0156 -0.0026 45 PHE A O 352 C CB . PHE A 45 ? 0.0891 0.0848 0.1073 0.0069 0.0097 -0.0166 45 PHE A CB 353 C CG . PHE A 45 ? 0.0843 0.0635 0.1053 0.0052 0.0227 0.0129 45 PHE A CG 354 C CD1 . PHE A 45 ? 0.0789 0.0952 0.0962 -0.0088 0.0085 0.0031 45 PHE A CD1 355 C CD2 . PHE A 45 ? 0.0886 0.1107 0.1113 0.0206 0.0164 0.0341 45 PHE A CD2 356 C CE1 . PHE A 45 ? 0.1037 0.1257 0.0895 -0.0044 -0.0019 -0.0019 45 PHE A CE1 357 C CE2 . PHE A 45 ? 0.0935 0.1284 0.1059 0.0253 0.0023 0.0390 45 PHE A CE2 358 C CZ . PHE A 45 ? 0.1086 0.1267 0.1299 -0.0033 -0.0084 -0.0035 45 PHE A CZ 359 N N . LEU A 46 ? 0.0652 0.0551 0.0519 -0.0041 0.0103 -0.0067 46 LEU A N 360 C CA . LEU A 46 ? 0.0620 0.0557 0.0485 -0.0004 0.0065 0.0072 46 LEU A CA 361 C C . LEU A 46 ? 0.0625 0.0511 0.0512 -0.0009 0.0043 -0.0007 46 LEU A C 362 O O . LEU A 46 ? 0.0680 0.0639 0.0546 0.0072 0.0012 0.0020 46 LEU A O 363 C CB . LEU A 46 ? 0.0674 0.0638 0.0563 -0.0024 0.0024 0.0021 46 LEU A CB 364 C CG . LEU A 46 ? 0.0686 0.0783 0.0649 -0.0003 0.0060 0.0065 46 LEU A CG 365 C CD1 . LEU A 46 ? 0.0610 0.0851 0.0811 0.0048 0.0104 0.0055 46 LEU A CD1 366 C CD2 . LEU A 46 ? 0.0667 0.0850 0.0925 -0.0153 0.0001 0.0045 46 LEU A CD2 367 N N . TRP A 47 ? 0.0650 0.0454 0.0469 0.0029 0.0045 0.0082 47 TRP A N 368 C CA . TRP A 47 ? 0.0562 0.0579 0.0492 -0.0029 0.0050 0.0059 47 TRP A CA 369 C C . TRP A 47 ? 0.0519 0.0478 0.0458 -0.0083 -0.0004 -0.0022 47 TRP A C 370 O O . TRP A 47 ? 0.0579 0.0547 0.0558 -0.0010 0.0070 0.0074 47 TRP A O 371 C CB . TRP A 47 ? 0.0555 0.0671 0.0644 -0.0006 0.0006 -0.0008 47 TRP A CB 372 C CG . TRP A 47 ? 0.0573 0.0672 0.0569 -0.0100 -0.0034 0.0006 47 TRP A CG 373 C CD1 . TRP A 47 ? 0.0734 0.0792 0.0632 -0.0171 0.0025 0.0061 47 TRP A CD1 374 C CD2 . TRP A 47 ? 0.0673 0.0624 0.0607 -0.0107 -0.0070 -0.0050 47 TRP A CD2 375 N NE1 . TRP A 47 ? 0.0923 0.0744 0.0749 -0.0250 -0.0086 0.0108 47 TRP A NE1 376 C CE2 . TRP A 47 ? 0.0826 0.0657 0.0688 -0.0117 -0.0159 0.0000 47 TRP A CE2 377 C CE3 . TRP A 47 ? 0.0775 0.0712 0.0571 0.0002 -0.0075 -0.0036 47 TRP A CE3 378 C CZ2 . TRP A 47 ? 0.0999 0.0804 0.0851 -0.0052 -0.0236 -0.0090 47 TRP A CZ2 379 C CZ3 . TRP A 47 ? 0.0865 0.0846 0.0681 0.0044 -0.0068 -0.0188 47 TRP A CZ3 380 C CH2 . TRP A 47 ? 0.0941 0.0737 0.0850 0.0145 -0.0166 -0.0177 47 TRP A CH2 381 N N . VAL A 48 ? 0.0518 0.0515 0.0512 -0.0035 0.0049 0.0028 48 VAL A N 382 C CA . VAL A 48 ? 0.0530 0.0618 0.0537 -0.0024 0.0029 0.0081 48 VAL A CA 383 C C . VAL A 48 ? 0.0563 0.0621 0.0536 -0.0078 0.0050 0.0079 48 VAL A C 384 O O . VAL A 48 ? 0.0609 0.0761 0.0547 -0.0018 0.0058 0.0106 48 VAL A O 385 C CB . VAL A 48 ? 0.0709 0.0809 0.0653 -0.0133 -0.0001 0.0022 48 VAL A CB 386 C CG1 . VAL A 48 ? 0.0714 0.0969 0.0870 -0.0111 0.0099 0.0030 48 VAL A CG1 387 C CG2 . VAL A 48 ? 0.0922 0.1043 0.0699 -0.0402 -0.0098 0.0035 48 VAL A CG2 388 N N . ASP A 49 ? 0.0659 0.0601 0.0527 -0.0020 0.0023 0.0042 49 ASP A N 389 C CA . ASP A 49 ? 0.0745 0.0706 0.0535 -0.0044 0.0001 0.0008 49 ASP A CA 390 C C . ASP A 49 ? 0.0674 0.0699 0.0506 -0.0079 0.0073 0.0003 49 ASP A C 391 O O . ASP A 49 ? 0.0725 0.0767 0.0817 -0.0102 -0.0042 0.0051 49 ASP A O 392 C CB . ASP A 49 ? 0.0790 0.0718 0.0591 -0.0041 0.0061 0.0007 49 ASP A CB 393 C CG . ASP A 49 ? 0.0716 0.0759 0.0573 -0.0133 0.0141 -0.0033 49 ASP A CG 394 O OD1 . ASP A 49 ? 0.1009 0.0802 0.0649 -0.0029 0.0037 0.0013 49 ASP A OD1 395 O OD2 . ASP A 49 ? 0.0856 0.0780 0.0646 -0.0091 0.0059 -0.0079 49 ASP A OD2 396 N N . CYS A 50 ? 0.0685 0.0670 0.0586 -0.0072 0.0023 0.0092 50 CYS A N 397 C CA . CYS A 50 ? 0.0818 0.0668 0.0693 -0.0089 0.0099 0.0090 50 CYS A CA 398 C C . CYS A 50 ? 0.0662 0.0774 0.0679 -0.0080 0.0073 0.0113 50 CYS A C 399 O O . CYS A 50 ? 0.1029 0.0791 0.0815 -0.0206 0.0092 0.0164 50 CYS A O 400 C CB . CYS A 50 ? 0.0934 0.0787 0.0809 -0.0017 0.0191 0.0097 50 CYS A CB 401 S SG . CYS A 50 ? 0.1004 0.0806 0.0768 -0.0090 0.0123 0.0008 50 CYS A SG 402 N N . ASP A 51 ? 0.0924 0.0773 0.0652 -0.0145 0.0091 0.0102 51 ASP A N 403 C CA . ASP A 51 ? 0.1043 0.0930 0.0663 -0.0047 -0.0044 0.0119 51 ASP A CA 404 C C . ASP A 51 ? 0.1106 0.0834 0.0620 -0.0130 0.0049 -0.0008 51 ASP A C 405 O O . ASP A 51 ? 0.1495 0.1292 0.0820 -0.0018 0.0259 0.0248 51 ASP A O 406 C CB . ASP A 51 ? 0.1106 0.1095 0.0818 -0.0139 -0.0041 0.0096 51 ASP A CB 407 C CG . ASP A 51 ? 0.1137 0.1127 0.0919 -0.0162 -0.0124 0.0095 51 ASP A CG 408 O OD1 . ASP A 51 ? 0.1282 0.1238 0.0970 -0.0052 0.0127 0.0032 51 ASP A OD1 409 O OD2 . ASP A 51 ? 0.1185 0.1320 0.1634 -0.0294 -0.0092 -0.0056 51 ASP A OD2 410 N N . GLN A 52 ? 0.0840 0.0942 0.0634 -0.0197 0.0080 0.0079 52 GLN A N 411 C CA . GLN A 52 ? 0.0908 0.0902 0.0758 -0.0227 0.0124 -0.0040 52 GLN A CA 412 C C . GLN A 52 ? 0.0913 0.0636 0.0782 -0.0164 0.0118 0.0021 52 GLN A C 413 O O . GLN A 52 ? 0.1224 0.0834 0.0804 -0.0334 -0.0001 0.0068 52 GLN A O 414 C CB . GLN A 52 ? 0.1044 0.0924 0.0823 -0.0286 0.0251 -0.0100 52 GLN A CB 415 C CG . GLN A 52 ? 0.1052 0.0999 0.0920 -0.0160 0.0179 -0.0143 52 GLN A CG 416 C CD . GLN A 52 ? 0.1036 0.0972 0.0964 -0.0101 0.0097 -0.0038 52 GLN A CD 417 O OE1 . GLN A 52 ? 0.1311 0.1098 0.1086 -0.0037 0.0043 0.0057 52 GLN A OE1 418 N NE2 . GLN A 52 ? 0.1604 0.1060 0.0824 -0.0237 0.0120 -0.0189 52 GLN A NE2 419 N N . ASN A 53 ? 0.0875 0.0807 0.0852 -0.0160 0.0141 0.0018 53 ASN A N 420 C CA . ASN A 53 ? 0.0866 0.0861 0.1107 -0.0230 0.0167 -0.0128 53 ASN A CA 421 C C . ASN A 53 ? 0.0804 0.0694 0.0924 -0.0125 0.0089 0.0023 53 ASN A C 422 O O . ASN A 53 ? 0.0990 0.1271 0.0989 0.0175 -0.0033 -0.0013 53 ASN A O 423 C CB . ASN A 53 ? 0.0986 0.1172 0.1815 -0.0004 0.0083 -0.0355 53 ASN A CB 424 C CG . ASN A 53 ? 0.1079 0.1795 0.2388 0.0028 -0.0013 -0.1054 53 ASN A CG 425 O OD1 . ASN A 53 ? 0.1302 0.3029 0.1794 0.0296 0.0153 -0.1013 53 ASN A OD1 426 N ND2 . ASN A 53 ? 0.1530 0.1759 0.4360 0.0064 0.0168 -0.1642 53 ASN A ND2 427 N N . TYR A 54 ? 0.0876 0.0698 0.0696 -0.0099 -0.0052 0.0010 54 TYR A N 428 C CA . TYR A 54 ? 0.0746 0.0694 0.0701 -0.0163 -0.0038 0.0020 54 TYR A CA 429 C C . TYR A 54 ? 0.0695 0.0687 0.0667 -0.0112 0.0015 -0.0011 54 TYR A C 430 O O . TYR A 54 ? 0.0753 0.0734 0.0815 -0.0141 -0.0054 0.0122 54 TYR A O 431 C CB . TYR A 54 ? 0.0735 0.0650 0.0836 -0.0117 0.0025 0.0048 54 TYR A CB 432 C CG . TYR A 54 ? 0.0504 0.0647 0.0789 -0.0139 -0.0055 0.0036 54 TYR A CG 433 C CD1 . TYR A 54 ? 0.0772 0.0619 0.0815 -0.0216 -0.0010 0.0076 54 TYR A CD1 434 C CD2 . TYR A 54 ? 0.0631 0.0637 0.0787 -0.0132 0.0044 0.0120 54 TYR A CD2 435 C CE1 . TYR A 54 ? 0.0807 0.0690 0.0803 -0.0221 -0.0029 0.0103 54 TYR A CE1 436 C CE2 . TYR A 54 ? 0.0676 0.0648 0.0848 -0.0134 0.0133 0.0035 54 TYR A CE2 437 C CZ . TYR A 54 ? 0.0603 0.0678 0.0800 -0.0128 0.0085 0.0012 54 TYR A CZ 438 O OH . TYR A 54 ? 0.0670 0.0693 0.0805 -0.0121 0.0090 0.0042 54 TYR A OH 439 N N . VAL A 55 ? 0.0693 0.0713 0.0691 -0.0165 0.0033 0.0019 55 VAL A N 440 C CA . VAL A 55 ? 0.0736 0.0686 0.0830 -0.0169 0.0035 0.0012 55 VAL A CA 441 C C . VAL A 55 ? 0.0635 0.0691 0.0837 -0.0158 0.0002 0.0023 55 VAL A C 442 O O . VAL A 55 ? 0.0751 0.0882 0.0975 0.0063 -0.0145 -0.0091 55 VAL A O 443 C CB . VAL A 55 ? 0.0893 0.0782 0.1090 -0.0140 0.0184 0.0065 55 VAL A CB 444 C CG1 . VAL A 55 ? 0.0948 0.0846 0.1596 -0.0200 0.0289 -0.0005 55 VAL A CG1 445 C CG2 . VAL A 55 ? 0.1046 0.1034 0.1107 -0.0166 0.0346 -0.0092 55 VAL A CG2 446 N N . SER A 56 ? 0.0641 0.0659 0.0765 -0.0133 0.0022 0.0046 56 SER A N 447 C CA . SER A 56 ? 0.0690 0.0647 0.0763 -0.0092 0.0055 0.0052 56 SER A CA 448 C C . SER A 56 ? 0.0758 0.0629 0.0792 -0.0133 0.0131 0.0046 56 SER A C 449 O O . SER A 56 ? 0.0872 0.0779 0.1078 -0.0022 -0.0021 0.0042 56 SER A O 450 C CB . SER A 56 ? 0.0683 0.0649 0.0775 -0.0102 0.0014 0.0123 56 SER A CB 451 O OG . SER A 56 ? 0.0788 0.0698 0.0791 -0.0223 0.0103 0.0053 56 SER A OG 452 N N . SER A 57 ? 0.0818 0.0607 0.0938 -0.0216 0.0161 0.0111 57 SER A N 453 C CA . SER A 57 ? 0.0965 0.0622 0.0946 -0.0105 0.0165 0.0102 57 SER A CA 454 C C . SER A 57 ? 0.0889 0.0581 0.1090 -0.0134 0.0195 0.0103 57 SER A C 455 O O . SER A 57 ? 0.1470 0.0742 0.1503 0.0164 0.0558 0.0275 57 SER A O 456 C CB . SER A 57 ? 0.1249 0.0645 0.1195 -0.0318 0.0446 0.0143 57 SER A CB 457 O OG . SER A 57 ? 0.1005 0.0860 0.1486 -0.0354 0.0214 -0.0131 57 SER A OG 458 N N . THR A 58 ? 0.0702 0.0603 0.0866 -0.0144 0.0122 0.0030 58 THR A N 459 C CA . THR A 58 ? 0.0694 0.0708 0.0877 -0.0143 0.0144 -0.0030 58 THR A CA 460 C C . THR A 58 ? 0.0678 0.0771 0.0912 -0.0123 0.0081 0.0067 58 THR A C 461 O O . THR A 58 ? 0.0728 0.1529 0.0935 -0.0234 0.0155 -0.0111 58 THR A O 462 C CB . THR A 58 ? 0.0800 0.0724 0.0871 -0.0216 0.0067 -0.0050 58 THR A CB 463 O OG1 . THR A 58 ? 0.0840 0.0704 0.0969 -0.0219 -0.0059 0.0056 58 THR A OG1 464 C CG2 . THR A 58 ? 0.1151 0.0763 0.1151 -0.0261 0.0027 -0.0165 58 THR A CG2 465 N N . TYR A 59 ? 0.0656 0.0742 0.0926 -0.0183 0.0131 0.0026 59 TYR A N 466 C CA . TYR A 59 ? 0.0687 0.0706 0.0809 -0.0220 0.0068 0.0113 59 TYR A CA 467 C C . TYR A 59 ? 0.0770 0.0619 0.0827 -0.0194 -0.0018 0.0105 59 TYR A C 468 O O . TYR A 59 ? 0.0863 0.0745 0.1049 -0.0212 0.0057 0.0260 59 TYR A O 469 C CB . TYR A 59 ? 0.0745 0.0815 0.0926 -0.0180 0.0159 0.0025 59 TYR A CB 470 C CG . TYR A 59 ? 0.0809 0.0793 0.0849 -0.0113 0.0046 -0.0024 59 TYR A CG 471 C CD1 . TYR A 59 ? 0.0680 0.0863 0.0828 -0.0201 0.0067 0.0073 59 TYR A CD1 472 C CD2 . TYR A 59 ? 0.1254 0.0883 0.1032 -0.0051 -0.0301 0.0008 59 TYR A CD2 473 C CE1 . TYR A 59 ? 0.0688 0.0912 0.0978 -0.0228 0.0155 -0.0057 59 TYR A CE1 474 C CE2 . TYR A 59 ? 0.0834 0.1104 0.0992 0.0057 -0.0177 0.0153 59 TYR A CE2 475 C CZ . TYR A 59 ? 0.0715 0.0988 0.1116 -0.0103 0.0059 -0.0099 59 TYR A CZ 476 O OH . TYR A 59 ? 0.0929 0.1130 0.1251 -0.0153 -0.0147 -0.0187 59 TYR A OH 477 N N . ARG A 60 ? 0.0689 0.0683 0.0966 -0.0079 -0.0007 0.0196 60 ARG A N 478 C CA . ARG A 60 ? 0.0732 0.0807 0.1261 -0.0039 0.0049 0.0289 60 ARG A CA 479 C C . ARG A 60 ? 0.0679 0.0904 0.1113 -0.0060 -0.0007 0.0404 60 ARG A C 480 O O . ARG A 60 ? 0.0822 0.0930 0.1135 -0.0193 -0.0137 0.0428 60 ARG A O 481 C CB . ARG A 60 ? 0.1007 0.1037 0.1585 0.0038 0.0065 -0.0072 60 ARG A CB 482 C CG . ARG A 60 ? 0.1405 0.1345 0.2024 -0.0076 0.0044 -0.0358 60 ARG A CG 483 C CD . ARG A 60 ? 0.1933 0.2066 0.2087 0.0214 0.0042 -0.0524 60 ARG A CD 484 N NE . ARG A 60 ? 0.3335 0.3938 0.2921 -0.0940 0.0018 -0.1155 60 ARG A NE 485 C CZ . ARG A 60 ? 0.3981 0.4136 0.5377 -0.1142 -0.0405 -0.2410 60 ARG A CZ 486 N NH1 . ARG A 60 ? 0.3203 0.4099 0.7212 -0.1540 -0.0993 -0.2729 60 ARG A NH1 487 N NH2 . ARG A 60 ? 0.3159 0.4545 0.7551 -0.1665 -0.0731 -0.1318 60 ARG A NH2 488 N N . PRO A 61 ? 0.0652 0.0968 0.1250 -0.0079 -0.0009 0.0498 61 PRO A N 489 C CA . PRO A 61 ? 0.0676 0.0991 0.1187 -0.0080 -0.0110 0.0326 61 PRO A CA 490 C C . PRO A 61 ? 0.0719 0.0876 0.1254 -0.0140 -0.0039 0.0238 61 PRO A C 491 O O . PRO A 61 ? 0.1001 0.0894 0.1812 -0.0206 0.0190 0.0163 61 PRO A O 492 C CB . PRO A 61 ? 0.0980 0.1486 0.1136 -0.0011 -0.0166 0.0286 61 PRO A CB 493 C CG . PRO A 61 ? 0.1480 0.1686 0.1632 -0.0141 -0.0330 0.0713 61 PRO A CG 494 C CD . PRO A 61 ? 0.1157 0.1238 0.1392 -0.0130 -0.0003 0.0631 61 PRO A CD 495 N N . VAL A 62 ? 0.0645 0.0759 0.1155 -0.0092 0.0009 0.0043 62 VAL A N 496 C CA . VAL A 62 ? 0.0722 0.0817 0.1174 -0.0108 0.0065 -0.0019 62 VAL A CA 497 C C . VAL A 62 ? 0.0731 0.0913 0.1195 0.0038 0.0113 0.0013 62 VAL A C 498 O O . VAL A 62 ? 0.0705 0.0969 0.1220 -0.0069 -0.0012 0.0066 62 VAL A O 499 C CB . VAL A 62 ? 0.0806 0.0782 0.1107 0.0009 0.0134 -0.0030 62 VAL A CB 500 C CG1 . VAL A 62 ? 0.0888 0.1147 0.1218 0.0062 0.0149 0.0005 62 VAL A CG1 501 C CG2 . VAL A 62 ? 0.0891 0.0905 0.1131 0.0073 0.0028 0.0013 62 VAL A CG2 502 N N . ARG A 63 ? 0.0768 0.0951 0.1519 0.0092 0.0011 -0.0048 63 ARG A N 503 C CA . ARG A 63 ? 0.0951 0.1125 0.1489 0.0071 -0.0036 0.0180 63 ARG A CA 504 C C . ARG A 63 ? 0.0979 0.0886 0.1444 0.0145 0.0030 0.0133 63 ARG A C 505 O O . ARG A 63 ? 0.0859 0.1139 0.1436 0.0023 0.0033 0.0052 63 ARG A O 506 C CB . ARG A 63 ? 0.1307 0.1113 0.1971 0.0144 -0.0223 0.0389 63 ARG A CB 507 C CG . ARG A 63 ? 0.1811 0.1429 0.2041 -0.0395 -0.0279 0.0536 63 ARG A CG 508 C CD . ARG A 63 ? 0.1948 0.1352 0.2397 -0.0281 0.0160 0.0490 63 ARG A CD 509 N NE . ARG A 63 ? 0.1986 0.2437 0.2620 -0.0480 0.0056 0.0576 63 ARG A NE 510 C CZ . ARG A 63 ? 0.2105 0.2227 0.2423 -0.0286 0.0025 0.1022 63 ARG A CZ 511 N NH1 . ARG A 63 ? 0.1904 0.1809 0.3243 0.0067 0.0563 0.0028 63 ARG A NH1 512 N NH2 . ARG A 63 ? 0.2678 0.3121 0.3004 -0.1036 0.0150 0.0959 63 ARG A NH2 513 N N . CYS A 64 ? 0.0812 0.1186 0.1401 0.0173 0.0069 0.0188 64 CYS A N 514 C CA . CYS A 64 ? 0.0857 0.1080 0.1566 0.0191 0.0142 0.0138 64 CYS A CA 515 C C . CYS A 64 ? 0.1002 0.1319 0.1550 0.0148 0.0036 0.0033 64 CYS A C 516 O O . CYS A 64 ? 0.1229 0.1212 0.1792 0.0310 0.0115 0.0080 64 CYS A O 517 C CB . CYS A 64 ? 0.0792 0.1356 0.1769 0.0093 0.0133 0.0057 64 CYS A CB 518 S SG . CYS A 64 ? 0.0947 0.1396 0.1651 0.0034 0.0138 0.0177 64 CYS A SG 519 N N . ARG A 65 ? 0.1108 0.1361 0.1664 0.0156 0.0189 0.0025 65 ARG A N 520 C CA . ARG A 65 ? 0.1168 0.1774 0.1866 0.0334 0.0245 -0.0170 65 ARG A CA 521 C C . ARG A 65 ? 0.1478 0.1766 0.1999 0.0344 0.0207 -0.0337 65 ARG A C 522 O O . ARG A 65 ? 0.1913 0.2651 0.3181 0.0940 -0.0057 -0.1123 65 ARG A O 523 C CB . ARG A 65 ? 0.1374 0.2005 0.2119 0.0455 0.0385 0.0049 65 ARG A CB 524 C CG . ARG A 65 ? 0.1711 0.2259 0.2092 0.0698 0.0114 0.0023 65 ARG A CG 525 C CD . ARG A 65 ? 0.1707 0.2938 0.2507 0.0937 0.0226 0.0341 65 ARG A CD 526 N NE . ARG A 65 ? 0.2003 0.3062 0.2248 0.1050 0.0160 0.0671 65 ARG A NE 527 C CZ . ARG A 65 ? 0.2041 0.4269 0.2313 0.1600 0.0840 0.1632 65 ARG A CZ 528 N NH1 . ARG A 65 ? 0.2026 0.4149 0.4396 0.1815 0.0094 0.2779 65 ARG A NH1 529 N NH2 . ARG A 65 ? 0.2454 0.4406 0.4237 0.1947 -0.0624 0.1928 65 ARG A NH2 530 N N . THR A 66 ? 0.1593 0.1277 0.1811 0.0351 -0.0011 -0.0170 66 THR A N 531 C CA . THR A 66 ? 0.1682 0.1261 0.1702 0.0374 0.0021 -0.0253 66 THR A CA 532 C C . THR A 66 ? 0.1423 0.1350 0.1699 0.0199 -0.0037 -0.0307 66 THR A C 533 O O . THR A 66 ? 0.1405 0.1417 0.1689 0.0148 0.0200 -0.0272 66 THR A O 534 C CB . THR A 66 ? 0.1804 0.1160 0.1949 0.0024 0.0017 -0.0097 66 THR A CB 535 O OG1 . THR A 66 ? 0.1470 0.1259 0.1563 0.0149 0.0028 -0.0123 66 THR A OG1 536 C CG2 . THR A 66 ? 0.2353 0.1310 0.1927 0.0019 0.0115 -0.0019 66 THR A CG2 537 N N . SER A 67 ? 0.2229 0.1453 0.1638 0.0256 0.0021 -0.0476 67 SER A N 538 C CA . SER A 67 ? 0.2382 0.1738 0.1521 0.0283 0.0314 -0.0508 67 SER A CA 539 C C . SER A 67 ? 0.1618 0.1466 0.1354 0.0036 0.0112 -0.0331 67 SER A C 540 O O . SER A 67 ? 0.1380 0.1593 0.1302 -0.0038 0.0170 -0.0297 67 SER A O 541 C CB . SER A 67 ? 0.3409 0.2291 0.2007 0.0384 -0.0133 -0.0714 67 SER A CB 542 O OG . SER A 67 ? 0.3517 0.2569 0.2612 -0.0077 -0.0522 -0.0883 67 SER A OG 543 N N . GLN A 68 ? 0.1462 0.1226 0.1377 -0.0168 -0.0075 -0.0056 68 GLN A N 544 C CA . GLN A 68 ? 0.1224 0.1253 0.1223 -0.0070 -0.0077 -0.0001 68 GLN A CA 545 C C . GLN A 68 ? 0.0913 0.1314 0.1096 -0.0037 0.0096 -0.0016 68 GLN A C 546 O O . GLN A 68 ? 0.1052 0.1297 0.1016 -0.0045 0.0107 0.0075 68 GLN A O 547 C CB . GLN A 68 ? 0.1310 0.1340 0.1534 -0.0262 -0.0039 0.0100 68 GLN A CB 548 C CG . GLN A 68 ? 0.1360 0.1611 0.1984 -0.0185 -0.0271 0.0051 68 GLN A CG 549 C CD . GLN A 68 ? 0.2045 0.1578 0.3036 -0.0224 -0.0827 -0.0180 68 GLN A CD 550 O OE1 . GLN A 68 ? 0.1885 0.1181 0.2728 -0.0126 0.0049 -0.0042 68 GLN A OE1 551 N NE2 . GLN A 68 ? 0.2199 0.1687 0.4373 -0.0052 -0.0104 0.0084 68 GLN A NE2 552 N N . CYS A 69 ? 0.0997 0.1089 0.1015 0.0004 0.0174 -0.0010 69 CYS A N 553 C CA . CYS A 69 ? 0.0933 0.1195 0.1039 0.0021 0.0198 -0.0070 69 CYS A CA 554 C C . CYS A 69 ? 0.0902 0.1193 0.1001 0.0045 0.0148 -0.0069 69 CYS A C 555 O O . CYS A 69 ? 0.0962 0.1225 0.0944 -0.0087 0.0135 -0.0016 69 CYS A O 556 C CB . CYS A 69 ? 0.1023 0.1370 0.1102 0.0047 0.0193 0.0146 69 CYS A CB 557 S SG . CYS A 69 ? 0.1057 0.1664 0.1262 -0.0155 0.0139 0.0091 69 CYS A SG 558 N N . SER A 70 ? 0.0996 0.1302 0.1098 0.0038 0.0330 -0.0111 70 SER A N 559 C CA . SER A 70 ? 0.0943 0.1721 0.1258 -0.0100 0.0367 -0.0180 70 SER A CA 560 C C . SER A 70 ? 0.1033 0.1477 0.1048 -0.0236 0.0393 -0.0230 70 SER A C 561 O O . SER A 70 ? 0.1093 0.1632 0.1072 -0.0418 0.0342 -0.0115 70 SER A O 562 C CB . SER A 70 ? 0.1393 0.2148 0.1230 0.0091 0.0543 -0.0298 70 SER A CB 563 O OG . SER A 70 ? 0.1745 0.2420 0.1507 0.0050 0.0721 -0.0157 70 SER A OG 564 N N . LEU A 71 ? 0.1144 0.1393 0.0966 -0.0332 0.0268 -0.0136 71 LEU A N 565 C CA . LEU A 71 ? 0.1281 0.1491 0.0930 -0.0422 0.0192 0.0002 71 LEU A CA 566 C C . LEU A 71 ? 0.1604 0.1365 0.0906 -0.0360 -0.0057 0.0107 71 LEU A C 567 O O . LEU A 71 ? 0.3314 0.1383 0.1074 -0.0607 -0.0069 0.0342 71 LEU A O 568 C CB . LEU A 71 ? 0.1228 0.1503 0.0973 -0.0222 0.0109 0.0055 71 LEU A CB 569 C CG . LEU A 71 ? 0.1155 0.1797 0.1333 -0.0044 0.0234 -0.0230 71 LEU A CG 570 C CD1 . LEU A 71 ? 0.1446 0.2320 0.1621 -0.0506 0.0308 -0.0632 71 LEU A CD1 571 C CD2 . LEU A 71 ? 0.1379 0.2811 0.1310 -0.0411 0.0331 -0.0470 71 LEU A CD2 572 N N . SER A 72 ? 0.1086 0.1260 0.0895 -0.0151 0.0162 0.0090 72 SER A N 573 C CA A SER A 72 ? 0.1258 0.1114 0.0837 -0.0162 0.0068 0.0156 72 SER A CA 574 C CA B SER A 72 ? 0.1253 0.1165 0.1005 -0.0181 0.0150 0.0082 72 SER A CA 575 C C . SER A 72 ? 0.1408 0.1268 0.0942 -0.0252 0.0182 0.0078 72 SER A C 576 O O . SER A 72 ? 0.1793 0.1489 0.1819 -0.0388 0.0492 -0.0311 72 SER A O 577 C CB A SER A 72 ? 0.0899 0.1113 0.0783 -0.0003 -0.0014 0.0068 72 SER A CB 578 C CB B SER A 72 ? 0.1222 0.1589 0.1043 0.0015 0.0300 0.0056 72 SER A CB 579 O OG A SER A 72 ? 0.0604 0.0911 0.0648 -0.0034 0.0129 0.0073 72 SER A OG 580 O OG B SER A 72 ? 0.1308 0.1544 0.1672 0.0075 0.0296 0.0206 72 SER A OG 581 N N . GLY A 73 ? 0.1344 0.1472 0.1006 -0.0394 0.0221 -0.0008 73 GLY A N 582 C CA . GLY A 73 ? 0.1465 0.1725 0.1159 -0.0613 0.0299 0.0081 73 GLY A CA 583 C C . GLY A 73 ? 0.1068 0.1908 0.1098 -0.0463 0.0443 -0.0193 73 GLY A C 584 O O . GLY A 73 ? 0.1396 0.2818 0.1094 -0.0974 0.0368 -0.0252 73 GLY A O 585 N N . SER A 74 ? 0.0835 0.1792 0.0973 -0.0209 0.0274 -0.0158 74 SER A N 586 C CA . SER A 74 ? 0.0890 0.1815 0.1243 0.0008 0.0076 -0.0323 74 SER A CA 587 C C . SER A 74 ? 0.0853 0.1799 0.1085 -0.0035 0.0217 -0.0242 74 SER A C 588 O O . SER A 74 ? 0.0831 0.2158 0.1512 0.0026 0.0169 -0.0520 74 SER A O 589 C CB . SER A 74 ? 0.0951 0.2190 0.1593 0.0020 0.0006 -0.0588 74 SER A CB 590 O OG . SER A 74 ? 0.1323 0.2107 0.1582 0.0088 0.0014 -0.0591 74 SER A OG 591 N N . ILE A 75 ? 0.0836 0.1374 0.0905 -0.0097 0.0125 0.0008 75 ILE A N 592 C CA . ILE A 75 ? 0.0969 0.1224 0.1085 -0.0181 0.0179 0.0098 75 ILE A CA 593 C C . ILE A 75 ? 0.0960 0.1223 0.0916 -0.0204 0.0190 0.0021 75 ILE A C 594 O O . ILE A 75 ? 0.1119 0.1510 0.1043 -0.0381 0.0050 0.0153 75 ILE A O 595 C CB . ILE A 75 ? 0.1128 0.1177 0.1462 0.0010 0.0085 0.0171 75 ILE A CB 596 C CG1 . ILE A 75 ? 0.1474 0.1480 0.1794 0.0271 0.0163 0.0450 75 ILE A CG1 597 C CG2 . ILE A 75 ? 0.2261 0.1028 0.2570 0.0026 0.0012 -0.0356 75 ILE A CG2 598 C CD1 . ILE A 75 ? 0.2033 0.2616 0.2600 -0.0170 0.0353 0.1024 75 ILE A CD1 599 N N . ALA A 76 ? 0.0951 0.1164 0.0914 -0.0111 0.0120 0.0086 76 ALA A N 600 C CA . ALA A 76 ? 0.1104 0.1267 0.0962 -0.0197 0.0056 0.0160 76 ALA A CA 601 C C . ALA A 76 ? 0.0827 0.1092 0.0963 0.0034 0.0035 0.0039 76 ALA A C 602 O O . ALA A 76 ? 0.0703 0.1150 0.1023 0.0000 0.0019 0.0148 76 ALA A O 603 C CB . ALA A 76 ? 0.1828 0.1275 0.1024 -0.0255 0.0247 -0.0099 76 ALA A CB 604 N N . CYS A 77 ? 0.0960 0.1323 0.1109 -0.0255 -0.0042 0.0296 77 CYS A N 605 C CA . CYS A 77 ? 0.0928 0.1206 0.1095 -0.0155 -0.0006 0.0260 77 CYS A CA 606 C C . CYS A 77 ? 0.0892 0.1099 0.1099 -0.0167 -0.0072 0.0277 77 CYS A C 607 O O . CYS A 77 ? 0.0993 0.1772 0.1195 -0.0382 -0.0177 0.0290 77 CYS A O 608 C CB . CYS A 77 ? 0.1024 0.1497 0.1458 0.0028 0.0081 0.0123 77 CYS A CB 609 S SG . CYS A 77 ? 0.1248 0.1464 0.1762 0.0121 0.0012 0.0407 77 CYS A SG 610 N N . GLY A 78 ? 0.0905 0.1264 0.1068 -0.0265 -0.0014 0.0198 78 GLY A N 611 C CA . GLY A 78 ? 0.1184 0.1540 0.1100 -0.0325 0.0041 0.0098 78 GLY A CA 612 C C . GLY A 78 ? 0.0792 0.1705 0.1185 -0.0209 -0.0082 0.0266 78 GLY A C 613 O O . GLY A 78 ? 0.1272 0.1588 0.1311 -0.0325 -0.0102 0.0437 78 GLY A O 614 N N . ASP A 79 ? 0.1020 0.1874 0.1135 -0.0383 0.0108 0.0312 79 ASP A N 615 C CA . ASP A 79 ? 0.1155 0.1865 0.1432 -0.0132 0.0067 0.0622 79 ASP A CA 616 C C . ASP A 79 ? 0.1297 0.2109 0.1127 -0.0107 0.0147 0.0665 79 ASP A C 617 O O . ASP A 79 ? 0.1495 0.2291 0.1432 -0.0174 0.0179 0.0387 79 ASP A O 618 C CB . ASP A 79 ? 0.1095 0.2246 0.1792 -0.0118 0.0035 0.0685 79 ASP A CB 619 C CG . ASP A 79 ? 0.1303 0.2497 0.2200 0.0233 -0.0062 0.0671 79 ASP A CG 620 O OD1 . ASP A 79 ? 0.1786 0.2355 0.2205 0.0472 -0.0627 0.0645 79 ASP A OD1 621 O OD2 . ASP A 79 ? 0.1464 0.3326 0.2708 0.0062 0.0323 0.0945 79 ASP A OD2 622 N N . CYS A 80 ? 0.1409 0.2086 0.1652 0.0082 0.0479 0.0841 80 CYS A N 623 C CA . CYS A 80 ? 0.1638 0.2290 0.1502 0.0131 0.0276 0.0497 80 CYS A CA 624 C C . CYS A 80 ? 0.1932 0.2093 0.1698 -0.0625 -0.0059 0.0408 80 CYS A C 625 O O . CYS A 80 ? 0.1470 0.2021 0.2243 -0.0629 -0.0230 0.0804 80 CYS A O 626 C CB . CYS A 80 ? 0.1305 0.1788 0.1455 -0.0224 0.0086 0.0391 80 CYS A CB 627 S SG . CYS A 80 ? 0.1413 0.1911 0.1401 -0.0164 0.0036 0.0193 80 CYS A SG 628 N N . PHE A 81 ? 0.2369 0.2837 0.1825 -0.1190 -0.0347 0.0415 81 PHE A N 629 C CA . PHE A 81 ? 0.2675 0.3218 0.1656 -0.0744 -0.0391 0.0203 81 PHE A CA 630 C C . PHE A 81 ? 0.2722 0.3253 0.2618 -0.1443 -0.0097 -0.0130 81 PHE A C 631 O O . PHE A 81 ? 0.3922 0.4236 0.2359 -0.1418 -0.0118 -0.0380 81 PHE A O 632 C CB . PHE A 81 ? 0.2748 0.3542 0.2418 -0.0567 -0.0862 0.0037 81 PHE A CB 633 C CG . PHE A 81 ? 0.3279 0.3638 0.1980 -0.0357 -0.1005 0.0412 81 PHE A CG 634 C CD1 . PHE A 81 ? 0.3303 0.3547 0.3535 -0.0125 -0.0330 0.0759 81 PHE A CD1 635 C CD2 . PHE A 81 ? 0.3151 0.3754 0.3057 -0.0505 -0.0299 0.0572 81 PHE A CD2 636 C CE1 . PHE A 81 ? 0.2876 0.4064 0.3569 0.0095 -0.0699 0.1204 81 PHE A CE1 637 C CE2 . PHE A 81 ? 0.3274 0.4025 0.2955 0.0179 -0.0675 0.0707 81 PHE A CE2 638 C CZ . PHE A 81 ? 0.2666 0.3890 0.4471 -0.0255 -0.0430 0.1188 81 PHE A CZ 639 N N . ASN A 82 ? 0.2611 0.3776 0.1736 -0.1600 -0.0028 0.0396 82 ASN A N 640 C CA . ASN A 82 ? 0.2442 0.2855 0.2563 -0.1254 -0.0021 0.0485 82 ASN A CA 641 C C . ASN A 82 ? 0.2618 0.3053 0.1439 -0.0595 0.0465 0.0503 82 ASN A C 642 O O . ASN A 82 ? 0.1721 0.2389 0.1749 -0.0272 0.0146 0.0861 82 ASN A O 643 C CB . ASN A 82 ? 0.3324 0.2837 0.2279 -0.0585 -0.0049 -0.0057 82 ASN A CB 644 C CG . ASN A 82 ? 0.3927 0.2969 0.2738 -0.0800 0.0284 -0.0201 82 ASN A CG 645 O OD1 . ASN A 82 ? 0.4769 0.2900 0.3007 -0.0321 0.0069 -0.0351 82 ASN A OD1 646 N ND2 . ASN A 82 ? 0.4286 0.3126 0.2968 -0.1436 -0.0051 0.0074 82 ASN A ND2 647 N N . GLY A 83 ? 0.2333 0.2970 0.1397 -0.0684 -0.0051 0.0799 83 GLY A N 648 C CA . GLY A 83 ? 0.1896 0.2628 0.1894 -0.0672 0.0470 0.0824 83 GLY A CA 649 C C . GLY A 83 ? 0.2956 0.2382 0.1665 -0.0160 0.0396 0.0941 83 GLY A C 650 O O . GLY A 83 ? 0.1887 0.2107 0.1743 -0.0338 -0.0063 0.0747 83 GLY A O 651 N N . PRO A 84 ? 0.2201 0.2172 0.1891 -0.0013 0.0278 0.1023 84 PRO A N 652 C CA . PRO A 84 ? 0.1512 0.2151 0.2037 -0.0331 -0.0043 0.0776 84 PRO A CA 653 C C . PRO A 84 ? 0.1493 0.2531 0.2266 -0.0346 0.0063 0.1262 84 PRO A C 654 O O . PRO A 84 ? 0.1505 0.2935 0.2478 -0.0386 -0.0025 0.1429 84 PRO A O 655 C CB . PRO A 84 ? 0.1052 0.2679 0.2569 0.0425 -0.0064 0.0621 84 PRO A CB 656 C CG . PRO A 84 ? 0.2783 0.2343 0.2384 -0.0209 0.0860 0.0244 84 PRO A CG 657 C CD . PRO A 84 ? 0.2419 0.2298 0.1949 -0.0550 0.0008 0.0835 84 PRO A CD 658 N N . ARG A 85 ? 0.1111 0.3403 0.3426 0.0015 0.0252 0.2636 85 ARG A N 659 C CA . ARG A 85 ? 0.1110 0.1852 0.2250 -0.0061 0.0036 0.1380 85 ARG A CA 660 C C . ARG A 85 ? 0.0838 0.1613 0.2008 0.0105 0.0355 0.1078 85 ARG A C 661 O O . ARG A 85 ? 0.0790 0.1583 0.2073 0.0073 0.0320 0.1031 85 ARG A O 662 C CB . ARG A 85 ? 0.1242 0.2883 0.1554 -0.0384 0.0088 0.0972 85 ARG A CB 663 C CG . ARG A 85 ? 0.1589 0.2989 0.1579 -0.0290 -0.0314 0.0623 85 ARG A CG 664 C CD . ARG A 85 ? 0.1911 0.3276 0.1845 -0.0199 -0.0181 0.0420 85 ARG A CD 665 N NE . ARG A 85 ? 0.1495 0.2662 0.1656 -0.0165 0.0197 0.0238 85 ARG A NE 666 C CZ . ARG A 85 ? 0.1592 0.1788 0.1575 -0.0312 0.0385 0.0293 85 ARG A CZ 667 N NH1 . ARG A 85 ? 0.1540 0.1488 0.1672 -0.0503 0.0314 0.0327 85 ARG A NH1 668 N NH2 . ARG A 85 ? 0.1987 0.2173 0.2240 -0.0007 0.0892 0.0758 85 ARG A NH2 669 N N . PRO A 86 ? 0.0797 0.1222 0.1472 -0.0018 0.0243 0.0565 86 PRO A N 670 C CA . PRO A 86 ? 0.0846 0.1000 0.0980 -0.0009 0.0252 0.0201 86 PRO A CA 671 C C . PRO A 86 ? 0.0818 0.0998 0.0947 0.0083 0.0090 0.0182 86 PRO A C 672 O O . PRO A 86 ? 0.1022 0.1274 0.0953 0.0109 0.0133 0.0107 86 PRO A O 673 C CB . PRO A 86 ? 0.0920 0.1003 0.1021 0.0017 0.0160 0.0080 86 PRO A CB 674 C CG . PRO A 86 ? 0.0959 0.1159 0.1182 -0.0070 0.0188 0.0164 86 PRO A CG 675 C CD . PRO A 86 ? 0.0825 0.1314 0.1320 0.0017 0.0232 0.0288 86 PRO A CD 676 N N . GLY A 87 ? 0.0855 0.0874 0.0751 -0.0090 0.0065 0.0170 87 GLY A N 677 C CA . GLY A 87 ? 0.0966 0.0876 0.0835 -0.0078 0.0122 0.0154 87 GLY A CA 678 C C . GLY A 87 ? 0.1030 0.1075 0.0881 -0.0048 0.0098 0.0138 87 GLY A C 679 O O . GLY A 87 ? 0.1083 0.1268 0.1036 -0.0102 -0.0061 0.0176 87 GLY A O 680 N N . CYS A 88 ? 0.0860 0.1237 0.0889 -0.0060 0.0128 0.0342 88 CYS A N 681 C CA . CYS A 88 ? 0.0871 0.1403 0.0984 0.0018 -0.0002 0.0354 88 CYS A CA 682 C C . CYS A 88 ? 0.0901 0.1360 0.0947 -0.0004 0.0071 0.0447 88 CYS A C 683 O O . CYS A 88 ? 0.0914 0.1514 0.1200 0.0053 0.0219 0.0664 88 CYS A O 684 C CB . CYS A 88 ? 0.1109 0.1529 0.1023 0.0000 0.0147 0.0380 88 CYS A CB 685 S SG . CYS A 88 ? 0.1308 0.1866 0.1010 -0.0100 0.0000 0.0382 88 CYS A SG 686 N N . ASN A 89 ? 0.0917 0.1203 0.1083 0.0033 0.0120 0.0512 89 ASN A N 687 C CA . ASN A 89 ? 0.0972 0.1179 0.1145 -0.0059 0.0187 0.0440 89 ASN A CA 688 C C . ASN A 89 ? 0.0979 0.1352 0.1228 0.0002 0.0116 0.0472 89 ASN A C 689 O O . ASN A 89 ? 0.0874 0.1499 0.1888 0.0007 0.0098 0.0652 89 ASN A O 690 C CB . ASN A 89 ? 0.0982 0.1230 0.1313 -0.0109 0.0038 0.0341 89 ASN A CB 691 C CG . ASN A 89 ? 0.1001 0.1187 0.1316 -0.0162 0.0112 0.0434 89 ASN A CG 692 O OD1 . ASN A 89 ? 0.1114 0.1226 0.1897 -0.0215 0.0144 0.0543 89 ASN A OD1 693 N ND2 . ASN A 89 ? 0.0913 0.1242 0.1257 -0.0135 0.0067 0.0370 89 ASN A ND2 694 N N . ASN A 90 ? 0.0927 0.1390 0.1595 0.0112 0.0167 0.0634 90 ASN A N 695 C CA . ASN A 90 ? 0.0932 0.1559 0.1485 0.0096 0.0102 0.0671 90 ASN A CA 696 C C . ASN A 90 ? 0.1000 0.1308 0.1539 0.0163 0.0105 0.0566 90 ASN A C 697 O O . ASN A 90 ? 0.1101 0.1274 0.1673 0.0032 0.0082 0.0475 90 ASN A O 698 C CB . ASN A 90 ? 0.1183 0.2125 0.1623 0.0281 0.0104 0.0973 90 ASN A CB 699 C CG . ASN A 90 ? 0.1183 0.2669 0.1527 0.0545 0.0047 0.0911 90 ASN A CG 700 O OD1 . ASN A 90 ? 0.1652 0.3159 0.1957 0.0071 0.0183 0.0516 90 ASN A OD1 701 N ND2 . ASN A 90 ? 0.2361 0.3439 0.1772 0.0846 0.0283 0.1340 90 ASN A ND2 702 N N . ASN A 91 ? 0.0954 0.1440 0.1388 0.0109 -0.0019 0.0580 91 ASN A N 703 C CA . ASN A 91 ? 0.0971 0.1327 0.1550 0.0213 0.0104 0.0562 91 ASN A CA 704 C C . ASN A 91 ? 0.0976 0.1075 0.1361 0.0084 0.0131 0.0337 91 ASN A C 705 O O . ASN A 91 ? 0.1096 0.1110 0.1463 0.0189 0.0104 0.0288 91 ASN A O 706 C CB . ASN A 91 ? 0.1220 0.1365 0.1889 0.0305 0.0062 0.0622 91 ASN A CB 707 C CG . ASN A 91 ? 0.2054 0.1395 0.2305 0.0572 0.0478 0.0624 91 ASN A CG 708 O OD1 . ASN A 91 ? 0.1666 0.2122 0.2725 0.0622 0.0669 0.0695 91 ASN A OD1 709 N ND2 . ASN A 91 ? 0.3156 0.1802 0.2404 0.0544 0.0404 0.0287 91 ASN A ND2 710 N N . THR A 92 ? 0.0870 0.1080 0.1070 0.0058 0.0033 0.0264 92 THR A N 711 C CA . THR A 92 ? 0.0774 0.0975 0.1049 0.0020 0.0034 0.0235 92 THR A CA 712 C C . THR A 92 ? 0.0613 0.0933 0.1052 0.0049 0.0007 0.0226 92 THR A C 713 O O . THR A 92 ? 0.0746 0.1085 0.1073 -0.0086 -0.0033 0.0215 92 THR A O 714 C CB . THR A 92 ? 0.0718 0.1162 0.1205 -0.0001 0.0057 0.0246 92 THR A CB 715 O OG1 . THR A 92 ? 0.0853 0.1380 0.1545 -0.0117 0.0148 0.0598 92 THR A OG1 716 C CG2 . THR A 92 ? 0.0781 0.1303 0.1219 0.0144 0.0173 0.0345 92 THR A CG2 717 N N . CYS A 93 ? 0.0594 0.0874 0.1080 0.0021 0.0011 0.0186 93 CYS A N 718 C CA . CYS A 93 ? 0.0673 0.0858 0.0956 -0.0008 0.0151 0.0130 93 CYS A CA 719 C C . CYS A 93 ? 0.0605 0.0854 0.0778 0.0021 0.0090 0.0150 93 CYS A C 720 O O . CYS A 93 ? 0.0570 0.0982 0.0985 0.0082 0.0060 0.0121 93 CYS A O 721 C CB . CYS A 93 ? 0.0893 0.0959 0.1059 -0.0002 0.0118 -0.0002 93 CYS A CB 722 S SG . CYS A 93 ? 0.1429 0.1182 0.1061 -0.0140 0.0205 0.0130 93 CYS A SG 723 N N . GLY A 94 ? 0.0669 0.0835 0.0846 0.0046 0.0100 0.0192 94 GLY A N 724 C CA . GLY A 94 ? 0.0822 0.0835 0.0776 -0.0011 0.0069 0.0087 94 GLY A CA 725 C C . GLY A 94 ? 0.0610 0.0810 0.0797 -0.0034 0.0077 0.0096 94 GLY A C 726 O O . GLY A 94 ? 0.0646 0.0957 0.0900 0.0126 0.0139 0.0114 94 GLY A O 727 N N . VAL A 95 ? 0.0581 0.0766 0.0758 -0.0008 0.0079 0.0136 95 VAL A N 728 C CA . VAL A 95 ? 0.0562 0.0789 0.0717 -0.0131 0.0053 0.0120 95 VAL A CA 729 C C . VAL A 95 ? 0.0526 0.0796 0.0739 -0.0029 0.0013 0.0074 95 VAL A C 730 O O . VAL A 95 ? 0.0631 0.0884 0.0723 -0.0079 0.0009 0.0095 95 VAL A O 731 C CB . VAL A 95 ? 0.0717 0.0757 0.0777 -0.0099 -0.0025 0.0113 95 VAL A CB 732 C CG1 . VAL A 95 ? 0.0784 0.0855 0.0843 -0.0034 0.0042 0.0045 95 VAL A CG1 733 C CG2 . VAL A 95 ? 0.0647 0.0946 0.0963 -0.0037 -0.0029 -0.0041 95 VAL A CG2 734 N N . PHE A 96 ? 0.0637 0.0779 0.0857 -0.0128 0.0111 0.0068 96 PHE A N 735 C CA . PHE A 96 ? 0.0679 0.0843 0.0913 -0.0110 0.0087 0.0056 96 PHE A CA 736 C C . PHE A 96 ? 0.0650 0.0776 0.0830 -0.0076 0.0089 0.0043 96 PHE A C 737 O O . PHE A 96 ? 0.0754 0.0885 0.1209 -0.0149 0.0136 0.0226 96 PHE A O 738 C CB . PHE A 96 ? 0.0745 0.0894 0.1152 -0.0199 -0.0017 -0.0068 96 PHE A CB 739 C CG . PHE A 96 ? 0.0722 0.1172 0.1145 -0.0304 -0.0019 -0.0015 96 PHE A CG 740 C CD1 . PHE A 96 ? 0.0880 0.1417 0.1238 -0.0055 0.0042 -0.0040 96 PHE A CD1 741 C CD2 . PHE A 96 ? 0.0781 0.1692 0.1200 -0.0356 -0.0032 -0.0116 96 PHE A CD2 742 C CE1 . PHE A 96 ? 0.0903 0.1855 0.1663 0.0042 -0.0148 -0.0098 96 PHE A CE1 743 C CE2 . PHE A 96 ? 0.1125 0.2131 0.1237 -0.0421 -0.0202 -0.0110 96 PHE A CE2 744 C CZ . PHE A 96 ? 0.1085 0.1710 0.1545 -0.0267 -0.0361 0.0113 96 PHE A CZ 745 N N . PRO A 97 ? 0.0652 0.0713 0.0756 -0.0103 0.0003 0.0074 97 PRO A N 746 C CA . PRO A 97 ? 0.0682 0.0678 0.0714 -0.0047 0.0000 -0.0023 97 PRO A CA 747 C C . PRO A 97 ? 0.0674 0.0674 0.0816 -0.0101 0.0032 0.0026 97 PRO A C 748 O O . PRO A 97 ? 0.0873 0.0747 0.0803 -0.0132 -0.0033 0.0039 97 PRO A O 749 C CB . PRO A 97 ? 0.0616 0.0753 0.0855 -0.0076 -0.0022 0.0071 97 PRO A CB 750 C CG . PRO A 97 ? 0.0693 0.0763 0.0772 -0.0033 0.0017 0.0048 97 PRO A CG 751 C CD . PRO A 97 ? 0.0673 0.0713 0.0763 -0.0064 0.0000 0.0065 97 PRO A CD 752 N N . GLU A 98 ? 0.0804 0.0674 0.0821 -0.0088 -0.0044 0.0055 98 GLU A N 753 C CA A GLU A 98 ? 0.0781 0.0703 0.0922 -0.0110 -0.0057 0.0074 98 GLU A CA 754 C CA B GLU A 98 ? 0.0775 0.0708 0.0933 -0.0113 -0.0059 0.0075 98 GLU A CA 755 C C . GLU A 98 ? 0.0825 0.0613 0.0781 -0.0105 0.0045 0.0150 98 GLU A C 756 O O . GLU A 98 ? 0.0863 0.0707 0.0903 -0.0066 -0.0056 0.0085 98 GLU A O 757 C CB A GLU A 98 ? 0.0962 0.0856 0.1150 -0.0022 0.0189 0.0089 98 GLU A CB 758 C CB B GLU A 98 ? 0.0919 0.0957 0.1117 -0.0083 0.0098 0.0137 98 GLU A CB 759 C CG A GLU A 98 ? 0.0935 0.0976 0.1443 -0.0085 0.0105 0.0117 98 GLU A CG 760 C CG B GLU A 98 ? 0.1109 0.1025 0.1252 -0.0211 0.0146 0.0021 98 GLU A CG 761 C CD A GLU A 98 ? 0.0887 0.1130 0.1323 0.0118 0.0156 0.0131 98 GLU A CD 762 C CD B GLU A 98 ? 0.1619 0.1469 0.1441 -0.0477 0.0228 0.0215 98 GLU A CD 763 O OE1 A GLU A 98 ? 0.0977 0.1535 0.1361 0.0022 -0.0027 0.0323 98 GLU A OE1 764 O OE1 B GLU A 98 ? 0.1492 0.2736 0.2232 -0.0481 0.1081 0.0039 98 GLU A OE1 765 O OE2 A GLU A 98 ? 0.0881 0.1317 0.1393 0.0265 0.0105 -0.0190 98 GLU A OE2 766 O OE2 B GLU A 98 ? 0.2840 0.1919 0.2210 -0.0203 0.0442 0.0998 98 GLU A OE2 767 N N . ASN A 99 ? 0.0866 0.0728 0.0832 -0.0063 -0.0022 0.0086 99 ASN A N 768 C CA . ASN A 99 ? 0.0837 0.0747 0.0805 -0.0038 -0.0003 0.0147 99 ASN A CA 769 C C . ASN A 99 ? 0.0927 0.0713 0.0857 -0.0049 -0.0042 0.0121 99 ASN A C 770 O O . ASN A 99 ? 0.1218 0.0812 0.0913 -0.0168 -0.0038 0.0032 99 ASN A O 771 C CB . ASN A 99 ? 0.1043 0.0739 0.0841 -0.0059 0.0094 0.0134 99 ASN A CB 772 C CG . ASN A 99 ? 0.0956 0.0795 0.0990 0.0047 0.0150 0.0152 99 ASN A CG 773 O OD1 . ASN A 99 ? 0.1175 0.1040 0.1439 0.0194 0.0445 0.0557 99 ASN A OD1 774 N ND2 . ASN A 99 ? 0.1075 0.0776 0.0951 -0.0082 0.0227 0.0079 99 ASN A ND2 775 N N . PRO A 100 ? 0.0930 0.0745 0.0905 -0.0075 0.0000 0.0202 100 PRO A N 776 C CA . PRO A 100 ? 0.1044 0.0944 0.1067 -0.0203 0.0132 0.0209 100 PRO A CA 777 C C . PRO A 100 ? 0.1216 0.0875 0.1194 -0.0165 0.0182 0.0199 100 PRO A C 778 O O . PRO A 100 ? 0.1637 0.0922 0.2027 -0.0297 0.0598 0.0114 100 PRO A O 779 C CB . PRO A 100 ? 0.1119 0.1085 0.0981 0.0037 0.0156 0.0325 100 PRO A CB 780 C CG . PRO A 100 ? 0.1278 0.0966 0.0885 0.0039 0.0037 0.0112 100 PRO A CG 781 C CD . PRO A 100 ? 0.1267 0.0825 0.0910 -0.0174 -0.0133 0.0145 100 PRO A CD 782 N N . VAL A 101 ? 0.1156 0.0765 0.1274 -0.0086 0.0179 0.0207 101 VAL A N 783 C CA . VAL A 101 ? 0.1446 0.0715 0.1629 -0.0086 0.0225 0.0184 101 VAL A CA 784 C C . VAL A 101 ? 0.1670 0.0856 0.1789 -0.0222 0.0223 -0.0055 101 VAL A C 785 O O . VAL A 101 ? 0.2430 0.0918 0.2789 -0.0119 -0.0114 -0.0419 101 VAL A O 786 C CB . VAL A 101 ? 0.1382 0.0842 0.1483 0.0036 0.0168 0.0157 101 VAL A CB 787 C CG1 . VAL A 101 ? 0.1675 0.1258 0.1653 0.0268 0.0186 0.0035 101 VAL A CG1 788 C CG2 . VAL A 101 ? 0.1467 0.1198 0.1347 0.0213 0.0083 0.0068 101 VAL A CG2 789 N N . ILE A 102 ? 0.1745 0.0995 0.1545 -0.0461 0.0008 -0.0144 102 ILE A N 790 C CA . ILE A 102 ? 0.2051 0.1380 0.1778 -0.0582 -0.0104 -0.0385 102 ILE A CA 791 C C . ILE A 102 ? 0.2054 0.1289 0.1832 -0.0794 -0.0259 -0.0223 102 ILE A C 792 O O . ILE A 102 ? 0.2155 0.2909 0.2070 -0.1030 -0.0297 -0.0551 102 ILE A O 793 C CB . ILE A 102 ? 0.2033 0.1853 0.1552 -0.0344 -0.0066 -0.0361 102 ILE A CB 794 C CG1 . ILE A 102 ? 0.1734 0.1634 0.1489 -0.0162 0.0220 -0.0123 102 ILE A CG1 795 C CG2 . ILE A 102 ? 0.2243 0.1946 0.2174 -0.0039 0.0547 -0.0465 102 ILE A CG2 796 C CD1 . ILE A 102 ? 0.2220 0.2066 0.1630 -0.0429 0.0336 -0.0174 102 ILE A CD1 797 N N . ASN A 103 ? 0.1785 0.1020 0.1788 -0.0323 -0.0282 0.0040 103 ASN A N 798 C CA . ASN A 103 ? 0.1727 0.1317 0.2126 -0.0452 -0.0252 0.0099 103 ASN A CA 799 C C . ASN A 103 ? 0.1614 0.1342 0.2264 -0.0526 -0.0536 -0.0006 103 ASN A C 800 O O . ASN A 103 ? 0.2248 0.1477 0.3356 -0.0800 -0.1320 0.0217 103 ASN A O 801 C CB . ASN A 103 ? 0.2168 0.1591 0.2264 -0.0618 -0.0065 0.0264 103 ASN A CB 802 C CG . ASN A 103 ? 0.2520 0.2245 0.3846 -0.0561 0.0273 0.0182 103 ASN A CG 803 O OD1 . ASN A 103 ? 0.4002 0.2764 0.4409 -0.0017 0.0777 0.0023 103 ASN A OD1 804 N ND2 . ASN A 103 ? 0.3285 0.3199 0.5950 -0.1722 0.0934 0.0399 103 ASN A ND2 805 N N . THR A 104 ? 0.1683 0.1072 0.1908 -0.0383 -0.0673 -0.0013 104 THR A N 806 C CA . THR A 104 ? 0.1892 0.1093 0.1956 -0.0324 -0.0731 0.0038 104 THR A CA 807 C C . THR A 104 ? 0.1452 0.1107 0.1788 -0.0290 -0.0611 -0.0021 104 THR A C 808 O O . THR A 104 ? 0.1431 0.1207 0.1718 -0.0217 -0.0612 -0.0141 104 THR A O 809 C CB . THR A 104 ? 0.2520 0.1581 0.1609 -0.0106 -0.0457 -0.0180 104 THR A CB 810 O OG1 . THR A 104 ? 0.3546 0.1754 0.2198 -0.0233 -0.0412 -0.0274 104 THR A OG1 811 C CG2 . THR A 104 ? 0.3134 0.2226 0.2358 0.0235 -0.0262 0.0326 104 THR A CG2 812 N N . ALA A 105 ? 0.1480 0.0968 0.1927 -0.0424 -0.0782 0.0074 105 ALA A N 813 C CA . ALA A 105 ? 0.1511 0.0943 0.1518 -0.0281 -0.0379 0.0103 105 ALA A CA 814 C C . ALA A 105 ? 0.1350 0.0941 0.1488 -0.0311 -0.0475 0.0059 105 ALA A C 815 O O . ALA A 105 ? 0.2091 0.1190 0.1975 -0.0618 -0.1086 0.0114 105 ALA A O 816 C CB . ALA A 105 ? 0.1690 0.1605 0.2318 -0.0118 0.0341 0.0488 105 ALA A CB 817 N N . THR A 106 ? 0.1063 0.0889 0.1017 -0.0150 -0.0243 0.0026 106 THR A N 818 C CA . THR A 106 ? 0.1016 0.0903 0.1006 -0.0114 -0.0176 -0.0074 106 THR A CA 819 C C . THR A 106 ? 0.0776 0.0942 0.0880 -0.0111 -0.0101 -0.0089 106 THR A C 820 O O . THR A 106 ? 0.1148 0.1018 0.0871 -0.0119 -0.0186 -0.0106 106 THR A O 821 C CB . THR A 106 ? 0.1355 0.1159 0.1176 0.0083 0.0031 -0.0162 106 THR A CB 822 O OG1 . THR A 106 ? 0.2019 0.1626 0.1049 0.0008 0.0007 -0.0198 106 THR A OG1 823 C CG2 . THR A 106 ? 0.1168 0.1538 0.1396 -0.0012 0.0258 -0.0122 106 THR A CG2 824 N N . GLY A 107 ? 0.0773 0.0931 0.0809 -0.0143 -0.0122 -0.0039 107 GLY A N 825 C CA . GLY A 107 ? 0.0785 0.0997 0.0775 -0.0106 -0.0075 0.0015 107 GLY A CA 826 C C . GLY A 107 ? 0.0803 0.0945 0.0770 -0.0130 -0.0043 0.0034 107 GLY A C 827 O O . GLY A 107 ? 0.0984 0.1283 0.0921 -0.0283 0.0162 -0.0167 107 GLY A O 828 N N . GLY A 108 ? 0.0619 0.0918 0.0715 -0.0066 0.0021 -0.0004 108 GLY A N 829 C CA . GLY A 108 ? 0.0612 0.0987 0.0976 -0.0029 -0.0015 -0.0004 108 GLY A CA 830 C C . GLY A 108 ? 0.0556 0.0881 0.0776 -0.0021 0.0014 0.0054 108 GLY A C 831 O O . GLY A 108 ? 0.0746 0.0858 0.0965 -0.0078 0.0208 0.0078 108 GLY A O 832 N N . GLU A 109 ? 0.0607 0.0843 0.0801 -0.0108 0.0060 -0.0042 109 GLU A N 833 C CA . GLU A 109 ? 0.0601 0.0828 0.0680 0.0001 0.0035 0.0088 109 GLU A CA 834 C C . GLU A 109 ? 0.0607 0.0631 0.0709 0.0001 0.0009 0.0107 109 GLU A C 835 O O . GLU A 109 ? 0.0770 0.1046 0.0808 0.0226 -0.0076 -0.0057 109 GLU A O 836 C CB . GLU A 109 ? 0.0644 0.0922 0.0850 -0.0055 0.0013 0.0177 109 GLU A CB 837 C CG . GLU A 109 ? 0.0721 0.1017 0.0878 -0.0122 0.0008 0.0122 109 GLU A CG 838 C CD . GLU A 109 ? 0.0723 0.1178 0.0953 -0.0013 -0.0049 0.0288 109 GLU A CD 839 O OE1 . GLU A 109 ? 0.0861 0.1123 0.0995 -0.0111 0.0003 0.0277 109 GLU A OE1 840 O OE2 . GLU A 109 ? 0.0859 0.1351 0.1052 -0.0159 -0.0055 0.0438 109 GLU A OE2 841 N N . VAL A 110 ? 0.0526 0.0736 0.0681 -0.0021 -0.0043 0.0081 110 VAL A N 842 C CA . VAL A 110 ? 0.0576 0.0648 0.0717 -0.0056 0.0000 0.0118 110 VAL A CA 843 C C . VAL A 110 ? 0.0545 0.0666 0.0640 0.0012 0.0033 0.0099 110 VAL A C 844 O O . VAL A 110 ? 0.0565 0.0747 0.0778 -0.0072 -0.0028 0.0199 110 VAL A O 845 C CB . VAL A 110 ? 0.0657 0.0689 0.0745 -0.0078 0.0069 0.0075 110 VAL A CB 846 C CG1 . VAL A 110 ? 0.0804 0.0860 0.0726 -0.0129 0.0076 0.0032 110 VAL A CG1 847 C CG2 . VAL A 110 ? 0.0857 0.0934 0.0872 -0.0300 0.0154 0.0036 110 VAL A CG2 848 N N . ALA A 111 ? 0.0584 0.0636 0.0651 -0.0005 0.0004 0.0134 111 ALA A N 849 C CA . ALA A 111 ? 0.0554 0.0705 0.0655 -0.0063 0.0040 0.0157 111 ALA A CA 850 C C . ALA A 111 ? 0.0523 0.0657 0.0669 -0.0097 0.0080 0.0103 111 ALA A C 851 O O . ALA A 111 ? 0.0742 0.0635 0.0643 -0.0090 0.0004 0.0088 111 ALA A O 852 C CB . ALA A 111 ? 0.0672 0.1206 0.0721 -0.0072 0.0068 -0.0095 111 ALA A CB 853 N N . GLU A 112 ? 0.0604 0.0714 0.0689 -0.0122 -0.0002 0.0177 112 GLU A N 854 C CA . GLU A 112 ? 0.0620 0.0770 0.0722 -0.0109 0.0007 0.0133 112 GLU A CA 855 C C . GLU A 112 ? 0.0676 0.0679 0.0670 -0.0174 -0.0006 0.0073 112 GLU A C 856 O O . GLU A 112 ? 0.0663 0.0833 0.0785 -0.0172 0.0037 0.0200 112 GLU A O 857 C CB . GLU A 112 ? 0.0907 0.0844 0.0927 -0.0146 0.0062 -0.0075 112 GLU A CB 858 C CG . GLU A 112 ? 0.0985 0.1166 0.1080 -0.0087 0.0187 -0.0112 112 GLU A CG 859 C CD . GLU A 112 ? 0.1102 0.1436 0.1594 0.0178 0.0224 -0.0230 112 GLU A CD 860 O OE1 . GLU A 112 ? 0.2207 0.1581 0.2526 0.0472 0.0875 0.0099 112 GLU A OE1 861 O OE2 . GLU A 112 ? 0.2074 0.2204 0.1906 0.0685 0.0555 -0.0287 112 GLU A OE2 862 N N . ASP A 113 ? 0.0645 0.0646 0.0599 -0.0180 0.0023 0.0047 113 ASP A N 863 C CA . ASP A 113 ? 0.0609 0.0631 0.0700 -0.0116 0.0021 0.0063 113 ASP A CA 864 C C . ASP A 113 ? 0.0672 0.0590 0.0664 -0.0123 0.0027 -0.0004 113 ASP A C 865 O O . ASP A 113 ? 0.0764 0.0732 0.0657 -0.0132 0.0030 0.0011 113 ASP A O 866 C CB . ASP A 113 ? 0.0638 0.0655 0.0672 -0.0163 0.0003 0.0007 113 ASP A CB 867 C CG . ASP A 113 ? 0.0702 0.0639 0.0679 -0.0103 -0.0027 0.0085 113 ASP A CG 868 O OD1 . ASP A 113 ? 0.0781 0.0744 0.0789 -0.0264 0.0034 0.0067 113 ASP A OD1 869 O OD2 . ASP A 113 ? 0.0751 0.0790 0.0724 -0.0221 0.0122 0.0050 113 ASP A OD2 870 N N . VAL A 114 ? 0.0702 0.0698 0.0681 -0.0113 0.0000 0.0021 114 VAL A N 871 C CA A VAL A 114 ? 0.0731 0.0652 0.0757 -0.0209 -0.0077 -0.0050 114 VAL A CA 872 C CA B VAL A 114 ? 0.0735 0.0714 0.0788 -0.0084 -0.0075 -0.0018 114 VAL A CA 873 C C . VAL A 114 ? 0.0611 0.0700 0.0781 -0.0075 -0.0033 -0.0031 114 VAL A C 874 O O . VAL A 114 ? 0.0802 0.0705 0.0738 -0.0071 0.0029 -0.0005 114 VAL A O 875 C CB A VAL A 114 ? 0.0744 0.0862 0.0920 -0.0254 -0.0116 0.0106 114 VAL A CB 876 C CB B VAL A 114 ? 0.0825 0.0903 0.1188 -0.0181 -0.0178 0.0114 114 VAL A CB 877 C CG1 A VAL A 114 ? 0.1176 0.1267 0.1541 -0.0575 -0.0605 0.0330 114 VAL A CG1 878 C CG1 B VAL A 114 ? 0.0868 0.0889 0.1177 -0.0222 -0.0128 0.0134 114 VAL A CG1 879 C CG2 A VAL A 114 ? 0.0942 0.0777 0.0951 -0.0409 0.0000 -0.0029 114 VAL A CG2 880 C CG2 B VAL A 114 ? 0.1077 0.1288 0.1376 -0.0406 -0.0388 0.0170 114 VAL A CG2 881 N N . VAL A 115 ? 0.0797 0.0691 0.0710 -0.0035 -0.0080 -0.0032 115 VAL A N 882 C CA . VAL A 115 ? 0.0823 0.0698 0.0676 -0.0049 0.0025 -0.0007 115 VAL A CA 883 C C . VAL A 115 ? 0.0912 0.0719 0.0626 -0.0102 -0.0012 0.0000 115 VAL A C 884 O O . VAL A 115 ? 0.1103 0.0896 0.0760 0.0074 -0.0097 -0.0127 115 VAL A O 885 C CB . VAL A 115 ? 0.0819 0.0775 0.0763 -0.0090 0.0105 -0.0050 115 VAL A CB 886 C CG1 . VAL A 115 ? 0.1102 0.0801 0.0823 -0.0104 0.0042 0.0051 115 VAL A CG1 887 C CG2 . VAL A 115 ? 0.0807 0.0858 0.0926 -0.0202 0.0060 -0.0140 115 VAL A CG2 888 N N . SER A 116 ? 0.0925 0.0761 0.0679 -0.0051 -0.0164 -0.0008 116 SER A N 889 C CA . SER A 116 ? 0.1060 0.0875 0.0824 -0.0080 -0.0286 0.0032 116 SER A CA 890 C C . SER A 116 ? 0.0877 0.0866 0.0756 -0.0066 -0.0123 0.0056 116 SER A C 891 O O . SER A 116 ? 0.1132 0.0925 0.0732 -0.0075 -0.0162 0.0026 116 SER A O 892 C CB . SER A 116 ? 0.1143 0.0920 0.1168 -0.0180 -0.0245 0.0213 116 SER A CB 893 O OG . SER A 116 ? 0.1206 0.1588 0.1914 -0.0422 -0.0360 0.0245 116 SER A OG 894 N N . VAL A 117 ? 0.0920 0.0972 0.0737 -0.0033 -0.0240 0.0000 117 VAL A N 895 C CA . VAL A 117 ? 0.0835 0.0904 0.0834 -0.0195 -0.0159 0.0078 117 VAL A CA 896 C C . VAL A 117 ? 0.0869 0.0820 0.0806 -0.0270 -0.0194 0.0100 117 VAL A C 897 O O . VAL A 117 ? 0.1143 0.0895 0.0902 -0.0167 -0.0306 0.0013 117 VAL A O 898 C CB . VAL A 117 ? 0.1007 0.1292 0.0815 -0.0359 -0.0105 0.0105 117 VAL A CB 899 C CG1 . VAL A 117 ? 0.1044 0.1205 0.0944 -0.0390 -0.0139 -0.0025 117 VAL A CG1 900 C CG2 . VAL A 117 ? 0.1135 0.2078 0.1028 -0.0405 0.0033 -0.0295 117 VAL A CG2 901 N N . GLU A 118 ? 0.0946 0.0872 0.0779 -0.0212 -0.0214 0.0027 118 GLU A N 902 C CA . GLU A 118 ? 0.0854 0.0897 0.0783 -0.0224 -0.0219 0.0077 118 GLU A CA 903 C C . GLU A 118 ? 0.0972 0.0824 0.0792 -0.0172 -0.0192 0.0123 118 GLU A C 904 O O . GLU A 118 ? 0.0984 0.0812 0.0936 -0.0246 -0.0069 0.0006 118 GLU A O 905 C CB . GLU A 118 ? 0.0907 0.1005 0.0908 -0.0155 -0.0165 0.0100 118 GLU A CB 906 C CG . GLU A 118 ? 0.1024 0.1303 0.1159 -0.0109 -0.0051 0.0057 118 GLU A CG 907 C CD . GLU A 118 ? 0.1116 0.1187 0.1249 -0.0145 -0.0001 0.0123 118 GLU A CD 908 O OE1 . GLU A 118 ? 0.1406 0.1339 0.1242 0.0023 -0.0004 0.0230 118 GLU A OE1 909 O OE2 . GLU A 118 ? 0.1339 0.1893 0.1691 0.0141 0.0347 0.0490 118 GLU A OE2 910 N N . SER A 119 ? 0.0964 0.0873 0.0840 -0.0258 -0.0177 0.0068 119 SER A N 911 C CA . SER A 119 ? 0.1054 0.0920 0.0840 -0.0292 -0.0091 0.0023 119 SER A CA 912 C C . SER A 119 ? 0.0944 0.1089 0.0856 -0.0191 -0.0187 0.0014 119 SER A C 913 O O . SER A 119 ? 0.1179 0.1266 0.0991 0.0016 -0.0125 0.0148 119 SER A O 914 C CB . SER A 119 ? 0.1274 0.1012 0.0979 -0.0125 0.0000 -0.0026 119 SER A CB 915 O OG . SER A 119 ? 0.1509 0.1305 0.1184 -0.0425 -0.0269 -0.0153 119 SER A OG 916 N N . THR A 120 ? 0.1133 0.1147 0.0883 -0.0057 -0.0147 0.0132 120 THR A N 917 C CA . THR A 120 ? 0.1176 0.1095 0.0939 -0.0066 -0.0214 -0.0009 120 THR A CA 918 C C . THR A 120 ? 0.1401 0.1065 0.0886 -0.0086 -0.0205 0.0024 120 THR A C 919 O O . THR A 120 ? 0.1458 0.1207 0.1011 -0.0047 -0.0171 -0.0082 120 THR A O 920 C CB . THR A 120 ? 0.1195 0.1096 0.0958 0.0042 -0.0231 -0.0135 120 THR A CB 921 O OG1 . THR A 120 ? 0.1386 0.1105 0.1007 -0.0038 -0.0174 0.0068 120 THR A OG1 922 C CG2 . THR A 120 ? 0.1187 0.1086 0.1096 -0.0064 -0.0121 -0.0053 120 THR A CG2 923 N N . ASP A 121 ? 0.1615 0.1327 0.0906 0.0025 -0.0392 -0.0035 121 ASP A N 924 C CA . ASP A 121 ? 0.2003 0.1508 0.0961 0.0067 -0.0320 -0.0055 121 ASP A CA 925 C C . ASP A 121 ? 0.1815 0.1572 0.0975 0.0190 -0.0105 -0.0031 121 ASP A C 926 O O . ASP A 121 ? 0.2765 0.2114 0.1030 0.0393 -0.0038 0.0167 121 ASP A O 927 C CB . ASP A 121 ? 0.2483 0.1684 0.1206 -0.0046 -0.0547 -0.0037 121 ASP A CB 928 C CG . ASP A 121 ? 0.2214 0.2029 0.1459 0.0056 -0.0701 -0.0044 121 ASP A CG 929 O OD1 . ASP A 121 ? 0.1836 0.1522 0.1624 -0.0153 -0.0466 0.0073 121 ASP A OD1 930 O OD2 . ASP A 121 ? 0.2673 0.3316 0.2075 0.0293 -0.1156 -0.0461 121 ASP A OD2 931 N N . GLY A 122 ? 0.1649 0.1323 0.1132 0.0127 -0.0117 0.0065 122 GLY A N 932 C CA . GLY A 122 ? 0.1528 0.1366 0.1418 0.0136 0.0142 0.0263 122 GLY A CA 933 C C . GLY A 122 ? 0.1502 0.1496 0.1245 0.0009 0.0154 0.0206 122 GLY A C 934 O O . GLY A 122 ? 0.1468 0.1429 0.1574 -0.0019 0.0171 0.0351 122 GLY A O 935 N N . SER A 123 ? 0.1508 0.1434 0.1285 -0.0012 -0.0076 0.0331 123 SER A N 936 C CA A SER A 123 ? 0.1527 0.1549 0.1448 0.0203 -0.0173 0.0335 123 SER A CA 937 C CA B SER A 123 ? 0.1526 0.1557 0.1511 0.0197 -0.0149 0.0310 123 SER A CA 938 C C . SER A 123 ? 0.1256 0.1342 0.1408 0.0033 -0.0332 0.0179 123 SER A C 939 O O . SER A 123 ? 0.1452 0.1491 0.1776 0.0189 0.0019 0.0345 123 SER A O 940 C CB A SER A 123 ? 0.1709 0.1584 0.1422 0.0140 -0.0145 0.0255 123 SER A CB 941 C CB B SER A 123 ? 0.1775 0.1631 0.1495 0.0130 -0.0153 0.0282 123 SER A CB 942 O OG A SER A 123 ? 0.2450 0.1781 0.1223 0.0290 -0.0128 0.0375 123 SER A OG 943 O OG B SER A 123 ? 0.1911 0.2142 0.2134 0.0449 -0.0153 0.0318 123 SER A OG 944 N N . SER A 124 ? 0.1383 0.1337 0.1229 0.0111 -0.0163 0.0198 124 SER A N 945 C CA . SER A 124 ? 0.1356 0.1482 0.1353 0.0164 -0.0144 0.0061 124 SER A CA 946 C C . SER A 124 ? 0.1156 0.1332 0.1310 -0.0116 -0.0122 0.0112 124 SER A C 947 O O . SER A 124 ? 0.1444 0.1414 0.1389 0.0125 -0.0047 0.0248 124 SER A O 948 C CB . SER A 124 ? 0.1331 0.2233 0.1708 0.0203 -0.0476 0.0079 124 SER A CB 949 O OG . SER A 124 ? 0.1977 0.2266 0.2233 -0.0323 -0.0413 0.0067 124 SER A OG 950 N N . SER A 125 ? 0.1372 0.1377 0.1262 0.0192 -0.0081 0.0184 125 SER A N 951 C CA . SER A 125 ? 0.1234 0.1310 0.1269 -0.0153 -0.0146 0.0267 125 SER A CA 952 C C . SER A 125 ? 0.1071 0.1421 0.1525 -0.0148 -0.0359 0.0233 125 SER A C 953 O O . SER A 125 ? 0.1192 0.1955 0.2395 -0.0142 -0.0536 0.0011 125 SER A O 954 C CB . SER A 125 ? 0.1254 0.1448 0.1458 -0.0082 -0.0100 0.0218 125 SER A CB 955 O OG . SER A 125 ? 0.1485 0.1362 0.1337 -0.0084 -0.0041 0.0138 125 SER A OG 956 N N . GLY A 126 ? 0.1227 0.1315 0.1318 -0.0128 -0.0394 0.0088 126 GLY A N 957 C CA . GLY A 126 ? 0.1616 0.1415 0.1423 -0.0064 -0.0544 0.0166 126 GLY A CA 958 C C . GLY A 126 ? 0.1376 0.1186 0.1421 -0.0174 -0.0517 0.0009 126 GLY A C 959 O O . GLY A 126 ? 0.1416 0.1374 0.1311 -0.0173 -0.0233 -0.0028 126 GLY A O 960 N N . ARG A 127 ? 0.1487 0.1198 0.1217 -0.0231 -0.0451 0.0022 127 ARG A N 961 C CA . ARG A 127 ? 0.1423 0.1266 0.1383 -0.0353 -0.0418 0.0113 127 ARG A CA 962 C C . ARG A 127 ? 0.1199 0.0975 0.1226 -0.0416 -0.0170 0.0009 127 ARG A C 963 O O . ARG A 127 ? 0.1225 0.1089 0.1171 -0.0400 -0.0176 0.0070 127 ARG A O 964 C CB . ARG A 127 ? 0.1805 0.1413 0.1914 -0.0516 -0.0950 -0.0023 127 ARG A CB 965 C CG . ARG A 127 ? 0.2790 0.2540 0.2821 -0.0266 -0.0141 -0.0581 127 ARG A CG 966 C CD . ARG A 127 ? 0.3277 0.3463 0.3320 -0.0138 -0.0284 0.0156 127 ARG A CD 967 N NE . ARG A 127 ? 0.3100 0.2223 0.4329 -0.0213 -0.0851 -0.1160 127 ARG A NE 968 C CZ . ARG A 127 ? 0.3481 0.2472 0.4337 0.0084 0.0445 -0.0256 127 ARG A CZ 969 N NH1 . ARG A 127 ? 0.3244 0.2600 0.3746 0.0066 0.0028 0.0084 127 ARG A NH1 970 N NH2 . ARG A 127 ? 0.2067 0.1935 0.2580 -0.0290 -0.0421 -0.0567 127 ARG A NH2 971 N N . VAL A 128 ? 0.1070 0.1276 0.1339 -0.0438 -0.0249 0.0200 128 VAL A N 972 C CA . VAL A 128 ? 0.1167 0.1205 0.1156 -0.0222 -0.0243 0.0136 128 VAL A CA 973 C C . VAL A 128 ? 0.1162 0.1054 0.1126 -0.0374 -0.0253 0.0026 128 VAL A C 974 O O . VAL A 128 ? 0.1309 0.1105 0.1647 -0.0457 -0.0334 -0.0062 128 VAL A O 975 C CB . VAL A 128 ? 0.1803 0.1592 0.1336 0.0088 -0.0020 0.0154 128 VAL A CB 976 C CG1 . VAL A 128 ? 0.2196 0.2600 0.1424 -0.0116 -0.0314 0.0331 128 VAL A CG1 977 C CG2 . VAL A 128 ? 0.2175 0.2162 0.1695 0.0730 -0.0106 0.0003 128 VAL A CG2 978 N N . VAL A 129 ? 0.1082 0.0865 0.0921 -0.0247 -0.0237 -0.0057 129 VAL A N 979 C CA . VAL A 129 ? 0.1023 0.0922 0.0954 -0.0235 -0.0219 -0.0114 129 VAL A CA 980 C C . VAL A 129 ? 0.1132 0.0859 0.0940 -0.0233 -0.0250 -0.0065 129 VAL A C 981 O O . VAL A 129 ? 0.1282 0.0918 0.1002 -0.0093 -0.0389 -0.0161 129 VAL A O 982 C CB . VAL A 129 ? 0.1192 0.1121 0.0940 -0.0311 -0.0170 0.0033 129 VAL A CB 983 C CG1 . VAL A 129 ? 0.1671 0.1381 0.0955 -0.0150 -0.0260 -0.0153 129 VAL A CG1 984 C CG2 . VAL A 129 ? 0.1282 0.1112 0.1218 -0.0320 -0.0067 -0.0069 129 VAL A CG2 985 N N . THR A 130 ? 0.1049 0.0908 0.1055 -0.0185 -0.0285 -0.0144 130 THR A N 986 C CA A THR A 130 ? 0.1228 0.1065 0.0844 -0.0056 -0.0158 -0.0071 130 THR A CA 987 C CA B THR A 130 ? 0.1230 0.0993 0.0912 -0.0022 -0.0225 -0.0057 130 THR A CA 988 C C . THR A 130 ? 0.1259 0.0878 0.0838 -0.0014 -0.0216 -0.0134 130 THR A C 989 O O . THR A 130 ? 0.1500 0.1127 0.0963 0.0100 -0.0294 -0.0393 130 THR A O 990 C CB A THR A 130 ? 0.1533 0.1182 0.1374 0.0027 -0.0128 0.0308 130 THR A CB 991 C CB B THR A 130 ? 0.1625 0.1193 0.1318 0.0063 0.0057 0.0183 130 THR A CB 992 O OG1 A THR A 130 ? 0.1517 0.1751 0.2406 -0.0264 0.0299 0.0393 130 THR A OG1 993 O OG1 B THR A 130 ? 0.2258 0.1030 0.2146 0.0153 0.0472 0.0531 130 THR A OG1 994 C CG2 A THR A 130 ? 0.2034 0.1958 0.1205 -0.0106 -0.0039 0.0518 130 THR A CG2 995 C CG2 B THR A 130 ? 0.1554 0.1753 0.1846 -0.0249 0.0000 0.0300 130 THR A CG2 996 N N . VAL A 131 ? 0.1146 0.0925 0.0833 0.0049 -0.0189 -0.0266 131 VAL A N 997 C CA . VAL A 131 ? 0.1100 0.0944 0.0812 -0.0039 -0.0102 -0.0230 131 VAL A CA 998 C C . VAL A 131 ? 0.1034 0.0790 0.0901 -0.0083 -0.0113 -0.0194 131 VAL A C 999 O O . VAL A 131 ? 0.1107 0.0839 0.0797 0.0076 0.0023 -0.0109 131 VAL A O 1000 C CB . VAL A 131 ? 0.1140 0.0685 0.0823 0.0023 -0.0043 -0.0098 131 VAL A CB 1001 C CG1 . VAL A 131 ? 0.1090 0.0925 0.0962 -0.0058 -0.0016 -0.0148 131 VAL A CG1 1002 C CG2 . VAL A 131 ? 0.1407 0.1072 0.0809 -0.0004 -0.0167 0.0007 131 VAL A CG2 1003 N N . PRO A 132 ? 0.1126 0.0779 0.1001 -0.0127 -0.0146 -0.0169 132 PRO A N 1004 C CA . PRO A 132 ? 0.1000 0.0750 0.1189 -0.0154 -0.0125 -0.0062 132 PRO A CA 1005 C C . PRO A 132 ? 0.1036 0.0643 0.1003 -0.0095 0.0018 -0.0101 132 PRO A C 1006 O O . PRO A 132 ? 0.0986 0.0841 0.1079 -0.0198 0.0086 -0.0080 132 PRO A O 1007 C CB . PRO A 132 ? 0.1329 0.0828 0.1733 -0.0303 -0.0287 -0.0004 132 PRO A CB 1008 C CG . PRO A 132 ? 0.2044 0.1245 0.1855 -0.0347 -0.0225 -0.0288 132 PRO A CG 1009 C CD . PRO A 132 ? 0.1508 0.0835 0.1319 -0.0066 -0.0230 -0.0312 132 PRO A CD 1010 N N . ARG A 133 ? 0.1030 0.0579 0.0900 -0.0087 0.0010 -0.0057 133 ARG A N 1011 C CA . ARG A 133 ? 0.0937 0.0592 0.0869 -0.0109 0.0039 -0.0041 133 ARG A CA 1012 C C . ARG A 133 ? 0.0835 0.0633 0.0860 -0.0049 0.0041 -0.0013 133 ARG A C 1013 O O . ARG A 133 ? 0.1005 0.0821 0.1585 -0.0006 0.0328 0.0008 133 ARG A O 1014 C CB . ARG A 133 ? 0.1020 0.0707 0.1162 -0.0057 -0.0032 -0.0046 133 ARG A CB 1015 C CG . ARG A 133 ? 0.1387 0.0810 0.1404 -0.0048 0.0018 0.0132 133 ARG A CG 1016 C CD . ARG A 133 ? 0.1852 0.0728 0.1895 -0.0007 0.0098 0.0283 133 ARG A CD 1017 N NE . ARG A 133 ? 0.2251 0.2003 0.2958 0.0435 -0.0320 0.0036 133 ARG A NE 1018 C CZ . ARG A 133 ? 0.3437 0.2458 0.4102 0.1210 -0.0620 0.0458 133 ARG A CZ 1019 N NH1 . ARG A 133 ? 0.3834 0.2316 0.9898 0.0535 -0.2665 0.2132 133 ARG A NH1 1020 N NH2 . ARG A 133 ? 0.3197 0.2531 0.5187 0.1424 -0.1050 0.0012 133 ARG A NH2 1021 N N . PHE A 134 ? 0.0750 0.0653 0.0759 -0.0111 0.0047 -0.0004 134 PHE A N 1022 C CA . PHE A 134 ? 0.0736 0.0683 0.0646 -0.0081 0.0032 0.0021 134 PHE A CA 1023 C C . PHE A 134 ? 0.0711 0.0567 0.0615 -0.0044 0.0049 -0.0007 134 PHE A C 1024 O O . PHE A 134 ? 0.0722 0.0817 0.0607 -0.0129 0.0033 -0.0002 134 PHE A O 1025 C CB . PHE A 134 ? 0.0724 0.0681 0.0630 -0.0095 0.0005 -0.0013 134 PHE A CB 1026 C CG . PHE A 134 ? 0.0600 0.0681 0.0689 -0.0022 0.0029 0.0021 134 PHE A CG 1027 C CD1 . PHE A 134 ? 0.0801 0.0646 0.0682 -0.0004 0.0019 -0.0020 134 PHE A CD1 1028 C CD2 . PHE A 134 ? 0.0852 0.0890 0.0710 -0.0160 -0.0127 0.0076 134 PHE A CD2 1029 C CE1 . PHE A 134 ? 0.0829 0.0628 0.0799 -0.0053 0.0052 -0.0051 134 PHE A CE1 1030 C CE2 . PHE A 134 ? 0.1004 0.0911 0.0758 -0.0119 -0.0058 0.0098 134 PHE A CE2 1031 C CZ . PHE A 134 ? 0.0936 0.0631 0.0875 -0.0123 0.0027 0.0117 134 PHE A CZ 1032 N N . ILE A 135 ? 0.0696 0.0562 0.0562 -0.0085 0.0075 0.0016 135 ILE A N 1033 C CA . ILE A 135 ? 0.0727 0.0568 0.0588 -0.0068 0.0062 0.0003 135 ILE A CA 1034 C C . ILE A 135 ? 0.0600 0.0565 0.0611 -0.0075 0.0013 0.0013 135 ILE A C 1035 O O . ILE A 135 ? 0.0866 0.0532 0.0570 -0.0100 0.0000 0.0015 135 ILE A O 1036 C CB . ILE A 135 ? 0.0719 0.0672 0.0714 -0.0024 0.0087 0.0052 135 ILE A CB 1037 C CG1 . ILE A 135 ? 0.0833 0.0725 0.0810 -0.0011 0.0140 -0.0055 135 ILE A CG1 1038 C CG2 . ILE A 135 ? 0.0705 0.0980 0.0827 -0.0089 0.0065 -0.0025 135 ILE A CG2 1039 C CD1 . ILE A 135 ? 0.1115 0.0898 0.1312 0.0076 0.0480 -0.0253 135 ILE A CD1 1040 N N . PHE A 136 ? 0.0642 0.0592 0.0585 0.0011 0.0009 0.0010 136 PHE A N 1041 C CA . PHE A 136 ? 0.0642 0.0555 0.0589 -0.0085 0.0024 0.0032 136 PHE A CA 1042 C C . PHE A 136 ? 0.0612 0.0559 0.0546 -0.0052 0.0010 0.0036 136 PHE A C 1043 O O . PHE A 136 ? 0.0727 0.0578 0.0640 -0.0026 -0.0048 0.0032 136 PHE A O 1044 C CB . PHE A 136 ? 0.0654 0.0631 0.0572 0.0012 -0.0064 -0.0011 136 PHE A CB 1045 C CG . PHE A 136 ? 0.0522 0.0640 0.0694 -0.0051 -0.0050 -0.0044 136 PHE A CG 1046 C CD1 . PHE A 136 ? 0.0593 0.0599 0.0737 -0.0017 0.0029 -0.0011 136 PHE A CD1 1047 C CD2 . PHE A 136 ? 0.0575 0.0679 0.0887 -0.0072 0.0029 -0.0075 136 PHE A CD2 1048 C CE1 . PHE A 136 ? 0.0577 0.0825 0.0700 -0.0044 0.0074 -0.0038 136 PHE A CE1 1049 C CE2 . PHE A 136 ? 0.0647 0.0707 0.1030 -0.0083 0.0041 -0.0004 136 PHE A CE2 1050 C CZ . PHE A 136 ? 0.0566 0.0861 0.0900 -0.0084 0.0045 0.0078 136 PHE A CZ 1051 N N . SER A 137 ? 0.0535 0.0568 0.0598 -0.0019 -0.0005 0.0016 137 SER A N 1052 C CA . SER A 137 ? 0.0568 0.0627 0.0625 -0.0005 -0.0022 -0.0072 137 SER A CA 1053 C C . SER A 137 ? 0.0528 0.0567 0.0617 -0.0044 -0.0024 0.0006 137 SER A C 1054 O O . SER A 137 ? 0.0631 0.0657 0.0612 0.0046 0.0033 0.0012 137 SER A O 1055 C CB . SER A 137 ? 0.0564 0.0813 0.0751 -0.0106 0.0078 -0.0090 137 SER A CB 1056 O OG . SER A 137 ? 0.0674 0.1195 0.0855 -0.0238 0.0031 -0.0262 137 SER A OG 1057 N N . CYS A 138 ? 0.0588 0.0625 0.0673 0.0064 0.0000 0.0063 138 CYS A N 1058 C CA . CYS A 138 ? 0.0593 0.0714 0.0670 -0.0018 0.0025 0.0038 138 CYS A CA 1059 C C . CYS A 138 ? 0.0554 0.0886 0.0687 -0.0021 -0.0034 -0.0043 138 CYS A C 1060 O O . CYS A 138 ? 0.0652 0.0980 0.0871 -0.0114 0.0066 -0.0091 138 CYS A O 1061 C CB . CYS A 138 ? 0.0785 0.0905 0.0745 -0.0038 0.0036 0.0116 138 CYS A CB 1062 S SG . CYS A 138 ? 0.1054 0.0780 0.0908 -0.0053 0.0108 0.0074 138 CYS A SG 1063 N N . ALA A 139 ? 0.0611 0.0803 0.0728 -0.0051 0.0032 -0.0042 139 ALA A N 1064 C CA . ALA A 139 ? 0.0693 0.0787 0.0728 -0.0073 0.0031 -0.0026 139 ALA A CA 1065 C C . ALA A 139 ? 0.0770 0.0781 0.0668 -0.0001 -0.0035 0.0000 139 ALA A C 1066 O O . ALA A 139 ? 0.0774 0.1142 0.0714 -0.0050 0.0061 -0.0039 139 ALA A O 1067 C CB . ALA A 139 ? 0.1110 0.0886 0.0790 -0.0010 0.0063 0.0067 139 ALA A CB 1068 N N . PRO A 140 ? 0.0941 0.0736 0.0765 -0.0015 0.0045 -0.0030 140 PRO A N 1069 C CA . PRO A 140 ? 0.1007 0.0901 0.0628 0.0020 0.0047 0.0051 140 PRO A CA 1070 C C . PRO A 140 ? 0.0992 0.0742 0.0505 -0.0112 -0.0017 -0.0053 140 PRO A C 1071 O O . PRO A 140 ? 0.0996 0.0743 0.0610 -0.0116 0.0072 -0.0038 140 PRO A O 1072 C CB . PRO A 140 ? 0.1129 0.1061 0.0784 0.0080 -0.0137 -0.0081 140 PRO A CB 1073 C CG . PRO A 140 ? 0.1147 0.1186 0.1037 -0.0198 -0.0151 -0.0147 140 PRO A CG 1074 C CD . PRO A 140 ? 0.0988 0.0910 0.0873 -0.0123 -0.0013 0.0000 140 PRO A CD 1075 N N . THR A 141 ? 0.0938 0.0640 0.0585 -0.0148 0.0005 -0.0016 141 THR A N 1076 C CA . THR A 141 ? 0.0888 0.0701 0.0544 -0.0137 -0.0079 -0.0020 141 THR A CA 1077 C C . THR A 141 ? 0.0840 0.0716 0.0490 -0.0083 -0.0007 -0.0047 141 THR A C 1078 O O . THR A 141 ? 0.0820 0.0740 0.0615 -0.0105 0.0011 0.0018 141 THR A O 1079 C CB . THR A 141 ? 0.0966 0.0720 0.0574 -0.0172 0.0003 -0.0029 141 THR A CB 1080 O OG1 . THR A 141 ? 0.1157 0.0757 0.0636 -0.0288 0.0085 -0.0028 141 THR A OG1 1081 C CG2 . THR A 141 ? 0.1015 0.0874 0.0659 -0.0092 0.0068 -0.0074 141 THR A CG2 1082 N N . SER A 142 ? 0.0927 0.0725 0.0542 -0.0092 -0.0084 -0.0057 142 SER A N 1083 C CA . SER A 142 ? 0.0940 0.0787 0.0664 -0.0105 -0.0042 -0.0124 142 SER A CA 1084 C C . SER A 142 ? 0.0886 0.0722 0.0706 -0.0143 -0.0106 -0.0055 142 SER A C 1085 O O . SER A 142 ? 0.1136 0.0759 0.0816 -0.0199 -0.0078 -0.0035 142 SER A O 1086 C CB . SER A 142 ? 0.1213 0.1166 0.0750 -0.0405 -0.0153 -0.0051 142 SER A CB 1087 O OG . SER A 142 ? 0.1362 0.1631 0.1989 -0.0135 -0.0489 0.0269 142 SER A OG 1088 N N . LEU A 143 ? 0.0837 0.0709 0.0658 -0.0095 -0.0015 0.0020 143 LEU A N 1089 C CA . LEU A 143 ? 0.0819 0.0612 0.0751 -0.0139 0.0059 0.0028 143 LEU A CA 1090 C C . LEU A 143 ? 0.0897 0.0642 0.0627 -0.0124 0.0059 -0.0004 143 LEU A C 1091 O O . LEU A 143 ? 0.0942 0.0724 0.0720 -0.0094 0.0095 0.0058 143 LEU A O 1092 C CB . LEU A 143 ? 0.0735 0.0720 0.0820 -0.0045 0.0004 -0.0009 143 LEU A CB 1093 C CG . LEU A 143 ? 0.0815 0.0787 0.0918 -0.0065 0.0109 0.0023 143 LEU A CG 1094 C CD1 . LEU A 143 ? 0.0857 0.1020 0.1205 -0.0221 0.0063 0.0054 143 LEU A CD1 1095 C CD2 . LEU A 143 ? 0.0884 0.0926 0.0957 -0.0038 0.0163 -0.0010 143 LEU A CD2 1096 N N . LEU A 144 ? 0.0879 0.0633 0.0541 -0.0084 0.0001 0.0051 144 LEU A N 1097 C CA . LEU A 144 ? 0.0846 0.0663 0.0563 -0.0042 0.0063 -0.0077 144 LEU A CA 1098 C C . LEU A 144 ? 0.0876 0.0628 0.0527 -0.0099 0.0026 -0.0007 144 LEU A C 1099 O O . LEU A 144 ? 0.0993 0.0707 0.0562 -0.0016 0.0004 -0.0025 144 LEU A O 1100 C CB . LEU A 144 ? 0.0909 0.0683 0.0567 -0.0084 0.0075 0.0005 144 LEU A CB 1101 C CG . LEU A 144 ? 0.0756 0.0677 0.0645 -0.0056 -0.0028 -0.0068 144 LEU A CG 1102 C CD1 . LEU A 144 ? 0.0957 0.0730 0.0825 -0.0107 0.0083 0.0080 144 LEU A CD1 1103 C CD2 . LEU A 144 ? 0.1042 0.0818 0.0627 -0.0070 -0.0071 -0.0105 144 LEU A CD2 1104 N N . GLN A 145 ? 0.0935 0.0680 0.0593 -0.0100 -0.0037 -0.0062 145 GLN A N 1105 C CA . GLN A 145 ? 0.1022 0.0695 0.0568 -0.0050 0.0025 -0.0090 145 GLN A CA 1106 C C . GLN A 145 ? 0.1005 0.0650 0.0611 -0.0118 -0.0054 -0.0106 145 GLN A C 1107 O O . GLN A 145 ? 0.1118 0.0739 0.0609 -0.0130 0.0045 -0.0065 145 GLN A O 1108 C CB . GLN A 145 ? 0.1206 0.0773 0.0702 -0.0151 -0.0111 -0.0033 145 GLN A CB 1109 C CG . GLN A 145 ? 0.1553 0.0907 0.0809 -0.0178 -0.0142 -0.0248 145 GLN A CG 1110 C CD . GLN A 145 ? 0.1770 0.1230 0.1179 -0.0442 -0.0174 -0.0446 145 GLN A CD 1111 O OE1 . GLN A 145 ? 0.2507 0.4644 0.1350 -0.1525 -0.0551 0.0485 145 GLN A OE1 1112 N NE2 . GLN A 145 ? 0.2374 0.4026 0.1464 -0.1524 0.0226 -0.0742 145 GLN A NE2 1113 N N . ASN A 146 ? 0.1114 0.0710 0.0577 -0.0055 0.0035 -0.0054 146 ASN A N 1114 C CA . ASN A 146 ? 0.1291 0.0659 0.0680 -0.0014 -0.0021 -0.0059 146 ASN A CA 1115 C C . ASN A 146 ? 0.1279 0.0617 0.0688 0.0101 -0.0024 -0.0047 146 ASN A C 1116 O O . ASN A 146 ? 0.1918 0.0623 0.0810 0.0065 -0.0209 0.0003 146 ASN A O 1117 C CB . ASN A 146 ? 0.1437 0.0623 0.0997 -0.0119 -0.0043 0.0041 146 ASN A CB 1118 C CG . ASN A 146 ? 0.2035 0.0802 0.1675 -0.0084 -0.0119 -0.0316 146 ASN A CG 1119 O OD1 . ASN A 146 ? 0.3378 0.1855 0.1763 -0.0759 0.0177 -0.0802 146 ASN A OD1 1120 N ND2 . ASN A 146 ? 0.2258 0.3624 0.4022 -0.0522 -0.0380 -0.2172 146 ASN A ND2 1121 N N . LEU A 147 ? 0.1124 0.0677 0.0621 -0.0014 -0.0073 -0.0016 147 LEU A N 1122 C CA . LEU A 147 ? 0.1048 0.0738 0.0602 0.0026 -0.0041 -0.0052 147 LEU A CA 1123 C C . LEU A 147 ? 0.1065 0.0834 0.0752 0.0142 -0.0045 -0.0156 147 LEU A C 1124 O O . LEU A 147 ? 0.1204 0.1173 0.0726 0.0218 -0.0027 -0.0092 147 LEU A O 1125 C CB . LEU A 147 ? 0.0964 0.0701 0.0534 0.0040 -0.0007 -0.0030 147 LEU A CB 1126 C CG . LEU A 147 ? 0.0921 0.0836 0.0547 -0.0051 -0.0047 -0.0033 147 LEU A CG 1127 C CD1 . LEU A 147 ? 0.1188 0.0894 0.0697 0.0126 0.0088 -0.0113 147 LEU A CD1 1128 C CD2 . LEU A 147 ? 0.1100 0.1021 0.0710 -0.0044 0.0030 0.0110 147 LEU A CD2 1129 N N . ALA A 148 ? 0.1065 0.0778 0.0770 0.0138 -0.0041 -0.0064 148 ALA A N 1130 C CA . ALA A 148 ? 0.1066 0.0814 0.1006 0.0273 -0.0080 0.0020 148 ALA A CA 1131 C C . ALA A 148 ? 0.1136 0.0853 0.0940 0.0215 -0.0058 0.0019 148 ALA A C 1132 O O . ALA A 148 ? 0.1085 0.0859 0.1282 0.0155 0.0028 0.0066 148 ALA A O 1133 C CB . ALA A 148 ? 0.1328 0.0965 0.1093 0.0001 -0.0295 0.0203 148 ALA A CB 1134 N N . SER A 149 ? 0.1272 0.0942 0.1069 0.0334 0.0142 0.0025 149 SER A N 1135 C CA . SER A 149 ? 0.1618 0.1136 0.1131 0.0432 0.0377 0.0145 149 SER A CA 1136 C C . SER A 149 ? 0.1181 0.1144 0.1524 0.0337 0.0452 0.0050 149 SER A C 1137 O O . SER A 149 ? 0.1231 0.1277 0.1853 0.0222 -0.0026 0.0002 149 SER A O 1138 C CB . SER A 149 ? 0.1720 0.1463 0.1490 0.0507 0.0446 -0.0095 149 SER A CB 1139 O OG . SER A 149 ? 0.2622 0.2542 0.2642 0.0372 0.1202 0.0298 149 SER A OG 1140 N N . GLY A 150 ? 0.1582 0.1163 0.1631 0.0351 0.0779 0.0143 150 GLY A N 1141 C CA . GLY A 150 ? 0.1305 0.1345 0.2396 0.0261 0.0939 0.0021 150 GLY A CA 1142 C C . GLY A 150 ? 0.1274 0.1075 0.1940 0.0071 0.0872 0.0114 150 GLY A C 1143 O O . GLY A 150 ? 0.1576 0.1145 0.3301 -0.0126 0.1399 -0.0150 150 GLY A O 1144 N N . VAL A 151 ? 0.0939 0.0987 0.1165 0.0286 0.0364 0.0262 151 VAL A N 1145 C CA . VAL A 151 ? 0.0914 0.1177 0.0952 0.0409 0.0291 0.0271 151 VAL A CA 1146 C C . VAL A 151 ? 0.1195 0.1324 0.0709 0.0537 0.0421 0.0339 151 VAL A C 1147 O O . VAL A 151 ? 0.2027 0.1731 0.0737 0.1061 0.0337 0.0190 151 VAL A O 1148 C CB . VAL A 151 ? 0.0715 0.1802 0.1232 0.0243 0.0171 0.0627 151 VAL A CB 1149 C CG1 . VAL A 151 ? 0.1019 0.1315 0.1152 0.0208 0.0082 0.0509 151 VAL A CG1 1150 C CG2 . VAL A 151 ? 0.1533 0.1170 0.1226 -0.0077 0.0251 0.0057 151 VAL A CG2 1151 N N . VAL A 152 ? 0.0745 0.1061 0.0679 0.0231 0.0236 0.0284 152 VAL A N 1152 C CA . VAL A 152 ? 0.0828 0.0953 0.0679 0.0173 0.0133 0.0250 152 VAL A CA 1153 C C . VAL A 152 ? 0.0730 0.0691 0.0446 0.0020 0.0057 0.0049 152 VAL A C 1154 O O . VAL A 152 ? 0.0732 0.0709 0.0604 0.0043 0.0074 0.0139 152 VAL A O 1155 C CB . VAL A 152 ? 0.0756 0.1179 0.1089 -0.0003 0.0095 0.0561 152 VAL A CB 1156 C CG1 . VAL A 152 ? 0.0777 0.2043 0.1346 0.0009 0.0237 0.0771 152 VAL A CG1 1157 C CG2 . VAL A 152 ? 0.0926 0.1163 0.1301 -0.0172 -0.0086 0.0374 152 VAL A CG2 1158 N N . GLY A 153 ? 0.0611 0.0604 0.0535 0.0025 0.0088 0.0067 153 GLY A N 1159 C CA . GLY A 153 ? 0.0628 0.0678 0.0507 0.0035 0.0096 0.0020 153 GLY A CA 1160 C C . GLY A 153 ? 0.0563 0.0573 0.0513 -0.0067 0.0002 -0.0029 153 GLY A C 1161 O O . GLY A 153 ? 0.0667 0.0612 0.0552 -0.0002 0.0056 0.0020 153 GLY A O 1162 N N . MET A 154 ? 0.0634 0.0505 0.0545 0.0002 0.0090 0.0061 154 MET A N 1163 C CA . MET A 154 ? 0.0689 0.0480 0.0548 0.0032 0.0052 0.0047 154 MET A CA 1164 C C . MET A 154 ? 0.0605 0.0540 0.0540 0.0023 0.0064 0.0045 154 MET A C 1165 O O . MET A 154 ? 0.0879 0.0571 0.0543 0.0101 0.0031 0.0049 154 MET A O 1166 C CB . MET A 154 ? 0.0708 0.0650 0.0678 -0.0109 0.0025 0.0046 154 MET A CB 1167 C CG . MET A 154 ? 0.0858 0.0520 0.0732 -0.0106 0.0000 0.0049 154 MET A CG 1168 S SD . MET A 154 ? 0.0864 0.0729 0.0905 -0.0190 -0.0080 0.0070 154 MET A SD 1169 C CE . MET A 154 ? 0.0892 0.0887 0.1068 -0.0212 -0.0045 0.0262 154 MET A CE 1170 N N . ALA A 155 ? 0.0599 0.0484 0.0511 0.0015 0.0086 0.0029 155 ALA A N 1171 C CA . ALA A 155 ? 0.0678 0.0580 0.0517 -0.0020 0.0103 -0.0023 155 ALA A CA 1172 C C . ALA A 155 ? 0.0665 0.0531 0.0483 0.0006 0.0090 -0.0036 155 ALA A C 1173 O O . ALA A 155 ? 0.0732 0.0621 0.0614 -0.0035 0.0110 0.0076 155 ALA A O 1174 C CB . ALA A 155 ? 0.0654 0.0898 0.0620 -0.0091 0.0032 -0.0085 155 ALA A CB 1175 N N . GLY A 156 ? 0.0672 0.0588 0.0543 0.0008 0.0138 0.0047 156 GLY A N 1176 C CA . GLY A 156 ? 0.0609 0.0601 0.0618 -0.0021 0.0053 0.0025 156 GLY A CA 1177 C C . GLY A 156 ? 0.0551 0.0565 0.0627 0.0010 0.0188 0.0003 156 GLY A C 1178 O O . GLY A 156 ? 0.0808 0.0575 0.0626 0.0005 0.0128 0.0024 156 GLY A O 1179 N N . LEU A 157 ? 0.0580 0.0496 0.0552 -0.0067 0.0078 -0.0016 157 LEU A N 1180 C CA . LEU A 157 ? 0.0619 0.0524 0.0541 -0.0068 0.0105 -0.0012 157 LEU A CA 1181 C C . LEU A 157 ? 0.0671 0.0588 0.0571 -0.0086 0.0092 0.0027 157 LEU A C 1182 O O . LEU A 157 ? 0.0688 0.0810 0.0598 -0.0045 0.0119 0.0080 157 LEU A O 1183 C CB . LEU A 157 ? 0.0605 0.0633 0.0623 -0.0033 0.0095 -0.0014 157 LEU A CB 1184 C CG . LEU A 157 ? 0.0623 0.0722 0.0651 0.0064 0.0045 -0.0058 157 LEU A CG 1185 C CD1 . LEU A 157 ? 0.0724 0.0924 0.0712 0.0161 -0.0005 -0.0077 157 LEU A CD1 1186 C CD2 . LEU A 157 ? 0.0647 0.0869 0.0827 -0.0105 0.0085 -0.0019 157 LEU A CD2 1187 N N . GLY A 158 ? 0.0620 0.0605 0.0565 -0.0019 0.0149 0.0047 158 GLY A N 1188 C CA . GLY A 158 ? 0.0545 0.0634 0.0661 -0.0062 0.0068 0.0011 158 GLY A CA 1189 C C . GLY A 158 ? 0.0579 0.0655 0.0703 -0.0065 0.0068 0.0014 158 GLY A C 1190 O O . GLY A 158 ? 0.0748 0.0684 0.0931 -0.0154 0.0202 -0.0093 158 GLY A O 1191 N N . ARG A 159 ? 0.0588 0.0656 0.0896 -0.0013 0.0142 0.0015 159 ARG A N 1192 C CA . ARG A 159 ? 0.0790 0.0680 0.1017 0.0034 0.0256 0.0003 159 ARG A CA 1193 C C . ARG A 159 ? 0.0761 0.0776 0.1354 0.0132 0.0292 0.0057 159 ARG A C 1194 O O . ARG A 159 ? 0.0698 0.1159 0.2111 0.0033 0.0211 0.0392 159 ARG A O 1195 C CB . ARG A 159 ? 0.0810 0.0807 0.1030 0.0001 0.0280 0.0026 159 ARG A CB 1196 C CG . ARG A 159 ? 0.0930 0.0895 0.0951 0.0087 0.0276 0.0053 159 ARG A CG 1197 C CD . ARG A 159 ? 0.0923 0.1021 0.0896 -0.0009 0.0209 0.0047 159 ARG A CD 1198 N NE . ARG A 159 ? 0.1020 0.0948 0.1082 0.0000 0.0339 0.0014 159 ARG A NE 1199 C CZ . ARG A 159 ? 0.1208 0.1066 0.1006 0.0019 0.0475 0.0097 159 ARG A CZ 1200 N NH1 . ARG A 159 ? 0.1639 0.1005 0.1320 -0.0031 0.0773 -0.0018 159 ARG A NH1 1201 N NH2 . ARG A 159 ? 0.1017 0.1040 0.0977 -0.0033 0.0367 0.0119 159 ARG A NH2 1202 N N . THR A 160 ? 0.0671 0.0748 0.1111 0.0059 0.0158 0.0088 160 THR A N 1203 C CA . THR A 160 ? 0.0768 0.0776 0.0938 0.0188 0.0098 0.0005 160 THR A CA 1204 C C . THR A 160 ? 0.0759 0.0729 0.0886 0.0126 0.0146 0.0075 160 THR A C 1205 O O . THR A 160 ? 0.0891 0.0776 0.1245 0.0123 -0.0070 0.0042 160 THR A O 1206 C CB . THR A 160 ? 0.0682 0.0779 0.0967 0.0090 0.0027 -0.0073 160 THR A CB 1207 O OG1 . THR A 160 ? 0.0713 0.1233 0.1018 0.0114 0.0130 -0.0184 160 THR A OG1 1208 C CG2 . THR A 160 ? 0.0984 0.0895 0.1335 0.0045 0.0018 -0.0264 160 THR A CG2 1209 N N . ARG A 161 ? 0.0810 0.0716 0.0891 0.0198 0.0145 -0.0033 161 ARG A N 1210 C CA . ARG A 161 ? 0.1023 0.0720 0.0931 0.0046 0.0258 -0.0147 161 ARG A CA 1211 C C . ARG A 161 ? 0.0926 0.0682 0.0888 0.0172 0.0205 0.0005 161 ARG A C 1212 O O . ARG A 161 ? 0.1039 0.1090 0.0949 -0.0022 0.0103 -0.0251 161 ARG A O 1213 C CB . ARG A 161 ? 0.1073 0.0778 0.1250 0.0100 0.0301 -0.0188 161 ARG A CB 1214 C CG . ARG A 161 ? 0.1109 0.1115 0.1412 -0.0040 0.0337 -0.0241 161 ARG A CG 1215 C CD . ARG A 161 ? 0.1061 0.1311 0.1488 0.0084 0.0250 -0.0385 161 ARG A CD 1216 N NE . ARG A 161 ? 0.0997 0.1443 0.1484 0.0017 0.0167 -0.0431 161 ARG A NE 1217 C CZ . ARG A 161 ? 0.1079 0.1497 0.1720 0.0025 0.0192 -0.0590 161 ARG A CZ 1218 N NH1 . ARG A 161 ? 0.1125 0.1856 0.1432 0.0183 0.0127 -0.0546 161 ARG A NH1 1219 N NH2 . ARG A 161 ? 0.1587 0.1585 0.1818 -0.0059 -0.0183 -0.0615 161 ARG A NH2 1220 N N . ILE A 162 ? 0.1012 0.0600 0.0853 -0.0002 0.0287 -0.0082 162 ILE A N 1221 C CA . ILE A 162 ? 0.1025 0.0613 0.0758 -0.0087 0.0184 -0.0069 162 ILE A CA 1222 C C . ILE A 162 ? 0.0918 0.0654 0.0580 -0.0088 0.0112 -0.0066 162 ILE A C 1223 O O . ILE A 162 ? 0.0938 0.0648 0.0726 -0.0137 0.0151 0.0021 162 ILE A O 1224 C CB . ILE A 162 ? 0.0980 0.0688 0.0737 -0.0003 0.0131 -0.0041 162 ILE A CB 1225 C CG1 . ILE A 162 ? 0.0985 0.0828 0.1020 -0.0001 -0.0026 -0.0105 162 ILE A CG1 1226 C CG2 . ILE A 162 ? 0.1531 0.0620 0.1051 0.0079 0.0220 0.0042 162 ILE A CG2 1227 C CD1 . ILE A 162 ? 0.1217 0.1251 0.1019 0.0169 -0.0092 -0.0075 162 ILE A CD1 1228 N N . ALA A 163 ? 0.0825 0.0633 0.0670 -0.0059 0.0173 -0.0035 163 ALA A N 1229 C CA . ALA A 163 ? 0.0769 0.0646 0.0648 -0.0055 0.0148 -0.0019 163 ALA A CA 1230 C C . ALA A 163 ? 0.0908 0.0626 0.0512 -0.0124 0.0070 -0.0017 163 ALA A C 1231 O O . ALA A 163 ? 0.1016 0.0675 0.0662 -0.0098 0.0065 -0.0138 163 ALA A O 1232 C CB . ALA A 163 ? 0.0858 0.0630 0.0945 -0.0093 0.0100 0.0039 163 ALA A CB 1233 N N . LEU A 164 ? 0.0904 0.0624 0.0632 -0.0072 0.0030 -0.0060 164 LEU A N 1234 C CA . LEU A 164 ? 0.0964 0.0655 0.0644 -0.0045 -0.0137 0.0013 164 LEU A CA 1235 C C . LEU A 164 ? 0.1177 0.0575 0.0629 -0.0012 -0.0071 -0.0001 164 LEU A C 1236 O O . LEU A 164 ? 0.1152 0.0610 0.0724 -0.0030 -0.0159 -0.0081 164 LEU A O 1237 C CB . LEU A 164 ? 0.0967 0.0641 0.0722 -0.0053 -0.0058 0.0030 164 LEU A CB 1238 C CG . LEU A 164 ? 0.1092 0.0737 0.0876 -0.0184 0.0087 0.0038 164 LEU A CG 1239 C CD1 . LEU A 164 ? 0.1114 0.1288 0.0853 -0.0075 0.0071 0.0182 164 LEU A CD1 1240 C CD2 . LEU A 164 ? 0.1170 0.0844 0.0933 0.0030 -0.0060 -0.0041 164 LEU A CD2 1241 N N . PRO A 165 ? 0.1453 0.0562 0.0566 -0.0065 0.0022 -0.0042 165 PRO A N 1242 C CA . PRO A 165 ? 0.1586 0.0709 0.0615 -0.0020 -0.0078 0.0004 165 PRO A CA 1243 C C . PRO A 165 ? 0.1415 0.0698 0.0585 -0.0104 -0.0054 0.0019 165 PRO A C 1244 O O . PRO A 165 ? 0.1329 0.0814 0.0742 0.0032 -0.0054 -0.0148 165 PRO A O 1245 C CB . PRO A 165 ? 0.1848 0.0713 0.0729 -0.0053 0.0075 0.0050 165 PRO A CB 1246 C CG . PRO A 165 ? 0.1475 0.0633 0.0839 -0.0043 0.0089 0.0045 165 PRO A CG 1247 C CD . PRO A 165 ? 0.1206 0.0599 0.0715 -0.0102 0.0112 -0.0053 165 PRO A CD 1248 N N . SER A 166 ? 0.1396 0.0713 0.0597 -0.0169 -0.0027 -0.0031 166 SER A N 1249 C CA . SER A 166 ? 0.1180 0.0861 0.0698 -0.0240 0.0003 -0.0012 166 SER A CA 1250 C C . SER A 166 ? 0.0868 0.0779 0.0616 -0.0058 -0.0018 -0.0077 166 SER A C 1251 O O . SER A 166 ? 0.1126 0.0782 0.0643 -0.0157 0.0046 -0.0147 166 SER A O 1252 C CB . SER A 166 ? 0.1339 0.1086 0.1052 -0.0352 -0.0124 0.0119 166 SER A CB 1253 O OG . SER A 166 ? 0.1705 0.1423 0.1308 -0.0596 -0.0146 0.0353 166 SER A OG 1254 N N . GLN A 167 ? 0.1137 0.0581 0.0600 -0.0050 0.0023 -0.0078 167 GLN A N 1255 C CA . GLN A 167 ? 0.0962 0.0678 0.0548 0.0006 0.0095 -0.0040 167 GLN A CA 1256 C C . GLN A 167 ? 0.1034 0.0660 0.0539 -0.0042 0.0043 -0.0074 167 GLN A C 1257 O O . GLN A 167 ? 0.1259 0.0653 0.0699 -0.0071 -0.0101 -0.0125 167 GLN A O 1258 C CB . GLN A 167 ? 0.1005 0.0627 0.0577 -0.0042 0.0037 -0.0121 167 GLN A CB 1259 C CG . GLN A 167 ? 0.0990 0.0720 0.0645 -0.0084 0.0042 -0.0079 167 GLN A CG 1260 C CD . GLN A 167 ? 0.0776 0.0685 0.0646 -0.0072 0.0036 -0.0029 167 GLN A CD 1261 O OE1 . GLN A 167 ? 0.1119 0.0673 0.0656 -0.0144 0.0023 -0.0031 167 GLN A OE1 1262 N NE2 . GLN A 167 ? 0.0821 0.0680 0.0614 -0.0105 0.0050 -0.0044 167 GLN A NE2 1263 N N . PHE A 168 ? 0.1031 0.0644 0.0578 -0.0071 -0.0003 -0.0083 168 PHE A N 1264 C CA . PHE A 168 ? 0.1021 0.0713 0.0634 -0.0023 -0.0038 -0.0089 168 PHE A CA 1265 C C . PHE A 168 ? 0.1035 0.0676 0.0627 0.0001 -0.0081 -0.0105 168 PHE A C 1266 O O . PHE A 168 ? 0.1063 0.0740 0.0727 -0.0093 -0.0002 -0.0190 168 PHE A O 1267 C CB . PHE A 168 ? 0.1016 0.0760 0.0694 -0.0028 -0.0010 -0.0083 168 PHE A CB 1268 C CG . PHE A 168 ? 0.0939 0.0791 0.0642 0.0040 -0.0069 -0.0066 168 PHE A CG 1269 C CD1 . PHE A 168 ? 0.1067 0.0813 0.0754 0.0058 0.0024 -0.0063 168 PHE A CD1 1270 C CD2 . PHE A 168 ? 0.1092 0.0799 0.0741 -0.0118 0.0019 -0.0141 168 PHE A CD2 1271 C CE1 . PHE A 168 ? 0.0976 0.1027 0.0801 -0.0042 0.0052 0.0067 168 PHE A CE1 1272 C CE2 . PHE A 168 ? 0.0993 0.0964 0.0881 0.0000 -0.0008 -0.0240 168 PHE A CE2 1273 C CZ . PHE A 168 ? 0.1013 0.1085 0.0767 -0.0014 0.0012 -0.0133 168 PHE A CZ 1274 N N . ALA A 169 ? 0.0956 0.0739 0.0654 -0.0029 -0.0014 -0.0154 169 ALA A N 1275 C CA . ALA A 169 ? 0.1032 0.0907 0.0597 -0.0037 0.0034 -0.0164 169 ALA A CA 1276 C C . ALA A 169 ? 0.1094 0.0826 0.0685 -0.0109 0.0034 -0.0202 169 ALA A C 1277 O O . ALA A 169 ? 0.1225 0.0889 0.0777 -0.0023 -0.0036 -0.0290 169 ALA A O 1278 C CB . ALA A 169 ? 0.1198 0.0988 0.0694 -0.0070 0.0128 -0.0108 169 ALA A CB 1279 N N . SER A 170 ? 0.1040 0.0793 0.0811 0.0004 -0.0006 -0.0271 170 SER A N 1280 C CA . SER A 170 ? 0.1272 0.0918 0.0982 0.0144 -0.0073 -0.0283 170 SER A CA 1281 C C . SER A 170 ? 0.1272 0.0757 0.1059 0.0122 -0.0127 -0.0207 170 SER A C 1282 O O . SER A 170 ? 0.1546 0.0860 0.1315 0.0132 -0.0019 -0.0411 170 SER A O 1283 C CB . SER A 170 ? 0.1306 0.1078 0.1328 0.0220 -0.0244 -0.0249 170 SER A CB 1284 O OG . SER A 170 ? 0.1685 0.1585 0.1454 0.0138 -0.0170 -0.0144 170 SER A OG 1285 N N . ALA A 171 ? 0.1288 0.0733 0.0864 0.0022 -0.0150 -0.0168 171 ALA A N 1286 C CA . ALA A 171 ? 0.1460 0.0709 0.0985 -0.0171 -0.0160 -0.0083 171 ALA A CA 1287 C C . ALA A 171 ? 0.1186 0.0774 0.1117 0.0018 -0.0103 -0.0264 171 ALA A C 1288 O O . ALA A 171 ? 0.1546 0.0823 0.1406 -0.0051 -0.0255 -0.0248 171 ALA A O 1289 C CB . ALA A 171 ? 0.1696 0.1041 0.1031 -0.0201 0.0028 -0.0153 171 ALA A CB 1290 N N . PHE A 172 ? 0.1202 0.0750 0.0982 -0.0065 -0.0189 -0.0183 172 PHE A N 1291 C CA . PHE A 172 ? 0.1158 0.0892 0.1045 -0.0150 -0.0134 -0.0171 172 PHE A CA 1292 C C . PHE A 172 ? 0.1357 0.0945 0.1046 -0.0051 -0.0124 -0.0305 172 PHE A C 1293 O O . PHE A 172 ? 0.1425 0.1278 0.1100 -0.0168 -0.0226 -0.0344 172 PHE A O 1294 C CB . PHE A 172 ? 0.1179 0.0861 0.1035 -0.0151 -0.0157 -0.0172 172 PHE A CB 1295 C CG . PHE A 172 ? 0.1104 0.1035 0.0898 -0.0049 -0.0266 -0.0128 172 PHE A CG 1296 C CD1 . PHE A 172 ? 0.1195 0.0987 0.1055 -0.0061 -0.0284 -0.0059 172 PHE A CD1 1297 C CD2 . PHE A 172 ? 0.1226 0.0956 0.0980 -0.0160 -0.0160 -0.0093 172 PHE A CD2 1298 C CE1 . PHE A 172 ? 0.1204 0.1162 0.1019 -0.0181 -0.0266 -0.0004 172 PHE A CE1 1299 C CE2 . PHE A 172 ? 0.1284 0.1100 0.0928 -0.0144 -0.0218 -0.0161 172 PHE A CE2 1300 C CZ . PHE A 172 ? 0.1300 0.1215 0.0924 -0.0166 -0.0244 0.0020 172 PHE A CZ 1301 N N . SER A 173 ? 0.1413 0.0985 0.1027 0.0017 -0.0161 -0.0381 173 SER A N 1302 C CA . SER A 173 ? 0.1473 0.1215 0.1097 0.0196 -0.0067 -0.0489 173 SER A CA 1303 C C . SER A 173 ? 0.1578 0.1218 0.0987 0.0035 -0.0056 -0.0560 173 SER A C 1304 O O . SER A 173 ? 0.2484 0.1413 0.1207 0.0151 -0.0480 -0.0666 173 SER A O 1305 C CB . SER A 173 ? 0.1953 0.1385 0.1369 0.0386 -0.0044 -0.0547 173 SER A CB 1306 O OG . SER A 173 ? 0.2752 0.1440 0.1636 0.0464 -0.0119 -0.0435 173 SER A OG 1307 N N . PHE A 174 ? 0.1320 0.1024 0.0835 -0.0109 0.0053 -0.0313 174 PHE A N 1308 C CA . PHE A 174 ? 0.1343 0.1115 0.0830 -0.0033 0.0043 -0.0319 174 PHE A CA 1309 C C . PHE A 174 ? 0.1402 0.0953 0.0740 -0.0007 0.0131 -0.0323 174 PHE A C 1310 O O . PHE A 174 ? 0.1238 0.1020 0.0991 -0.0101 0.0150 -0.0226 174 PHE A O 1311 C CB . PHE A 174 ? 0.1370 0.1134 0.0742 0.0001 -0.0180 -0.0243 174 PHE A CB 1312 C CG . PHE A 174 ? 0.1126 0.0945 0.0765 -0.0049 -0.0149 -0.0184 174 PHE A CG 1313 C CD1 . PHE A 174 ? 0.1157 0.0972 0.0867 -0.0237 -0.0100 -0.0217 174 PHE A CD1 1314 C CD2 . PHE A 174 ? 0.0974 0.0846 0.0705 0.0022 0.0000 -0.0097 174 PHE A CD2 1315 C CE1 . PHE A 174 ? 0.1202 0.0888 0.0835 -0.0179 0.0015 -0.0105 174 PHE A CE1 1316 C CE2 . PHE A 174 ? 0.1028 0.0719 0.0738 -0.0049 -0.0059 -0.0147 174 PHE A CE2 1317 C CZ . PHE A 174 ? 0.1082 0.0731 0.0608 -0.0054 -0.0013 -0.0052 174 PHE A CZ 1318 N N . LYS A 175 ? 0.1497 0.1351 0.0879 -0.0018 0.0074 -0.0034 175 LYS A N 1319 C CA . LYS A 175 ? 0.1645 0.1175 0.1031 -0.0030 0.0468 -0.0050 175 LYS A CA 1320 C C . LYS A 175 ? 0.1311 0.0964 0.1262 0.0025 0.0242 -0.0117 175 LYS A C 1321 O O . LYS A 175 ? 0.1299 0.0929 0.1090 -0.0052 0.0277 -0.0145 175 LYS A O 1322 C CB . LYS A 175 ? 0.2117 0.1377 0.1404 0.0013 0.0225 0.0114 175 LYS A CB 1323 C CG . LYS A 175 ? 0.2281 0.2083 0.1361 0.0113 0.0098 -0.0032 175 LYS A CG 1324 C CD . LYS A 175 ? 0.2464 0.2926 0.1406 0.0237 0.0077 0.0316 175 LYS A CD 1325 C CE . LYS A 175 ? 0.2964 0.3168 0.1706 0.0304 0.0546 0.0135 175 LYS A CE 1326 N NZ . LYS A 175 ? 0.4671 0.3678 0.1460 0.0491 -0.0075 -0.0213 175 LYS A NZ 1327 N N . ARG A 176 ? 0.1242 0.0996 0.1405 -0.0019 0.0484 0.0053 176 ARG A N 1328 C CA . ARG A 176 ? 0.1123 0.0822 0.1536 -0.0007 0.0271 0.0058 176 ARG A CA 1329 C C . ARG A 176 ? 0.1029 0.0867 0.1470 0.0015 0.0336 0.0186 176 ARG A C 1330 O O . ARG A 176 ? 0.1039 0.0908 0.2036 0.0043 0.0477 0.0229 176 ARG A O 1331 C CB . ARG A 176 ? 0.1274 0.0972 0.1874 0.0255 0.0206 0.0138 176 ARG A CB 1332 C CG . ARG A 176 ? 0.1518 0.1470 0.1955 -0.0134 0.0033 0.0059 176 ARG A CG 1333 C CD . ARG A 176 ? 0.1566 0.1663 0.2119 -0.0002 0.0026 0.0288 176 ARG A CD 1334 N NE . ARG A 176 ? 0.1771 0.2190 0.2344 0.0014 -0.0422 0.0166 176 ARG A NE 1335 C CZ . ARG A 176 ? 0.1862 0.2114 0.2721 0.0568 -0.0604 0.0026 176 ARG A CZ 1336 N NH1 . ARG A 176 ? 0.2180 0.2786 0.3844 0.0437 -0.0022 -0.0595 176 ARG A NH1 1337 N NH2 . ARG A 176 ? 0.2236 0.3171 0.3033 0.0523 -0.0812 -0.0338 176 ARG A NH2 1338 N N . LYS A 177 ? 0.0999 0.0725 0.1486 0.0008 0.0403 -0.0055 177 LYS A N 1339 C CA . LYS A 177 ? 0.1115 0.0763 0.1013 0.0023 0.0315 -0.0015 177 LYS A CA 1340 C C . LYS A 177 ? 0.0889 0.0670 0.0849 -0.0057 0.0135 -0.0078 177 LYS A C 1341 O O . LYS A 177 ? 0.0919 0.0700 0.1036 -0.0031 0.0152 -0.0006 177 LYS A O 1342 C CB . LYS A 177 ? 0.1648 0.1410 0.1033 0.0159 0.0318 -0.0209 177 LYS A CB 1343 C CG . LYS A 177 ? 0.1712 0.1907 0.1721 -0.0420 0.0578 -0.0507 177 LYS A CG 1344 C CD . LYS A 177 ? 0.2381 0.2624 0.1720 -0.0503 -0.0024 -0.0672 177 LYS A CD 1345 C CE . LYS A 177 ? 0.2494 0.2085 0.1569 -0.0172 0.0116 0.0003 177 LYS A CE 1346 N NZ . LYS A 177 ? 0.5115 0.1619 0.1280 -0.0174 0.0083 0.0045 177 LYS A NZ 1347 N N . PHE A 178 ? 0.0768 0.0679 0.0742 -0.0047 0.0082 0.0039 178 PHE A N 1348 C CA . PHE A 178 ? 0.0778 0.0757 0.0697 -0.0056 0.0095 0.0069 178 PHE A CA 1349 C C . PHE A 178 ? 0.0705 0.0682 0.0607 -0.0131 0.0027 -0.0018 178 PHE A C 1350 O O . PHE A 178 ? 0.0818 0.0793 0.0761 -0.0095 0.0123 0.0181 178 PHE A O 1351 C CB . PHE A 178 ? 0.0896 0.0677 0.0713 -0.0060 0.0098 0.0042 178 PHE A CB 1352 C CG . PHE A 178 ? 0.1110 0.0731 0.0572 -0.0158 0.0036 0.0126 178 PHE A CG 1353 C CD1 . PHE A 178 ? 0.1312 0.0989 0.0633 -0.0240 0.0170 0.0002 178 PHE A CD1 1354 C CD2 . PHE A 178 ? 0.1055 0.0896 0.0679 -0.0162 -0.0136 0.0149 178 PHE A CD2 1355 C CE1 . PHE A 178 ? 0.1601 0.0831 0.0727 -0.0231 0.0033 0.0037 178 PHE A CE1 1356 C CE2 . PHE A 178 ? 0.1185 0.1059 0.0766 -0.0270 -0.0190 0.0281 178 PHE A CE2 1357 C CZ . PHE A 178 ? 0.1458 0.1036 0.0732 -0.0419 -0.0104 0.0256 178 PHE A CZ 1358 N N . ALA A 179 ? 0.0765 0.0710 0.0802 -0.0127 0.0192 0.0050 179 ALA A N 1359 C CA . ALA A 179 ? 0.1043 0.0607 0.0800 -0.0044 0.0252 0.0044 179 ALA A CA 1360 C C . ALA A 179 ? 0.0900 0.0584 0.0723 -0.0066 0.0155 0.0007 179 ALA A C 1361 O O . ALA A 179 ? 0.1099 0.0762 0.0862 -0.0272 0.0330 -0.0113 179 ALA A O 1362 C CB . ALA A 179 ? 0.1446 0.0825 0.0814 0.0215 0.0101 -0.0005 179 ALA A CB 1363 N N . MET A 180 ? 0.0783 0.0602 0.0785 -0.0067 0.0173 -0.0016 180 MET A N 1364 C CA . MET A 180 ? 0.0949 0.0668 0.0607 -0.0059 0.0069 -0.0035 180 MET A CA 1365 C C . MET A 180 ? 0.0901 0.0639 0.0645 -0.0085 0.0107 -0.0030 180 MET A C 1366 O O . MET A 180 ? 0.1056 0.0683 0.0857 0.0046 0.0270 0.0127 180 MET A O 1367 C CB . MET A 180 ? 0.1368 0.0969 0.0936 -0.0179 -0.0289 0.0015 180 MET A CB 1368 C CG . MET A 180 ? 0.1531 0.1305 0.1184 0.0162 -0.0100 -0.0249 180 MET A CG 1369 S SD . MET A 180 ? 0.1954 0.2928 0.1566 0.0044 -0.0642 -0.0907 180 MET A SD 1370 C CE . MET A 180 ? 0.1349 0.2953 0.2009 0.0130 -0.0377 -0.1499 180 MET A CE 1371 N N . CYS A 181 ? 0.0906 0.0607 0.0834 -0.0076 0.0207 -0.0033 181 CYS A N 1372 C CA . CYS A 181 ? 0.0900 0.0802 0.0937 0.0001 0.0122 -0.0023 181 CYS A CA 1373 C C . CYS A 181 ? 0.0816 0.0721 0.0933 0.0061 0.0135 0.0091 181 CYS A C 1374 O O . CYS A 181 ? 0.0953 0.0905 0.1053 -0.0040 0.0245 0.0119 181 CYS A O 1375 C CB . CYS A 181 ? 0.1036 0.0908 0.1264 -0.0120 0.0066 -0.0029 181 CYS A CB 1376 S SG . CYS A 181 ? 0.1155 0.1018 0.0984 -0.0111 -0.0038 0.0026 181 CYS A SG 1377 N N . LEU A 182 ? 0.0885 0.0791 0.0815 -0.0007 0.0149 0.0075 182 LEU A N 1378 C CA . LEU A 182 ? 0.0882 0.0748 0.0798 0.0035 0.0113 0.0128 182 LEU A CA 1379 C C . LEU A 182 ? 0.0739 0.0713 0.0810 -0.0060 0.0047 0.0110 182 LEU A C 1380 O O . LEU A 182 ? 0.0872 0.0791 0.0884 0.0002 0.0037 0.0172 182 LEU A O 1381 C CB . LEU A 182 ? 0.0766 0.1001 0.0729 0.0063 0.0083 0.0105 182 LEU A CB 1382 C CG . LEU A 182 ? 0.0860 0.1299 0.0799 0.0219 0.0088 0.0161 182 LEU A CG 1383 C CD1 . LEU A 182 ? 0.0857 0.1910 0.1052 0.0040 -0.0078 0.0155 182 LEU A CD1 1384 C CD2 . LEU A 182 ? 0.1208 0.1277 0.1111 0.0386 0.0012 0.0277 182 LEU A CD2 1385 N N . SER A 183 ? 0.0826 0.0849 0.0773 0.0115 0.0047 0.0136 183 SER A N 1386 C CA . SER A 183 ? 0.0863 0.0845 0.0795 0.0048 0.0029 0.0129 183 SER A CA 1387 C C . SER A 183 ? 0.0701 0.0873 0.0864 -0.0004 0.0052 0.0092 183 SER A C 1388 O O . SER A 183 ? 0.0963 0.1091 0.0811 0.0021 -0.0015 0.0010 183 SER A O 1389 C CB . SER A 183 ? 0.0941 0.0840 0.0955 0.0052 -0.0037 0.0060 183 SER A CB 1390 O OG . SER A 183 ? 0.0886 0.1051 0.0981 0.0130 0.0005 -0.0041 183 SER A OG 1391 N N . GLY A 184 ? 0.0973 0.0836 0.0922 -0.0009 0.0115 0.0083 184 GLY A N 1392 C CA . GLY A 184 ? 0.1142 0.0960 0.1030 0.0016 0.0041 -0.0058 184 GLY A CA 1393 C C . GLY A 184 ? 0.1187 0.1064 0.1129 0.0056 0.0126 -0.0174 184 GLY A C 1394 O O . GLY A 184 ? 0.1506 0.1430 0.1333 0.0056 0.0294 -0.0427 184 GLY A O 1395 N N . SER A 185 ? 0.0893 0.1362 0.1089 0.0034 0.0142 -0.0181 185 SER A N 1396 C CA . SER A 185 ? 0.0945 0.1395 0.1191 0.0123 0.0156 -0.0023 185 SER A CA 1397 C C . SER A 185 ? 0.0767 0.1583 0.1039 0.0192 0.0166 -0.0054 185 SER A C 1398 O O . SER A 185 ? 0.1004 0.1755 0.1081 0.0274 0.0116 -0.0102 185 SER A O 1399 C CB . SER A 185 ? 0.0905 0.1378 0.1284 -0.0016 0.0094 0.0054 185 SER A CB 1400 O OG . SER A 185 ? 0.0915 0.1668 0.1556 0.0066 0.0192 0.0096 185 SER A OG 1401 N N . THR A 186 ? 0.1054 0.1693 0.1257 0.0351 0.0291 0.0008 186 THR A N 1402 C CA . THR A 186 ? 0.1416 0.1736 0.1229 0.0293 0.0364 -0.0029 186 THR A CA 1403 C C . THR A 186 ? 0.1375 0.2018 0.1370 0.0160 0.0424 -0.0019 186 THR A C 1404 O O . THR A 186 ? 0.1862 0.2687 0.1661 0.0185 0.0625 0.0440 186 THR A O 1405 C CB . THR A 186 ? 0.1699 0.2165 0.1294 0.0442 0.0183 -0.0241 186 THR A CB 1406 O OG1 . THR A 186 ? 0.2035 0.2553 0.1699 0.0642 0.0447 -0.0556 186 THR A OG1 1407 C CG2 . THR A 186 ? 0.1873 0.1566 0.1644 0.0269 -0.0210 -0.0255 186 THR A CG2 1408 N N . SER A 187 ? 0.1278 0.1928 0.1469 0.0166 0.0446 0.0141 187 SER A N 1409 C CA . SER A 187 ? 0.1522 0.2180 0.1874 0.0078 0.0692 0.0055 187 SER A CA 1410 C C . SER A 187 ? 0.1173 0.1904 0.2047 0.0050 0.0528 0.0101 187 SER A C 1411 O O . SER A 187 ? 0.1936 0.2411 0.2602 -0.0518 0.0638 0.0060 187 SER A O 1412 C CB . SER A 187 ? 0.1438 0.2401 0.2619 0.0326 0.0668 -0.0248 187 SER A CB 1413 O OG . SER A 187 ? 0.1403 0.2604 0.3246 0.0642 0.0225 0.0317 187 SER A OG 1414 N N . SER A 188 ? 0.0890 0.1718 0.2043 0.0064 0.0452 -0.0184 188 SER A N 1415 C CA . SER A 188 ? 0.0909 0.1622 0.1856 0.0081 0.0156 -0.0021 188 SER A CA 1416 C C . SER A 188 ? 0.0983 0.1405 0.1413 0.0071 0.0141 0.0190 188 SER A C 1417 O O . SER A 188 ? 0.0946 0.1469 0.1968 0.0088 0.0179 -0.0080 188 SER A O 1418 C CB . SER A 188 ? 0.1505 0.1784 0.2278 0.0636 -0.0363 -0.0158 188 SER A CB 1419 O OG . SER A 188 ? 0.1894 0.3333 0.4057 0.1158 -0.0393 0.0369 188 SER A OG 1420 N N . ASN A 189 ? 0.0747 0.1394 0.1367 0.0055 0.0162 0.0156 189 ASN A N 1421 C CA . ASN A 189 ? 0.0823 0.1296 0.1212 0.0124 0.0031 0.0231 189 ASN A CA 1422 C C . ASN A 189 ? 0.0769 0.1162 0.0997 0.0051 -0.0061 0.0144 189 ASN A C 1423 O O . ASN A 189 ? 0.0941 0.1548 0.1122 0.0052 -0.0210 0.0256 189 ASN A O 1424 C CB . ASN A 189 ? 0.0980 0.1292 0.1397 0.0027 0.0128 0.0241 189 ASN A CB 1425 C CG . ASN A 189 ? 0.1115 0.1312 0.1487 0.0088 0.0248 0.0289 189 ASN A CG 1426 O OD1 . ASN A 189 ? 0.1639 0.1689 0.1290 -0.0059 0.0175 0.0469 189 ASN A OD1 1427 N ND2 . ASN A 189 ? 0.1551 0.1737 0.2089 -0.0163 0.0426 0.0285 189 ASN A ND2 1428 N N . SER A 190 ? 0.0781 0.0976 0.0786 0.0060 -0.0072 0.0105 190 SER A N 1429 C CA . SER A 190 ? 0.0909 0.0928 0.0833 0.0145 -0.0016 0.0132 190 SER A CA 1430 C C . SER A 190 ? 0.0768 0.0826 0.0718 0.0030 -0.0064 0.0077 190 SER A C 1431 O O . SER A 190 ? 0.0755 0.0915 0.0853 -0.0003 -0.0043 0.0147 190 SER A O 1432 C CB . SER A 190 ? 0.1267 0.1038 0.1262 -0.0003 0.0325 0.0077 190 SER A CB 1433 O OG . SER A 190 ? 0.1280 0.1123 0.1264 -0.0402 0.0412 -0.0225 190 SER A OG 1434 N N . VAL A 191 ? 0.0848 0.0781 0.0765 -0.0015 -0.0006 0.0113 191 VAL A N 1435 C CA . VAL A 191 ? 0.0798 0.0773 0.0777 -0.0078 -0.0021 0.0037 191 VAL A CA 1436 C C . VAL A 191 ? 0.0781 0.0710 0.0635 -0.0076 -0.0062 0.0058 191 VAL A C 1437 O O . VAL A 191 ? 0.0871 0.0725 0.0846 -0.0085 0.0044 0.0103 191 VAL A O 1438 C CB . VAL A 191 ? 0.0946 0.0977 0.1014 -0.0012 -0.0221 -0.0109 191 VAL A CB 1439 C CG1 . VAL A 191 ? 0.0840 0.1096 0.1276 0.0002 -0.0158 -0.0084 191 VAL A CG1 1440 C CG2 . VAL A 191 ? 0.1191 0.1260 0.0954 0.0009 -0.0177 -0.0055 191 VAL A CG2 1441 N N . ILE A 192 ? 0.0655 0.0711 0.0715 -0.0075 0.0004 0.0013 192 ILE A N 1442 C CA . ILE A 192 ? 0.0752 0.0730 0.0646 -0.0043 0.0047 0.0029 192 ILE A CA 1443 C C . ILE A 192 ? 0.0738 0.0747 0.0685 -0.0093 0.0013 0.0059 192 ILE A C 1444 O O . ILE A 192 ? 0.0889 0.0672 0.0735 -0.0140 0.0054 0.0016 192 ILE A O 1445 C CB . ILE A 192 ? 0.0693 0.0968 0.0661 -0.0091 0.0004 0.0066 192 ILE A CB 1446 C CG1 . ILE A 192 ? 0.0890 0.1204 0.0891 -0.0148 -0.0081 -0.0117 192 ILE A CG1 1447 C CG2 . ILE A 192 ? 0.0852 0.1241 0.0965 0.0115 -0.0057 0.0111 192 ILE A CG2 1448 C CD1 . ILE A 192 ? 0.1012 0.2024 0.1002 0.0054 -0.0303 -0.0345 192 ILE A CD1 1449 N N . ILE A 193 ? 0.0748 0.0658 0.0738 -0.0184 0.0097 0.0009 193 ILE A N 1450 C CA . ILE A 193 ? 0.0932 0.0618 0.0758 -0.0181 0.0043 0.0017 193 ILE A CA 1451 C C . ILE A 193 ? 0.0892 0.0679 0.0671 -0.0202 0.0079 0.0009 193 ILE A C 1452 O O . ILE A 193 ? 0.0976 0.0682 0.0938 -0.0192 0.0213 -0.0041 193 ILE A O 1453 C CB . ILE A 193 ? 0.1043 0.0843 0.0832 -0.0120 0.0000 0.0022 193 ILE A CB 1454 C CG1 . ILE A 193 ? 0.1035 0.1420 0.0931 0.0020 -0.0094 -0.0139 193 ILE A CG1 1455 C CG2 . ILE A 193 ? 0.1209 0.0912 0.0809 -0.0302 0.0057 0.0002 193 ILE A CG2 1456 C CD1 . ILE A 193 ? 0.1131 0.2067 0.1174 0.0364 -0.0329 -0.0077 193 ILE A CD1 1457 N N . PHE A 194 ? 0.0794 0.0696 0.0818 -0.0149 0.0053 0.0041 194 PHE A N 1458 C CA . PHE A 194 ? 0.0871 0.0727 0.0920 -0.0151 0.0088 0.0048 194 PHE A CA 1459 C C . PHE A 194 ? 0.0921 0.0746 0.0965 -0.0126 0.0173 0.0067 194 PHE A C 1460 O O . PHE A 194 ? 0.1011 0.0993 0.1009 -0.0233 0.0188 -0.0251 194 PHE A O 1461 C CB . PHE A 194 ? 0.0880 0.0664 0.0942 -0.0109 0.0024 0.0094 194 PHE A CB 1462 C CG . PHE A 194 ? 0.1046 0.0635 0.0875 -0.0095 0.0069 0.0146 194 PHE A CG 1463 C CD1 . PHE A 194 ? 0.1019 0.1015 0.0836 -0.0068 0.0047 0.0136 194 PHE A CD1 1464 C CD2 . PHE A 194 ? 0.1053 0.0879 0.1052 -0.0076 0.0148 0.0015 194 PHE A CD2 1465 C CE1 . PHE A 194 ? 0.1222 0.1121 0.0863 -0.0195 -0.0081 0.0188 194 PHE A CE1 1466 C CE2 . PHE A 194 ? 0.1198 0.0888 0.1043 -0.0023 0.0095 0.0013 194 PHE A CE2 1467 C CZ . PHE A 194 ? 0.1232 0.0976 0.0826 0.0077 -0.0080 0.0058 194 PHE A CZ 1468 N N . GLY A 195 ? 0.0856 0.0774 0.0963 -0.0037 0.0061 0.0077 195 GLY A N 1469 C CA . GLY A 195 ? 0.1051 0.0727 0.0991 -0.0028 0.0170 0.0062 195 GLY A CA 1470 C C . GLY A 195 ? 0.1263 0.0743 0.0925 -0.0043 0.0300 0.0023 195 GLY A C 1471 O O . GLY A 195 ? 0.1364 0.0844 0.1056 -0.0122 0.0283 0.0117 195 GLY A O 1472 N N . ASN A 196 ? 0.1464 0.0800 0.0869 -0.0041 0.0195 0.0030 196 ASN A N 1473 C CA . ASN A 196 ? 0.1889 0.0955 0.0886 -0.0116 0.0351 -0.0036 196 ASN A CA 1474 C C . ASN A 196 ? 0.1560 0.1016 0.0770 -0.0171 0.0099 -0.0035 196 ASN A C 1475 O O . ASN A 196 ? 0.1523 0.1263 0.0856 -0.0080 0.0136 0.0153 196 ASN A O 1476 C CB . ASN A 196 ? 0.2912 0.1096 0.0985 -0.0300 0.0375 -0.0358 196 ASN A CB 1477 C CG . ASN A 196 ? 0.3289 0.1096 0.1872 -0.0105 0.0689 -0.0372 196 ASN A CG 1478 O OD1 . ASN A 196 ? 0.3263 0.2109 0.3107 0.0678 0.1140 -0.0200 196 ASN A OD1 1479 N ND2 . ASN A 196 ? 0.5510 0.1433 0.4432 -0.0735 0.1275 -0.1175 196 ASN A ND2 1480 N N . ASP A 197 ? 0.1576 0.0950 0.0754 -0.0116 0.0131 0.0039 197 ASP A N 1481 C CA . ASP A 197 ? 0.1498 0.1036 0.0749 -0.0127 0.0037 -0.0031 197 ASP A CA 1482 C C . ASP A 197 ? 0.1640 0.1226 0.0769 -0.0408 0.0135 0.0037 197 ASP A C 1483 O O . ASP A 197 ? 0.1977 0.1183 0.1140 -0.0514 0.0077 -0.0134 197 ASP A O 1484 C CB . ASP A 197 ? 0.1412 0.0917 0.0817 -0.0136 -0.0035 -0.0108 197 ASP A CB 1485 C CG . ASP A 197 ? 0.1211 0.0743 0.0775 -0.0226 -0.0065 -0.0017 197 ASP A CG 1486 O OD1 . ASP A 197 ? 0.1453 0.0959 0.0934 -0.0029 0.0091 0.0034 197 ASP A OD1 1487 O OD2 . ASP A 197 ? 0.1374 0.0828 0.0887 -0.0285 -0.0156 0.0080 197 ASP A OD2 1488 N N . PRO A 198 ? 0.1537 0.1306 0.1024 -0.0506 -0.0004 0.0139 198 PRO A N 1489 C CA . PRO A 198 ? 0.1439 0.1396 0.1007 -0.0379 0.0004 0.0298 198 PRO A CA 1490 C C . PRO A 198 ? 0.1189 0.1281 0.1069 -0.0247 -0.0126 0.0358 198 PRO A C 1491 O O . PRO A 198 ? 0.1480 0.1558 0.1299 -0.0206 0.0221 0.0524 198 PRO A O 1492 C CB . PRO A 198 ? 0.1598 0.1680 0.1125 -0.0230 -0.0070 0.0387 198 PRO A CB 1493 C CG . PRO A 198 ? 0.1639 0.2119 0.1419 -0.0459 -0.0314 0.0196 198 PRO A CG 1494 C CD . PRO A 198 ? 0.1657 0.1599 0.1192 -0.0564 -0.0089 0.0102 198 PRO A CD 1495 N N . TYR A 199 ? 0.1176 0.1357 0.1078 -0.0167 -0.0115 0.0391 199 TYR A N 1496 C CA . TYR A 199 ? 0.1135 0.1529 0.1270 -0.0004 0.0051 0.0491 199 TYR A CA 1497 C C . TYR A 199 ? 0.1094 0.1607 0.1235 0.0042 -0.0058 0.0605 199 TYR A C 1498 O O . TYR A 199 ? 0.1316 0.2370 0.2627 0.0048 0.0078 0.1609 199 TYR A O 1499 C CB . TYR A 199 ? 0.1234 0.1510 0.1184 0.0201 0.0152 0.0274 199 TYR A CB 1500 C CG . TYR A 199 ? 0.1232 0.1137 0.0837 0.0079 0.0096 0.0046 199 TYR A CG 1501 C CD1 . TYR A 199 ? 0.1071 0.1349 0.0861 -0.0068 0.0071 0.0222 199 TYR A CD1 1502 C CD2 . TYR A 199 ? 0.1222 0.0884 0.0757 0.0019 0.0032 -0.0030 199 TYR A CD2 1503 C CE1 . TYR A 199 ? 0.1178 0.0935 0.0675 -0.0018 0.0055 0.0155 199 TYR A CE1 1504 C CE2 . TYR A 199 ? 0.1133 0.0750 0.0789 -0.0112 0.0132 -0.0022 199 TYR A CE2 1505 C CZ . TYR A 199 ? 0.1058 0.0826 0.0606 -0.0069 0.0015 0.0008 199 TYR A CZ 1506 O OH . TYR A 199 ? 0.1050 0.0965 0.0731 -0.0126 0.0045 0.0070 199 TYR A OH 1507 N N . THR A 200 ? 0.1132 0.1437 0.1078 -0.0004 -0.0056 0.0440 200 THR A N 1508 C CA . THR A 200 ? 0.1138 0.1617 0.1040 0.0021 -0.0204 0.0293 200 THR A CA 1509 C C . THR A 200 ? 0.1133 0.1594 0.1034 -0.0040 -0.0211 0.0387 200 THR A C 1510 O O . THR A 200 ? 0.1423 0.1843 0.1133 0.0192 0.0020 0.0495 200 THR A O 1511 C CB . THR A 200 ? 0.1483 0.2207 0.1481 -0.0026 -0.0531 0.0055 200 THR A CB 1512 O OG1 . THR A 200 ? 0.2480 0.2422 0.1741 -0.0033 -0.0588 -0.0413 200 THR A OG1 1513 C CG2 . THR A 200 ? 0.1942 0.2491 0.2026 0.0163 -0.1007 0.0046 200 THR A CG2 1514 N N . PHE A 201 ? 0.1282 0.1557 0.0843 0.0127 -0.0088 0.0256 201 PHE A N 1515 C CA . PHE A 201 ? 0.1126 0.1710 0.1015 0.0037 -0.0100 0.0102 201 PHE A CA 1516 C C . PHE A 201 ? 0.1378 0.1964 0.1125 0.0211 -0.0167 0.0097 201 PHE A C 1517 O O . PHE A 201 ? 0.1620 0.2428 0.1181 0.0480 -0.0188 0.0178 201 PHE A O 1518 C CB . PHE A 201 ? 0.1592 0.1529 0.1224 0.0008 -0.0055 -0.0013 201 PHE A CB 1519 C CG . PHE A 201 ? 0.1147 0.1491 0.1309 -0.0068 0.0024 -0.0081 201 PHE A CG 1520 C CD1 . PHE A 201 ? 0.1103 0.1386 0.1273 -0.0068 -0.0090 -0.0236 201 PHE A CD1 1521 C CD2 . PHE A 201 ? 0.1238 0.1971 0.1562 -0.0073 -0.0030 -0.0468 201 PHE A CD2 1522 C CE1 . PHE A 201 ? 0.1178 0.1427 0.1537 -0.0057 -0.0208 -0.0329 201 PHE A CE1 1523 C CE2 . PHE A 201 ? 0.1048 0.2015 0.1918 -0.0014 -0.0033 -0.0592 201 PHE A CE2 1524 C CZ . PHE A 201 ? 0.1193 0.1825 0.1820 0.0037 -0.0325 -0.0646 201 PHE A CZ 1525 N N . LEU A 202 ? 0.1266 0.1822 0.1206 0.0118 -0.0252 -0.0093 202 LEU A N 1526 C CA . LEU A 202 ? 0.1149 0.1976 0.1437 -0.0029 -0.0394 -0.0117 202 LEU A CA 1527 C C . LEU A 202 ? 0.0997 0.1911 0.1671 0.0065 -0.0461 -0.0086 202 LEU A C 1528 O O . LEU A 202 ? 0.1422 0.1831 0.1749 -0.0123 -0.0339 -0.0133 202 LEU A O 1529 C CB . LEU A 202 ? 0.1342 0.2145 0.1658 0.0012 -0.0361 -0.0177 202 LEU A CB 1530 C CG . LEU A 202 ? 0.1379 0.2251 0.1978 -0.0295 -0.0164 0.0024 202 LEU A CG 1531 C CD1 . LEU A 202 ? 0.1798 0.2628 0.2166 0.0000 0.0012 0.0288 202 LEU A CD1 1532 C CD2 . LEU A 202 ? 0.2075 0.2110 0.2492 -0.0336 -0.0574 -0.0075 202 LEU A CD2 1533 N N . PRO A 203 ? 0.1481 0.1989 0.1752 0.0281 -0.0492 -0.0030 203 PRO A N 1534 C CA . PRO A 203 ? 0.1590 0.2591 0.2072 0.0073 -0.0778 -0.0096 203 PRO A CA 1535 C C . PRO A 203 ? 0.2117 0.2804 0.1794 -0.0276 -0.0579 -0.0113 203 PRO A C 1536 O O . PRO A 203 ? 0.2616 0.2967 0.2941 -0.0633 -0.0333 -0.0331 203 PRO A O 1537 C CB . PRO A 203 ? 0.1743 0.3240 0.2063 0.0430 -0.0784 -0.0011 203 PRO A CB 1538 C CG . PRO A 203 ? 0.2449 0.2972 0.2247 0.0512 -0.0463 0.0664 203 PRO A CG 1539 C CD . PRO A 203 ? 0.1931 0.2178 0.2267 0.0431 -0.0260 0.0214 203 PRO A CD 1540 N N . ASN A 204 ? 0.1567 0.3446 0.1703 -0.0484 -0.0449 -0.0331 204 ASN A N 1541 C CA . ASN A 204 ? 0.1770 0.2842 0.1862 -0.0426 -0.0676 -0.0235 204 ASN A CA 1542 C C . ASN A 204 ? 0.1571 0.2290 0.1285 0.0080 -0.0296 -0.0197 204 ASN A C 1543 O O . ASN A 204 ? 0.2063 0.2989 0.1257 -0.0083 -0.0225 -0.0322 204 ASN A O 1544 C CB . ASN A 204 ? 0.1835 0.3882 0.1811 -0.0105 -0.0556 -0.0423 204 ASN A CB 1545 C CG . ASN A 204 ? 0.2220 0.4045 0.2565 0.0016 -0.0725 0.0174 204 ASN A CG 1546 O OD1 . ASN A 204 ? 0.3405 0.4027 0.2607 0.0096 -0.0380 0.0000 204 ASN A OD1 1547 N ND2 . ASN A 204 ? 0.4921 0.6066 0.3380 0.0186 -0.1970 0.0545 204 ASN A ND2 1548 N N . ILE A 205 ? 0.1342 0.2029 0.1187 0.0110 -0.0366 0.0108 205 ILE A N 1549 C CA A ILE A 205 ? 0.1319 0.1676 0.1032 0.0147 -0.0261 0.0115 205 ILE A CA 1550 C CA B ILE A 205 ? 0.1328 0.1661 0.1038 0.0149 -0.0259 0.0131 205 ILE A CA 1551 C C . ILE A 205 ? 0.1274 0.1553 0.0925 0.0110 -0.0206 0.0128 205 ILE A C 1552 O O . ILE A 205 ? 0.1702 0.1440 0.1007 0.0241 0.0059 0.0228 205 ILE A O 1553 C CB A ILE A 205 ? 0.1517 0.1524 0.1180 0.0119 -0.0087 0.0102 205 ILE A CB 1554 C CB B ILE A 205 ? 0.1507 0.1444 0.1137 0.0130 -0.0279 0.0223 205 ILE A CB 1555 C CG1 A ILE A 205 ? 0.1801 0.1780 0.1566 0.0321 -0.0369 -0.0014 205 ILE A CG1 1556 C CG1 B ILE A 205 ? 0.1597 0.1740 0.1431 0.0316 -0.0307 0.0186 205 ILE A CG1 1557 C CG2 A ILE A 205 ? 0.1690 0.1546 0.1422 -0.0097 -0.0020 0.0234 205 ILE A CG2 1558 C CG2 B ILE A 205 ? 0.1688 0.1406 0.1643 -0.0007 -0.0069 0.0300 205 ILE A CG2 1559 C CD1 A ILE A 205 ? 0.1635 0.1918 0.1535 0.0167 -0.0584 -0.0078 205 ILE A CD1 1560 C CD1 B ILE A 205 ? 0.2244 0.1772 0.1734 0.0916 -0.0728 0.0186 205 ILE A CD1 1561 N N . ILE A 206 ? 0.1381 0.1661 0.0779 0.0184 -0.0153 0.0227 206 ILE A N 1562 C CA . ILE A 206 ? 0.1408 0.1461 0.0965 0.0146 -0.0154 0.0118 206 ILE A CA 1563 C C . ILE A 206 ? 0.1305 0.1400 0.0868 0.0135 0.0018 0.0195 206 ILE A C 1564 O O . ILE A 206 ? 0.1516 0.1990 0.1240 0.0072 -0.0011 0.0701 206 ILE A O 1565 C CB . ILE A 206 ? 0.1791 0.1984 0.1091 0.0201 -0.0227 -0.0250 206 ILE A CB 1566 C CG1 . ILE A 206 ? 0.2316 0.2120 0.1575 -0.0073 -0.0389 -0.0253 206 ILE A CG1 1567 C CG2 . ILE A 206 ? 0.2258 0.2570 0.1321 0.0656 -0.0236 -0.0412 206 ILE A CG2 1568 C CD1 . ILE A 206 ? 0.3274 0.3662 0.2015 -0.0039 -0.0577 -0.1008 206 ILE A CD1 1569 N N . VAL A 207 ? 0.1274 0.1090 0.0784 0.0065 0.0014 0.0093 207 VAL A N 1570 C CA . VAL A 207 ? 0.1217 0.0937 0.0773 0.0049 0.0078 0.0026 207 VAL A CA 1571 C C . VAL A 207 ? 0.1042 0.0958 0.0577 -0.0020 0.0067 0.0019 207 VAL A C 1572 O O . VAL A 207 ? 0.1199 0.0961 0.0899 -0.0039 0.0258 0.0104 207 VAL A O 1573 C CB . VAL A 207 ? 0.1409 0.1152 0.0741 0.0153 0.0150 -0.0032 207 VAL A CB 1574 C CG1 . VAL A 207 ? 0.1509 0.1190 0.0800 -0.0056 -0.0026 -0.0012 207 VAL A CG1 1575 C CG2 . VAL A 207 ? 0.2011 0.1148 0.0966 0.0307 0.0156 -0.0053 207 VAL A CG2 1576 N N . SER A 208 ? 0.1105 0.0811 0.0703 -0.0036 0.0154 0.0041 208 SER A N 1577 C CA . SER A 208 ? 0.1069 0.0763 0.0763 -0.0072 0.0087 0.0010 208 SER A CA 1578 C C . SER A 208 ? 0.1161 0.0717 0.0563 -0.0106 0.0121 -0.0087 208 SER A C 1579 O O . SER A 208 ? 0.1181 0.0784 0.0632 -0.0166 0.0063 -0.0111 208 SER A O 1580 C CB . SER A 208 ? 0.0927 0.0920 0.0866 -0.0127 0.0045 -0.0053 208 SER A CB 1581 O OG . SER A 208 ? 0.1169 0.1119 0.0741 -0.0154 0.0049 -0.0019 208 SER A OG 1582 N N . ASP A 209 ? 0.1074 0.0789 0.0538 -0.0143 0.0063 -0.0137 209 ASP A N 1583 C CA . ASP A 209 ? 0.1067 0.0917 0.0586 -0.0171 0.0040 -0.0052 209 ASP A CA 1584 C C . ASP A 209 ? 0.0999 0.0894 0.0669 -0.0095 -0.0008 -0.0073 209 ASP A C 1585 O O . ASP A 209 ? 0.1077 0.1055 0.0751 -0.0226 -0.0024 0.0030 209 ASP A O 1586 C CB . ASP A 209 ? 0.1051 0.1095 0.0620 -0.0044 0.0026 -0.0066 209 ASP A CB 1587 C CG . ASP A 209 ? 0.1372 0.1026 0.0752 -0.0162 -0.0098 0.0015 209 ASP A CG 1588 O OD1 . ASP A 209 ? 0.1539 0.1235 0.0634 -0.0455 -0.0059 -0.0028 209 ASP A OD1 1589 O OD2 . ASP A 209 ? 0.2003 0.1451 0.0959 0.0372 -0.0136 0.0153 209 ASP A OD2 1590 N N . LYS A 210 ? 0.0950 0.0891 0.0606 -0.0152 0.0064 -0.0102 210 LYS A N 1591 C CA . LYS A 210 ? 0.1036 0.0944 0.0597 -0.0119 0.0064 -0.0043 210 LYS A CA 1592 C C . LYS A 210 ? 0.1201 0.0947 0.0565 -0.0258 0.0040 -0.0044 210 LYS A C 1593 O O . LYS A 210 ? 0.2102 0.1095 0.0885 -0.0541 0.0445 -0.0124 210 LYS A O 1594 C CB . LYS A 210 ? 0.1034 0.0866 0.0604 -0.0103 0.0053 -0.0079 210 LYS A CB 1595 C CG . LYS A 210 ? 0.1031 0.1027 0.0759 0.0025 0.0159 0.0049 210 LYS A CG 1596 C CD . LYS A 210 ? 0.0981 0.1414 0.1000 0.0025 0.0081 0.0252 210 LYS A CD 1597 C CE . LYS A 210 ? 0.1221 0.1809 0.1324 0.0071 0.0159 0.0493 210 LYS A CE 1598 N NZ . LYS A 210 ? 0.1497 0.2077 0.1308 0.0259 -0.0056 0.0513 210 LYS A NZ 1599 N N . THR A 211 ? 0.1138 0.0836 0.0641 -0.0076 0.0007 0.0001 211 THR A N 1600 C CA . THR A 211 ? 0.1264 0.0840 0.0728 -0.0094 -0.0079 -0.0006 211 THR A CA 1601 C C . THR A 211 ? 0.1271 0.0827 0.0710 -0.0125 -0.0021 0.0062 211 THR A C 1602 O O . THR A 211 ? 0.1697 0.0885 0.0941 -0.0176 -0.0092 0.0126 211 THR A O 1603 C CB . THR A 211 ? 0.1354 0.0972 0.0843 -0.0006 -0.0114 -0.0080 211 THR A CB 1604 O OG1 . THR A 211 ? 0.1257 0.0869 0.0938 0.0011 0.0049 -0.0008 211 THR A OG1 1605 C CG2 . THR A 211 ? 0.1236 0.1326 0.1172 0.0022 -0.0291 -0.0146 211 THR A CG2 1606 N N . LEU A 212 ? 0.1094 0.0832 0.0562 -0.0099 0.0001 -0.0086 212 LEU A N 1607 C CA . LEU A 212 ? 0.1015 0.0915 0.0549 -0.0025 0.0050 -0.0118 212 LEU A CA 1608 C C . LEU A 212 ? 0.1158 0.0992 0.0632 -0.0149 0.0060 -0.0111 212 LEU A C 1609 O O . LEU A 212 ? 0.1398 0.1457 0.0875 -0.0384 0.0349 -0.0386 212 LEU A O 1610 C CB . LEU A 212 ? 0.1036 0.0878 0.0637 -0.0050 0.0010 -0.0043 212 LEU A CB 1611 C CG . LEU A 212 ? 0.1037 0.0801 0.0622 -0.0101 -0.0001 -0.0059 212 LEU A CG 1612 C CD1 . LEU A 212 ? 0.1382 0.1024 0.0766 0.0068 0.0100 0.0129 212 LEU A CD1 1613 C CD2 . LEU A 212 ? 0.1257 0.0956 0.0749 -0.0196 0.0239 -0.0138 212 LEU A CD2 1614 N N . THR A 213 ? 0.1029 0.0961 0.0593 -0.0085 0.0105 -0.0061 213 THR A N 1615 C CA . THR A 213 ? 0.1070 0.0887 0.0695 -0.0104 0.0059 0.0110 213 THR A CA 1616 C C . THR A 213 ? 0.1105 0.0692 0.0611 -0.0149 0.0111 0.0130 213 THR A C 1617 O O . THR A 213 ? 0.1322 0.0906 0.0591 -0.0010 0.0142 0.0122 213 THR A O 1618 C CB . THR A 213 ? 0.1243 0.0904 0.0897 -0.0186 -0.0128 0.0157 213 THR A CB 1619 O OG1 . THR A 213 ? 0.1422 0.1113 0.1115 -0.0032 -0.0055 0.0439 213 THR A OG1 1620 C CG2 . THR A 213 ? 0.1238 0.0934 0.1499 -0.0139 0.0091 0.0226 213 THR A CG2 1621 N N . TYR A 214 ? 0.1005 0.0884 0.0539 -0.0196 0.0043 0.0033 214 TYR A N 1622 C CA . TYR A 214 ? 0.0996 0.0853 0.0617 -0.0249 0.0023 0.0012 214 TYR A CA 1623 C C . TYR A 214 ? 0.0991 0.0815 0.0626 -0.0219 0.0128 0.0044 214 TYR A C 1624 O O . TYR A 214 ? 0.1105 0.1014 0.0677 -0.0288 0.0158 0.0120 214 TYR A O 1625 C CB . TYR A 214 ? 0.0934 0.1028 0.0745 -0.0187 0.0047 -0.0047 214 TYR A CB 1626 C CG . TYR A 214 ? 0.1001 0.0882 0.0775 -0.0170 0.0006 -0.0070 214 TYR A CG 1627 C CD1 . TYR A 214 ? 0.0914 0.0946 0.0700 -0.0127 0.0093 -0.0059 214 TYR A CD1 1628 C CD2 . TYR A 214 ? 0.1051 0.1045 0.0763 -0.0236 -0.0021 -0.0019 214 TYR A CD2 1629 C CE1 . TYR A 214 ? 0.1021 0.0976 0.0607 -0.0190 0.0041 -0.0088 214 TYR A CE1 1630 C CE2 . TYR A 214 ? 0.1004 0.1063 0.0709 -0.0179 -0.0037 0.0020 214 TYR A CE2 1631 C CZ . TYR A 214 ? 0.1035 0.0810 0.0626 -0.0210 0.0035 -0.0132 214 TYR A CZ 1632 O OH . TYR A 214 ? 0.1059 0.1034 0.0751 -0.0336 -0.0036 -0.0088 214 TYR A OH 1633 N N . THR A 215 ? 0.0941 0.0872 0.0649 -0.0252 0.0091 0.0053 215 THR A N 1634 C CA . THR A 215 ? 0.0951 0.0923 0.0633 -0.0213 0.0073 0.0035 215 THR A CA 1635 C C . THR A 215 ? 0.0889 0.0806 0.0658 -0.0206 0.0130 0.0028 215 THR A C 1636 O O . THR A 215 ? 0.0918 0.0885 0.0761 -0.0231 0.0160 0.0066 215 THR A O 1637 C CB . THR A 215 ? 0.1045 0.0800 0.0721 -0.0207 0.0050 0.0068 215 THR A CB 1638 O OG1 . THR A 215 ? 0.1057 0.0889 0.0870 -0.0287 0.0079 0.0066 215 THR A OG1 1639 C CG2 . THR A 215 ? 0.1025 0.0970 0.0682 -0.0196 0.0109 0.0001 215 THR A CG2 1640 N N . PRO A 216 ? 0.0925 0.0918 0.0717 -0.0182 0.0157 0.0065 216 PRO A N 1641 C CA . PRO A 216 ? 0.0896 0.0932 0.0791 -0.0100 0.0197 0.0019 216 PRO A CA 1642 C C . PRO A 216 ? 0.0844 0.0902 0.0755 -0.0101 0.0222 0.0039 216 PRO A C 1643 O O . PRO A 216 ? 0.1013 0.0865 0.0759 -0.0159 0.0138 0.0089 216 PRO A O 1644 C CB . PRO A 216 ? 0.0893 0.1228 0.0982 -0.0110 0.0338 0.0065 216 PRO A CB 1645 C CG . PRO A 216 ? 0.1088 0.1421 0.0984 -0.0157 0.0311 0.0098 216 PRO A CG 1646 C CD . PRO A 216 ? 0.0969 0.1107 0.0775 -0.0270 0.0222 0.0067 216 PRO A CD 1647 N N . LEU A 217 ? 0.0888 0.0868 0.0745 -0.0113 0.0147 0.0028 217 LEU A N 1648 C CA . LEU A 217 ? 0.0840 0.0850 0.0757 -0.0071 0.0233 -0.0018 217 LEU A CA 1649 C C . LEU A 217 ? 0.0866 0.0859 0.0765 -0.0050 0.0239 -0.0035 217 LEU A C 1650 O O . LEU A 217 ? 0.0994 0.0970 0.0995 0.0115 0.0215 -0.0123 217 LEU A O 1651 C CB . LEU A 217 ? 0.0934 0.0854 0.0778 -0.0120 0.0189 0.0027 217 LEU A CB 1652 C CG . LEU A 217 ? 0.1110 0.0908 0.0740 -0.0115 0.0232 0.0096 217 LEU A CG 1653 C CD1 . LEU A 217 ? 0.0969 0.1023 0.0777 -0.0173 0.0202 0.0036 217 LEU A CD1 1654 C CD2 . LEU A 217 ? 0.1685 0.0864 0.0925 -0.0235 0.0349 -0.0006 217 LEU A CD2 1655 N N . LEU A 218 ? 0.0803 0.0893 0.0795 -0.0022 0.0160 -0.0003 218 LEU A N 1656 C CA . LEU A 218 ? 0.0786 0.0967 0.0845 0.0006 0.0241 0.0028 218 LEU A CA 1657 C C . LEU A 218 ? 0.0834 0.0909 0.0857 -0.0037 0.0228 0.0047 218 LEU A C 1658 O O . LEU A 218 ? 0.0897 0.0917 0.0864 -0.0094 0.0199 0.0111 218 LEU A O 1659 C CB . LEU A 218 ? 0.0737 0.1005 0.0865 -0.0035 0.0201 0.0011 218 LEU A CB 1660 C CG . LEU A 218 ? 0.0929 0.0960 0.1005 -0.0043 0.0210 0.0040 218 LEU A CG 1661 C CD1 . LEU A 218 ? 0.1118 0.0906 0.1336 -0.0079 0.0264 0.0098 218 LEU A CD1 1662 C CD2 . LEU A 218 ? 0.1455 0.1134 0.1013 -0.0036 0.0404 0.0092 218 LEU A CD2 1663 N N . THR A 219 ? 0.0912 0.1169 0.0860 0.0026 0.0189 0.0102 219 THR A N 1664 C CA . THR A 219 ? 0.0896 0.1314 0.1022 -0.0124 0.0099 0.0168 219 THR A CA 1665 C C . THR A 219 ? 0.0891 0.1271 0.0992 -0.0139 0.0132 0.0143 219 THR A C 1666 O O . THR A 219 ? 0.1143 0.1792 0.1086 -0.0421 0.0295 0.0030 219 THR A O 1667 C CB . THR A 219 ? 0.1140 0.1381 0.1266 0.0061 -0.0150 0.0066 219 THR A CB 1668 O OG1 . THR A 219 ? 0.1277 0.1364 0.1436 0.0026 -0.0087 -0.0030 219 THR A OG1 1669 C CG2 . THR A 219 ? 0.1635 0.1402 0.1588 0.0097 -0.0135 0.0360 219 THR A CG2 1670 N N . ASN A 220 ? 0.0706 0.1128 0.0984 0.0019 0.0101 0.0228 220 ASN A N 1671 C CA . ASN A 220 ? 0.0732 0.1024 0.0951 -0.0018 0.0174 0.0146 220 ASN A CA 1672 C C . ASN A 220 ? 0.0674 0.0941 0.0882 -0.0044 0.0113 0.0006 220 ASN A C 1673 O O . ASN A 220 ? 0.0824 0.0980 0.0957 -0.0115 0.0127 0.0077 220 ASN A O 1674 C CB . ASN A 220 ? 0.0743 0.1099 0.1133 0.0162 0.0230 0.0132 220 ASN A CB 1675 C CG . ASN A 220 ? 0.0932 0.1001 0.1076 0.0127 0.0235 0.0064 220 ASN A CG 1676 O OD1 . ASN A 220 ? 0.1063 0.1038 0.1164 0.0210 0.0005 -0.0006 220 ASN A OD1 1677 N ND2 . ASN A 220 ? 0.1199 0.0982 0.1545 0.0130 0.0309 -0.0016 220 ASN A ND2 1678 N N . PRO A 221 ? 0.0698 0.0945 0.1011 0.0065 0.0192 0.0045 221 PRO A N 1679 C CA . PRO A 221 ? 0.0783 0.0908 0.1046 0.0044 0.0202 0.0061 221 PRO A CA 1680 C C . PRO A 221 ? 0.0606 0.0862 0.1045 0.0015 0.0130 0.0015 221 PRO A C 1681 O O . PRO A 221 ? 0.0817 0.0949 0.1099 0.0151 0.0079 0.0113 221 PRO A O 1682 C CB . PRO A 221 ? 0.0865 0.1322 0.1208 0.0186 0.0327 0.0171 221 PRO A CB 1683 C CG . PRO A 221 ? 0.0826 0.1383 0.1423 -0.0044 0.0268 0.0254 221 PRO A CG 1684 C CD . PRO A 221 ? 0.0874 0.1066 0.0957 -0.0030 0.0191 0.0156 221 PRO A CD 1685 N N . VAL A 222 ? 0.0730 0.0934 0.1035 0.0178 0.0030 0.0024 222 VAL A N 1686 C CA . VAL A 222 ? 0.0891 0.1099 0.1071 0.0192 -0.0003 -0.0003 222 VAL A CA 1687 C C . VAL A 222 ? 0.0813 0.1059 0.0964 0.0170 -0.0030 -0.0023 222 VAL A C 1688 O O . VAL A 222 ? 0.0732 0.1007 0.1099 0.0144 0.0027 -0.0013 222 VAL A O 1689 C CB . VAL A 222 ? 0.0915 0.1295 0.1360 0.0084 0.0011 -0.0178 222 VAL A CB 1690 C CG1 . VAL A 222 ? 0.1115 0.1769 0.1326 0.0184 -0.0229 -0.0403 222 VAL A CG1 1691 C CG2 . VAL A 222 ? 0.0707 0.1665 0.1929 -0.0045 0.0005 -0.0252 222 VAL A CG2 1692 N N . SER A 223 ? 0.0853 0.1342 0.1083 0.0287 0.0146 0.0202 223 SER A N 1693 C CA . SER A 223 ? 0.0829 0.1182 0.0876 0.0221 0.0076 0.0034 223 SER A CA 1694 C C . SER A 223 ? 0.0793 0.1207 0.0815 0.0035 0.0050 -0.0015 223 SER A C 1695 O O . SER A 223 ? 0.0837 0.1517 0.1183 -0.0056 0.0058 -0.0303 223 SER A O 1696 C CB . SER A 223 ? 0.0867 0.1168 0.1004 0.0054 -0.0012 0.0118 223 SER A CB 1697 O OG . SER A 223 ? 0.0980 0.1083 0.0969 0.0061 0.0113 0.0003 223 SER A OG 1698 N N . THR A 224 ? 0.0839 0.0989 0.0863 0.0034 0.0062 -0.0086 224 THR A N 1699 C CA . THR A 224 ? 0.0926 0.0985 0.0940 0.0065 0.0055 -0.0064 224 THR A CA 1700 C C . THR A 224 ? 0.0985 0.1079 0.0985 0.0038 0.0149 -0.0104 224 THR A C 1701 O O . THR A 224 ? 0.1318 0.1420 0.1224 0.0373 0.0341 -0.0041 224 THR A O 1702 C CB . THR A 224 ? 0.0945 0.0892 0.0984 0.0032 0.0022 -0.0067 224 THR A CB 1703 O OG1 . THR A 224 ? 0.0848 0.0997 0.1090 0.0072 -0.0026 -0.0134 224 THR A OG1 1704 C CG2 . THR A 224 ? 0.1222 0.1113 0.0943 -0.0009 0.0044 0.0116 224 THR A CG2 1705 N N . SER A 225 ? 0.1000 0.1151 0.0911 0.0020 0.0188 -0.0025 225 SER A N 1706 C CA . SER A 225 ? 0.1037 0.1331 0.1019 -0.0222 0.0167 -0.0120 225 SER A CA 1707 C C . SER A 225 ? 0.1051 0.1363 0.0997 -0.0165 0.0101 -0.0014 225 SER A C 1708 O O . SER A 225 ? 0.1135 0.1362 0.1171 -0.0289 0.0080 -0.0124 225 SER A O 1709 C CB . SER A 225 ? 0.1393 0.1349 0.1054 -0.0496 0.0355 0.0021 225 SER A CB 1710 O OG . SER A 225 ? 0.1853 0.1732 0.1481 -0.0464 0.0325 -0.0406 225 SER A OG 1711 N N . ALA A 226 ? 0.1159 0.1566 0.1052 -0.0165 0.0197 0.0027 226 ALA A N 1712 C CA . ALA A 226 ? 0.1497 0.1489 0.1171 -0.0125 0.0149 -0.0182 226 ALA A CA 1713 C C . ALA A 226 ? 0.1274 0.1670 0.1124 -0.0142 0.0023 -0.0154 226 ALA A C 1714 O O . ALA A 226 ? 0.2034 0.2164 0.1686 -0.0152 -0.0549 -0.0541 226 ALA A O 1715 C CB . ALA A 226 ? 0.1677 0.2054 0.1112 0.0068 0.0338 -0.0182 226 ALA A CB 1716 N N . THR A 227 ? 0.1245 0.1554 0.1164 -0.0186 0.0169 -0.0165 227 THR A N 1717 C CA . THR A 227 ? 0.1551 0.1661 0.1371 0.0024 0.0141 -0.0027 227 THR A CA 1718 C C . THR A 227 ? 0.1353 0.1504 0.1449 -0.0029 0.0167 -0.0094 227 THR A C 1719 O O . THR A 227 ? 0.1293 0.1720 0.1983 -0.0155 0.0011 -0.0347 227 THR A O 1720 C CB . THR A 227 ? 0.1940 0.1803 0.2159 -0.0144 0.0145 0.0152 227 THR A CB 1721 O OG1 . THR A 227 ? 0.1987 0.2004 0.2546 -0.0590 0.0170 0.0409 227 THR A OG1 1722 C CG2 . THR A 227 ? 0.2234 0.2375 0.2272 -0.0218 0.0630 0.0577 227 THR A CG2 1723 N N . SER A 228 ? 0.1551 0.1511 0.1211 0.0254 0.0085 0.0068 228 SER A N 1724 C CA . SER A 228 ? 0.1275 0.1273 0.1322 0.0183 -0.0006 0.0096 228 SER A CA 1725 C C . SER A 228 ? 0.1636 0.2072 0.1102 0.0603 0.0038 0.0328 228 SER A C 1726 O O . SER A 228 ? 0.2138 0.3150 0.1481 0.1143 -0.0245 -0.0101 228 SER A O 1727 C CB . SER A 228 ? 0.1249 0.1354 0.1188 0.0086 -0.0006 0.0092 228 SER A CB 1728 O OG . SER A 228 ? 0.1522 0.1665 0.1900 -0.0258 0.0052 0.0009 228 SER A OG 1729 N N . THR A 229 ? 0.1745 0.2071 0.1184 0.0708 0.0004 0.0175 229 THR A N 1730 C CA . THR A 229 ? 0.2029 0.2422 0.1465 0.1081 -0.0143 0.0132 229 THR A CA 1731 C C . THR A 229 ? 0.1674 0.1889 0.1457 0.0736 -0.0468 -0.0294 229 THR A C 1732 O O . THR A 229 ? 0.1376 0.1560 0.1624 0.0381 -0.0410 -0.0144 229 THR A O 1733 C CB . THR A 229 ? 0.3088 0.2471 0.1531 0.1368 0.0578 0.0469 229 THR A CB 1734 O OG1 . THR A 229 ? 0.1854 0.1799 0.1807 0.0578 0.0728 0.0404 229 THR A OG1 1735 C CG2 . THR A 229 ? 0.4046 0.2815 0.1980 0.1508 0.1314 0.0553 229 THR A CG2 1736 N N . GLN A 230 ? 0.1793 0.2355 0.1604 0.0883 -0.0603 -0.0269 230 GLN A N 1737 C CA . GLN A 230 ? 0.1515 0.1957 0.2013 0.0823 -0.0561 -0.0414 230 GLN A CA 1738 C C . GLN A 230 ? 0.0915 0.1295 0.1946 0.0267 -0.0348 -0.0251 230 GLN A C 1739 O O . GLN A 230 ? 0.1072 0.1292 0.2170 0.0271 -0.0107 -0.0127 230 GLN A O 1740 C CB . GLN A 230 ? 0.1823 0.2146 0.2401 0.0598 -0.0957 -0.0547 230 GLN A CB 1741 C CG . GLN A 230 ? 0.1679 0.3015 0.3274 0.0082 -0.0970 -0.0448 230 GLN A CG 1742 C CD . GLN A 230 ? 0.3763 0.3231 0.4149 -0.0186 -0.0894 -0.0529 230 GLN A CD 1743 O OE1 . GLN A 230 ? 0.4616 0.4444 0.4963 -0.0494 -0.0807 -0.1474 230 GLN A OE1 1744 N NE2 . GLN A 230 ? 0.3716 0.3950 0.4887 -0.1287 -0.0444 0.0126 230 GLN A NE2 1745 N N . GLY A 231 ? 0.0786 0.1105 0.2032 0.0099 -0.0204 -0.0330 231 GLY A N 1746 C CA . GLY A 231 ? 0.0655 0.1150 0.1978 0.0062 0.0119 -0.0145 231 GLY A CA 1747 C C . GLY A 231 ? 0.0781 0.1013 0.1533 0.0130 0.0087 0.0036 231 GLY A C 1748 O O . GLY A 231 ? 0.0902 0.1123 0.1517 0.0088 0.0232 0.0000 231 GLY A O 1749 N N . GLU A 232 ? 0.0770 0.1016 0.1331 0.0098 0.0016 -0.0051 232 GLU A N 1750 C CA . GLU A 232 ? 0.0699 0.0824 0.1269 0.0092 0.0095 -0.0002 232 GLU A CA 1751 C C . GLU A 232 ? 0.0665 0.0874 0.1129 0.0092 0.0126 0.0000 232 GLU A C 1752 O O . GLU A 232 ? 0.1006 0.0854 0.1199 0.0102 0.0192 0.0004 232 GLU A O 1753 C CB . GLU A 232 ? 0.0909 0.0884 0.1131 0.0031 0.0054 0.0106 232 GLU A CB 1754 C CG . GLU A 232 ? 0.0922 0.0969 0.1233 -0.0038 0.0156 0.0139 232 GLU A CG 1755 C CD . GLU A 232 ? 0.1114 0.1083 0.1330 -0.0025 0.0229 0.0140 232 GLU A CD 1756 O OE1 . GLU A 232 ? 0.1427 0.1519 0.1334 -0.0168 0.0273 0.0013 232 GLU A OE1 1757 O OE2 . GLU A 232 ? 0.1036 0.1280 0.1604 0.0010 0.0317 0.0228 232 GLU A OE2 1758 N N . PRO A 233 ? 0.0636 0.0850 0.1110 0.0135 0.0128 -0.0028 233 PRO A N 1759 C CA . PRO A 233 ? 0.0654 0.0883 0.0999 0.0069 0.0176 0.0017 233 PRO A CA 1760 C C . PRO A 233 ? 0.0531 0.0785 0.0881 0.0022 0.0052 0.0011 233 PRO A C 1761 O O . PRO A 233 ? 0.0670 0.0814 0.1189 0.0093 0.0207 0.0132 233 PRO A O 1762 C CB . PRO A 233 ? 0.1071 0.1056 0.1057 0.0119 0.0283 -0.0102 233 PRO A CB 1763 C CG . PRO A 233 ? 0.1253 0.1201 0.1183 0.0115 0.0084 -0.0027 233 PRO A CG 1764 C CD . PRO A 233 ? 0.0896 0.0889 0.1367 0.0218 0.0040 -0.0117 233 PRO A CD 1765 N N . SER A 234 ? 0.0558 0.0864 0.0875 0.0037 0.0065 0.0127 234 SER A N 1766 C CA . SER A 234 ? 0.0562 0.0792 0.0842 -0.0012 0.0077 0.0076 234 SER A CA 1767 C C . SER A 234 ? 0.0631 0.0654 0.0829 0.0059 0.0063 0.0133 234 SER A C 1768 O O . SER A 234 ? 0.0806 0.0931 0.0893 -0.0032 0.0115 0.0038 234 SER A O 1769 C CB . SER A 234 ? 0.0566 0.0782 0.0784 -0.0035 0.0011 0.0112 234 SER A CB 1770 O OG . SER A 234 ? 0.0599 0.0813 0.0861 0.0048 -0.0001 0.0031 234 SER A OG 1771 N N . VAL A 235 ? 0.0612 0.0694 0.0835 -0.0023 0.0053 0.0063 235 VAL A N 1772 C CA . VAL A 235 ? 0.0670 0.0672 0.0970 0.0039 0.0022 0.0095 235 VAL A CA 1773 C C . VAL A 235 ? 0.0599 0.0673 0.0832 -0.0009 0.0099 0.0127 235 VAL A C 1774 O O . VAL A 235 ? 0.0637 0.0644 0.1053 -0.0023 0.0012 0.0078 235 VAL A O 1775 C CB . VAL A 235 ? 0.0895 0.0888 0.1194 -0.0085 -0.0054 0.0274 235 VAL A CB 1776 C CG1 . VAL A 235 ? 0.1065 0.1019 0.1480 -0.0015 -0.0242 0.0365 235 VAL A CG1 1777 C CG2 . VAL A 235 ? 0.1339 0.1393 0.1142 -0.0006 0.0572 0.0341 235 VAL A CG2 1778 N N . GLU A 236 ? 0.0548 0.0657 0.0806 0.0025 0.0094 0.0088 236 GLU A N 1779 C CA . GLU A 236 ? 0.0538 0.0678 0.0736 0.0015 0.0051 0.0062 236 GLU A CA 1780 C C . GLU A 236 ? 0.0564 0.0633 0.0758 0.0000 0.0111 0.0042 236 GLU A C 1781 O O . GLU A 236 ? 0.0605 0.0820 0.0833 0.0083 0.0189 0.0071 236 GLU A O 1782 C CB . GLU A 236 ? 0.0636 0.0768 0.0709 -0.0004 0.0115 0.0004 236 GLU A CB 1783 C CG . GLU A 236 ? 0.0653 0.0878 0.0763 -0.0028 0.0111 0.0033 236 GLU A CG 1784 C CD . GLU A 236 ? 0.0780 0.0805 0.0801 -0.0025 0.0092 0.0072 236 GLU A CD 1785 O OE1 . GLU A 236 ? 0.0774 0.0952 0.1009 0.0089 0.0120 0.0017 236 GLU A OE1 1786 O OE2 . GLU A 236 ? 0.0983 0.1008 0.0987 0.0104 -0.0091 -0.0158 236 GLU A OE2 1787 N N . TYR A 237 ? 0.0612 0.0604 0.0699 0.0021 0.0095 0.0037 237 TYR A N 1788 C CA . TYR A 237 ? 0.0626 0.0603 0.0708 0.0015 0.0116 0.0037 237 TYR A CA 1789 C C . TYR A 237 ? 0.0593 0.0619 0.0685 -0.0039 0.0082 0.0031 237 TYR A C 1790 O O . TYR A 237 ? 0.0687 0.0647 0.0964 -0.0032 0.0243 0.0002 237 TYR A O 1791 C CB . TYR A 237 ? 0.0663 0.0642 0.0688 -0.0005 0.0105 0.0079 237 TYR A CB 1792 C CG . TYR A 237 ? 0.0589 0.0717 0.0623 -0.0079 0.0039 0.0083 237 TYR A CG 1793 C CD1 . TYR A 237 ? 0.0715 0.0755 0.0638 -0.0100 0.0148 0.0062 237 TYR A CD1 1794 C CD2 . TYR A 237 ? 0.0716 0.0644 0.0645 -0.0027 0.0137 -0.0008 237 TYR A CD2 1795 C CE1 . TYR A 237 ? 0.0672 0.0761 0.0618 -0.0131 0.0161 -0.0061 237 TYR A CE1 1796 C CE2 . TYR A 237 ? 0.0704 0.0672 0.0545 -0.0039 0.0145 0.0071 237 TYR A CE2 1797 C CZ . TYR A 237 ? 0.0603 0.0654 0.0630 -0.0074 0.0089 0.0023 237 TYR A CZ 1798 O OH . TYR A 237 ? 0.0792 0.0654 0.0638 -0.0105 0.0151 0.0024 237 TYR A OH 1799 N N . PHE A 238 ? 0.0705 0.0582 0.0702 -0.0034 0.0170 0.0044 238 PHE A N 1800 C CA . PHE A 238 ? 0.0738 0.0631 0.0778 -0.0040 0.0135 0.0048 238 PHE A CA 1801 C C . PHE A 238 ? 0.0680 0.0623 0.0748 -0.0078 0.0181 0.0028 238 PHE A C 1802 O O . PHE A 238 ? 0.0881 0.0688 0.0695 -0.0070 0.0188 0.0000 238 PHE A O 1803 C CB . PHE A 238 ? 0.0718 0.0664 0.0757 -0.0100 0.0187 0.0000 238 PHE A CB 1804 C CG . PHE A 238 ? 0.0547 0.0854 0.0831 0.0000 0.0118 0.0083 238 PHE A CG 1805 C CD1 . PHE A 238 ? 0.0678 0.1094 0.1031 -0.0123 0.0006 0.0281 238 PHE A CD1 1806 C CD2 . PHE A 238 ? 0.0920 0.0812 0.0941 0.0082 -0.0009 -0.0063 238 PHE A CD2 1807 C CE1 . PHE A 238 ? 0.0582 0.1336 0.1013 -0.0026 0.0047 0.0398 238 PHE A CE1 1808 C CE2 . PHE A 238 ? 0.0936 0.1114 0.1003 0.0021 -0.0028 -0.0096 238 PHE A CE2 1809 C CZ . PHE A 238 ? 0.0747 0.1405 0.1035 -0.0093 0.0102 0.0008 238 PHE A CZ 1810 N N . ILE A 239 ? 0.0801 0.0638 0.0726 -0.0152 0.0146 0.0033 239 ILE A N 1811 C CA . ILE A 239 ? 0.0838 0.0692 0.0701 -0.0129 0.0164 0.0057 239 ILE A CA 1812 C C . ILE A 239 ? 0.0877 0.0625 0.0734 -0.0126 0.0161 0.0062 239 ILE A C 1813 O O . ILE A 239 ? 0.1029 0.0791 0.0733 -0.0236 0.0130 0.0006 239 ILE A O 1814 C CB . ILE A 239 ? 0.0895 0.0770 0.0734 -0.0135 0.0140 0.0078 239 ILE A CB 1815 C CG1 . ILE A 239 ? 0.0940 0.0875 0.0893 -0.0073 0.0166 -0.0021 239 ILE A CG1 1816 C CG2 . ILE A 239 ? 0.0863 0.0836 0.0839 -0.0191 0.0041 0.0113 239 ILE A CG2 1817 C CD1 . ILE A 239 ? 0.1108 0.1015 0.1276 0.0169 0.0039 0.0000 239 ILE A CD1 1818 N N . GLY A 240 ? 0.0846 0.0731 0.0707 -0.0145 0.0118 0.0082 240 GLY A N 1819 C CA . GLY A 240 ? 0.0856 0.0819 0.0800 -0.0168 0.0181 0.0118 240 GLY A CA 1820 C C . GLY A 240 ? 0.0959 0.0672 0.0854 -0.0239 0.0119 0.0068 240 GLY A C 1821 O O . GLY A 240 ? 0.1595 0.0914 0.0855 0.0014 0.0145 0.0086 240 GLY A O 1822 N N . VAL A 241 ? 0.0966 0.0768 0.0821 -0.0045 0.0078 0.0124 241 VAL A N 1823 C CA . VAL A 241 ? 0.0909 0.0813 0.0871 -0.0125 0.0034 0.0080 241 VAL A CA 1824 C C . VAL A 241 ? 0.0959 0.0795 0.1057 -0.0082 0.0101 0.0018 241 VAL A C 1825 O O . VAL A 241 ? 0.0957 0.1331 0.1227 -0.0310 -0.0041 0.0114 241 VAL A O 1826 C CB . VAL A 241 ? 0.1035 0.0876 0.0848 -0.0127 0.0098 0.0028 241 VAL A CB 1827 C CG1 . VAL A 241 ? 0.1125 0.0814 0.1077 -0.0019 0.0214 0.0012 241 VAL A CG1 1828 C CG2 . VAL A 241 ? 0.1107 0.0850 0.0979 -0.0060 0.0203 0.0125 241 VAL A CG2 1829 N N . LYS A 242 ? 0.0894 0.0783 0.1079 -0.0149 0.0174 0.0043 242 LYS A N 1830 C CA . LYS A 242 ? 0.0894 0.0871 0.1338 -0.0121 0.0200 0.0140 242 LYS A CA 1831 C C . LYS A 242 ? 0.0984 0.0807 0.1120 -0.0176 0.0240 0.0161 242 LYS A C 1832 O O . LYS A 242 ? 0.0984 0.0890 0.1690 -0.0284 0.0201 0.0212 242 LYS A O 1833 C CB . LYS A 242 ? 0.1346 0.1086 0.1421 -0.0244 0.0442 0.0061 242 LYS A CB 1834 C CG . LYS A 242 ? 0.1675 0.1194 0.1813 -0.0117 0.0364 -0.0075 242 LYS A CG 1835 C CD . LYS A 242 ? 0.2044 0.1779 0.2285 -0.0145 0.0552 -0.0216 242 LYS A CD 1836 C CE . LYS A 242 ? 0.3462 0.3297 0.2832 -0.0106 0.0031 0.0176 242 LYS A CE 1837 N NZ . LYS A 242 ? 0.4779 0.3997 0.3618 0.0096 0.1268 0.0218 242 LYS A NZ 1838 N N . SER A 243 ? 0.0946 0.0744 0.1323 -0.0195 0.0183 0.0076 243 SER A N 1839 C CA A SER A 243 ? 0.0946 0.0728 0.1330 -0.0180 0.0119 0.0062 243 SER A CA 1840 C CA B SER A 243 ? 0.0962 0.0729 0.1189 -0.0166 0.0137 0.0058 243 SER A CA 1841 C C . SER A 243 ? 0.0953 0.0668 0.1219 -0.0174 0.0143 0.0092 243 SER A C 1842 O O . SER A 243 ? 0.0978 0.0728 0.1265 -0.0212 0.0204 0.0031 243 SER A O 1843 C CB A SER A 243 ? 0.1148 0.0968 0.1367 -0.0042 0.0163 0.0215 243 SER A CB 1844 C CB B SER A 243 ? 0.0950 0.0880 0.1179 -0.0228 0.0214 0.0108 243 SER A CB 1845 O OG A SER A 243 ? 0.1720 0.1422 0.1707 -0.0435 0.0096 0.0283 243 SER A OG 1846 O OG B SER A 243 ? 0.1182 0.0943 0.1281 -0.0040 0.0358 0.0230 243 SER A OG 1847 N N . ILE A 244 ? 0.0883 0.0735 0.1340 -0.0169 0.0134 -0.0068 244 ILE A N 1848 C CA . ILE A 244 ? 0.0882 0.0672 0.1296 -0.0179 0.0095 0.0048 244 ILE A CA 1849 C C . ILE A 244 ? 0.0988 0.0758 0.1198 -0.0175 0.0047 -0.0005 244 ILE A C 1850 O O . ILE A 244 ? 0.0979 0.0752 0.1350 -0.0193 0.0048 0.0077 244 ILE A O 1851 C CB . ILE A 244 ? 0.0978 0.0768 0.1308 -0.0196 0.0097 0.0028 244 ILE A CB 1852 C CG1 . ILE A 244 ? 0.1011 0.0931 0.1341 -0.0166 0.0089 0.0098 244 ILE A CG1 1853 C CG2 . ILE A 244 ? 0.1055 0.1199 0.1284 0.0034 0.0073 -0.0052 244 ILE A CG2 1854 C CD1 . ILE A 244 ? 0.1370 0.1137 0.1361 -0.0213 0.0185 0.0043 244 ILE A CD1 1855 N N . LYS A 245 ? 0.0985 0.0719 0.1274 -0.0185 -0.0003 0.0043 245 LYS A N 1856 C CA . LYS A 245 ? 0.0942 0.0826 0.1247 -0.0116 0.0075 0.0043 245 LYS A CA 1857 C C . LYS A 245 ? 0.0982 0.0764 0.1286 -0.0206 0.0130 0.0055 245 LYS A C 1858 O O . LYS A 245 ? 0.1092 0.0799 0.1680 -0.0215 0.0312 -0.0012 245 LYS A O 1859 C CB . LYS A 245 ? 0.1136 0.1026 0.1291 -0.0063 0.0019 0.0001 245 LYS A CB 1860 C CG . LYS A 245 ? 0.1463 0.1414 0.1338 -0.0158 0.0210 -0.0038 245 LYS A CG 1861 C CD . LYS A 245 ? 0.2276 0.2120 0.1437 -0.0007 0.0206 -0.0114 245 LYS A CD 1862 C CE . LYS A 245 ? 0.2764 0.3255 0.1876 0.0096 0.0428 -0.0445 245 LYS A CE 1863 N NZ . LYS A 245 ? 0.4646 0.4088 0.3393 0.0009 0.0400 0.0388 245 LYS A NZ 1864 N N . ILE A 246 ? 0.0993 0.0766 0.1177 -0.0120 0.0113 0.0098 246 ILE A N 1865 C CA . ILE A 246 ? 0.0951 0.0818 0.1294 -0.0067 0.0170 0.0073 246 ILE A CA 1866 C C . ILE A 246 ? 0.1144 0.0865 0.1445 -0.0062 0.0119 0.0180 246 ILE A C 1867 O O . ILE A 246 ? 0.1286 0.0894 0.1588 -0.0103 0.0095 0.0330 246 ILE A O 1868 C CB . ILE A 246 ? 0.1159 0.0897 0.1355 -0.0099 0.0256 -0.0053 246 ILE A CB 1869 C CG1 . ILE A 246 ? 0.1116 0.1059 0.1281 -0.0162 0.0160 -0.0011 246 ILE A CG1 1870 C CG2 . ILE A 246 ? 0.1464 0.1190 0.1678 0.0039 0.0445 -0.0051 246 ILE A CG2 1871 C CD1 . ILE A 246 ? 0.1635 0.1416 0.1308 -0.0114 0.0007 -0.0074 246 ILE A CD1 1872 N N . ASN A 247 ? 0.1135 0.1026 0.1721 -0.0034 0.0090 0.0363 247 ASN A N 1873 C CA . ASN A 247 ? 0.1295 0.1277 0.1812 0.0019 0.0017 0.0509 247 ASN A CA 1874 C C . ASN A 247 ? 0.1347 0.1357 0.1522 -0.0111 -0.0173 0.0496 247 ASN A C 1875 O O . ASN A 247 ? 0.1598 0.1672 0.1715 -0.0015 -0.0137 0.0684 247 ASN A O 1876 C CB . ASN A 247 ? 0.1638 0.1252 0.1892 0.0207 -0.0030 0.0493 247 ASN A CB 1877 C CG . ASN A 247 ? 0.1482 0.1704 0.2814 0.0181 -0.0286 0.0756 247 ASN A CG 1878 O OD1 . ASN A 247 ? 0.1552 0.2225 0.3498 0.0245 -0.0751 0.0656 247 ASN A OD1 1879 N ND2 . ASN A 247 ? 0.2199 0.1779 0.3696 0.0391 -0.0647 0.1112 247 ASN A ND2 1880 N N . SER A 248 ? 0.1215 0.1362 0.1462 -0.0212 -0.0158 0.0232 248 SER A N 1881 C CA . SER A 248 ? 0.1408 0.1758 0.1537 -0.0059 -0.0163 0.0072 248 SER A CA 1882 C C . SER A 248 ? 0.1378 0.1779 0.1608 -0.0114 0.0117 0.0272 248 SER A C 1883 O O . SER A 248 ? 0.1875 0.2996 0.1496 -0.0322 0.0283 0.0080 248 SER A O 1884 C CB . SER A 248 ? 0.2021 0.2388 0.1602 0.0062 -0.0330 0.0004 248 SER A CB 1885 O OG . SER A 248 ? 0.2374 0.3977 0.2538 -0.0592 -0.0660 0.0106 248 SER A OG 1886 N N . LYS A 249 ? 0.1211 0.1492 0.1486 -0.0175 0.0046 0.0477 249 LYS A N 1887 C CA . LYS A 249 ? 0.1109 0.1446 0.1444 -0.0095 0.0186 0.0503 249 LYS A CA 1888 C C . LYS A 249 ? 0.1000 0.1198 0.1444 -0.0384 0.0053 0.0432 249 LYS A C 1889 O O . LYS A 249 ? 0.0996 0.0975 0.1394 -0.0167 0.0125 0.0355 249 LYS A O 1890 C CB . LYS A 249 ? 0.1527 0.1243 0.2004 -0.0179 0.0001 0.0479 249 LYS A CB 1891 C CG . LYS A 249 ? 0.2336 0.1584 0.2776 0.0088 -0.0265 0.0905 249 LYS A CG 1892 C CD . LYS A 249 ? 0.2920 0.2033 0.3186 0.0385 -0.0220 0.0473 249 LYS A CD 1893 C CE . LYS A 249 ? 0.3171 0.2421 0.4004 0.0600 -0.0183 0.0430 249 LYS A CE 1894 N NZ . LYS A 249 ? 0.4971 0.3183 0.2952 0.0069 0.1232 0.0379 249 LYS A NZ 1895 N N . ILE A 250 ? 0.1036 0.1540 0.1612 -0.0220 0.0210 0.0667 250 ILE A N 1896 C CA . ILE A 250 ? 0.1151 0.1403 0.1494 -0.0259 0.0062 0.0465 250 ILE A CA 1897 C C . ILE A 250 ? 0.0953 0.0915 0.1748 -0.0219 0.0051 0.0285 250 ILE A C 1898 O O . ILE A 250 ? 0.1487 0.0989 0.2367 -0.0399 -0.0251 0.0409 250 ILE A O 1899 C CB . ILE A 250 ? 0.1158 0.1984 0.1623 -0.0223 0.0203 0.0687 250 ILE A CB 1900 C CG1 . ILE A 250 ? 0.1367 0.2357 0.1643 0.0025 0.0213 0.0352 250 ILE A CG1 1901 C CG2 . ILE A 250 ? 0.1049 0.1915 0.1755 -0.0107 0.0191 0.0498 250 ILE A CG2 1902 C CD1 . ILE A 250 ? 0.1735 0.2192 0.2275 0.0142 0.0332 0.0362 250 ILE A CD1 1903 N N . VAL A 251 ? 0.0965 0.0765 0.1429 -0.0179 0.0061 0.0079 251 VAL A N 1904 C CA . VAL A 251 ? 0.0876 0.0947 0.1534 -0.0131 0.0103 -0.0155 251 VAL A CA 1905 C C . VAL A 251 ? 0.1025 0.0810 0.1298 -0.0146 0.0048 0.0028 251 VAL A C 1906 O O . VAL A 251 ? 0.1383 0.0790 0.1685 -0.0063 -0.0275 -0.0027 251 VAL A O 1907 C CB . VAL A 251 ? 0.1081 0.1506 0.1555 -0.0300 0.0193 -0.0309 251 VAL A CB 1908 C CG1 . VAL A 251 ? 0.1531 0.1821 0.1519 -0.0351 0.0190 -0.0440 251 VAL A CG1 1909 C CG2 . VAL A 251 ? 0.0966 0.2487 0.2138 -0.0119 0.0182 -0.0776 251 VAL A CG2 1910 N N . ALA A 252 ? 0.0973 0.0903 0.2096 -0.0207 -0.0016 0.0387 252 ALA A N 1911 C CA . ALA A 252 ? 0.1040 0.1315 0.1802 -0.0210 0.0131 0.0629 252 ALA A CA 1912 C C . ALA A 252 ? 0.0951 0.0994 0.1589 -0.0141 0.0242 0.0391 252 ALA A C 1913 O O . ALA A 252 ? 0.1572 0.0921 0.1787 -0.0131 0.0328 0.0266 252 ALA A O 1914 C CB . ALA A 252 ? 0.1306 0.1832 0.2320 -0.0686 -0.0196 0.1239 252 ALA A CB 1915 N N . LEU A 253 ? 0.1018 0.0965 0.1318 -0.0186 0.0170 0.0291 253 LEU A N 1916 C CA . LEU A 253 ? 0.1128 0.0932 0.1199 -0.0165 0.0211 0.0293 253 LEU A CA 1917 C C . LEU A 253 ? 0.1036 0.0967 0.1308 -0.0346 0.0072 0.0265 253 LEU A C 1918 O O . LEU A 253 ? 0.1086 0.1120 0.1417 -0.0244 0.0126 0.0400 253 LEU A O 1919 C CB . LEU A 253 ? 0.1164 0.0929 0.1396 -0.0151 0.0194 0.0246 253 LEU A CB 1920 C CG . LEU A 253 ? 0.1118 0.0934 0.1647 -0.0262 0.0034 0.0348 253 LEU A CG 1921 C CD1 . LEU A 253 ? 0.1298 0.1367 0.2040 -0.0496 0.0072 0.0294 253 LEU A CD1 1922 C CD2 . LEU A 253 ? 0.1226 0.1183 0.1786 -0.0251 0.0328 0.0216 253 LEU A CD2 1923 N N . ASN A 254 ? 0.1127 0.1183 0.1346 -0.0191 0.0087 0.0351 254 ASN A N 1924 C CA . ASN A 254 ? 0.1154 0.1084 0.1495 -0.0200 0.0023 0.0360 254 ASN A CA 1925 C C . ASN A 254 ? 0.1029 0.1045 0.1363 -0.0303 -0.0003 0.0389 254 ASN A C 1926 O O . ASN A 254 ? 0.1133 0.1048 0.1599 -0.0141 0.0172 0.0506 254 ASN A O 1927 C CB . ASN A 254 ? 0.1345 0.1347 0.1600 0.0053 -0.0044 0.0207 254 ASN A CB 1928 C CG . ASN A 254 ? 0.1144 0.1258 0.1758 -0.0237 -0.0115 0.0103 254 ASN A CG 1929 O OD1 . ASN A 254 ? 0.1204 0.1522 0.2043 0.0027 -0.0105 0.0093 254 ASN A OD1 1930 N ND2 . ASN A 254 ? 0.1200 0.1617 0.1765 -0.0278 -0.0200 0.0127 254 ASN A ND2 1931 N N . THR A 255 ? 0.1133 0.1081 0.1505 -0.0393 0.0120 0.0355 255 THR A N 1932 C CA . THR A 255 ? 0.1627 0.1311 0.1426 -0.0474 -0.0101 0.0333 255 THR A CA 1933 C C . THR A 255 ? 0.1375 0.1181 0.1452 -0.0303 0.0243 0.0157 255 THR A C 1934 O O . THR A 255 ? 0.1862 0.1083 0.1490 -0.0368 0.0374 0.0162 255 THR A O 1935 C CB . THR A 255 ? 0.2257 0.1441 0.1458 -0.0581 -0.0138 0.0195 255 THR A CB 1936 O OG1 . THR A 255 ? 0.2184 0.2313 0.2015 -0.0477 0.0533 0.0598 255 THR A OG1 1937 C CG2 . THR A 255 ? 0.2787 0.1648 0.1722 -0.0715 -0.0392 0.0497 255 THR A CG2 1938 N N . SER A 256 ? 0.1123 0.1242 0.1730 -0.0222 0.0234 0.0453 256 SER A N 1939 C CA A SER A 256 ? 0.1102 0.1358 0.1895 -0.0009 0.0421 0.0464 256 SER A CA 1940 C CA B SER A 256 ? 0.1092 0.1341 0.1926 -0.0002 0.0418 0.0485 256 SER A CA 1941 C C . SER A 256 ? 0.1145 0.1135 0.1724 -0.0053 0.0262 0.0454 256 SER A C 1942 O O . SER A 256 ? 0.1347 0.1250 0.2402 0.0191 0.0648 0.0683 256 SER A O 1943 C CB A SER A 256 ? 0.0929 0.1718 0.2190 -0.0040 0.0379 0.0488 256 SER A CB 1944 C CB B SER A 256 ? 0.1054 0.1220 0.2059 -0.0025 0.0274 0.0546 256 SER A CB 1945 O OG A SER A 256 ? 0.1656 0.1844 0.2430 -0.0356 -0.0017 0.0168 256 SER A OG 1946 O OG B SER A 256 ? 0.1298 0.1776 0.2417 0.0002 -0.0053 0.0887 256 SER A OG 1947 N N . LEU A 257 ? 0.0938 0.0894 0.1451 -0.0217 0.0160 0.0352 257 LEU A N 1948 C CA . LEU A 257 ? 0.0951 0.0889 0.1312 -0.0201 0.0087 0.0225 257 LEU A CA 1949 C C . LEU A 257 ? 0.0879 0.0863 0.1279 -0.0160 0.0107 0.0222 257 LEU A C 1950 O O . LEU A 257 ? 0.1027 0.0899 0.1108 -0.0291 0.0120 0.0153 257 LEU A O 1951 C CB . LEU A 257 ? 0.1066 0.0892 0.1423 -0.0218 0.0145 0.0213 257 LEU A CB 1952 C CG . LEU A 257 ? 0.1375 0.0996 0.1644 -0.0283 0.0269 -0.0021 257 LEU A CG 1953 C CD1 . LEU A 257 ? 0.1742 0.1134 0.2489 -0.0273 0.0695 -0.0281 257 LEU A CD1 1954 C CD2 . LEU A 257 ? 0.2594 0.1674 0.1521 -0.0564 -0.0258 -0.0107 257 LEU A CD2 1955 N N . LEU A 258 ? 0.1026 0.1227 0.1246 -0.0316 0.0152 0.0269 258 LEU A N 1956 C CA . LEU A 258 ? 0.0985 0.1253 0.1163 -0.0265 0.0200 0.0155 258 LEU A CA 1957 C C . LEU A 258 ? 0.1150 0.1179 0.1122 -0.0241 0.0296 0.0355 258 LEU A C 1958 O O . LEU A 258 ? 0.1121 0.1278 0.1548 -0.0296 0.0254 0.0389 258 LEU A O 1959 C CB . LEU A 258 ? 0.1006 0.1287 0.1316 -0.0186 0.0075 0.0162 258 LEU A CB 1960 C CG . LEU A 258 ? 0.1212 0.1304 0.1435 -0.0120 -0.0040 0.0185 258 LEU A CG 1961 C CD1 . LEU A 258 ? 0.1541 0.1433 0.1585 0.0039 -0.0156 0.0145 258 LEU A CD1 1962 C CD2 . LEU A 258 ? 0.1369 0.1562 0.1771 -0.0090 0.0197 -0.0005 258 LEU A CD2 1963 N N . SER A 259 ? 0.1134 0.1232 0.1423 -0.0145 0.0264 0.0252 259 SER A N 1964 C CA A SER A 259 ? 0.1270 0.1361 0.1300 -0.0020 0.0379 0.0235 259 SER A CA 1965 C CA B SER A 259 ? 0.1336 0.1385 0.1342 0.0051 0.0250 0.0240 259 SER A CA 1966 C C . SER A 259 ? 0.1192 0.1322 0.1361 -0.0018 0.0334 0.0369 259 SER A C 1967 O O . SER A 259 ? 0.1485 0.1621 0.1396 -0.0155 0.0073 0.0237 259 SER A O 1968 C CB A SER A 259 ? 0.1279 0.1445 0.1702 -0.0057 0.0454 0.0197 259 SER A CB 1969 C CB B SER A 259 ? 0.1500 0.1679 0.1796 -0.0002 0.0495 0.0315 259 SER A CB 1970 O OG A SER A 259 ? 0.2013 0.2076 0.1829 -0.0057 0.0792 0.0552 259 SER A OG 1971 O OG B SER A 259 ? 0.1620 0.2052 0.2396 -0.0043 0.0585 -0.0158 259 SER A OG 1972 N N . ILE A 260 ? 0.2103 0.1435 0.1436 0.0373 0.0497 0.0441 260 ILE A N 1973 C CA . ILE A 260 ? 0.1548 0.1554 0.1567 0.0388 0.0388 0.0464 260 ILE A CA 1974 C C . ILE A 260 ? 0.1530 0.1575 0.2122 0.0257 0.0546 0.0410 260 ILE A C 1975 O O . ILE A 260 ? 0.1734 0.1989 0.2504 0.0219 0.0907 0.0264 260 ILE A O 1976 C CB . ILE A 260 ? 0.1571 0.1471 0.1930 0.0414 0.0524 0.0456 260 ILE A CB 1977 C CG1 . ILE A 260 ? 0.1486 0.1904 0.1935 0.0464 0.0600 0.0330 260 ILE A CG1 1978 C CG2 . ILE A 260 ? 0.1652 0.1516 0.2109 0.0310 0.0459 0.0616 260 ILE A CG2 1979 C CD1 . ILE A 260 ? 0.1706 0.1852 0.2251 0.0250 0.0409 0.0476 260 ILE A CD1 1980 N N . SER A 261 ? 0.1279 0.2074 0.2046 0.0081 0.0461 0.0414 261 SER A N 1981 C CA . SER A 261 ? 0.1453 0.2093 0.2522 -0.0040 0.0496 0.0564 261 SER A CA 1982 C C . SER A 261 ? 0.1290 0.2044 0.3150 -0.0038 0.0024 0.0675 261 SER A C 1983 O O . SER A 261 ? 0.1475 0.1880 0.3171 0.0156 0.0082 0.0427 261 SER A O 1984 C CB . SER A 261 ? 0.1226 0.2075 0.2621 -0.0149 0.0339 0.0324 261 SER A CB 1985 O OG . SER A 261 ? 0.1330 0.3098 0.3009 -0.0425 0.0102 0.1114 261 SER A OG 1986 N N . SER A 262 ? 0.1500 0.2479 0.3427 0.0218 0.0208 0.0673 262 SER A N 1987 C CA . SER A 262 ? 0.1908 0.2603 0.3657 0.0325 0.0063 0.0472 262 SER A CA 1988 C C . SER A 262 ? 0.1291 0.2190 0.3585 0.0021 -0.0082 0.0674 262 SER A C 1989 O O . SER A 262 ? 0.2002 0.2235 0.4028 -0.0073 -0.0119 0.1004 262 SER A O 1990 C CB . SER A 262 ? 0.2179 0.3750 0.4051 0.1055 -0.0094 0.0419 262 SER A CB 1991 O OG . SER A 262 ? 0.1873 0.4996 0.4660 -0.0227 0.0402 0.0595 262 SER A OG 1992 N N . ALA A 263 ? 0.1650 0.2402 0.3246 0.0034 0.0264 0.0636 263 ALA A N 1993 C CA . ALA A 263 ? 0.1604 0.2841 0.3067 0.0213 -0.0206 0.0447 263 ALA A CA 1994 C C . ALA A 263 ? 0.1535 0.2197 0.2607 0.0186 -0.0141 0.0841 263 ALA A C 1995 O O . ALA A 263 ? 0.2080 0.2328 0.2760 0.0510 -0.0019 0.0594 263 ALA A O 1996 C CB . ALA A 263 ? 0.1950 0.2940 0.3922 -0.0165 -0.0640 0.0005 263 ALA A CB 1997 N N . GLY A 264 ? 0.1330 0.2457 0.2694 0.0251 -0.0077 0.1031 264 GLY A N 1998 C CA . GLY A 264 ? 0.1314 0.1761 0.2345 0.0259 0.0029 0.0622 264 GLY A CA 1999 C C . GLY A 264 ? 0.1161 0.1515 0.1734 -0.0055 -0.0002 0.0570 264 GLY A C 2000 O O . GLY A 264 ? 0.1208 0.1141 0.1775 -0.0160 0.0082 0.0194 264 GLY A O 2001 N N . LEU A 265 ? 0.1069 0.1712 0.1856 -0.0165 -0.0175 0.0674 265 LEU A N 2002 C CA . LEU A 265 ? 0.1103 0.1432 0.1537 -0.0422 -0.0227 0.0538 265 LEU A CA 2003 C C . LEU A 265 ? 0.1058 0.1370 0.1538 -0.0237 -0.0086 0.0548 265 LEU A C 2004 O O . LEU A 265 ? 0.1125 0.1890 0.1855 0.0076 0.0164 0.0826 265 LEU A O 2005 C CB . LEU A 265 ? 0.1474 0.1680 0.1941 -0.0618 -0.0364 0.0393 265 LEU A CB 2006 C CG . LEU A 265 ? 0.1998 0.2777 0.2039 -0.0205 -0.0663 0.0114 265 LEU A CG 2007 C CD1 . LEU A 265 ? 0.2455 0.3858 0.2853 -0.1038 -0.0894 -0.0051 265 LEU A CD1 2008 C CD2 . LEU A 265 ? 0.2329 0.2867 0.1980 -0.0707 -0.0766 0.0394 265 LEU A CD2 2009 N N . GLY A 266 ? 0.1037 0.1102 0.1225 -0.0285 -0.0139 0.0182 266 GLY A N 2010 C CA . GLY A 266 ? 0.0872 0.0982 0.1228 -0.0204 -0.0102 0.0148 266 GLY A CA 2011 C C . GLY A 266 ? 0.0875 0.0737 0.1034 -0.0084 0.0027 0.0086 266 GLY A C 2012 O O . GLY A 266 ? 0.1148 0.1038 0.1337 -0.0350 -0.0147 0.0367 266 GLY A O 2013 N N . GLY A 267 ? 0.0754 0.0805 0.0992 -0.0109 0.0078 0.0114 267 GLY A N 2014 C CA . GLY A 267 ? 0.0780 0.0852 0.0924 -0.0098 0.0114 0.0067 267 GLY A CA 2015 C C . GLY A 267 ? 0.0789 0.0608 0.0766 -0.0122 0.0137 0.0113 267 GLY A C 2016 O O . GLY A 267 ? 0.0782 0.0710 0.0963 -0.0129 0.0100 -0.0023 267 GLY A O 2017 N N . THR A 268 ? 0.0730 0.0692 0.0800 -0.0103 0.0182 0.0036 268 THR A N 2018 C CA . THR A 268 ? 0.0699 0.0676 0.0739 -0.0080 0.0169 0.0047 268 THR A CA 2019 C C . THR A 268 ? 0.0711 0.0650 0.0661 -0.0120 0.0093 0.0013 268 THR A C 2020 O O . THR A 268 ? 0.0842 0.0667 0.0694 -0.0114 0.0188 -0.0025 268 THR A O 2021 C CB . THR A 268 ? 0.0826 0.0624 0.0746 -0.0073 0.0188 0.0049 268 THR A CB 2022 O OG1 . THR A 268 ? 0.0886 0.0676 0.0931 -0.0108 0.0165 0.0147 268 THR A OG1 2023 C CG2 . THR A 268 ? 0.0785 0.0756 0.0855 -0.0104 0.0202 0.0104 268 THR A CG2 2024 N N . LYS A 269 ? 0.0692 0.0588 0.0732 -0.0082 0.0178 -0.0018 269 LYS A N 2025 C CA . LYS A 269 ? 0.0655 0.0556 0.0802 -0.0056 0.0229 0.0005 269 LYS A CA 2026 C C . LYS A 269 ? 0.0676 0.0621 0.0689 -0.0067 0.0186 -0.0051 269 LYS A C 2027 O O . LYS A 269 ? 0.0775 0.0557 0.0960 -0.0052 0.0144 -0.0039 269 LYS A O 2028 C CB . LYS A 269 ? 0.0723 0.0713 0.0886 -0.0018 0.0191 0.0105 269 LYS A CB 2029 C CG . LYS A 269 ? 0.0861 0.0773 0.0854 -0.0068 0.0084 0.0078 269 LYS A CG 2030 C CD . LYS A 269 ? 0.0830 0.0850 0.0892 -0.0075 -0.0011 0.0053 269 LYS A CD 2031 C CE . LYS A 269 ? 0.0994 0.0911 0.0911 0.0028 0.0024 0.0071 269 LYS A CE 2032 N NZ . LYS A 269 ? 0.1069 0.0920 0.0913 0.0023 0.0042 0.0056 269 LYS A NZ 2033 N N . ILE A 270 ? 0.0655 0.0571 0.0790 -0.0038 0.0149 -0.0016 270 ILE A N 2034 C CA . ILE A 270 ? 0.0650 0.0518 0.0732 -0.0031 0.0152 0.0038 270 ILE A CA 2035 C C . ILE A 270 ? 0.0673 0.0525 0.0699 -0.0057 0.0095 -0.0010 270 ILE A C 2036 O O . ILE A 270 ? 0.0853 0.0656 0.0908 0.0126 0.0193 0.0139 270 ILE A O 2037 C CB . ILE A 270 ? 0.0817 0.0682 0.0763 -0.0096 0.0119 0.0016 270 ILE A CB 2038 C CG1 . ILE A 270 ? 0.1088 0.1016 0.0780 -0.0148 0.0159 0.0026 270 ILE A CG1 2039 C CG2 . ILE A 270 ? 0.0747 0.0819 0.1007 -0.0006 0.0012 0.0105 270 ILE A CG2 2040 C CD1 . ILE A 270 ? 0.1670 0.1220 0.0915 -0.0410 0.0042 -0.0023 270 ILE A CD1 2041 N N . SER A 271 ? 0.0720 0.0547 0.0722 -0.0038 0.0204 0.0093 271 SER A N 2042 C CA . SER A 271 ? 0.0706 0.0615 0.0665 -0.0010 0.0187 0.0073 271 SER A CA 2043 C C . SER A 271 ? 0.0745 0.0530 0.0695 -0.0040 0.0154 0.0031 271 SER A C 2044 O O . SER A 271 ? 0.0818 0.0640 0.0912 0.0018 0.0190 0.0182 271 SER A O 2045 C CB . SER A 271 ? 0.0769 0.0701 0.0808 -0.0151 0.0157 0.0041 271 SER A CB 2046 O OG . SER A 271 ? 0.0897 0.0924 0.0772 -0.0184 0.0158 -0.0045 271 SER A OG 2047 N N . THR A 272 ? 0.0675 0.0475 0.0640 0.0009 0.0125 0.0039 272 THR A N 2048 C CA . THR A 272 ? 0.0628 0.0551 0.0688 -0.0005 0.0100 0.0050 272 THR A CA 2049 C C . THR A 272 ? 0.0700 0.0503 0.0680 -0.0064 0.0091 0.0067 272 THR A C 2050 O O . THR A 272 ? 0.0753 0.0691 0.0715 -0.0050 0.0173 -0.0007 272 THR A O 2051 C CB . THR A 272 ? 0.0627 0.0566 0.0745 0.0009 0.0107 -0.0026 272 THR A CB 2052 O OG1 . THR A 272 ? 0.0790 0.0539 0.0697 0.0010 0.0138 0.0037 272 THR A OG1 2053 C CG2 . THR A 272 ? 0.0835 0.0746 0.0788 0.0068 -0.0034 -0.0040 272 THR A CG2 2054 N N . ILE A 273 ? 0.0727 0.0627 0.0647 0.0010 0.0065 0.0055 273 ILE A N 2055 C CA . ILE A 273 ? 0.0825 0.0703 0.0623 -0.0006 0.0112 0.0092 273 ILE A CA 2056 C C . ILE A 273 ? 0.0889 0.0749 0.0673 -0.0044 0.0069 -0.0006 273 ILE A C 2057 O O . ILE A 273 ? 0.1343 0.0819 0.0694 -0.0043 0.0198 -0.0017 273 ILE A O 2058 C CB . ILE A 273 ? 0.0986 0.0776 0.0681 -0.0022 0.0032 0.0116 273 ILE A CB 2059 C CG1 . ILE A 273 ? 0.0930 0.0865 0.0844 0.0032 -0.0038 0.0192 273 ILE A CG1 2060 C CG2 . ILE A 273 ? 0.1125 0.0753 0.0921 -0.0057 0.0040 0.0128 273 ILE A CG2 2061 C CD1 . ILE A 273 ? 0.1222 0.1002 0.1065 -0.0165 -0.0083 0.0169 273 ILE A CD1 2062 N N . ASN A 274 ? 0.0928 0.0629 0.0646 0.0003 0.0048 0.0008 274 ASN A N 2063 C CA . ASN A 274 ? 0.0978 0.0631 0.0738 0.0010 0.0050 -0.0010 274 ASN A CA 2064 C C . ASN A 274 ? 0.1005 0.0560 0.0690 -0.0052 0.0071 0.0017 274 ASN A C 2065 O O . ASN A 274 ? 0.1020 0.0753 0.0681 0.0055 0.0015 0.0004 274 ASN A O 2066 C CB . ASN A 274 ? 0.1000 0.0725 0.0750 -0.0119 -0.0015 0.0050 274 ASN A CB 2067 C CG . ASN A 274 ? 0.0981 0.0742 0.0936 -0.0088 0.0007 -0.0009 274 ASN A CG 2068 O OD1 . ASN A 274 ? 0.1473 0.1306 0.1326 0.0029 -0.0349 -0.0285 274 ASN A OD1 2069 N ND2 . ASN A 274 ? 0.0766 0.0734 0.0718 -0.0083 0.0051 -0.0002 274 ASN A ND2 2070 N N . PRO A 275 ? 0.0951 0.0655 0.0701 -0.0038 0.0062 -0.0024 275 PRO A N 2071 C CA A PRO A 275 ? 0.0924 0.0758 0.0804 -0.0069 0.0053 -0.0011 275 PRO A CA 2072 C CA B PRO A 275 ? 0.0928 0.0759 0.0843 -0.0070 0.0056 0.0003 275 PRO A CA 2073 C C . PRO A 275 ? 0.0847 0.0624 0.0724 0.0045 0.0042 -0.0140 275 PRO A C 2074 O O . PRO A 275 ? 0.0982 0.0721 0.0795 -0.0037 -0.0019 -0.0010 275 PRO A O 2075 C CB A PRO A 275 ? 0.1000 0.0853 0.0790 0.0012 0.0129 0.0027 275 PRO A CB 2076 C CB B PRO A 275 ? 0.0997 0.0916 0.0966 -0.0002 0.0236 0.0028 275 PRO A CB 2077 C CG A PRO A 275 ? 0.0946 0.0748 0.0680 0.0018 0.0202 -0.0127 275 PRO A CG 2078 C CG B PRO A 275 ? 0.1242 0.1268 0.0998 0.0060 0.0153 -0.0041 275 PRO A CG 2079 C CD A PRO A 275 ? 0.1002 0.0745 0.0733 -0.0041 0.0088 -0.0062 275 PRO A CD 2080 C CD B PRO A 275 ? 0.1185 0.0901 0.0708 0.0073 0.0090 -0.0081 275 PRO A CD 2081 N N . TYR A 276 ? 0.0883 0.0635 0.0748 0.0001 -0.0003 -0.0006 276 TYR A N 2082 C CA . TYR A 276 ? 0.0897 0.0663 0.0765 0.0000 0.0060 -0.0013 276 TYR A CA 2083 C C . TYR A 276 ? 0.0884 0.0656 0.0747 -0.0022 -0.0005 -0.0033 276 TYR A C 2084 O O . TYR A 276 ? 0.0910 0.1132 0.0894 0.0005 0.0051 0.0164 276 TYR A O 2085 C CB . TYR A 276 ? 0.1104 0.0619 0.0881 -0.0039 0.0197 0.0007 276 TYR A CB 2086 C CG . TYR A 276 ? 0.1110 0.0606 0.1028 0.0088 0.0194 -0.0008 276 TYR A CG 2087 C CD1 . TYR A 276 ? 0.1133 0.0675 0.1086 0.0081 0.0197 -0.0053 276 TYR A CD1 2088 C CD2 . TYR A 276 ? 0.1357 0.0754 0.1016 0.0202 0.0156 0.0063 276 TYR A CD2 2089 C CE1 . TYR A 276 ? 0.1090 0.0798 0.1568 0.0208 0.0185 0.0068 276 TYR A CE1 2090 C CE2 . TYR A 276 ? 0.1568 0.0928 0.1257 0.0227 0.0602 0.0138 276 TYR A CE2 2091 C CZ . TYR A 276 ? 0.1360 0.0857 0.1608 0.0257 0.0542 0.0174 276 TYR A CZ 2092 O OH . TYR A 276 ? 0.1579 0.1675 0.2323 0.0603 0.1028 0.0636 276 TYR A OH 2093 N N . THR A 277 ? 0.0845 0.0648 0.0774 0.0016 0.0048 0.0000 277 THR A N 2094 C CA . THR A 277 ? 0.0822 0.0587 0.0792 -0.0027 0.0087 0.0020 277 THR A CA 2095 C C . THR A 277 ? 0.0903 0.0620 0.0756 0.0040 0.0074 -0.0058 277 THR A C 2096 O O . THR A 277 ? 0.1076 0.0623 0.0967 0.0033 -0.0001 -0.0123 277 THR A O 2097 C CB . THR A 277 ? 0.0858 0.0598 0.0797 -0.0017 0.0049 0.0052 277 THR A CB 2098 O OG1 . THR A 277 ? 0.0957 0.0642 0.0775 -0.0019 0.0028 -0.0019 277 THR A OG1 2099 C CG2 . THR A 277 ? 0.1053 0.0893 0.0937 -0.0194 0.0250 0.0004 277 THR A CG2 2100 N N . VAL A 278 ? 0.0809 0.0565 0.0850 -0.0058 0.0039 -0.0106 278 VAL A N 2101 C CA . VAL A 278 ? 0.0841 0.0649 0.0887 -0.0093 0.0042 -0.0103 278 VAL A CA 2102 C C . VAL A 278 ? 0.0880 0.0633 0.0921 -0.0034 0.0044 -0.0095 278 VAL A C 2103 O O . VAL A 278 ? 0.0944 0.0695 0.1114 -0.0085 0.0198 -0.0190 278 VAL A O 2104 C CB . VAL A 278 ? 0.0915 0.0726 0.0946 -0.0021 -0.0031 -0.0024 278 VAL A CB 2105 C CG1 . VAL A 278 ? 0.1154 0.0901 0.0947 -0.0159 -0.0152 -0.0028 278 VAL A CG1 2106 C CG2 . VAL A 278 ? 0.1051 0.0990 0.0963 -0.0099 -0.0042 0.0164 278 VAL A CG2 2107 N N . LEU A 279 ? 0.0856 0.0728 0.0888 -0.0136 0.0104 -0.0164 279 LEU A N 2108 C CA . LEU A 279 ? 0.0850 0.0653 0.0992 -0.0136 0.0045 -0.0159 279 LEU A CA 2109 C C . LEU A 279 ? 0.0987 0.0762 0.0953 -0.0229 0.0109 -0.0099 279 LEU A C 2110 O O . LEU A 279 ? 0.1170 0.0809 0.1056 -0.0216 0.0062 -0.0191 279 LEU A O 2111 C CB . LEU A 279 ? 0.0841 0.0758 0.1069 -0.0165 0.0096 -0.0093 279 LEU A CB 2112 C CG . LEU A 279 ? 0.0873 0.0716 0.0997 -0.0122 0.0081 -0.0036 279 LEU A CG 2113 C CD1 . LEU A 279 ? 0.1124 0.0713 0.1153 -0.0041 -0.0006 -0.0041 279 LEU A CD1 2114 C CD2 . LEU A 279 ? 0.1032 0.0779 0.0981 -0.0089 0.0062 -0.0066 279 LEU A CD2 2115 N N . GLU A 280 ? 0.0952 0.0784 0.1009 -0.0139 -0.0058 -0.0175 280 GLU A N 2116 C CA . GLU A 280 ? 0.1073 0.0909 0.1135 -0.0185 -0.0122 -0.0143 280 GLU A CA 2117 C C . GLU A 280 ? 0.0883 0.0920 0.1103 -0.0250 -0.0070 -0.0167 280 GLU A C 2118 O O . GLU A 280 ? 0.1024 0.0824 0.1121 -0.0344 -0.0074 -0.0149 280 GLU A O 2119 C CB . GLU A 280 ? 0.1075 0.0961 0.1282 -0.0208 -0.0102 -0.0128 280 GLU A CB 2120 C CG . GLU A 280 ? 0.1080 0.1349 0.1349 -0.0172 -0.0096 -0.0087 280 GLU A CG 2121 C CD . GLU A 280 ? 0.1145 0.1494 0.1756 -0.0548 0.0073 -0.0217 280 GLU A CD 2122 O OE1 . GLU A 280 ? 0.2031 0.2028 0.2456 -0.1181 -0.0238 -0.0260 280 GLU A OE1 2123 O OE2 . GLU A 280 ? 0.1229 0.1101 0.2021 -0.0066 0.0262 0.0104 280 GLU A OE2 2124 N N . THR A 281 ? 0.0975 0.0986 0.1243 -0.0186 -0.0209 -0.0174 281 THR A N 2125 C CA . THR A 281 ? 0.1135 0.0964 0.1280 -0.0207 -0.0018 -0.0260 281 THR A CA 2126 C C . THR A 281 ? 0.1017 0.0932 0.1220 -0.0228 -0.0091 -0.0280 281 THR A C 2127 O O . THR A 281 ? 0.1115 0.0935 0.1306 -0.0275 -0.0106 -0.0255 281 THR A O 2128 C CB . THR A 281 ? 0.1430 0.1214 0.1430 -0.0339 -0.0154 -0.0321 281 THR A CB 2129 O OG1 . THR A 281 ? 0.1744 0.1492 0.1415 -0.0324 -0.0144 -0.0287 281 THR A OG1 2130 C CG2 . THR A 281 ? 0.2245 0.1320 0.1581 0.0023 -0.0434 -0.0567 281 THR A CG2 2131 N N . SER A 282 ? 0.1045 0.0912 0.1349 -0.0287 -0.0084 -0.0108 282 SER A N 2132 C CA . SER A 282 ? 0.1185 0.0993 0.1396 -0.0389 -0.0044 -0.0100 282 SER A CA 2133 C C . SER A 282 ? 0.0945 0.0796 0.1329 -0.0183 0.0081 -0.0127 282 SER A C 2134 O O . SER A 282 ? 0.1055 0.0829 0.1405 -0.0259 -0.0048 -0.0084 282 SER A O 2135 C CB . SER A 282 ? 0.1071 0.1041 0.1597 -0.0272 -0.0129 -0.0092 282 SER A CB 2136 O OG . SER A 282 ? 0.1074 0.1004 0.1716 -0.0240 -0.0028 -0.0030 282 SER A OG 2137 N N . ILE A 283 ? 0.0883 0.0769 0.1224 -0.0167 -0.0060 -0.0028 283 ILE A N 2138 C CA . ILE A 283 ? 0.0912 0.0754 0.1111 -0.0187 0.0065 -0.0034 283 ILE A CA 2139 C C . ILE A 283 ? 0.0891 0.0648 0.1196 -0.0255 0.0036 -0.0069 283 ILE A C 2140 O O . ILE A 283 ? 0.1010 0.0741 0.1202 -0.0075 0.0049 -0.0054 283 ILE A O 2141 C CB . ILE A 283 ? 0.0969 0.0748 0.1030 -0.0146 0.0078 -0.0010 283 ILE A CB 2142 C CG1 . ILE A 283 ? 0.0889 0.0855 0.1183 -0.0133 -0.0020 0.0010 283 ILE A CG1 2143 C CG2 . ILE A 283 ? 0.0909 0.0730 0.1078 -0.0110 0.0071 -0.0075 283 ILE A CG2 2144 C CD1 . ILE A 283 ? 0.1115 0.0837 0.1506 -0.0080 0.0097 0.0023 283 ILE A CD1 2145 N N . TYR A 284 ? 0.0932 0.0727 0.1122 -0.0141 -0.0010 -0.0161 284 TYR A N 2146 C CA . TYR A 284 ? 0.0956 0.0814 0.1215 -0.0154 0.0064 -0.0203 284 TYR A CA 2147 C C . TYR A 284 ? 0.0936 0.0853 0.1174 -0.0150 0.0102 -0.0160 284 TYR A C 2148 O O . TYR A 284 ? 0.1035 0.0812 0.1271 -0.0107 0.0034 -0.0182 284 TYR A O 2149 C CB . TYR A 284 ? 0.1176 0.0799 0.1160 -0.0143 0.0035 -0.0086 284 TYR A CB 2150 C CG . TYR A 284 ? 0.1279 0.0811 0.1332 -0.0015 0.0088 -0.0191 284 TYR A CG 2151 C CD1 . TYR A 284 ? 0.1234 0.1079 0.1186 -0.0111 0.0116 -0.0154 284 TYR A CD1 2152 C CD2 . TYR A 284 ? 0.1564 0.1202 0.1660 -0.0189 0.0273 -0.0593 284 TYR A CD2 2153 C CE1 . TYR A 284 ? 0.1507 0.1466 0.1545 0.0066 0.0305 -0.0270 284 TYR A CE1 2154 C CE2 . TYR A 284 ? 0.1907 0.1213 0.2212 -0.0093 0.0652 -0.0576 284 TYR A CE2 2155 C CZ . TYR A 284 ? 0.1623 0.1761 0.1944 0.0019 0.0545 -0.0642 284 TYR A CZ 2156 O OH . TYR A 284 ? 0.1950 0.2453 0.3080 0.0242 0.0858 -0.1112 284 TYR A OH 2157 N N . LYS A 285 ? 0.1061 0.0782 0.1244 -0.0209 -0.0010 -0.0121 285 LYS A N 2158 C CA . LYS A 285 ? 0.1184 0.0804 0.1393 -0.0174 0.0115 -0.0225 285 LYS A CA 2159 C C . LYS A 285 ? 0.1154 0.0667 0.1437 -0.0211 0.0037 -0.0147 285 LYS A C 2160 O O . LYS A 285 ? 0.1191 0.0803 0.1613 -0.0117 0.0095 -0.0099 285 LYS A O 2161 C CB . LYS A 285 ? 0.1331 0.0960 0.1473 -0.0262 -0.0034 -0.0209 285 LYS A CB 2162 C CG . LYS A 285 ? 0.1822 0.1161 0.2151 -0.0334 -0.0046 -0.0269 285 LYS A CG 2163 C CD . LYS A 285 ? 0.2141 0.1496 0.2846 -0.0443 -0.0213 -0.0329 285 LYS A CD 2164 C CE . LYS A 285 ? 0.2882 0.1694 0.3829 -0.0906 -0.0395 -0.0534 285 LYS A CE 2165 N NZ . LYS A 285 ? 0.3285 0.2552 0.4346 -0.0283 -0.0951 -0.1200 285 LYS A NZ 2166 N N . ALA A 286 ? 0.1058 0.0765 0.1428 -0.0143 0.0078 -0.0019 286 ALA A N 2167 C CA . ALA A 286 ? 0.1102 0.0986 0.1372 -0.0229 0.0170 -0.0141 286 ALA A CA 2168 C C . ALA A 286 ? 0.1135 0.0757 0.1335 -0.0135 0.0072 -0.0016 286 ALA A C 2169 O O . ALA A 286 ? 0.1198 0.0834 0.1334 -0.0136 0.0150 0.0035 286 ALA A O 2170 C CB . ALA A 286 ? 0.1024 0.1122 0.1472 -0.0140 0.0087 -0.0027 286 ALA A CB 2171 N N . VAL A 287 ? 0.0951 0.0841 0.1268 -0.0127 0.0109 -0.0026 287 VAL A N 2172 C CA . VAL A 287 ? 0.1051 0.0792 0.1152 -0.0144 -0.0004 -0.0073 287 VAL A CA 2173 C C . VAL A 287 ? 0.1006 0.0700 0.1311 -0.0091 0.0018 -0.0113 287 VAL A C 2174 O O . VAL A 287 ? 0.1153 0.0721 0.1427 -0.0109 -0.0060 -0.0066 287 VAL A O 2175 C CB . VAL A 287 ? 0.1051 0.0819 0.1174 -0.0101 0.0015 -0.0095 287 VAL A CB 2176 C CG1 . VAL A 287 ? 0.1048 0.0922 0.1439 -0.0115 -0.0095 -0.0059 287 VAL A CG1 2177 C CG2 . VAL A 287 ? 0.1211 0.0817 0.1334 -0.0117 0.0116 -0.0170 287 VAL A CG2 2178 N N . THR A 288 ? 0.1096 0.0858 0.1307 -0.0033 0.0033 -0.0198 288 THR A N 2179 C CA . THR A 288 ? 0.1089 0.0967 0.1415 0.0014 0.0163 -0.0187 288 THR A CA 2180 C C . THR A 288 ? 0.1115 0.0873 0.1434 0.0027 0.0067 -0.0272 288 THR A C 2181 O O . THR A 288 ? 0.1170 0.1015 0.1438 0.0103 0.0060 -0.0143 288 THR A O 2182 C CB . THR A 288 ? 0.1186 0.1060 0.1411 0.0043 0.0246 -0.0164 288 THR A CB 2183 O OG1 . THR A 288 ? 0.1263 0.0993 0.1430 -0.0081 0.0161 -0.0222 288 THR A OG1 2184 C CG2 . THR A 288 ? 0.1295 0.1175 0.1620 -0.0113 0.0114 0.0064 288 THR A CG2 2185 N N . GLU A 289 ? 0.1135 0.0772 0.1467 0.0024 0.0024 -0.0172 289 GLU A N 2186 C CA . GLU A 289 ? 0.1222 0.0768 0.1634 -0.0031 0.0058 -0.0281 289 GLU A CA 2187 C C . GLU A 289 ? 0.1314 0.0823 0.1615 -0.0072 0.0072 -0.0177 289 GLU A C 2188 O O . GLU A 289 ? 0.1368 0.0825 0.1675 -0.0067 0.0123 -0.0073 289 GLU A O 2189 C CB . GLU A 289 ? 0.1335 0.0839 0.1909 -0.0107 -0.0036 -0.0098 289 GLU A CB 2190 C CG . GLU A 289 ? 0.1712 0.1036 0.2104 -0.0081 -0.0299 -0.0343 289 GLU A CG 2191 C CD . GLU A 289 ? 0.2216 0.1975 0.3184 -0.0346 -0.0601 -0.0476 289 GLU A CD 2192 O OE1 . GLU A 289 ? 0.1998 0.3137 0.4073 -0.0799 -0.0177 -0.0154 289 GLU A OE1 2193 O OE2 . GLU A 289 ? 0.3125 0.2854 0.3945 -0.0186 -0.1206 -0.1149 289 GLU A OE2 2194 N N . ALA A 290 ? 0.1214 0.0765 0.1580 -0.0162 0.0212 -0.0057 290 ALA A N 2195 C CA . ALA A 290 ? 0.1297 0.0870 0.1445 -0.0096 0.0279 0.0034 290 ALA A CA 2196 C C . ALA A 290 ? 0.1362 0.0825 0.1379 -0.0136 0.0172 0.0033 290 ALA A C 2197 O O . ALA A 290 ? 0.1434 0.0943 0.1403 -0.0165 0.0185 0.0046 290 ALA A O 2198 C CB . ALA A 290 ? 0.1272 0.1124 0.1677 -0.0110 0.0332 -0.0139 290 ALA A CB 2199 N N . PHE A 291 ? 0.1171 0.0770 0.1282 -0.0036 0.0134 -0.0049 291 PHE A N 2200 C CA . PHE A 291 ? 0.1068 0.0816 0.1232 -0.0062 -0.0010 -0.0033 291 PHE A CA 2201 C C . PHE A 291 ? 0.1103 0.0809 0.1270 -0.0115 0.0139 0.0059 291 PHE A C 2202 O O . PHE A 291 ? 0.1224 0.0834 0.1370 -0.0037 0.0068 0.0018 291 PHE A O 2203 C CB . PHE A 291 ? 0.1156 0.0874 0.1235 -0.0034 0.0016 0.0028 291 PHE A CB 2204 C CG . PHE A 291 ? 0.1201 0.0807 0.1137 -0.0083 0.0096 -0.0008 291 PHE A CG 2205 C CD1 . PHE A 291 ? 0.1266 0.1058 0.1184 -0.0236 0.0043 -0.0074 291 PHE A CD1 2206 C CD2 . PHE A 291 ? 0.1193 0.0994 0.1171 -0.0011 0.0141 0.0008 291 PHE A CD2 2207 C CE1 . PHE A 291 ? 0.1391 0.1290 0.1397 -0.0346 -0.0195 0.0016 291 PHE A CE1 2208 C CE2 . PHE A 291 ? 0.1108 0.1386 0.1482 -0.0020 0.0177 0.0319 291 PHE A CE2 2209 C CZ . PHE A 291 ? 0.1151 0.1582 0.1464 -0.0144 -0.0198 0.0339 291 PHE A CZ 2210 N N . ILE A 292 ? 0.1185 0.0849 0.1268 0.0048 0.0122 -0.0021 292 ILE A N 2211 C CA . ILE A 292 ? 0.1272 0.0820 0.1270 0.0000 0.0112 -0.0030 292 ILE A CA 2212 C C . ILE A 292 ? 0.1367 0.0858 0.1312 -0.0046 0.0131 -0.0138 292 ILE A C 2213 O O . ILE A 292 ? 0.1476 0.0766 0.1489 0.0028 0.0156 0.0056 292 ILE A O 2214 C CB . ILE A 292 ? 0.1224 0.0920 0.1420 -0.0060 0.0046 -0.0103 292 ILE A CB 2215 C CG1 . ILE A 292 ? 0.1275 0.1020 0.1335 0.0013 0.0152 -0.0182 292 ILE A CG1 2216 C CG2 . ILE A 292 ? 0.1503 0.0909 0.1578 0.0042 0.0046 -0.0112 292 ILE A CG2 2217 C CD1 . ILE A 292 ? 0.1538 0.1313 0.1422 -0.0091 -0.0029 -0.0246 292 ILE A CD1 2218 N N . LYS A 293 ? 0.1366 0.0859 0.1467 0.0012 0.0158 0.0032 293 LYS A N 2219 C CA . LYS A 293 ? 0.1635 0.0844 0.1437 -0.0165 0.0206 -0.0034 293 LYS A CA 2220 C C . LYS A 293 ? 0.1380 0.0905 0.1461 -0.0123 0.0253 0.0188 293 LYS A C 2221 O O . LYS A 293 ? 0.1782 0.0966 0.1602 -0.0054 0.0096 0.0217 293 LYS A O 2222 C CB . LYS A 293 ? 0.1503 0.1287 0.1636 -0.0231 0.0193 0.0015 293 LYS A CB 2223 C CG . LYS A 293 ? 0.2233 0.1663 0.2084 -0.0304 0.0319 0.0354 293 LYS A CG 2224 C CD . LYS A 293 ? 0.2573 0.2401 0.2939 -0.0736 0.0993 0.0225 293 LYS A CD 2225 C CE . LYS A 293 ? 0.2921 0.4049 0.3438 -0.0464 0.1004 0.0866 293 LYS A CE 2226 N NZ . LYS A 293 ? 0.4625 0.4535 0.5253 -0.1476 0.0382 0.0012 293 LYS A NZ 2227 N N . GLU A 294 ? 0.1514 0.0960 0.1402 -0.0106 0.0184 0.0138 294 GLU A N 2228 C CA . GLU A 294 ? 0.1682 0.0922 0.1253 -0.0129 0.0156 0.0177 294 GLU A CA 2229 C C . GLU A 294 ? 0.1659 0.1062 0.1195 -0.0002 0.0094 0.0048 294 GLU A C 2230 O O . GLU A 294 ? 0.1840 0.1315 0.1405 0.0010 -0.0039 0.0268 294 GLU A O 2231 C CB . GLU A 294 ? 0.1658 0.1158 0.1291 -0.0030 0.0161 0.0076 294 GLU A CB 2232 C CG . GLU A 294 ? 0.1720 0.1386 0.1510 -0.0108 0.0152 0.0041 294 GLU A CG 2233 C CD . GLU A 294 ? 0.2160 0.1998 0.1775 -0.0065 0.0577 0.0276 294 GLU A CD 2234 O OE1 . GLU A 294 ? 0.2894 0.2061 0.1832 0.0283 0.0251 0.0489 294 GLU A OE1 2235 O OE2 . GLU A 294 ? 0.2958 0.4511 0.2955 -0.0947 0.0498 0.1343 294 GLU A OE2 2236 N N . SER A 295 ? 0.1419 0.0889 0.1371 0.0026 0.0062 0.0200 295 SER A N 2237 C CA . SER A 295 ? 0.1301 0.1050 0.1403 0.0025 0.0008 0.0192 295 SER A CA 2238 C C . SER A 295 ? 0.1518 0.1088 0.1453 0.0137 0.0200 0.0142 295 SER A C 2239 O O . SER A 295 ? 0.1628 0.1197 0.1512 0.0198 0.0045 0.0165 295 SER A O 2240 C CB . SER A 295 ? 0.1308 0.0991 0.1419 0.0187 0.0000 0.0222 295 SER A CB 2241 O OG . SER A 295 ? 0.1320 0.0971 0.1452 -0.0003 0.0029 0.0239 295 SER A OG 2242 N N . ALA A 296 ? 0.1736 0.1001 0.1411 0.0080 0.0039 0.0209 296 ALA A N 2243 C CA . ALA A 296 ? 0.1705 0.1000 0.1713 0.0144 0.0136 0.0279 296 ALA A CA 2244 C C . ALA A 296 ? 0.1986 0.1016 0.1699 0.0134 0.0079 0.0284 296 ALA A C 2245 O O . ALA A 296 ? 0.2180 0.1093 0.2145 0.0188 -0.0005 0.0368 296 ALA A O 2246 C CB . ALA A 296 ? 0.1789 0.0997 0.1881 -0.0037 0.0122 0.0061 296 ALA A CB 2247 N N . ALA A 297 ? 0.1871 0.1169 0.1611 0.0064 0.0072 0.0315 297 ALA A N 2248 C CA . ALA A 297 ? 0.2279 0.1510 0.1665 0.0219 0.0246 0.0617 297 ALA A CA 2249 C C . ALA A 297 ? 0.2435 0.1672 0.1558 0.0191 0.0260 0.0419 297 ALA A C 2250 O O . ALA A 297 ? 0.2623 0.2234 0.2078 -0.0004 -0.0022 0.0937 297 ALA A O 2251 C CB . ALA A 297 ? 0.2527 0.1606 0.1597 0.0054 0.0129 0.0423 297 ALA A CB 2252 N N . ARG A 298 ? 0.2114 0.1466 0.1596 0.0042 -0.0047 0.0274 298 ARG A N 2253 C CA . ARG A 298 ? 0.2183 0.1548 0.1598 0.0114 -0.0223 0.0035 298 ARG A CA 2254 C C . ARG A 298 ? 0.2145 0.1366 0.1598 0.0265 -0.0174 0.0191 298 ARG A C 2255 O O . ARG A 298 ? 0.2100 0.1635 0.1894 0.0291 -0.0064 0.0223 298 ARG A O 2256 C CB . ARG A 298 ? 0.2170 0.1612 0.1998 0.0012 -0.0031 0.0087 298 ARG A CB 2257 C CG . ARG A 298 ? 0.2490 0.1630 0.1937 0.0222 -0.0014 0.0101 298 ARG A CG 2258 C CD . ARG A 298 ? 0.2825 0.1701 0.2215 0.0304 0.0255 -0.0064 298 ARG A CD 2259 N NE . ARG A 298 ? 0.2626 0.1991 0.2300 0.0219 0.0047 -0.0350 298 ARG A NE 2260 C CZ . ARG A 298 ? 0.3261 0.1663 0.2050 0.0574 -0.0020 -0.0019 298 ARG A CZ 2261 N NH1 . ARG A 298 ? 0.3326 0.1791 0.2430 0.0496 -0.0054 -0.0056 298 ARG A NH1 2262 N NH2 . ARG A 298 ? 0.3916 0.1687 0.2193 0.0875 0.0449 0.0117 298 ARG A NH2 2263 N N . ASN A 299 ? 0.2015 0.1262 0.1596 0.0105 0.0055 0.0330 299 ASN A N 2264 C CA . ASN A 299 ? 0.2025 0.1145 0.1788 0.0138 -0.0093 0.0090 299 ASN A CA 2265 C C . ASN A 299 ? 0.1880 0.0957 0.1905 0.0250 0.0043 0.0147 299 ASN A C 2266 O O . ASN A 299 ? 0.1894 0.1261 0.2114 0.0371 0.0153 0.0238 299 ASN A O 2267 C CB . ASN A 299 ? 0.2128 0.1575 0.2178 0.0321 -0.0071 0.0150 299 ASN A CB 2268 C CG . ASN A 299 ? 0.2699 0.1414 0.2463 0.0158 0.0131 0.0207 299 ASN A CG 2269 O OD1 . ASN A 299 ? 0.4003 0.2619 0.2491 -0.0157 -0.0877 0.0944 299 ASN A OD1 2270 N ND2 . ASN A 299 ? 0.3738 0.2089 0.2517 -0.0957 0.0797 0.0017 299 ASN A ND2 2271 N N . ILE A 300 ? 0.1550 0.1116 0.1560 0.0143 0.0120 0.0024 300 ILE A N 2272 C CA . ILE A 300 ? 0.1323 0.1080 0.1620 0.0135 0.0020 0.0109 300 ILE A CA 2273 C C . ILE A 300 ? 0.1344 0.1205 0.1611 0.0211 0.0117 0.0085 300 ILE A C 2274 O O . ILE A 300 ? 0.1366 0.1393 0.1674 0.0237 0.0052 -0.0189 300 ILE A O 2275 C CB . ILE A 300 ? 0.1476 0.1130 0.1565 0.0230 0.0063 0.0074 300 ILE A CB 2276 C CG1 . ILE A 300 ? 0.1558 0.1104 0.1561 0.0007 0.0093 0.0003 300 ILE A CG1 2277 C CG2 . ILE A 300 ? 0.1627 0.1210 0.1488 0.0152 0.0072 0.0055 300 ILE A CG2 2278 C CD1 . ILE A 300 ? 0.2083 0.1375 0.1708 -0.0009 0.0035 -0.0359 300 ILE A CD1 2279 N N . THR A 301 ? 0.1224 0.1075 0.1656 0.0206 0.0077 -0.0033 301 THR A N 2280 C CA . THR A 301 ? 0.1352 0.0778 0.1728 0.0050 0.0186 -0.0095 301 THR A CA 2281 C C . THR A 301 ? 0.1333 0.0688 0.1464 0.0041 0.0111 -0.0244 301 THR A C 2282 O O . THR A 301 ? 0.1399 0.0799 0.1577 -0.0026 0.0087 -0.0150 301 THR A O 2283 C CB . THR A 301 ? 0.1332 0.0765 0.2264 0.0174 0.0009 -0.0151 301 THR A CB 2284 O OG1 . THR A 301 ? 0.2218 0.1063 0.2663 0.0356 -0.0238 0.0000 301 THR A OG1 2285 C CG2 . THR A 301 ? 0.1758 0.0990 0.2574 0.0304 -0.0076 -0.0620 301 THR A CG2 2286 N N . ARG A 302 ? 0.1314 0.0689 0.1399 0.0024 0.0133 -0.0167 302 ARG A N 2287 C CA . ARG A 302 ? 0.1268 0.0681 0.1366 0.0054 0.0196 -0.0188 302 ARG A CA 2288 C C . ARG A 302 ? 0.1240 0.0683 0.1399 0.0036 0.0155 -0.0253 302 ARG A C 2289 O O . ARG A 302 ? 0.1525 0.0603 0.1618 0.0084 0.0241 -0.0261 302 ARG A O 2290 C CB . ARG A 302 ? 0.1232 0.0889 0.1371 0.0045 0.0188 -0.0078 302 ARG A CB 2291 C CG . ARG A 302 ? 0.1327 0.0995 0.1412 0.0067 0.0104 -0.0183 302 ARG A CG 2292 C CD . ARG A 302 ? 0.1433 0.1169 0.1501 0.0065 0.0110 -0.0292 302 ARG A CD 2293 N NE . ARG A 302 ? 0.1465 0.1072 0.1681 0.0024 0.0030 -0.0311 302 ARG A NE 2294 C CZ . ARG A 302 ? 0.1379 0.1263 0.1970 -0.0040 -0.0036 -0.0358 302 ARG A CZ 2295 N NH1 . ARG A 302 ? 0.1414 0.1333 0.2382 -0.0080 -0.0019 -0.0242 302 ARG A NH1 2296 N NH2 . ARG A 302 ? 0.1483 0.1318 0.2474 0.0007 -0.0333 -0.0273 302 ARG A NH2 2297 N N . VAL A 303 ? 0.1290 0.0682 0.1379 0.0131 0.0168 -0.0212 303 VAL A N 2298 C CA . VAL A 303 ? 0.1435 0.0726 0.1240 0.0158 0.0132 -0.0363 303 VAL A CA 2299 C C . VAL A 303 ? 0.1512 0.0785 0.1396 0.0246 0.0133 -0.0335 303 VAL A C 2300 O O . VAL A 303 ? 0.1652 0.0791 0.1613 0.0409 0.0091 -0.0324 303 VAL A O 2301 C CB . VAL A 303 ? 0.1392 0.0845 0.1315 0.0048 0.0183 -0.0377 303 VAL A CB 2302 C CG1 . VAL A 303 ? 0.1471 0.0922 0.1414 0.0065 0.0163 -0.0198 303 VAL A CG1 2303 C CG2 . VAL A 303 ? 0.1649 0.0840 0.1481 0.0034 0.0247 -0.0355 303 VAL A CG2 2304 N N . ALA A 304 ? 0.1957 0.0823 0.1400 0.0492 0.0140 -0.0283 304 ALA A N 2305 C CA . ALA A 304 ? 0.2078 0.0922 0.1682 0.0544 -0.0206 -0.0407 304 ALA A CA 2306 C C . ALA A 304 ? 0.1738 0.1115 0.1396 0.0399 -0.0034 -0.0381 304 ALA A C 2307 O O . ALA A 304 ? 0.1680 0.1066 0.1544 0.0413 0.0050 -0.0190 304 ALA A O 2308 C CB . ALA A 304 ? 0.3119 0.1233 0.1575 0.0815 -0.0199 -0.0527 304 ALA A CB 2309 N N . SER A 305 ? 0.1918 0.0839 0.1723 0.0317 -0.0204 -0.0377 305 SER A N 2310 C CA . SER A 305 ? 0.1767 0.0968 0.1639 0.0371 -0.0093 -0.0484 305 SER A CA 2311 C C . SER A 305 ? 0.1846 0.1078 0.1523 0.0420 -0.0063 -0.0421 305 SER A C 2312 O O . SER A 305 ? 0.2684 0.1350 0.1639 0.0183 -0.0013 -0.0587 305 SER A O 2313 C CB . SER A 305 ? 0.1899 0.1323 0.1883 0.0423 0.0032 -0.0387 305 SER A CB 2314 O OG . SER A 305 ? 0.2092 0.1212 0.2162 0.0345 0.0067 -0.0263 305 SER A OG 2315 N N . VAL A 306 ? 0.2069 0.0990 0.1444 0.0302 0.0067 -0.0453 306 VAL A N 2316 C CA . VAL A 306 ? 0.2126 0.1114 0.1417 0.0307 0.0144 -0.0453 306 VAL A CA 2317 C C . VAL A 306 ? 0.2061 0.1172 0.1310 0.0373 0.0220 -0.0164 306 VAL A C 2318 O O . VAL A 306 ? 0.1844 0.1036 0.1317 0.0248 0.0000 -0.0228 306 VAL A O 2319 C CB . VAL A 306 ? 0.1989 0.1247 0.1547 0.0274 0.0223 -0.0284 306 VAL A CB 2320 C CG1 . VAL A 306 ? 0.1985 0.1644 0.1966 0.0169 0.0480 -0.0090 306 VAL A CG1 2321 C CG2 . VAL A 306 ? 0.2055 0.1496 0.2215 0.0478 0.0186 -0.0194 306 VAL A CG2 2322 N N . ALA A 307 ? 0.2544 0.1413 0.1433 0.0432 -0.0091 -0.0435 307 ALA A N 2323 C CA . ALA A 307 ? 0.2132 0.1507 0.1350 0.0336 -0.0120 -0.0251 307 ALA A CA 2324 C C . ALA A 307 ? 0.2018 0.1482 0.1390 0.0321 0.0075 0.0039 307 ALA A C 2325 O O . ALA A 307 ? 0.2261 0.1588 0.1860 0.0306 0.0459 0.0297 307 ALA A O 2326 C CB . ALA A 307 ? 0.3495 0.2360 0.1388 0.0826 -0.0282 -0.0260 307 ALA A CB 2327 N N . PRO A 308 ? 0.1966 0.1315 0.1311 0.0121 0.0070 -0.0036 308 PRO A N 2328 C CA . PRO A 308 ? 0.1941 0.1331 0.1244 0.0177 0.0046 -0.0180 308 PRO A CA 2329 C C . PRO A 308 ? 0.1669 0.0924 0.1267 0.0007 -0.0181 -0.0156 308 PRO A C 2330 O O . PRO A 308 ? 0.1716 0.1304 0.1499 0.0231 -0.0193 -0.0016 308 PRO A O 2331 C CB . PRO A 308 ? 0.2068 0.1181 0.1426 0.0298 0.0218 0.0109 308 PRO A CB 2332 C CG . PRO A 308 ? 0.2277 0.1182 0.1546 0.0046 -0.0042 -0.0023 308 PRO A CG 2333 C CD . PRO A 308 ? 0.2180 0.1289 0.1470 -0.0040 -0.0042 0.0143 308 PRO A CD 2334 N N . PHE A 309 ? 0.1697 0.1002 0.1364 0.0194 -0.0003 -0.0203 309 PHE A N 2335 C CA . PHE A 309 ? 0.1676 0.0818 0.1354 0.0222 -0.0098 -0.0184 309 PHE A CA 2336 C C . PHE A 309 ? 0.1489 0.0838 0.1576 0.0319 -0.0111 -0.0352 309 PHE A C 2337 O O . PHE A 309 ? 0.2340 0.1203 0.1745 0.0086 0.0009 -0.0443 309 PHE A O 2338 C CB . PHE A 309 ? 0.1504 0.0764 0.1342 0.0096 0.0021 -0.0101 309 PHE A CB 2339 C CG . PHE A 309 ? 0.1911 0.0664 0.1255 0.0055 -0.0154 -0.0117 309 PHE A CG 2340 C CD1 . PHE A 309 ? 0.2209 0.0811 0.1348 0.0201 -0.0188 -0.0037 309 PHE A CD1 2341 C CD2 . PHE A 309 ? 0.1940 0.0940 0.1519 -0.0142 -0.0145 0.0018 309 PHE A CD2 2342 C CE1 . PHE A 309 ? 0.2699 0.0735 0.1521 0.0130 -0.0547 -0.0107 309 PHE A CE1 2343 C CE2 . PHE A 309 ? 0.2119 0.1285 0.1744 -0.0471 -0.0246 0.0271 309 PHE A CE2 2344 C CZ . PHE A 309 ? 0.2722 0.0880 0.1521 -0.0424 -0.0597 0.0128 309 PHE A CZ 2345 N N . GLY A 310 ? 0.1525 0.0831 0.1906 0.0125 0.0059 -0.0468 310 GLY A N 2346 C CA . GLY A 310 ? 0.1556 0.0968 0.2154 0.0078 -0.0141 -0.0316 310 GLY A CA 2347 C C . GLY A 310 ? 0.1405 0.0752 0.2270 0.0130 -0.0133 -0.0408 310 GLY A C 2348 O O . GLY A 310 ? 0.1790 0.0947 0.2865 -0.0195 -0.0568 -0.0166 310 GLY A O 2349 N N . ALA A 311 ? 0.1359 0.0811 0.1881 0.0119 0.0041 -0.0357 311 ALA A N 2350 C CA . ALA A 311 ? 0.1368 0.0674 0.1921 0.0080 -0.0026 -0.0334 311 ALA A CA 2351 C C . ALA A 311 ? 0.1307 0.0642 0.1751 0.0036 0.0049 -0.0344 311 ALA A C 2352 O O . ALA A 311 ? 0.1308 0.0705 0.2001 0.0021 0.0084 -0.0557 311 ALA A O 2353 C CB . ALA A 311 ? 0.1366 0.1013 0.2089 0.0054 0.0179 -0.0197 311 ALA A CB 2354 N N . CYS A 312 ? 0.1258 0.0632 0.1592 -0.0021 0.0008 -0.0380 312 CYS A N 2355 C CA . CYS A 312 ? 0.1265 0.0563 0.1487 -0.0048 0.0228 -0.0280 312 CYS A CA 2356 C C . CYS A 312 ? 0.1174 0.0634 0.1391 0.0056 0.0179 -0.0350 312 CYS A C 2357 O O . CYS A 312 ? 0.1241 0.0609 0.1442 0.0049 0.0112 -0.0242 312 CYS A O 2358 C CB . CYS A 312 ? 0.1550 0.0834 0.1436 0.0011 0.0189 -0.0192 312 CYS A CB 2359 S SG . CYS A 312 ? 0.2649 0.0812 0.1464 0.0237 0.0006 -0.0233 312 CYS A SG 2360 N N . PHE A 313 ? 0.1208 0.0647 0.1307 0.0027 0.0210 -0.0277 313 PHE A N 2361 C CA . PHE A 313 ? 0.1169 0.0761 0.1280 -0.0020 0.0097 -0.0167 313 PHE A CA 2362 C C . PHE A 313 ? 0.1240 0.0765 0.1487 0.0017 0.0180 -0.0272 313 PHE A C 2363 O O . PHE A 313 ? 0.1189 0.0790 0.1693 0.0057 0.0228 -0.0247 313 PHE A O 2364 C CB . PHE A 313 ? 0.1343 0.0854 0.1272 0.0127 0.0236 -0.0118 313 PHE A CB 2365 C CG . PHE A 313 ? 0.1170 0.0787 0.1331 0.0019 0.0083 -0.0190 313 PHE A CG 2366 C CD1 . PHE A 313 ? 0.1276 0.0754 0.1255 0.0073 0.0209 -0.0178 313 PHE A CD1 2367 C CD2 . PHE A 313 ? 0.1336 0.0782 0.1381 0.0009 0.0249 -0.0217 313 PHE A CD2 2368 C CE1 . PHE A 313 ? 0.1324 0.0755 0.1517 -0.0052 0.0123 -0.0121 313 PHE A CE1 2369 C CE2 . PHE A 313 ? 0.1326 0.0753 0.1523 0.0092 0.0201 -0.0244 313 PHE A CE2 2370 C CZ . PHE A 313 ? 0.1241 0.0930 0.1485 0.0128 0.0249 -0.0192 313 PHE A CZ 2371 N N . SER A 314 ? 0.1324 0.0795 0.1529 0.0034 0.0132 -0.0239 314 SER A N 2372 C CA . SER A 314 ? 0.1263 0.0989 0.1488 0.0263 0.0110 -0.0195 314 SER A CA 2373 C C . SER A 314 ? 0.1159 0.1001 0.1675 0.0270 0.0100 -0.0201 314 SER A C 2374 O O . SER A 314 ? 0.1353 0.1045 0.1617 0.0109 0.0106 -0.0243 314 SER A O 2375 C CB . SER A 314 ? 0.1472 0.1026 0.2101 0.0274 0.0009 -0.0448 314 SER A CB 2376 O OG . SER A 314 ? 0.1576 0.1203 0.2668 0.0427 -0.0133 -0.0340 314 SER A OG 2377 N N . THR A 315 ? 0.1235 0.1151 0.1774 0.0114 0.0115 -0.0393 315 THR A N 2378 C CA . THR A 315 ? 0.1370 0.1091 0.1855 0.0138 0.0073 -0.0317 315 THR A CA 2379 C C . THR A 315 ? 0.1393 0.1182 0.1968 0.0196 0.0020 -0.0241 315 THR A C 2380 O O . THR A 315 ? 0.1771 0.1490 0.1940 0.0153 -0.0108 -0.0248 315 THR A O 2381 C CB . THR A 315 ? 0.1372 0.1279 0.1928 0.0103 -0.0067 -0.0292 315 THR A CB 2382 O OG1 . THR A 315 ? 0.1353 0.1381 0.2227 0.0099 0.0183 -0.0345 315 THR A OG1 2383 C CG2 . THR A 315 ? 0.1493 0.1275 0.2163 0.0193 0.0013 -0.0185 315 THR A CG2 2384 N N . ASP A 316 ? 0.1520 0.1159 0.2163 0.0342 0.0049 -0.0291 316 ASP A N 2385 C CA . ASP A 316 ? 0.1638 0.1385 0.2132 0.0472 -0.0081 -0.0247 316 ASP A CA 2386 C C . ASP A 316 ? 0.1581 0.1264 0.2207 0.0373 -0.0109 -0.0076 316 ASP A C 2387 O O . ASP A 316 ? 0.1801 0.1877 0.2706 0.0266 -0.0589 -0.0103 316 ASP A O 2388 C CB . ASP A 316 ? 0.1962 0.1186 0.2217 0.0565 -0.0083 -0.0170 316 ASP A CB 2389 C CG . ASP A 316 ? 0.1862 0.1558 0.2132 0.0348 0.0051 -0.0278 316 ASP A CG 2390 O OD1 . ASP A 316 ? 0.2462 0.1938 0.2614 0.0151 0.0400 -0.0362 316 ASP A OD1 2391 O OD2 . ASP A 316 ? 0.2314 0.1541 0.2986 0.0464 -0.0254 -0.0672 316 ASP A OD2 2392 N N . ASN A 317 ? 0.1663 0.1130 0.1994 0.0276 -0.0222 -0.0047 317 ASN A N 2393 C CA . ASN A 317 ? 0.1725 0.1395 0.2006 0.0135 -0.0264 0.0071 317 ASN A CA 2394 C C . ASN A 317 ? 0.2065 0.1624 0.1916 -0.0016 -0.0076 -0.0111 317 ASN A C 2395 O O . ASN A 317 ? 0.3262 0.1670 0.1868 -0.0089 0.0037 -0.0004 317 ASN A O 2396 C CB . ASN A 317 ? 0.1967 0.1529 0.1966 0.0049 -0.0159 0.0145 317 ASN A CB 2397 C CG . ASN A 317 ? 0.1840 0.1513 0.2354 0.0267 -0.0398 0.0248 317 ASN A CG 2398 O OD1 . ASN A 317 ? 0.1932 0.1694 0.4008 0.0390 -0.0576 -0.0043 317 ASN A OD1 2399 N ND2 . ASN A 317 ? 0.1920 0.1527 0.3020 0.0117 -0.0262 0.0047 317 ASN A ND2 2400 N N . ILE A 318 ? 0.1777 0.1359 0.1695 0.0139 -0.0222 -0.0225 318 ILE A N 2401 C CA . ILE A 318 ? 0.1783 0.1353 0.1803 0.0181 -0.0216 -0.0180 318 ILE A CA 2402 C C . ILE A 318 ? 0.1807 0.1622 0.2220 0.0233 -0.0219 -0.0288 318 ILE A C 2403 O O . ILE A 318 ? 0.1986 0.2489 0.2630 0.0042 0.0002 -0.0389 318 ILE A O 2404 C CB . ILE A 318 ? 0.1704 0.1114 0.1746 0.0072 -0.0046 -0.0192 318 ILE A CB 2405 C CG1 . ILE A 318 ? 0.1702 0.1285 0.1962 0.0101 0.0004 -0.0030 318 ILE A CG1 2406 C CG2 . ILE A 318 ? 0.2365 0.1193 0.2150 0.0193 -0.0310 -0.0302 318 ILE A CG2 2407 C CD1 . ILE A 318 ? 0.2206 0.1414 0.1749 0.0408 0.0095 -0.0100 318 ILE A CD1 2408 N N . LEU A 319 ? 0.1862 0.1943 0.2476 0.0746 -0.0674 -0.0577 319 LEU A N 2409 C CA . LEU A 319 ? 0.2120 0.1789 0.2710 0.0825 -0.1025 -0.0586 319 LEU A CA 2410 C C . LEU A 319 ? 0.1760 0.1880 0.3093 0.0703 -0.0749 -0.0737 319 LEU A C 2411 O O . LEU A 319 ? 0.1881 0.1761 0.2933 0.0812 -0.0561 -0.0322 319 LEU A O 2412 C CB . LEU A 319 ? 0.3309 0.2891 0.2774 0.0786 -0.0899 -0.0441 319 LEU A CB 2413 C CG . LEU A 319 ? 0.4385 0.3301 0.3729 0.0745 -0.0614 0.0278 319 LEU A CG 2414 C CD1 . LEU A 319 ? 0.5428 0.3985 0.3792 0.0909 -0.1074 0.0472 319 LEU A CD1 2415 C CD2 . LEU A 319 ? 0.3811 0.4287 0.4750 0.0839 -0.0607 0.0566 319 LEU A CD2 2416 N N . SER A 320 ? 0.1867 0.2228 0.3960 0.0562 -0.1145 -0.1094 320 SER A N 2417 C CA . SER A 320 ? 0.1494 0.2427 0.3598 0.0437 -0.0524 -0.0968 320 SER A CA 2418 C C . SER A 320 ? 0.2092 0.2120 0.3328 0.0896 -0.0964 -0.0580 320 SER A C 2419 O O . SER A 320 ? 0.2762 0.2282 0.4511 0.1013 -0.1793 -0.0325 320 SER A O 2420 C CB . SER A 320 ? 0.2294 0.3363 0.4123 -0.0048 -0.0249 -0.0571 320 SER A CB 2421 O OG . SER A 320 ? 0.4966 0.4296 0.3927 0.0872 0.0164 -0.0104 320 SER A OG 2422 N N . THR A 321 ? 0.1771 0.1506 0.2827 0.0380 -0.0648 -0.0300 321 THR A N 2423 C CA . THR A 321 ? 0.2180 0.1401 0.2432 0.0539 -0.0441 0.0217 321 THR A CA 2424 C C . THR A 321 ? 0.1794 0.1367 0.2376 0.0249 -0.0779 -0.0036 321 THR A C 2425 O O . THR A 321 ? 0.1836 0.1384 0.2462 0.0176 -0.0836 0.0055 321 THR A O 2426 C CB . THR A 321 ? 0.2245 0.1574 0.2138 0.0095 -0.0639 0.0269 321 THR A CB 2427 O OG1 . THR A 321 ? 0.2006 0.1516 0.2085 0.0109 -0.0493 0.0145 321 THR A OG1 2428 C CG2 . THR A 321 ? 0.3134 0.1593 0.3122 -0.0074 -0.0546 0.0462 321 THR A CG2 2429 N N . ARG A 322 ? 0.2281 0.1397 0.2305 0.0355 -0.1021 0.0055 322 ARG A N 2430 C CA . ARG A 322 ? 0.1852 0.1348 0.2688 0.0067 -0.1036 -0.0168 322 ARG A CA 2431 C C . ARG A 322 ? 0.1928 0.1107 0.2490 0.0068 -0.0884 -0.0083 322 ARG A C 2432 O O . ARG A 322 ? 0.1773 0.1454 0.2449 0.0097 -0.0663 -0.0013 322 ARG A O 2433 C CB . ARG A 322 ? 0.2740 0.2349 0.2559 0.0176 -0.1368 -0.0147 322 ARG A CB 2434 C CG . ARG A 322 ? 0.2879 0.2461 0.2791 0.0000 -0.1165 -0.0115 322 ARG A CG 2435 C CD . ARG A 322 ? 0.3926 0.3278 0.2372 -0.0073 -0.1067 0.0263 322 ARG A CD 2436 N NE . ARG A 322 ? 0.4640 0.4095 0.3956 0.0428 -0.2076 -0.0337 322 ARG A NE 2437 C CZ . ARG A 322 ? 0.6196 0.6547 0.4083 0.0964 -0.2559 -0.0584 322 ARG A CZ 2438 N NH1 . ARG A 322 ? 0.7201 0.7159 0.4961 0.1012 -0.0773 -0.0566 322 ARG A NH1 2439 N NH2 . ARG A 322 ? 0.6797 0.6735 0.5174 0.1639 -0.2406 0.0733 322 ARG A NH2 2440 N N . LEU A 323 ? 0.1872 0.1016 0.2045 0.0143 -0.0700 -0.0070 323 LEU A N 2441 C CA . LEU A 323 ? 0.1808 0.1261 0.1679 0.0161 -0.0624 0.0051 323 LEU A CA 2442 C C . LEU A 323 ? 0.1600 0.1098 0.1631 0.0089 -0.0435 0.0027 323 LEU A C 2443 O O . LEU A 323 ? 0.1537 0.1482 0.1538 0.0189 -0.0371 -0.0050 323 LEU A O 2444 C CB . LEU A 323 ? 0.2121 0.1497 0.1612 0.0099 -0.0403 0.0128 323 LEU A CB 2445 C CG . LEU A 323 ? 0.2049 0.1473 0.1719 0.0199 -0.0515 0.0145 323 LEU A CG 2446 C CD1 . LEU A 323 ? 0.2096 0.2635 0.2002 0.0067 -0.0463 -0.0094 323 LEU A CD1 2447 C CD2 . LEU A 323 ? 0.3283 0.1371 0.1992 0.0264 -0.0450 0.0010 323 LEU A CD2 2448 N N . GLY A 324 ? 0.1557 0.1163 0.1754 0.0056 -0.0444 0.0061 324 GLY A N 2449 C CA . GLY A 324 ? 0.1257 0.1156 0.1729 0.0091 -0.0277 0.0016 324 GLY A CA 2450 C C . GLY A 324 ? 0.1378 0.1100 0.1731 0.0142 -0.0382 0.0124 324 GLY A C 2451 O O . GLY A 324 ? 0.1694 0.1185 0.1851 0.0108 -0.0411 0.0160 324 GLY A O 2452 N N . PRO A 325 ? 0.1294 0.1067 0.1583 0.0097 -0.0154 0.0021 325 PRO A N 2453 C CA . PRO A 325 ? 0.1417 0.0901 0.1678 0.0167 -0.0190 0.0014 325 PRO A CA 2454 C C . PRO A 325 ? 0.1276 0.0987 0.1614 0.0144 -0.0238 -0.0002 325 PRO A C 2455 O O . PRO A 325 ? 0.1319 0.1082 0.1669 0.0194 -0.0082 -0.0034 325 PRO A O 2456 C CB . PRO A 325 ? 0.1350 0.1099 0.1641 0.0018 -0.0034 -0.0092 325 PRO A CB 2457 C CG . PRO A 325 ? 0.1389 0.1355 0.1480 0.0184 -0.0082 0.0008 325 PRO A CG 2458 C CD . PRO A 325 ? 0.1301 0.1162 0.1610 0.0157 -0.0083 0.0071 325 PRO A CD 2459 N N . SER A 326 ? 0.1379 0.1201 0.1802 0.0287 -0.0141 0.0175 326 SER A N 2460 C CA . SER A 326 ? 0.1170 0.1113 0.1515 0.0152 -0.0315 0.0312 326 SER A CA 2461 C C . SER A 326 ? 0.1554 0.1297 0.1653 0.0008 -0.0312 0.0253 326 SER A C 2462 O O . SER A 326 ? 0.2900 0.1240 0.3184 0.0308 -0.1420 0.0019 326 SER A O 2463 C CB . SER A 326 ? 0.1881 0.1941 0.2013 0.0157 -0.0694 0.0658 326 SER A CB 2464 O OG . SER A 326 ? 0.3172 0.2864 0.2367 -0.0153 -0.0412 0.0529 326 SER A OG 2465 N N . VAL A 327 ? 0.1279 0.1123 0.2392 -0.0035 -0.0204 0.0572 327 VAL A N 2466 C CA . VAL A 327 ? 0.1161 0.0941 0.1841 0.0020 0.0010 0.0262 327 VAL A CA 2467 C C . VAL A 327 ? 0.1281 0.0938 0.1521 -0.0015 0.0003 0.0258 327 VAL A C 2468 O O . VAL A 327 ? 0.1379 0.1119 0.1705 -0.0073 -0.0252 0.0182 327 VAL A O 2469 C CB . VAL A 327 ? 0.1220 0.0901 0.1628 -0.0006 0.0042 0.0229 327 VAL A CB 2470 C CG1 . VAL A 327 ? 0.1661 0.1125 0.2131 0.0131 0.0435 0.0279 327 VAL A CG1 2471 C CG2 . VAL A 327 ? 0.1158 0.0952 0.1541 0.0057 -0.0037 0.0219 327 VAL A CG2 2472 N N . PRO A 328 ? 0.1286 0.0844 0.1486 -0.0020 0.0030 0.0169 328 PRO A N 2473 C CA . PRO A 328 ? 0.1436 0.1045 0.1393 -0.0125 0.0114 0.0169 328 PRO A CA 2474 C C . PRO A 328 ? 0.1141 0.1068 0.1295 -0.0080 -0.0118 0.0032 328 PRO A C 2475 O O . PRO A 328 ? 0.1506 0.0824 0.1262 -0.0171 -0.0045 0.0024 328 PRO A O 2476 C CB . PRO A 328 ? 0.1410 0.1004 0.1495 -0.0149 0.0113 0.0083 328 PRO A CB 2477 C CG . PRO A 328 ? 0.1505 0.0979 0.1659 -0.0090 0.0134 0.0077 328 PRO A CG 2478 C CD . PRO A 328 ? 0.1354 0.0915 0.1581 -0.0114 0.0038 0.0041 328 PRO A CD 2479 N N . SER A 329 ? 0.1343 0.1214 0.1317 -0.0035 -0.0116 0.0076 329 SER A N 2480 C CA . SER A 329 ? 0.1375 0.1175 0.1385 -0.0194 -0.0066 -0.0099 329 SER A CA 2481 C C . SER A 329 ? 0.1069 0.1024 0.1498 -0.0126 0.0203 0.0042 329 SER A C 2482 O O . SER A 329 ? 0.1258 0.1013 0.1902 -0.0177 0.0126 0.0358 329 SER A O 2483 C CB . SER A 329 ? 0.1868 0.1553 0.1564 0.0074 -0.0017 -0.0327 329 SER A CB 2484 O OG . SER A 329 ? 0.1712 0.2536 0.1787 0.0157 0.0198 0.0042 329 SER A OG 2485 N N . ILE A 330 ? 0.0985 0.0838 0.1591 -0.0191 0.0245 -0.0058 330 ILE A N 2486 C CA . ILE A 330 ? 0.0957 0.0713 0.1558 -0.0132 0.0210 0.0042 330 ILE A CA 2487 C C . ILE A 330 ? 0.1103 0.0729 0.1669 -0.0203 0.0316 0.0055 330 ILE A C 2488 O O . ILE A 330 ? 0.1256 0.0899 0.2095 -0.0381 0.0491 -0.0248 330 ILE A O 2489 C CB . ILE A 330 ? 0.1098 0.0841 0.1551 -0.0187 0.0242 0.0071 330 ILE A CB 2490 C CG1 . ILE A 330 ? 0.1269 0.1074 0.1513 -0.0130 0.0222 0.0077 330 ILE A CG1 2491 C CG2 . ILE A 330 ? 0.1205 0.1109 0.1730 -0.0182 0.0132 0.0096 330 ILE A CG2 2492 C CD1 . ILE A 330 ? 0.1690 0.1532 0.1501 -0.0241 0.0304 -0.0065 330 ILE A CD1 2493 N N . ASP A 331 ? 0.0945 0.0731 0.1401 -0.0154 0.0141 0.0044 331 ASP A N 2494 C CA . ASP A 331 ? 0.1056 0.0756 0.1167 -0.0137 0.0090 0.0008 331 ASP A CA 2495 C C . ASP A 331 ? 0.0927 0.0762 0.1116 -0.0141 0.0155 0.0056 331 ASP A C 2496 O O . ASP A 331 ? 0.0984 0.0707 0.1578 -0.0211 0.0069 0.0022 331 ASP A O 2497 C CB . ASP A 331 ? 0.1459 0.1166 0.1250 -0.0200 0.0103 0.0115 331 ASP A CB 2498 C CG . ASP A 331 ? 0.1783 0.1917 0.1557 -0.0195 0.0003 0.0320 331 ASP A CG 2499 O OD1 . ASP A 331 ? 0.1602 0.2125 0.2003 -0.0052 -0.0126 0.0536 331 ASP A OD1 2500 O OD2 . ASP A 331 ? 0.2979 0.2035 0.1999 -0.0054 -0.0114 0.0501 331 ASP A OD2 2501 N N . LEU A 332 ? 0.0938 0.0719 0.1074 -0.0222 0.0101 0.0036 332 LEU A N 2502 C CA . LEU A 332 ? 0.0832 0.0675 0.1209 -0.0215 0.0145 0.0059 332 LEU A CA 2503 C C . LEU A 332 ? 0.1003 0.0809 0.1238 -0.0174 0.0146 -0.0013 332 LEU A C 2504 O O . LEU A 332 ? 0.1043 0.0957 0.1376 -0.0290 0.0269 -0.0167 332 LEU A O 2505 C CB . LEU A 332 ? 0.0926 0.0874 0.1166 -0.0177 0.0045 0.0038 332 LEU A CB 2506 C CG . LEU A 332 ? 0.0964 0.0969 0.1144 -0.0092 0.0099 0.0111 332 LEU A CG 2507 C CD1 . LEU A 332 ? 0.1310 0.1115 0.1332 -0.0330 0.0109 0.0322 332 LEU A CD1 2508 C CD2 . LEU A 332 ? 0.1316 0.1021 0.1279 -0.0259 0.0185 -0.0059 332 LEU A CD2 2509 N N . VAL A 333 ? 0.1030 0.0817 0.1117 -0.0233 0.0150 0.0008 333 VAL A N 2510 C CA . VAL A 333 ? 0.1114 0.0896 0.0988 -0.0188 0.0072 0.0135 333 VAL A CA 2511 C C . VAL A 333 ? 0.1043 0.0863 0.0934 -0.0202 0.0185 0.0041 333 VAL A C 2512 O O . VAL A 333 ? 0.1047 0.0913 0.1134 -0.0156 0.0066 -0.0041 333 VAL A O 2513 C CB . VAL A 333 ? 0.1310 0.0986 0.1241 -0.0236 0.0198 0.0200 333 VAL A CB 2514 C CG1 . VAL A 333 ? 0.1802 0.1226 0.1293 -0.0312 0.0547 0.0267 333 VAL A CG1 2515 C CG2 . VAL A 333 ? 0.1742 0.1018 0.1595 -0.0079 0.0332 0.0371 333 VAL A CG2 2516 N N . LEU A 334 ? 0.1247 0.0848 0.0837 -0.0156 0.0180 0.0119 334 LEU A N 2517 C CA . LEU A 334 ? 0.1149 0.0850 0.0862 -0.0209 0.0224 0.0129 334 LEU A CA 2518 C C . LEU A 334 ? 0.1097 0.0966 0.0974 -0.0208 0.0188 0.0091 334 LEU A C 2519 O O . LEU A 334 ? 0.1369 0.1069 0.1429 -0.0357 0.0476 0.0058 334 LEU A O 2520 C CB . LEU A 334 ? 0.0983 0.0823 0.0874 -0.0190 0.0113 0.0028 334 LEU A CB 2521 C CG . LEU A 334 ? 0.1146 0.0829 0.1064 -0.0240 0.0293 -0.0084 334 LEU A CG 2522 C CD1 . LEU A 334 ? 0.1002 0.1171 0.1153 -0.0280 0.0161 -0.0026 334 LEU A CD1 2523 C CD2 . LEU A 334 ? 0.1207 0.1272 0.1169 -0.0167 0.0062 -0.0059 334 LEU A CD2 2524 N N . GLN A 335 ? 0.1266 0.1053 0.1163 -0.0239 0.0432 0.0001 335 GLN A N 2525 C CA . GLN A 335 ? 0.1381 0.1237 0.1297 -0.0233 0.0475 -0.0178 335 GLN A CA 2526 C C . GLN A 335 ? 0.1824 0.1490 0.1401 -0.0295 0.0709 -0.0118 335 GLN A C 2527 O O . GLN A 335 ? 0.2071 0.2243 0.2067 -0.0411 0.1233 0.0144 335 GLN A O 2528 C CB . GLN A 335 ? 0.1388 0.1366 0.1376 -0.0131 0.0500 -0.0250 335 GLN A CB 2529 C CG . GLN A 335 ? 0.1463 0.1641 0.1244 -0.0271 0.0533 -0.0194 335 GLN A CG 2530 C CD . GLN A 335 ? 0.1396 0.1055 0.0959 -0.0181 0.0425 0.0026 335 GLN A CD 2531 O OE1 . GLN A 335 ? 0.1375 0.0938 0.0862 -0.0255 0.0380 0.0050 335 GLN A OE1 2532 N NE2 . GLN A 335 ? 0.1652 0.1238 0.0937 -0.0301 0.0278 -0.0016 335 GLN A NE2 2533 N N . SER A 336 ? 0.1975 0.1596 0.1191 -0.0364 0.0701 0.0132 336 SER A N 2534 C CA . SER A 336 ? 0.2497 0.1902 0.1407 -0.0466 0.0741 0.0251 336 SER A CA 2535 C C . SER A 336 ? 0.3355 0.1950 0.1077 -0.0064 0.0555 0.0509 336 SER A C 2536 O O . SER A 336 ? 0.3308 0.1919 0.1225 0.0147 0.0569 0.0551 336 SER A O 2537 C CB . SER A 336 ? 0.2964 0.2502 0.1459 0.0030 0.0635 0.0038 336 SER A CB 2538 O OG . SER A 336 ? 0.3042 0.3201 0.1839 -0.0420 0.0619 -0.0169 336 SER A OG 2539 N N . GLU A 337 ? 0.4066 0.2074 0.1637 -0.0128 0.0810 0.0724 337 GLU A N 2540 C CA . GLU A 337 ? 0.4837 0.2398 0.1568 0.0469 0.0852 0.0891 337 GLU A CA 2541 C C . GLU A 337 ? 0.4975 0.2834 0.1451 0.0425 0.0705 0.0818 337 GLU A C 2542 O O . GLU A 337 ? 0.5795 0.2862 0.2349 0.0684 0.1262 0.1059 337 GLU A O 2543 C CB . GLU A 337 ? 0.5465 0.2103 0.2389 0.0025 0.0440 0.0890 337 GLU A CB 2544 C CG . GLU A 337 ? 0.6242 0.2090 0.4936 -0.0688 -0.0077 0.0879 337 GLU A CG 2545 C CD . GLU A 337 ? 0.7401 0.4502 0.6037 0.0805 -0.0412 -0.0280 337 GLU A CD 2546 O OE1 . GLU A 337 ? 0.6610 0.6160 0.6591 0.2219 -0.0270 0.0412 337 GLU A OE1 2547 O OE2 . GLU A 337 ? 0.8302 0.4665 0.7036 0.1191 0.1905 0.1646 337 GLU A OE2 2548 N N . SER A 338 ? 0.4273 0.3022 0.1189 0.0459 0.0554 0.0879 338 SER A N 2549 C CA . SER A 338 ? 0.4045 0.3577 0.1488 0.0551 0.0304 0.1214 338 SER A CA 2550 C C . SER A 338 ? 0.3118 0.3752 0.1374 0.0447 0.0090 0.1022 338 SER A C 2551 O O . SER A 338 ? 0.3367 0.4474 0.1515 0.0688 -0.0322 0.0580 338 SER A O 2552 C CB . SER A 338 ? 0.3924 0.4415 0.1553 0.0043 0.0152 0.0997 338 SER A CB 2553 O OG . SER A 338 ? 0.4681 0.5156 0.2054 0.0838 0.0885 -0.0087 338 SER A OG 2554 N N . VAL A 339 ? 0.2344 0.2401 0.0937 0.0463 0.0193 0.0152 339 VAL A N 2555 C CA . VAL A 339 ? 0.1871 0.2029 0.1097 0.0308 -0.0038 -0.0036 339 VAL A CA 2556 C C . VAL A 339 ? 0.1402 0.1738 0.1006 0.0160 0.0034 0.0010 339 VAL A C 2557 O O . VAL A 339 ? 0.1425 0.1706 0.0965 0.0139 0.0038 0.0074 339 VAL A O 2558 C CB . VAL A 339 ? 0.1888 0.1879 0.1054 0.0220 0.0034 -0.0073 339 VAL A CB 2559 C CG1 . VAL A 339 ? 0.1481 0.1810 0.1345 0.0021 0.0135 -0.0386 339 VAL A CG1 2560 C CG2 . VAL A 339 ? 0.2515 0.2089 0.1356 0.0146 0.0275 -0.0388 339 VAL A CG2 2561 N N . VAL A 340 ? 0.1301 0.1512 0.0932 -0.0071 -0.0015 -0.0017 340 VAL A N 2562 C CA . VAL A 340 ? 0.1325 0.1089 0.1103 -0.0157 0.0208 0.0007 340 VAL A CA 2563 C C . VAL A 340 ? 0.1179 0.0834 0.1183 -0.0205 0.0160 -0.0097 340 VAL A C 2564 O O . VAL A 340 ? 0.1670 0.1133 0.1325 -0.0511 -0.0011 -0.0049 340 VAL A O 2565 C CB . VAL A 340 ? 0.1867 0.1278 0.1871 -0.0175 0.0557 0.0348 340 VAL A CB 2566 C CG1 . VAL A 340 ? 0.1957 0.1727 0.1988 -0.0253 0.0383 0.0646 340 VAL A CG1 2567 C CG2 . VAL A 340 ? 0.2211 0.1629 0.2702 -0.0067 0.0243 0.0571 340 VAL A CG2 2568 N N . TRP A 341 ? 0.1022 0.0951 0.1174 -0.0193 0.0217 -0.0149 341 TRP A N 2569 C CA . TRP A 341 ? 0.0877 0.0815 0.1172 -0.0185 0.0124 -0.0095 341 TRP A CA 2570 C C . TRP A 341 ? 0.0961 0.0797 0.0987 -0.0192 0.0150 -0.0027 341 TRP A C 2571 O O . TRP A 341 ? 0.1006 0.0787 0.1197 -0.0214 0.0107 -0.0072 341 TRP A O 2572 C CB . TRP A 341 ? 0.0977 0.0852 0.1278 -0.0107 0.0089 0.0043 341 TRP A CB 2573 C CG . TRP A 341 ? 0.1074 0.0789 0.1114 -0.0086 0.0019 0.0095 341 TRP A CG 2574 C CD1 . TRP A 341 ? 0.1270 0.0907 0.1210 -0.0120 0.0297 0.0124 341 TRP A CD1 2575 C CD2 . TRP A 341 ? 0.1338 0.0883 0.0995 -0.0322 -0.0036 0.0081 341 TRP A CD2 2576 N NE1 . TRP A 341 ? 0.1273 0.1025 0.1119 -0.0132 0.0110 0.0150 341 TRP A NE1 2577 C CE2 . TRP A 341 ? 0.1488 0.1001 0.0891 -0.0408 0.0013 -0.0037 341 TRP A CE2 2578 C CE3 . TRP A 341 ? 0.2154 0.0881 0.0743 -0.0252 0.0012 -0.0087 341 TRP A CE3 2579 C CZ2 . TRP A 341 ? 0.2387 0.1148 0.0940 -0.0859 0.0269 -0.0079 341 TRP A CZ2 2580 C CZ3 . TRP A 341 ? 0.3140 0.0968 0.1001 -0.0636 0.0258 -0.0137 341 TRP A CZ3 2581 C CH2 . TRP A 341 ? 0.4871 0.0973 0.1082 -0.1049 0.0897 -0.0169 341 TRP A CH2 2582 N N . THR A 342 ? 0.1042 0.0851 0.1143 -0.0166 0.0060 -0.0129 342 THR A N 2583 C CA A THR A 342 ? 0.1086 0.0907 0.1063 -0.0117 0.0107 0.0049 342 THR A CA 2584 C CA B THR A 342 ? 0.1115 0.0936 0.1086 -0.0126 0.0123 -0.0082 342 THR A CA 2585 C C . THR A 342 ? 0.0999 0.0770 0.1067 -0.0160 0.0054 0.0040 342 THR A C 2586 O O . THR A 342 ? 0.1271 0.1022 0.1137 -0.0405 0.0142 -0.0015 342 THR A O 2587 C CB A THR A 342 ? 0.1482 0.1058 0.1240 0.0107 -0.0042 0.0120 342 THR A CB 2588 C CB B THR A 342 ? 0.1689 0.1327 0.1404 0.0021 -0.0027 0.0125 342 THR A CB 2589 O OG1 A THR A 342 ? 0.2123 0.2161 0.1437 0.0060 0.0291 0.0456 342 THR A OG1 2590 O OG1 B THR A 342 ? 0.1842 0.2304 0.1273 -0.0257 -0.0125 -0.0004 342 THR A OG1 2591 C CG2 A THR A 342 ? 0.2289 0.0913 0.0870 0.0320 -0.0298 0.0382 342 THR A CG2 2592 C CG2 B THR A 342 ? 0.2077 0.1034 0.1329 0.0095 0.0102 -0.0086 342 THR A CG2 2593 N N . ILE A 343 ? 0.1057 0.0685 0.1366 -0.0194 0.0324 -0.0026 343 ILE A N 2594 C CA . ILE A 343 ? 0.0984 0.0789 0.1294 -0.0135 0.0310 -0.0048 343 ILE A CA 2595 C C . ILE A 343 ? 0.1085 0.0762 0.1222 -0.0104 0.0230 -0.0096 343 ILE A C 2596 O O . ILE A 343 ? 0.1299 0.0680 0.1694 -0.0119 0.0252 0.0005 343 ILE A O 2597 C CB . ILE A 343 ? 0.1102 0.0845 0.1257 -0.0127 0.0211 0.0072 343 ILE A CB 2598 C CG1 . ILE A 343 ? 0.1253 0.0863 0.1403 -0.0091 0.0251 0.0119 343 ILE A CG1 2599 C CG2 . ILE A 343 ? 0.1122 0.1050 0.1374 -0.0028 0.0270 0.0034 343 ILE A CG2 2600 C CD1 . ILE A 343 ? 0.1384 0.1215 0.1416 0.0043 0.0185 0.0104 343 ILE A CD1 2601 N N . THR A 344 ? 0.1077 0.0838 0.1069 -0.0104 0.0170 -0.0012 344 THR A N 2602 C CA . THR A 344 ? 0.1149 0.0998 0.1114 0.0003 0.0144 0.0090 344 THR A CA 2603 C C . THR A 344 ? 0.1061 0.0750 0.1065 -0.0022 -0.0075 -0.0002 344 THR A C 2604 O O . THR A 344 ? 0.1022 0.0776 0.1056 0.0034 -0.0013 -0.0018 344 THR A O 2605 C CB . THR A 344 ? 0.1418 0.1334 0.1180 -0.0019 -0.0031 -0.0030 344 THR A CB 2606 O OG1 . THR A 344 ? 0.1345 0.1231 0.1483 -0.0089 -0.0038 -0.0092 344 THR A OG1 2607 C CG2 . THR A 344 ? 0.1714 0.1903 0.1260 -0.0075 0.0148 -0.0075 344 THR A CG2 2608 N N . GLY A 345 ? 0.1221 0.0915 0.1072 0.0049 -0.0083 0.0076 345 GLY A N 2609 C CA . GLY A 345 ? 0.1228 0.0703 0.1116 0.0080 -0.0078 0.0034 345 GLY A CA 2610 C C . GLY A 345 ? 0.0934 0.0763 0.1188 0.0102 -0.0084 -0.0040 345 GLY A C 2611 O O . GLY A 345 ? 0.1089 0.0783 0.1175 0.0022 -0.0013 -0.0043 345 GLY A O 2612 N N . SER A 346 ? 0.1056 0.0720 0.1191 0.0018 -0.0203 0.0046 346 SER A N 2613 C CA . SER A 346 ? 0.0888 0.0906 0.1322 0.0005 -0.0001 0.0008 346 SER A CA 2614 C C . SER A 346 ? 0.0979 0.0804 0.1301 -0.0033 0.0034 0.0133 346 SER A C 2615 O O . SER A 346 ? 0.1076 0.1346 0.1480 0.0121 0.0203 0.0350 346 SER A O 2616 C CB . SER A 346 ? 0.1112 0.0825 0.1283 0.0005 -0.0064 -0.0011 346 SER A CB 2617 O OG . SER A 346 ? 0.1190 0.0968 0.1305 -0.0129 0.0019 -0.0035 346 SER A OG 2618 N N . ASN A 347 ? 0.0949 0.0613 0.0960 -0.0018 -0.0078 -0.0072 347 ASN A N 2619 C CA . ASN A 347 ? 0.0934 0.0604 0.0977 -0.0037 -0.0052 0.0009 347 ASN A CA 2620 C C . ASN A 347 ? 0.0937 0.0636 0.0961 0.0033 -0.0034 -0.0029 347 ASN A C 2621 O O . ASN A 347 ? 0.1219 0.0743 0.1148 -0.0121 -0.0288 0.0033 347 ASN A O 2622 C CB . ASN A 347 ? 0.0844 0.0613 0.0879 -0.0046 -0.0040 0.0050 347 ASN A CB 2623 C CG . ASN A 347 ? 0.0874 0.0606 0.0859 0.0006 -0.0002 -0.0002 347 ASN A CG 2624 O OD1 . ASN A 347 ? 0.0999 0.0701 0.0819 -0.0135 0.0007 0.0053 347 ASN A OD1 2625 N ND2 . ASN A 347 ? 0.0971 0.0632 0.0859 -0.0067 -0.0007 0.0024 347 ASN A ND2 2626 N N . SER A 348 ? 0.0883 0.0618 0.1042 -0.0030 -0.0090 -0.0020 348 SER A N 2627 C CA . SER A 348 ? 0.0962 0.0692 0.1239 -0.0088 -0.0100 -0.0103 348 SER A CA 2628 C C . SER A 348 ? 0.1075 0.0621 0.1234 -0.0122 -0.0122 -0.0127 348 SER A C 2629 O O . SER A 348 ? 0.1221 0.0999 0.1459 0.0018 -0.0291 -0.0306 348 SER A O 2630 C CB . SER A 348 ? 0.1070 0.0769 0.1284 -0.0153 -0.0123 -0.0053 348 SER A CB 2631 O OG . SER A 348 ? 0.1101 0.0742 0.1316 -0.0032 -0.0056 0.0052 348 SER A OG 2632 N N . MET A 349 ? 0.1058 0.0595 0.1162 -0.0093 -0.0057 -0.0135 349 MET A N 2633 C CA . MET A 349 ? 0.1185 0.0675 0.1045 -0.0091 -0.0110 -0.0111 349 MET A CA 2634 C C . MET A 349 ? 0.1263 0.0693 0.1121 -0.0041 -0.0067 -0.0111 349 MET A C 2635 O O . MET A 349 ? 0.1397 0.0807 0.1234 -0.0204 0.0025 -0.0103 349 MET A O 2636 C CB . MET A 349 ? 0.1180 0.0746 0.1213 -0.0001 -0.0019 -0.0057 349 MET A CB 2637 C CG . MET A 349 ? 0.1151 0.0765 0.1170 -0.0031 -0.0020 0.0052 349 MET A CG 2638 S SD . MET A 349 ? 0.1182 0.0718 0.1337 -0.0012 0.0121 -0.0063 349 MET A SD 2639 C CE . MET A 349 ? 0.1501 0.0794 0.1551 0.0009 0.0189 -0.0117 349 MET A CE 2640 N N . VAL A 350 ? 0.1403 0.0710 0.1044 -0.0112 0.0000 -0.0074 350 VAL A N 2641 C CA . VAL A 350 ? 0.1611 0.0698 0.1170 -0.0152 0.0094 -0.0007 350 VAL A CA 2642 C C . VAL A 350 ? 0.1650 0.0784 0.1161 -0.0144 0.0206 -0.0080 350 VAL A C 2643 O O . VAL A 350 ? 0.1835 0.0750 0.1413 -0.0215 0.0319 -0.0181 350 VAL A O 2644 C CB . VAL A 350 ? 0.1752 0.0955 0.1257 -0.0149 0.0009 0.0024 350 VAL A CB 2645 C CG1 . VAL A 350 ? 0.2271 0.1281 0.1350 -0.0328 -0.0085 0.0243 350 VAL A CG1 2646 C CG2 . VAL A 350 ? 0.1961 0.1020 0.1567 0.0025 -0.0216 0.0060 350 VAL A CG2 2647 N N . TYR A 351 ? 0.1720 0.0921 0.1488 -0.0143 0.0267 -0.0230 351 TYR A N 2648 C CA . TYR A 351 ? 0.1731 0.1147 0.1673 -0.0089 0.0365 -0.0183 351 TYR A CA 2649 C C . TYR A 351 ? 0.1848 0.1264 0.1590 -0.0205 0.0385 -0.0137 351 TYR A C 2650 O O . TYR A 351 ? 0.2720 0.1156 0.1814 -0.0447 0.0568 -0.0137 351 TYR A O 2651 C CB . TYR A 351 ? 0.1621 0.1565 0.1903 -0.0142 0.0248 -0.0210 351 TYR A CB 2652 C CG . TYR A 351 ? 0.1811 0.1401 0.1835 -0.0051 0.0265 -0.0394 351 TYR A CG 2653 C CD1 . TYR A 351 ? 0.2166 0.1532 0.1912 0.0310 0.0233 -0.0361 351 TYR A CD1 2654 C CD2 . TYR A 351 ? 0.1752 0.1506 0.1986 -0.0066 0.0189 -0.0529 351 TYR A CD2 2655 C CE1 . TYR A 351 ? 0.2212 0.1703 0.1884 0.0123 0.0025 -0.0305 351 TYR A CE1 2656 C CE2 . TYR A 351 ? 0.2350 0.1883 0.2018 0.0103 0.0242 -0.0591 351 TYR A CE2 2657 C CZ . TYR A 351 ? 0.2175 0.1915 0.1856 -0.0026 -0.0104 -0.0347 351 TYR A CZ 2658 O OH . TYR A 351 ? 0.2602 0.2373 0.1817 0.0000 -0.0021 -0.0237 351 TYR A OH 2659 N N . ILE A 352 ? 0.2005 0.1221 0.1562 -0.0252 0.0557 -0.0239 352 ILE A N 2660 C CA . ILE A 352 ? 0.1923 0.1502 0.1558 -0.0188 0.0583 -0.0268 352 ILE A CA 2661 C C . ILE A 352 ? 0.1951 0.1880 0.1683 -0.0226 0.0612 -0.0115 352 ILE A C 2662 O O . ILE A 352 ? 0.2429 0.2245 0.1840 -0.0309 0.0920 -0.0045 352 ILE A O 2663 C CB . ILE A 352 ? 0.2033 0.1431 0.1692 0.0018 0.0360 -0.0510 352 ILE A CB 2664 C CG1 . ILE A 352 ? 0.1989 0.1256 0.1798 -0.0165 0.0349 -0.0171 352 ILE A CG1 2665 C CG2 . ILE A 352 ? 0.2299 0.1835 0.1746 0.0247 0.0412 -0.0327 352 ILE A CG2 2666 C CD1 . ILE A 352 ? 0.2167 0.1333 0.2149 0.0106 0.0496 -0.0093 352 ILE A CD1 2667 N N . ASN A 353 ? 0.1851 0.1692 0.1929 -0.0265 0.0741 -0.0090 353 ASN A N 2668 C CA . ASN A 353 ? 0.1847 0.2189 0.2220 -0.0313 0.0696 -0.0093 353 ASN A CA 2669 C C . ASN A 353 ? 0.1620 0.2068 0.2171 -0.0310 0.0540 -0.0284 353 ASN A C 2670 O O . ASN A 353 ? 0.1629 0.2147 0.1926 -0.0234 0.0358 -0.0183 353 ASN A O 2671 C CB . ASN A 353 ? 0.2160 0.2398 0.2129 0.0003 0.0779 -0.0214 353 ASN A CB 2672 C CG . ASN A 353 ? 0.2711 0.1822 0.2137 0.0199 0.0857 -0.0607 353 ASN A CG 2673 O OD1 . ASN A 353 ? 0.1956 0.2311 0.2171 0.0180 0.0762 -0.0411 353 ASN A OD1 2674 N ND2 . ASN A 353 ? 0.2955 0.2587 0.2271 -0.0144 0.0724 -0.0787 353 ASN A ND2 2675 N N . ASP A 354 ? 0.1762 0.2808 0.2343 -0.0094 0.0668 0.0111 354 ASP A N 2676 C CA . ASP A 354 ? 0.1438 0.2656 0.2451 -0.0365 0.0314 -0.0024 354 ASP A CA 2677 C C . ASP A 354 ? 0.1264 0.2378 0.2409 -0.0244 0.0313 -0.0095 354 ASP A C 2678 O O . ASP A 354 ? 0.1667 0.2195 0.2395 -0.0447 0.0143 -0.0199 354 ASP A O 2679 C CB . ASP A 354 ? 0.1607 0.3142 0.3080 -0.0129 0.0370 0.0347 354 ASP A CB 2680 C CG . ASP A 354 ? 0.1942 0.4253 0.4460 -0.0738 0.0464 0.0360 354 ASP A CG 2681 O OD1 . ASP A 354 ? 0.2378 0.4002 0.5283 -0.1005 0.0294 0.0123 354 ASP A OD1 2682 O OD2 . ASP A 354 ? 0.1989 0.6409 0.6111 -0.0512 0.0840 0.0474 354 ASP A OD2 2683 N N . ASN A 355 ? 0.1238 0.1941 0.2260 0.0047 0.0352 -0.0242 355 ASN A N 2684 C CA . ASN A 355 ? 0.1391 0.1724 0.2036 0.0187 0.0332 -0.0259 355 ASN A CA 2685 C C . ASN A 355 ? 0.1305 0.1289 0.2249 0.0161 0.0394 -0.0469 355 ASN A C 2686 O O . ASN A 355 ? 0.1394 0.1189 0.2258 0.0236 0.0384 -0.0369 355 ASN A O 2687 C CB . ASN A 355 ? 0.1795 0.1920 0.2337 0.0427 0.0334 -0.0471 355 ASN A CB 2688 C CG . ASN A 355 ? 0.1849 0.2393 0.2884 0.0400 0.0239 -0.0799 355 ASN A CG 2689 O OD1 . ASN A 355 ? 0.2320 0.4049 0.3703 0.1198 0.0241 -0.0470 355 ASN A OD1 2690 N ND2 . ASN A 355 ? 0.1724 0.2838 0.3331 0.0142 0.0643 -0.1024 355 ASN A ND2 2691 N N . VAL A 356 ? 0.1275 0.1144 0.2079 -0.0028 0.0459 -0.0374 356 VAL A N 2692 C CA . VAL A 356 ? 0.1371 0.1040 0.1904 -0.0107 0.0382 -0.0398 356 VAL A CA 2693 C C . VAL A 356 ? 0.1292 0.0910 0.1595 0.0042 0.0276 -0.0162 356 VAL A C 2694 O O . VAL A 356 ? 0.1494 0.0978 0.1872 -0.0208 0.0481 -0.0234 356 VAL A O 2695 C CB . VAL A 356 ? 0.1501 0.1297 0.1851 -0.0063 0.0398 -0.0490 356 VAL A CB 2696 C CG1 . VAL A 356 ? 0.1493 0.1214 0.2124 0.0079 0.0258 -0.0384 356 VAL A CG1 2697 C CG2 . VAL A 356 ? 0.1855 0.1594 0.1998 0.0237 0.0293 -0.0749 356 VAL A CG2 2698 N N . VAL A 357 ? 0.1153 0.0768 0.1684 0.0006 0.0304 -0.0155 357 VAL A N 2699 C CA . VAL A 357 ? 0.1351 0.0714 0.1367 -0.0026 0.0177 -0.0171 357 VAL A CA 2700 C C . VAL A 357 ? 0.1283 0.0567 0.1345 0.0074 0.0169 -0.0253 357 VAL A C 2701 O O . VAL A 357 ? 0.1327 0.0612 0.1912 0.0051 0.0220 -0.0084 357 VAL A O 2702 C CB . VAL A 357 ? 0.1531 0.0909 0.1482 0.0119 0.0000 -0.0057 357 VAL A CB 2703 C CG1 . VAL A 357 ? 0.2136 0.0793 0.1509 0.0104 0.0051 -0.0218 357 VAL A CG1 2704 C CG2 . VAL A 357 ? 0.1906 0.1019 0.1879 0.0170 0.0187 -0.0201 357 VAL A CG2 2705 N N . CYS A 358 ? 0.1267 0.0581 0.1446 -0.0045 0.0112 -0.0129 358 CYS A N 2706 C CA . CYS A 358 ? 0.1296 0.0614 0.1333 0.0033 -0.0024 -0.0174 358 CYS A CA 2707 C C . CYS A 358 ? 0.1412 0.0620 0.1246 0.0022 0.0022 -0.0143 358 CYS A C 2708 O O . CYS A 358 ? 0.1268 0.0721 0.1360 0.0009 0.0040 -0.0270 358 CYS A O 2709 C CB . CYS A 358 ? 0.1621 0.0734 0.1365 0.0105 0.0025 -0.0080 358 CYS A CB 2710 S SG . CYS A 358 ? 0.2066 0.0997 0.1381 0.0108 0.0270 -0.0163 358 CYS A SG 2711 N N . LEU A 359 ? 0.1262 0.0585 0.1329 0.0134 -0.0077 -0.0211 359 LEU A N 2712 C CA . LEU A 359 ? 0.1210 0.0663 0.1253 0.0074 -0.0084 -0.0294 359 LEU A CA 2713 C C . LEU A 359 ? 0.1074 0.0655 0.1238 0.0109 -0.0045 -0.0274 359 LEU A C 2714 O O . LEU A 359 ? 0.1267 0.0692 0.1197 0.0012 -0.0093 -0.0263 359 LEU A O 2715 C CB . LEU A 359 ? 0.1204 0.0754 0.1287 0.0027 -0.0099 -0.0248 359 LEU A CB 2716 C CG . LEU A 359 ? 0.1173 0.0753 0.1385 0.0037 -0.0106 -0.0098 359 LEU A CG 2717 C CD1 . LEU A 359 ? 0.1482 0.1059 0.1362 0.0043 -0.0043 -0.0314 359 LEU A CD1 2718 C CD2 . LEU A 359 ? 0.1234 0.1067 0.1602 -0.0060 0.0045 -0.0181 359 LEU A CD2 2719 N N . GLY A 360 ? 0.1290 0.0662 0.1147 0.0068 -0.0214 -0.0220 360 GLY A N 2720 C CA . GLY A 360 ? 0.1308 0.0749 0.1215 0.0050 -0.0202 -0.0170 360 GLY A CA 2721 C C . GLY A 360 ? 0.1305 0.0720 0.1033 0.0084 -0.0115 -0.0241 360 GLY A C 2722 O O . GLY A 360 ? 0.1447 0.0671 0.1131 0.0092 -0.0133 -0.0086 360 GLY A O 2723 N N . VAL A 361 ? 0.1227 0.0701 0.1154 0.0164 -0.0119 -0.0313 361 VAL A N 2724 C CA . VAL A 361 ? 0.1136 0.0830 0.1000 0.0148 0.0007 -0.0231 361 VAL A CA 2725 C C . VAL A 361 ? 0.0970 0.0728 0.1092 0.0076 0.0051 -0.0189 361 VAL A C 2726 O O . VAL A 361 ? 0.1228 0.0775 0.1302 0.0136 0.0001 -0.0345 361 VAL A O 2727 C CB . VAL A 361 ? 0.1399 0.0939 0.1078 0.0128 -0.0003 -0.0093 361 VAL A CB 2728 C CG1 . VAL A 361 ? 0.1683 0.0970 0.1132 0.0116 -0.0059 -0.0101 361 VAL A CG1 2729 C CG2 . VAL A 361 ? 0.1342 0.0982 0.1351 0.0093 -0.0015 -0.0047 361 VAL A CG2 2730 N N . VAL A 362 ? 0.1074 0.0716 0.0968 0.0059 -0.0015 -0.0216 362 VAL A N 2731 C CA . VAL A 362 ? 0.1018 0.0809 0.0911 -0.0040 0.0067 -0.0275 362 VAL A CA 2732 C C . VAL A 362 ? 0.1054 0.0870 0.0992 -0.0097 0.0064 -0.0207 362 VAL A C 2733 O O . VAL A 362 ? 0.1064 0.0909 0.1038 0.0027 0.0026 -0.0259 362 VAL A O 2734 C CB . VAL A 362 ? 0.1176 0.1020 0.1011 -0.0061 0.0097 -0.0230 362 VAL A CB 2735 C CG1 . VAL A 362 ? 0.1247 0.1061 0.1279 0.0027 0.0206 -0.0012 362 VAL A CG1 2736 C CG2 . VAL A 362 ? 0.1401 0.1002 0.1020 0.0024 0.0130 0.0000 362 VAL A CG2 2737 N N . ASP A 363 ? 0.1199 0.1199 0.1001 -0.0152 0.0053 -0.0356 363 ASP A N 2738 C CA . ASP A 363 ? 0.1184 0.1279 0.1098 -0.0216 -0.0003 -0.0336 363 ASP A CA 2739 C C . ASP A 363 ? 0.1208 0.1605 0.0926 -0.0196 -0.0085 -0.0126 363 ASP A C 2740 O O . ASP A 363 ? 0.1614 0.2628 0.1059 0.0060 0.0081 -0.0016 363 ASP A O 2741 C CB . ASP A 363 ? 0.1381 0.1471 0.1511 -0.0166 0.0018 -0.0579 363 ASP A CB 2742 C CG . ASP A 363 ? 0.1538 0.1518 0.1592 -0.0373 -0.0194 -0.0589 363 ASP A CG 2743 O OD1 . ASP A 363 ? 0.1318 0.1527 0.1505 -0.0448 -0.0107 -0.0382 363 ASP A OD1 2744 O OD2 . ASP A 363 ? 0.1732 0.1664 0.3046 -0.0276 -0.0269 -0.0986 363 ASP A OD2 2745 N N . GLY A 364 ? 0.1304 0.1272 0.1107 -0.0265 -0.0129 -0.0128 364 GLY A N 2746 C CA . GLY A 364 ? 0.1516 0.1302 0.1233 -0.0337 -0.0245 0.0053 364 GLY A CA 2747 C C . GLY A 364 ? 0.1537 0.1547 0.1362 -0.0274 -0.0264 -0.0014 364 GLY A C 2748 O O . GLY A 364 ? 0.2080 0.2019 0.1773 -0.0458 -0.0820 0.0411 364 GLY A O 2749 N N . GLY A 365 ? 0.1522 0.1506 0.1188 -0.0293 -0.0350 -0.0161 365 GLY A N 2750 C CA . GLY A 365 ? 0.1642 0.1615 0.1166 -0.0288 -0.0358 -0.0157 365 GLY A CA 2751 C C . GLY A 365 ? 0.1547 0.1281 0.1394 -0.0269 -0.0391 -0.0183 365 GLY A C 2752 O O . GLY A 365 ? 0.1619 0.1346 0.1278 -0.0362 -0.0285 -0.0099 365 GLY A O 2753 N N . SER A 366 ? 0.1595 0.1831 0.1482 -0.0499 -0.0407 -0.0336 366 SER A N 2754 C CA A SER A 366 ? 0.1481 0.2158 0.1709 -0.0530 -0.0337 -0.0396 366 SER A CA 2755 C CA B SER A 366 ? 0.1557 0.2164 0.1717 -0.0491 -0.0273 -0.0295 366 SER A CA 2756 C C . SER A 366 ? 0.1754 0.2348 0.2022 -0.0347 -0.0510 -0.0489 366 SER A C 2757 O O . SER A 366 ? 0.2220 0.2039 0.2280 -0.0207 -0.0432 -0.0332 366 SER A O 2758 C CB A SER A 366 ? 0.1576 0.2192 0.2244 -0.0645 -0.0207 -0.0222 366 SER A CB 2759 C CB B SER A 366 ? 0.1715 0.2227 0.2059 -0.0590 -0.0094 -0.0361 366 SER A CB 2760 O OG A SER A 366 ? 0.2604 0.2734 0.2285 -0.0824 -0.0351 -0.0838 366 SER A OG 2761 O OG B SER A 366 ? 0.2126 0.2026 0.2644 -0.0424 -0.0126 -0.0320 366 SER A OG 2762 N N . ASN A 367 ? 0.2098 0.2454 0.2472 0.0047 -0.0122 -0.0095 367 ASN A N 2763 C CA . ASN A 367 ? 0.2671 0.2505 0.2996 -0.0035 -0.0560 -0.0540 367 ASN A CA 2764 C C . ASN A 367 ? 0.3196 0.2724 0.2962 -0.0260 -0.0528 -0.0427 367 ASN A C 2765 O O . ASN A 367 ? 0.4486 0.3267 0.3199 -0.0631 -0.0734 0.0047 367 ASN A O 2766 C CB . ASN A 367 ? 0.2778 0.3405 0.3205 0.0020 -0.0629 0.0126 367 ASN A CB 2767 C CG . ASN A 367 ? 0.4599 0.4489 0.4371 0.1233 -0.0622 0.0729 367 ASN A CG 2768 O OD1 . ASN A 367 ? 0.5674 0.7096 0.4939 0.0448 0.0159 -0.0835 367 ASN A OD1 2769 N ND2 . ASN A 367 ? 0.6977 0.5559 0.5166 0.1131 -0.0822 0.1916 367 ASN A ND2 2770 N N . LEU A 368 ? 0.4106 0.1813 0.3009 -0.0347 -0.0945 -0.0886 368 LEU A N 2771 C CA . LEU A 368 ? 0.3582 0.2099 0.2118 -0.0048 -0.0306 -0.0394 368 LEU A CA 2772 C C . LEU A 368 ? 0.3601 0.2012 0.1668 -0.0754 0.0069 -0.0537 368 LEU A C 2773 O O . LEU A 368 ? 0.3576 0.1982 0.2195 -0.1045 0.0528 -0.0553 368 LEU A O 2774 C CB . LEU A 368 ? 0.3151 0.3000 0.1905 -0.0347 0.0227 0.0715 368 LEU A CB 2775 C CG . LEU A 368 ? 0.3268 0.2723 0.2087 0.0163 0.0092 0.0354 368 LEU A CG 2776 C CD1 . LEU A 368 ? 0.3405 0.2954 0.2127 -0.0092 0.0134 0.0421 368 LEU A CD1 2777 C CD2 . LEU A 368 ? 0.3005 0.2330 0.2649 -0.0125 0.0054 0.0582 368 LEU A CD2 2778 N N . ARG A 369 ? 0.2630 0.2041 0.1147 0.0000 -0.0047 -0.0067 369 ARG A N 2779 C CA . ARG A 369 ? 0.1576 0.1774 0.1257 -0.0328 -0.0143 0.0195 369 ARG A CA 2780 C C . ARG A 369 ? 0.1229 0.1226 0.1122 -0.0242 -0.0028 0.0176 369 ARG A C 2781 O O . ARG A 369 ? 0.1074 0.1382 0.1267 -0.0124 0.0031 0.0237 369 ARG A O 2782 C CB . ARG A 369 ? 0.1739 0.1837 0.1210 -0.0008 -0.0070 0.0393 369 ARG A CB 2783 C CG . ARG A 369 ? 0.1837 0.1712 0.1480 -0.0394 -0.0032 0.0082 369 ARG A CG 2784 C CD . ARG A 369 ? 0.2356 0.1924 0.1808 -0.0286 0.0041 0.0203 369 ARG A CD 2785 N NE . ARG A 369 ? 0.2863 0.2545 0.2191 -0.0101 -0.0514 0.0224 369 ARG A NE 2786 C CZ . ARG A 369 ? 0.2627 0.2789 0.2694 0.0266 -0.1000 0.0369 369 ARG A CZ 2787 N NH1 . ARG A 369 ? 0.2334 0.2500 0.3480 0.0098 -0.0652 -0.0229 369 ARG A NH1 2788 N NH2 . ARG A 369 ? 0.3210 0.3868 0.3761 0.0142 -0.1539 -0.0587 369 ARG A NH2 2789 N N . THR A 370 ? 0.1300 0.1013 0.1016 -0.0016 0.0151 0.0087 370 THR A N 2790 C CA . THR A 370 ? 0.1002 0.0873 0.1025 -0.0051 0.0148 0.0137 370 THR A CA 2791 C C . THR A 370 ? 0.1018 0.0868 0.1032 -0.0062 0.0187 0.0101 370 THR A C 2792 O O . THR A 370 ? 0.1536 0.1023 0.1108 0.0113 0.0402 0.0093 370 THR A O 2793 C CB . THR A 370 ? 0.0966 0.0789 0.1244 -0.0064 0.0199 0.0215 370 THR A CB 2794 O OG1 . THR A 370 ? 0.1152 0.0892 0.1147 -0.0026 0.0049 0.0280 370 THR A OG1 2795 C CG2 . THR A 370 ? 0.0865 0.0934 0.1286 -0.0173 0.0028 0.0256 370 THR A CG2 2796 N N . SER A 371 ? 0.0881 0.0716 0.1012 -0.0130 0.0180 0.0089 371 SER A N 2797 C CA . SER A 371 ? 0.0875 0.0650 0.1064 -0.0185 0.0094 -0.0007 371 SER A CA 2798 C C . SER A 371 ? 0.0816 0.0654 0.1024 -0.0107 0.0093 0.0001 371 SER A C 2799 O O . SER A 371 ? 0.0918 0.0688 0.1198 -0.0134 0.0109 -0.0120 371 SER A O 2800 C CB . SER A 371 ? 0.0826 0.0741 0.1098 -0.0214 0.0101 0.0070 371 SER A CB 2801 O OG . SER A 371 ? 0.0851 0.0852 0.1244 -0.0230 0.0054 0.0076 371 SER A OG 2802 N N . ILE A 372 ? 0.0793 0.0619 0.1020 -0.0110 0.0140 -0.0020 372 ILE A N 2803 C CA . ILE A 372 ? 0.0799 0.0580 0.0958 -0.0098 0.0165 -0.0013 372 ILE A CA 2804 C C . ILE A 372 ? 0.0726 0.0625 0.0894 -0.0103 0.0123 -0.0034 372 ILE A C 2805 O O . ILE A 372 ? 0.0842 0.0560 0.0991 -0.0091 0.0291 -0.0050 372 ILE A O 2806 C CB . ILE A 372 ? 0.0896 0.0695 0.0984 -0.0104 0.0130 0.0053 372 ILE A CB 2807 C CG1 . ILE A 372 ? 0.0881 0.0730 0.1217 -0.0127 0.0203 0.0084 372 ILE A CG1 2808 C CG2 . ILE A 372 ? 0.0860 0.0669 0.1270 -0.0078 0.0136 0.0005 372 ILE A CG2 2809 C CD1 . ILE A 372 ? 0.1124 0.0989 0.1314 -0.0116 0.0185 0.0386 372 ILE A CD1 2810 N N . VAL A 373 ? 0.0698 0.0557 0.0969 -0.0088 0.0150 -0.0061 373 VAL A N 2811 C CA . VAL A 373 ? 0.0743 0.0514 0.0896 -0.0068 0.0163 -0.0044 373 VAL A CA 2812 C C . VAL A 373 ? 0.0727 0.0522 0.0949 -0.0081 0.0156 -0.0017 373 VAL A C 2813 O O . VAL A 373 ? 0.0785 0.0714 0.1192 -0.0024 0.0100 -0.0219 373 VAL A O 2814 C CB . VAL A 373 ? 0.0887 0.0706 0.0913 -0.0077 0.0181 -0.0014 373 VAL A CB 2815 C CG1 . VAL A 373 ? 0.1028 0.0746 0.1234 -0.0145 0.0279 0.0093 373 VAL A CG1 2816 C CG2 . VAL A 373 ? 0.1017 0.0979 0.1083 -0.0062 -0.0017 0.0095 373 VAL A CG2 2817 N N . ILE A 374 ? 0.0723 0.0559 0.0921 -0.0047 0.0146 -0.0010 374 ILE A N 2818 C CA . ILE A 374 ? 0.0724 0.0593 0.0930 0.0019 0.0144 0.0024 374 ILE A CA 2819 C C . ILE A 374 ? 0.0737 0.0588 0.0926 0.0015 0.0058 0.0125 374 ILE A C 2820 O O . ILE A 374 ? 0.0976 0.0624 0.1306 0.0000 0.0313 0.0202 374 ILE A O 2821 C CB . ILE A 374 ? 0.0888 0.0601 0.0982 -0.0036 0.0095 0.0001 374 ILE A CB 2822 C CG1 . ILE A 374 ? 0.0876 0.0761 0.0951 -0.0088 0.0133 0.0019 374 ILE A CG1 2823 C CG2 . ILE A 374 ? 0.0901 0.1035 0.1079 -0.0054 0.0081 -0.0105 374 ILE A CG2 2824 C CD1 . ILE A 374 ? 0.1415 0.0887 0.0895 -0.0076 0.0260 0.0101 374 ILE A CD1 2825 N N . GLY A 375 ? 0.0742 0.0595 0.0844 -0.0056 0.0088 0.0061 375 GLY A N 2826 C CA . GLY A 375 ? 0.0826 0.0746 0.0737 -0.0026 0.0061 0.0062 375 GLY A CA 2827 C C . GLY A 375 ? 0.0759 0.0561 0.0672 -0.0045 0.0065 0.0023 375 GLY A C 2828 O O . GLY A 375 ? 0.0875 0.0694 0.0657 -0.0128 0.0076 0.0046 375 GLY A O 2829 N N . GLY A 376 ? 0.0799 0.0764 0.0561 -0.0081 0.0020 0.0011 376 GLY A N 2830 C CA . GLY A 376 ? 0.0882 0.0821 0.0753 -0.0249 0.0057 0.0112 376 GLY A CA 2831 C C . GLY A 376 ? 0.0760 0.0891 0.0725 -0.0221 0.0070 0.0034 376 GLY A C 2832 O O . GLY A 376 ? 0.0830 0.0864 0.0748 -0.0215 0.0047 0.0006 376 GLY A O 2833 N N . HIS A 377 ? 0.0810 0.0910 0.0727 -0.0095 -0.0003 -0.0021 377 HIS A N 2834 C CA . HIS A 377 ? 0.0849 0.0962 0.0821 -0.0008 0.0012 -0.0034 377 HIS A CA 2835 C C . HIS A 377 ? 0.0773 0.0754 0.0811 0.0020 0.0025 -0.0037 377 HIS A C 2836 O O . HIS A 377 ? 0.0823 0.1084 0.0835 0.0025 0.0006 -0.0059 377 HIS A O 2837 C CB . HIS A 377 ? 0.1075 0.0972 0.0911 -0.0006 0.0069 -0.0131 377 HIS A CB 2838 C CG . HIS A 377 ? 0.1089 0.1120 0.1103 0.0094 0.0053 -0.0114 377 HIS A CG 2839 N ND1 . HIS A 377 ? 0.1400 0.1298 0.1875 0.0258 0.0256 0.0048 377 HIS A ND1 2840 C CD2 . HIS A 377 ? 0.1399 0.1136 0.1420 0.0143 0.0129 0.0041 377 HIS A CD2 2841 C CE1 . HIS A 377 ? 0.1288 0.1128 0.1918 0.0146 0.0052 0.0057 377 HIS A CE1 2842 N NE2 . HIS A 377 ? 0.1457 0.1092 0.1798 0.0129 -0.0075 0.0016 377 HIS A NE2 2843 N N . GLN A 378 ? 0.0739 0.0711 0.0749 -0.0120 0.0020 0.0007 378 GLN A N 2844 C CA . GLN A 378 ? 0.0791 0.0748 0.0765 -0.0069 0.0014 0.0037 378 GLN A CA 2845 C C . GLN A 378 ? 0.0848 0.0787 0.0731 -0.0144 0.0016 0.0058 378 GLN A C 2846 O O . GLN A 378 ? 0.1541 0.1053 0.0729 -0.0438 0.0112 0.0047 378 GLN A O 2847 C CB . GLN A 378 ? 0.0761 0.0720 0.0815 -0.0108 0.0060 0.0029 378 GLN A CB 2848 C CG . GLN A 378 ? 0.0879 0.0758 0.0954 -0.0181 -0.0052 0.0090 378 GLN A CG 2849 C CD . GLN A 378 ? 0.0848 0.0667 0.0969 -0.0132 -0.0017 0.0044 378 GLN A CD 2850 O OE1 . GLN A 378 ? 0.0901 0.0754 0.0912 0.0006 -0.0003 -0.0040 378 GLN A OE1 2851 N NE2 . GLN A 378 ? 0.1087 0.0685 0.1255 -0.0038 -0.0128 -0.0076 378 GLN A NE2 2852 N N . LEU A 379 ? 0.0747 0.0697 0.0690 -0.0088 0.0083 -0.0019 379 LEU A N 2853 C CA . LEU A 379 ? 0.0800 0.0721 0.0734 -0.0041 0.0060 -0.0034 379 LEU A CA 2854 C C . LEU A 379 ? 0.0801 0.0682 0.0644 0.0005 0.0000 -0.0057 379 LEU A C 2855 O O . LEU A 379 ? 0.0878 0.0751 0.0844 0.0043 -0.0064 -0.0134 379 LEU A O 2856 C CB . LEU A 379 ? 0.0858 0.0773 0.0792 0.0051 0.0040 0.0000 379 LEU A CB 2857 C CG . LEU A 379 ? 0.0864 0.0864 0.0877 0.0053 -0.0012 -0.0105 379 LEU A CG 2858 C CD1 . LEU A 379 ? 0.1133 0.1363 0.1043 0.0278 -0.0015 0.0130 379 LEU A CD1 2859 C CD2 . LEU A 379 ? 0.0945 0.1331 0.0936 0.0278 0.0014 -0.0049 379 LEU A CD2 2860 N N . GLU A 380 ? 0.0764 0.0633 0.0666 -0.0001 0.0045 -0.0001 380 GLU A N 2861 C CA . GLU A 380 ? 0.0764 0.0661 0.0713 -0.0006 0.0024 0.0017 380 GLU A CA 2862 C C . GLU A 380 ? 0.0775 0.0683 0.0718 -0.0041 0.0059 0.0016 380 GLU A C 2863 O O . GLU A 380 ? 0.0896 0.0679 0.0698 -0.0074 0.0012 0.0023 380 GLU A O 2864 C CB . GLU A 380 ? 0.0742 0.0770 0.0793 0.0066 0.0046 0.0006 380 GLU A CB 2865 C CG . GLU A 380 ? 0.0720 0.0832 0.0759 -0.0013 0.0076 0.0012 380 GLU A CG 2866 C CD . GLU A 380 ? 0.0871 0.0878 0.0813 -0.0050 0.0050 0.0035 380 GLU A CD 2867 O OE1 . GLU A 380 ? 0.1229 0.0929 0.0880 0.0137 0.0045 -0.0044 380 GLU A OE1 2868 O OE2 . GLU A 380 ? 0.1074 0.1031 0.0793 0.0018 0.0094 0.0020 380 GLU A OE2 2869 N N . ASP A 381 ? 0.0769 0.0645 0.0752 -0.0042 0.0000 0.0039 381 ASP A N 2870 C CA . ASP A 381 ? 0.0833 0.0737 0.0801 -0.0029 -0.0116 0.0054 381 ASP A CA 2871 C C . ASP A 381 ? 0.0963 0.0657 0.0757 -0.0035 -0.0091 0.0023 381 ASP A C 2872 O O . ASP A 381 ? 0.1109 0.1130 0.0784 0.0100 -0.0100 0.0095 381 ASP A O 2873 C CB . ASP A 381 ? 0.0960 0.0812 0.0866 0.0055 -0.0070 0.0054 381 ASP A CB 2874 C CG . ASP A 381 ? 0.0917 0.0897 0.0914 0.0070 -0.0090 0.0036 381 ASP A CG 2875 O OD1 . ASP A 381 ? 0.1065 0.0998 0.1090 -0.0008 0.0074 -0.0022 381 ASP A OD1 2876 O OD2 . ASP A 381 ? 0.1258 0.0964 0.1160 0.0055 0.0141 -0.0021 381 ASP A OD2 2877 N N . ASN A 382 ? 0.0965 0.0659 0.0666 0.0062 0.0010 -0.0012 382 ASN A N 2878 C CA . ASN A 382 ? 0.0940 0.0742 0.0742 0.0043 0.0005 -0.0021 382 ASN A CA 2879 C C . ASN A 382 ? 0.0997 0.0683 0.0679 0.0050 -0.0058 -0.0029 382 ASN A C 2880 O O . ASN A 382 ? 0.1770 0.0720 0.0764 0.0191 0.0012 0.0021 382 ASN A O 2881 C CB . ASN A 382 ? 0.0961 0.0825 0.0805 0.0069 0.0053 0.0005 382 ASN A CB 2882 C CG . ASN A 382 ? 0.0951 0.0795 0.0869 -0.0088 0.0005 -0.0042 382 ASN A CG 2883 O OD1 . ASN A 382 ? 0.1403 0.1010 0.1063 -0.0072 0.0324 0.0103 382 ASN A OD1 2884 N ND2 . ASN A 382 ? 0.1096 0.0719 0.1078 -0.0043 0.0161 -0.0047 382 ASN A ND2 2885 N N . LEU A 383 ? 0.0800 0.0643 0.0689 -0.0004 0.0005 0.0010 383 LEU A N 2886 C CA . LEU A 383 ? 0.0875 0.0688 0.0729 0.0054 0.0102 0.0033 383 LEU A CA 2887 C C . LEU A 383 ? 0.0852 0.0545 0.0683 -0.0011 0.0076 -0.0007 383 LEU A C 2888 O O . LEU A 383 ? 0.0950 0.0798 0.0671 0.0043 0.0127 0.0117 383 LEU A O 2889 C CB . LEU A 383 ? 0.0934 0.0766 0.0917 -0.0106 0.0113 -0.0105 383 LEU A CB 2890 C CG . LEU A 383 ? 0.1446 0.0812 0.1244 -0.0213 0.0502 -0.0110 383 LEU A CG 2891 C CD1 . LEU A 383 ? 0.1419 0.1309 0.2445 -0.0205 0.0246 0.0117 383 LEU A CD1 2892 C CD2 . LEU A 383 ? 0.1117 0.0730 0.0799 -0.0059 0.0007 -0.0076 383 LEU A CD2 2893 N N . VAL A 384 ? 0.0840 0.0603 0.0569 -0.0077 0.0057 -0.0009 384 VAL A N 2894 C CA . VAL A 384 ? 0.0840 0.0667 0.0587 -0.0182 0.0019 0.0043 384 VAL A CA 2895 C C . VAL A 384 ? 0.0641 0.0692 0.0621 -0.0124 0.0046 0.0033 384 VAL A C 2896 O O . VAL A 384 ? 0.0913 0.0716 0.0730 -0.0062 0.0173 0.0087 384 VAL A O 2897 C CB . VAL A 384 ? 0.1045 0.0799 0.0645 -0.0272 -0.0002 -0.0007 384 VAL A CB 2898 C CG1 . VAL A 384 ? 0.1108 0.1158 0.0821 -0.0381 -0.0125 0.0090 384 VAL A CG1 2899 C CG2 . VAL A 384 ? 0.1513 0.0771 0.1023 -0.0330 -0.0133 -0.0197 384 VAL A CG2 2900 N N . GLN A 385 ? 0.0743 0.0659 0.0590 -0.0094 0.0048 0.0028 385 GLN A N 2901 C CA . GLN A 385 ? 0.0773 0.0668 0.0588 -0.0082 0.0016 0.0045 385 GLN A CA 2902 C C . GLN A 385 ? 0.0799 0.0697 0.0574 -0.0128 0.0027 0.0025 385 GLN A C 2903 O O . GLN A 385 ? 0.0765 0.0912 0.0765 -0.0139 0.0056 0.0263 385 GLN A O 2904 C CB . GLN A 385 ? 0.0869 0.0807 0.0572 -0.0061 -0.0041 0.0008 385 GLN A CB 2905 C CG . GLN A 385 ? 0.0937 0.0736 0.0627 -0.0140 -0.0017 0.0043 385 GLN A CG 2906 C CD . GLN A 385 ? 0.0969 0.0849 0.0662 -0.0150 0.0018 -0.0041 385 GLN A CD 2907 O OE1 . GLN A 385 ? 0.1097 0.1200 0.0639 -0.0283 0.0102 -0.0049 385 GLN A OE1 2908 N NE2 . GLN A 385 ? 0.1103 0.0964 0.0623 -0.0254 -0.0012 -0.0126 385 GLN A NE2 2909 N N . PHE A 386 ? 0.0743 0.0736 0.0624 -0.0106 0.0068 0.0123 386 PHE A N 2910 C CA . PHE A 386 ? 0.0778 0.0754 0.0734 -0.0109 0.0014 0.0183 386 PHE A CA 2911 C C . PHE A 386 ? 0.0749 0.0807 0.0961 -0.0067 0.0100 0.0126 386 PHE A C 2912 O O . PHE A 386 ? 0.0864 0.0797 0.1068 -0.0079 0.0212 0.0203 386 PHE A O 2913 C CB . PHE A 386 ? 0.0871 0.0932 0.0793 -0.0078 -0.0093 0.0230 386 PHE A CB 2914 C CG . PHE A 386 ? 0.1084 0.0889 0.0697 -0.0092 -0.0218 0.0191 386 PHE A CG 2915 C CD1 . PHE A 386 ? 0.1176 0.1017 0.0888 -0.0160 -0.0274 0.0206 386 PHE A CD1 2916 C CD2 . PHE A 386 ? 0.1194 0.1189 0.0657 -0.0052 -0.0045 0.0136 386 PHE A CD2 2917 C CE1 . PHE A 386 ? 0.1471 0.0990 0.1049 -0.0194 -0.0432 0.0038 386 PHE A CE1 2918 C CE2 . PHE A 386 ? 0.1284 0.1329 0.0642 0.0022 -0.0023 0.0052 386 PHE A CE2 2919 C CZ . PHE A 386 ? 0.1565 0.1085 0.0821 0.0014 -0.0242 0.0062 386 PHE A CZ 2920 N N . ASP A 387 ? 0.1015 0.0863 0.1099 -0.0169 0.0309 0.0020 387 ASP A N 2921 C CA . ASP A 387 ? 0.1286 0.1003 0.1235 -0.0325 0.0460 -0.0138 387 ASP A CA 2922 C C . ASP A 387 ? 0.1232 0.0832 0.1783 -0.0106 0.0674 -0.0029 387 ASP A C 2923 O O . ASP A 387 ? 0.1234 0.1043 0.2136 -0.0067 0.0885 0.0111 387 ASP A O 2924 C CB . ASP A 387 ? 0.1572 0.1377 0.1301 -0.0350 0.0392 -0.0207 387 ASP A CB 2925 C CG . ASP A 387 ? 0.2020 0.1740 0.1671 -0.0073 0.0620 -0.0612 387 ASP A CG 2926 O OD1 . ASP A 387 ? 0.2504 0.1490 0.1919 -0.0311 0.0878 -0.0579 387 ASP A OD1 2927 O OD2 . ASP A 387 ? 0.2538 0.3063 0.2081 0.0334 0.0041 -0.1376 387 ASP A OD2 2928 N N . LEU A 388 ? 0.1178 0.1180 0.2279 -0.0103 0.0757 0.0280 388 LEU A N 2929 C CA . LEU A 388 ? 0.1291 0.1385 0.3062 0.0010 0.0603 0.0713 388 LEU A CA 2930 C C . LEU A 388 ? 0.1699 0.1781 0.3461 0.0099 0.1164 0.0597 388 LEU A C 2931 O O . LEU A 388 ? 0.1950 0.3103 0.4630 0.0586 0.1672 0.0692 388 LEU A O 2932 C CB . LEU A 388 ? 0.1275 0.1529 0.2809 0.0031 0.0194 0.0670 388 LEU A CB 2933 C CG . LEU A 388 ? 0.1891 0.1687 0.2677 0.0389 -0.0182 0.0407 388 LEU A CG 2934 C CD1 . LEU A 388 ? 0.1866 0.2065 0.2291 0.0159 -0.0257 -0.0032 388 LEU A CD1 2935 C CD2 . LEU A 388 ? 0.2551 0.2043 0.2445 0.0116 -0.0440 0.0273 388 LEU A CD2 2936 N N . ALA A 389 ? 0.2158 0.1234 0.3751 0.0115 0.1634 0.0045 389 ALA A N 2937 C CA . ALA A 389 ? 0.3087 0.1175 0.4817 -0.0289 0.2104 -0.0355 389 ALA A CA 2938 C C . ALA A 389 ? 0.3068 0.1299 0.4929 -0.0048 0.2681 -0.0807 389 ALA A C 2939 O O . ALA A 389 ? 0.4312 0.1421 0.9100 0.0301 0.5021 -0.0483 389 ALA A O 2940 C CB . ALA A 389 ? 0.3726 0.1711 0.4750 -0.0816 0.2290 -0.0527 389 ALA A CB 2941 N N . THR A 390 ? 0.2142 0.1203 0.4281 -0.0624 0.2166 -0.1143 390 THR A N 2942 C CA . THR A 390 ? 0.1834 0.1763 0.3378 -0.0368 0.1354 -0.1395 390 THR A CA 2943 C C . THR A 390 ? 0.1563 0.1329 0.2070 -0.0206 0.1063 -0.0523 390 THR A C 2944 O O . THR A 390 ? 0.2030 0.1571 0.1504 -0.0214 0.0792 -0.0452 390 THR A O 2945 C CB . THR A 390 ? 0.2425 0.2705 0.2618 -0.0899 0.0983 -0.1301 390 THR A CB 2946 O OG1 . THR A 390 ? 0.2436 0.3374 0.2561 -0.0516 0.0887 -0.0865 390 THR A OG1 2947 C CG2 . THR A 390 ? 0.3596 0.3544 0.3818 -0.1402 0.0655 -0.2099 390 THR A CG2 2948 N N . SER A 391 ? 0.1475 0.0889 0.1932 0.0089 0.0951 -0.0213 391 SER A N 2949 C CA . SER A 391 ? 0.1194 0.0976 0.1431 0.0171 0.0494 -0.0025 391 SER A CA 2950 C C . SER A 391 ? 0.0968 0.0856 0.0994 -0.0047 0.0288 -0.0148 391 SER A C 2951 O O . SER A 391 ? 0.1082 0.0958 0.0999 -0.0086 0.0408 -0.0103 391 SER A O 2952 C CB . SER A 391 ? 0.1286 0.1353 0.2084 0.0248 0.0388 0.0170 391 SER A CB 2953 O OG . SER A 391 ? 0.1538 0.1732 0.3290 0.0547 0.0407 0.0555 391 SER A OG 2954 N N . ARG A 392 ? 0.0991 0.0831 0.0921 -0.0085 0.0239 -0.0073 392 ARG A N 2955 C CA . ARG A 392 ? 0.1012 0.0827 0.0886 -0.0089 0.0261 -0.0032 392 ARG A CA 2956 C C . ARG A 392 ? 0.0848 0.0817 0.0795 -0.0086 0.0130 0.0044 392 ARG A C 2957 O O . ARG A 392 ? 0.1006 0.0758 0.1007 -0.0080 0.0297 0.0053 392 ARG A O 2958 C CB . ARG A 392 ? 0.1582 0.1437 0.0838 0.0101 0.0318 -0.0014 392 ARG A CB 2959 C CG . ARG A 392 ? 0.1934 0.1857 0.1779 0.0077 0.0145 0.0043 392 ARG A CG 2960 C CD . ARG A 392 ? 0.2301 0.2433 0.1981 0.0111 -0.0190 0.0118 392 ARG A CD 2961 N NE . ARG A 392 ? 0.3085 0.2417 0.1907 -0.0421 0.0044 -0.0257 392 ARG A NE 2962 C CZ . ARG A 392 ? 0.2666 0.3133 0.2221 -0.0539 0.0068 -0.0472 392 ARG A CZ 2963 N NH1 . ARG A 392 ? 0.2997 0.2794 0.2374 -0.0432 -0.1048 0.0140 392 ARG A NH1 2964 N NH2 . ARG A 392 ? 0.2647 0.2520 0.3988 -0.0316 -0.0365 -0.0197 392 ARG A NH2 2965 N N . VAL A 393 ? 0.0734 0.0810 0.0766 -0.0183 0.0115 0.0054 393 VAL A N 2966 C CA . VAL A 393 ? 0.0784 0.0725 0.0669 -0.0138 0.0101 0.0035 393 VAL A CA 2967 C C . VAL A 393 ? 0.0777 0.0704 0.0624 -0.0086 0.0123 0.0034 393 VAL A C 2968 O O . VAL A 393 ? 0.0955 0.0883 0.0716 -0.0226 0.0051 0.0171 393 VAL A O 2969 C CB . VAL A 393 ? 0.0893 0.0811 0.0673 -0.0135 -0.0016 0.0020 393 VAL A CB 2970 C CG1 . VAL A 393 ? 0.1034 0.1068 0.0822 -0.0102 0.0042 -0.0190 393 VAL A CG1 2971 C CG2 . VAL A 393 ? 0.1086 0.1011 0.0768 -0.0093 -0.0100 0.0092 393 VAL A CG2 2972 N N . GLY A 394 ? 0.0781 0.0680 0.0622 -0.0138 0.0068 0.0148 394 GLY A N 2973 C CA . GLY A 394 ? 0.0842 0.0767 0.0632 -0.0078 0.0022 0.0067 394 GLY A CA 2974 C C . GLY A 394 ? 0.0711 0.0789 0.0645 -0.0128 0.0038 0.0097 394 GLY A C 2975 O O . GLY A 394 ? 0.0978 0.0886 0.0770 -0.0058 0.0225 0.0204 394 GLY A O 2976 N N . PHE A 395 ? 0.0928 0.0763 0.0532 -0.0037 0.0061 0.0042 395 PHE A N 2977 C CA . PHE A 395 ? 0.0940 0.0770 0.0516 -0.0052 0.0074 0.0029 395 PHE A CA 2978 C C . PHE A 395 ? 0.0889 0.0675 0.0651 -0.0117 0.0016 0.0013 395 PHE A C 2979 O O . PHE A 395 ? 0.1058 0.0799 0.0623 -0.0081 0.0006 0.0074 395 PHE A O 2980 C CB . PHE A 395 ? 0.1025 0.0898 0.0691 -0.0025 -0.0040 -0.0067 395 PHE A CB 2981 C CG . PHE A 395 ? 0.1073 0.0838 0.0748 -0.0145 -0.0051 -0.0214 395 PHE A CG 2982 C CD1 . PHE A 395 ? 0.1065 0.0924 0.1127 -0.0192 -0.0039 -0.0198 395 PHE A CD1 2983 C CD2 . PHE A 395 ? 0.1111 0.0845 0.0831 -0.0128 0.0086 -0.0154 395 PHE A CD2 2984 C CE1 . PHE A 395 ? 0.1111 0.1185 0.1367 -0.0265 0.0166 -0.0284 395 PHE A CE1 2985 C CE2 . PHE A 395 ? 0.1340 0.0811 0.1041 -0.0251 0.0172 -0.0217 395 PHE A CE2 2986 C CZ . PHE A 395 ? 0.1210 0.1179 0.1312 -0.0371 0.0336 -0.0249 395 PHE A CZ 2987 N N . SER A 396 ? 0.0939 0.0785 0.0598 -0.0073 -0.0003 -0.0007 396 SER A N 2988 C CA . SER A 396 ? 0.1028 0.0958 0.0657 0.0014 -0.0001 0.0053 396 SER A CA 2989 C C . SER A 396 ? 0.0968 0.0988 0.0788 -0.0011 0.0054 0.0199 396 SER A C 2990 O O . SER A 396 ? 0.1220 0.1211 0.0984 0.0045 -0.0126 0.0271 396 SER A O 2991 C CB . SER A 396 ? 0.1068 0.0797 0.0674 -0.0046 0.0000 0.0016 396 SER A CB 2992 O OG . SER A 396 ? 0.1022 0.0833 0.0701 0.0026 0.0059 0.0072 396 SER A OG 2993 N N . GLY A 397 ? 0.0847 0.0880 0.0981 -0.0001 0.0072 0.0158 397 GLY A N 2994 C CA . GLY A 397 ? 0.1083 0.0774 0.1128 -0.0002 0.0052 0.0219 397 GLY A CA 2995 C C . GLY A 397 ? 0.1063 0.0811 0.1083 0.0033 0.0007 0.0131 397 GLY A C 2996 O O . GLY A 397 ? 0.1124 0.0758 0.1200 0.0048 0.0215 0.0074 397 GLY A O 2997 N N . THR A 398 ? 0.1055 0.0751 0.1024 -0.0038 -0.0036 0.0087 398 THR A N 2998 C CA . THR A 398 ? 0.1026 0.0777 0.0966 -0.0009 -0.0077 0.0047 398 THR A CA 2999 C C . THR A 398 ? 0.1033 0.0841 0.0856 0.0053 -0.0083 0.0087 398 THR A C 3000 O O . THR A 398 ? 0.1504 0.1075 0.0945 -0.0130 -0.0242 0.0155 398 THR A O 3001 C CB . THR A 398 ? 0.1153 0.0942 0.0976 0.0098 -0.0208 -0.0060 398 THR A CB 3002 O OG1 . THR A 398 ? 0.1005 0.1052 0.1232 0.0104 -0.0147 -0.0272 398 THR A OG1 3003 C CG2 . THR A 398 ? 0.1441 0.0859 0.1372 0.0180 -0.0184 0.0056 398 THR A CG2 3004 N N . LEU A 399 ? 0.1040 0.0823 0.0808 0.0044 -0.0136 0.0032 399 LEU A N 3005 C CA . LEU A 399 ? 0.1097 0.0885 0.0908 0.0049 -0.0196 0.0056 399 LEU A CA 3006 C C . LEU A 399 ? 0.1042 0.0941 0.0899 0.0000 -0.0173 0.0065 399 LEU A C 3007 O O . LEU A 399 ? 0.1201 0.1087 0.0996 -0.0053 -0.0313 0.0112 399 LEU A O 3008 C CB . LEU A 399 ? 0.1265 0.0850 0.0989 -0.0038 -0.0241 -0.0002 399 LEU A CB 3009 C CG . LEU A 399 ? 0.1770 0.0965 0.1159 0.0112 -0.0194 -0.0012 399 LEU A CG 3010 C CD1 . LEU A 399 ? 0.2018 0.1133 0.1678 0.0091 -0.0080 0.0449 399 LEU A CD1 3011 C CD2 . LEU A 399 ? 0.1950 0.1150 0.1477 0.0087 0.0004 -0.0065 399 LEU A CD2 3012 N N . LEU A 400 ? 0.1111 0.0982 0.1027 0.0113 -0.0323 0.0016 400 LEU A N 3013 C CA A LEU A 400 ? 0.1141 0.0993 0.1141 0.0154 -0.0256 0.0087 400 LEU A CA 3014 C CA B LEU A 400 ? 0.1141 0.1002 0.1156 0.0152 -0.0263 0.0105 400 LEU A CA 3015 C C . LEU A 400 ? 0.1668 0.0987 0.1255 0.0113 -0.0352 0.0200 400 LEU A C 3016 O O . LEU A 400 ? 0.2111 0.1349 0.1473 0.0280 -0.0722 0.0204 400 LEU A O 3017 C CB A LEU A 400 ? 0.1117 0.0960 0.1248 0.0181 -0.0236 0.0084 400 LEU A CB 3018 C CB B LEU A 400 ? 0.1101 0.1069 0.1244 0.0265 -0.0292 0.0032 400 LEU A CB 3019 C CG A LEU A 400 ? 0.1212 0.1213 0.1207 0.0100 -0.0040 -0.0078 400 LEU A CG 3020 C CG B LEU A 400 ? 0.1371 0.1425 0.1423 -0.0151 -0.0046 -0.0015 400 LEU A CG 3021 C CD1 A LEU A 400 ? 0.1711 0.1427 0.1560 -0.0002 0.0106 -0.0303 400 LEU A CD1 3022 C CD1 B LEU A 400 ? 0.1134 0.1619 0.1409 -0.0020 -0.0222 0.0128 400 LEU A CD1 3023 C CD2 A LEU A 400 ? 0.1135 0.1598 0.1222 0.0046 -0.0139 -0.0121 400 LEU A CD2 3024 C CD2 B LEU A 400 ? 0.1757 0.1635 0.1642 -0.0017 -0.0034 -0.0344 400 LEU A CD2 3025 N N . GLY A 401 ? 0.1794 0.1080 0.1203 -0.0021 -0.0290 0.0194 401 GLY A N 3026 C CA . GLY A 401 ? 0.2035 0.1417 0.1341 -0.0147 -0.0172 0.0356 401 GLY A CA 3027 C C . GLY A 401 ? 0.2684 0.1493 0.1159 -0.0348 -0.0430 0.0374 401 GLY A C 3028 O O . GLY A 401 ? 0.3559 0.2040 0.1475 -0.0573 -0.0928 0.0690 401 GLY A O 3029 N N . SER A 402 ? 0.2422 0.1264 0.1081 -0.0173 -0.0297 0.0276 402 SER A N 3030 C CA . SER A 402 ? 0.2299 0.1638 0.1343 -0.0163 -0.0532 0.0001 402 SER A CA 3031 C C . SER A 402 ? 0.2224 0.1574 0.1328 -0.0131 -0.0576 0.0516 402 SER A C 3032 O O . SER A 402 ? 0.2554 0.1953 0.1605 -0.0384 -0.0885 0.0344 402 SER A O 3033 C CB . SER A 402 ? 0.2377 0.1663 0.1502 -0.0091 -0.0341 0.0000 402 SER A CB 3034 O OG . SER A 402 ? 0.2747 0.1891 0.1785 0.0005 0.0052 -0.0257 402 SER A OG 3035 N N . ARG A 403 ? 0.2151 0.1829 0.1387 0.0091 -0.0631 0.0459 403 ARG A N 3036 C CA . ARG A 403 ? 0.2050 0.1967 0.1725 0.0215 -0.0700 0.0556 403 ARG A CA 3037 C C . ARG A 403 ? 0.1750 0.1928 0.1711 -0.0038 -0.0836 0.0517 403 ARG A C 3038 O O . ARG A 403 ? 0.1661 0.2586 0.2211 -0.0086 -0.0904 0.0691 403 ARG A O 3039 C CB . ARG A 403 ? 0.2051 0.2775 0.1885 0.0487 -0.0709 0.0782 403 ARG A CB 3040 C CG . ARG A 403 ? 0.2923 0.3146 0.2516 0.0564 -0.0872 0.1230 403 ARG A CG 3041 C CD . ARG A 403 ? 0.3685 0.3797 0.3175 0.0636 -0.1167 0.1775 403 ARG A CD 3042 N NE . ARG A 403 ? 0.4034 0.4981 0.5981 0.0736 -0.0496 0.1348 403 ARG A NE 3043 C CZ . ARG A 403 ? 0.4560 0.5890 0.7015 0.1217 -0.0690 0.1683 403 ARG A CZ 3044 N NH1 . ARG A 403 ? 0.5888 0.5395 0.7797 0.0877 -0.1415 0.1301 403 ARG A NH1 3045 N NH2 . ARG A 403 ? 0.5101 0.6534 0.6863 0.0459 -0.0097 0.1279 403 ARG A NH2 3046 N N . THR A 404 ? 0.1596 0.1612 0.1293 -0.0078 -0.0592 0.0453 404 THR A N 3047 C CA . THR A 404 ? 0.1406 0.1658 0.1115 0.0109 -0.0356 0.0385 404 THR A CA 3048 C C . THR A 404 ? 0.1158 0.1352 0.1225 0.0068 -0.0253 0.0336 404 THR A C 3049 O O . THR A 404 ? 0.1447 0.1242 0.1217 0.0003 -0.0285 0.0323 404 THR A O 3050 C CB . THR A 404 ? 0.1543 0.1734 0.0949 -0.0141 -0.0341 0.0209 404 THR A CB 3051 O OG1 . THR A 404 ? 0.1690 0.1568 0.1264 -0.0358 -0.0476 0.0235 404 THR A OG1 3052 C CG2 . THR A 404 ? 0.1565 0.1522 0.1186 -0.0060 -0.0329 0.0117 404 THR A CG2 3053 N N . THR A 405 ? 0.1287 0.1213 0.0999 -0.0021 -0.0267 0.0143 405 THR A N 3054 C CA . THR A 405 ? 0.1123 0.1091 0.0935 -0.0019 -0.0139 0.0156 405 THR A CA 3055 C C . THR A 405 ? 0.0967 0.1079 0.0812 -0.0020 -0.0098 0.0152 405 THR A C 3056 O O . THR A 405 ? 0.1072 0.1119 0.0899 -0.0113 -0.0177 0.0072 405 THR A O 3057 C CB . THR A 405 ? 0.1097 0.1164 0.1082 0.0089 -0.0091 0.0163 405 THR A CB 3058 O OG1 . THR A 405 ? 0.1284 0.1404 0.1532 0.0021 0.0174 0.0138 405 THR A OG1 3059 C CG2 . THR A 405 ? 0.1257 0.1491 0.1533 0.0309 -0.0172 0.0158 405 THR A CG2 3060 N N . CYS A 406 ? 0.0916 0.0884 0.0883 -0.0106 -0.0104 0.0102 406 CYS A N 3061 C CA . CYS A 406 ? 0.0966 0.0994 0.0840 0.0018 0.0031 0.0134 406 CYS A CA 3062 C C . CYS A 406 ? 0.0895 0.1029 0.0984 0.0003 -0.0007 0.0184 406 CYS A C 3063 O O . CYS A 406 ? 0.1512 0.1056 0.1669 0.0026 0.0466 0.0249 406 CYS A O 3064 C CB . CYS A 406 ? 0.0932 0.1066 0.1050 0.0122 0.0053 0.0158 406 CYS A CB 3065 S SG . CYS A 406 ? 0.0947 0.0885 0.0979 -0.0018 -0.0012 0.0118 406 CYS A SG 3066 N N . ALA A 407 ? 0.0928 0.0983 0.0848 -0.0094 0.0010 0.0034 407 ALA A N 3067 C CA . ALA A 407 ? 0.0981 0.1217 0.0971 -0.0108 0.0029 0.0168 407 ALA A CA 3068 C C . ALA A 407 ? 0.0916 0.1315 0.1137 -0.0053 0.0050 0.0119 407 ALA A C 3069 O O . ALA A 407 ? 0.1149 0.2004 0.1329 -0.0481 0.0017 0.0292 407 ALA A O 3070 C CB . ALA A 407 ? 0.1258 0.1610 0.1086 -0.0132 0.0228 -0.0110 407 ALA A CB 3071 N N . ASN A 408 ? 0.0971 0.1477 0.1105 -0.0201 -0.0068 0.0095 408 ASN A N 3072 C CA . ASN A 408 ? 0.0979 0.1415 0.1240 -0.0072 -0.0275 0.0109 408 ASN A CA 3073 C C . ASN A 408 ? 0.1054 0.1463 0.1169 -0.0059 -0.0265 0.0088 408 ASN A C 3074 O O . ASN A 408 ? 0.1322 0.1500 0.1481 0.0073 -0.0557 -0.0053 408 ASN A O 3075 C CB . ASN A 408 ? 0.1233 0.1460 0.1465 -0.0150 -0.0446 0.0292 408 ASN A CB 3076 C CG . ASN A 408 ? 0.1847 0.1730 0.1919 0.0076 -0.0338 0.0058 408 ASN A CG 3077 O OD1 . ASN A 408 ? 0.3093 0.2747 0.2182 0.0839 -0.0198 -0.0234 408 ASN A OD1 3078 N ND2 . ASN A 408 ? 0.2396 0.2541 0.2638 0.0754 -0.0339 0.0731 408 ASN A ND2 3079 N N . PHE A 409 ? 0.1486 0.1700 0.1285 0.0272 -0.0548 -0.0132 409 PHE A N 3080 C CA . PHE A 409 ? 0.1477 0.1650 0.1136 0.0240 -0.0189 0.0162 409 PHE A CA 3081 C C . PHE A 409 ? 0.1404 0.1748 0.1015 0.0248 -0.0108 0.0019 409 PHE A C 3082 O O . PHE A 409 ? 0.1678 0.1913 0.1187 0.0418 -0.0035 -0.0007 409 PHE A O 3083 C CB . PHE A 409 ? 0.1425 0.1846 0.1258 0.0352 -0.0356 -0.0089 409 PHE A CB 3084 C CG . PHE A 409 ? 0.1487 0.1720 0.1023 0.0351 -0.0357 0.0079 409 PHE A CG 3085 C CD1 . PHE A 409 ? 0.1592 0.1834 0.1077 0.0238 -0.0254 0.0089 409 PHE A CD1 3086 C CD2 . PHE A 409 ? 0.1381 0.1950 0.1184 0.0289 -0.0325 0.0204 409 PHE A CD2 3087 C CE1 . PHE A 409 ? 0.1611 0.1928 0.1298 0.0307 -0.0374 -0.0117 409 PHE A CE1 3088 C CE2 . PHE A 409 ? 0.1421 0.1868 0.1463 0.0290 -0.0547 0.0217 409 PHE A CE2 3089 C CZ . PHE A 409 ? 0.1357 0.1889 0.1539 0.0383 -0.0446 -0.0223 409 PHE A CZ 3090 N N . ASN A 410 ? 0.1408 0.1591 0.1124 0.0249 -0.0144 0.0120 410 ASN A N 3091 C CA . ASN A 410 ? 0.1413 0.1884 0.1305 0.0281 -0.0092 0.0300 410 ASN A CA 3092 C C . ASN A 410 ? 0.1449 0.1594 0.1254 0.0212 -0.0130 0.0171 410 ASN A C 3093 O O . ASN A 410 ? 0.1780 0.1663 0.1335 0.0208 -0.0192 -0.0035 410 ASN A O 3094 C CB . ASN A 410 ? 0.1359 0.2037 0.1581 0.0244 -0.0336 0.0281 410 ASN A CB 3095 C CG . ASN A 410 ? 0.1522 0.2343 0.2085 -0.0020 -0.0390 0.0209 410 ASN A CG 3096 O OD1 . ASN A 410 ? 0.1664 0.3156 0.2375 -0.0354 -0.0060 0.0302 410 ASN A OD1 3097 N ND2 . ASN A 410 ? 0.1649 0.2991 0.2734 -0.0277 -0.0888 0.0050 410 ASN A ND2 3098 N N . PHE A 411 ? 0.1990 0.1556 0.1276 0.0260 -0.0057 0.0132 411 PHE A N 3099 C CA . PHE A 411 ? 0.1385 0.1529 0.1368 0.0071 -0.0200 0.0082 411 PHE A CA 3100 C C . PHE A 411 ? 0.1356 0.1522 0.1623 0.0234 -0.0008 0.0198 411 PHE A C 3101 O O . PHE A 411 ? 0.1802 0.1726 0.1982 0.0388 0.0283 0.0231 411 PHE A O 3102 C CB . PHE A 411 ? 0.1510 0.1478 0.1216 -0.0034 0.0061 0.0122 411 PHE A CB 3103 C CG . PHE A 411 ? 0.1221 0.1413 0.1244 -0.0239 -0.0052 0.0065 411 PHE A CG 3104 C CD1 . PHE A 411 ? 0.1316 0.1636 0.1159 -0.0133 -0.0181 -0.0082 411 PHE A CD1 3105 C CD2 . PHE A 411 ? 0.1411 0.1783 0.1339 -0.0118 -0.0008 0.0095 411 PHE A CD2 3106 C CE1 . PHE A 411 ? 0.1366 0.1685 0.1446 -0.0034 -0.0279 -0.0051 411 PHE A CE1 3107 C CE2 . PHE A 411 ? 0.1213 0.1800 0.1461 -0.0394 0.0053 0.0148 411 PHE A CE2 3108 C CZ . PHE A 411 ? 0.1528 0.1501 0.1370 -0.0244 -0.0311 0.0127 411 PHE A CZ 3109 N N . THR A 412 ? 0.1267 0.1500 0.1543 0.0017 0.0007 0.0070 412 THR A N 3110 C CA . THR A 412 ? 0.1253 0.1736 0.1965 -0.0068 0.0011 0.0338 412 THR A CA 3111 C C . THR A 412 ? 0.1264 0.1750 0.1876 0.0057 0.0306 0.0331 412 THR A C 3112 O O . THR A 412 ? 0.1291 0.1670 0.1880 0.0129 0.0101 0.0349 412 THR A O 3113 C CB . THR A 412 ? 0.1169 0.2099 0.2880 -0.0098 -0.0356 0.0581 412 THR A CB 3114 O OG1 . THR A 412 ? 0.2107 0.2354 0.2924 -0.0389 -0.0682 0.0690 412 THR A OG1 3115 C CG2 . THR A 412 ? 0.1537 0.2802 0.3118 -0.0486 -0.0192 0.0689 412 THR A CG2 3116 N N . SER A 413 ? 0.1600 0.2271 0.1874 0.0183 0.0477 0.0338 413 SER A N 3117 C CA . SER A 413 ? 0.1851 0.2039 0.1858 -0.0177 0.0287 0.0442 413 SER A CA 3118 C C . SER A 413 ? 0.1946 0.2201 0.2380 -0.0229 0.0313 0.0322 413 SER A C 3119 O O . SER A 413 ? 0.2604 0.2293 0.2421 -0.0301 0.0096 0.0710 413 SER A O 3120 C CB . SER A 413 ? 0.2100 0.2577 0.2199 -0.0025 0.0081 -0.0178 413 SER A CB 3121 O OG . SER A 413 ? 0.3621 0.2817 0.2337 -0.0495 0.0219 -0.0311 413 SER A OG 3122 O OXT . SER A 413 ? 0.2092 0.3385 0.3273 -0.0688 0.0055 0.0572 413 SER A OXT 3123 C C1 . NAG B . ? 0.1164 0.2798 0.2275 -0.0468 -0.0563 0.0172 601 NAG A C1 3124 C C2 . NAG B . ? 0.1222 0.4186 0.2844 -0.0648 -0.0561 -0.0394 601 NAG A C2 3125 C C3 . NAG B . ? 0.1308 0.5548 0.3890 0.0070 -0.0851 -0.0930 601 NAG A C3 3126 C C4 . NAG B . ? 0.1310 0.6767 0.3323 0.0023 -0.1149 -0.0218 601 NAG A C4 3127 C C5 . NAG B . ? 0.1979 0.4367 0.3320 0.0920 -0.0538 0.0548 601 NAG A C5 3128 C C6 . NAG B . ? 0.3380 0.5140 0.4459 0.1258 -0.0700 0.1787 601 NAG A C6 3129 C C7 . NAG B . ? 0.2047 0.3245 0.5269 -0.1290 0.1221 -0.0399 601 NAG A C7 3130 C C8 . NAG B . ? 0.6160 0.3413 0.6844 -0.1287 0.2313 0.0490 601 NAG A C8 3131 N N2 . NAG B . ? 0.2276 0.3268 0.3923 -0.1091 0.0396 -0.0763 601 NAG A N2 3132 O O3 . NAG B . ? 0.1830 0.6788 0.4706 -0.1553 -0.1659 -0.1602 601 NAG A O3 3133 O O4 . NAG B . ? 0.2192 0.9565 0.3788 0.1065 -0.1243 -0.0114 601 NAG A O4 3134 O O5 . NAG B . ? 0.1269 0.3524 0.2604 -0.0127 -0.0532 0.0989 601 NAG A O5 3135 O O6 . NAG B . ? 0.3018 0.6672 0.3889 0.0701 -0.0801 0.1888 601 NAG A O6 3136 O O7 . NAG B . ? 0.3633 0.3527 0.6471 -0.0890 0.2714 -0.0456 601 NAG A O7 3137 C C1 . NAG C . ? 0.3729 0.2198 0.3578 0.0749 0.0574 0.0461 701 NAG A C1 3138 C C2 . NAG C . ? 0.3798 0.2122 0.2739 0.0703 0.0664 0.0554 701 NAG A C2 3139 C C3 . NAG C . ? 0.4858 0.2278 0.2951 0.0531 0.0906 0.0515 701 NAG A C3 3140 C C4 . NAG C . ? 0.4824 0.3092 0.3365 0.0013 0.0325 0.1749 701 NAG A C4 3141 C C5 . NAG C . ? 0.4211 0.3015 0.3862 -0.0066 0.0648 0.1358 701 NAG A C5 3142 C C6 . NAG C . ? 0.4379 0.4165 0.4233 0.0192 -0.0155 0.1094 701 NAG A C6 3143 C C7 . NAG C . ? 0.3847 0.3109 0.2565 0.1504 0.0452 0.0180 701 NAG A C7 3144 C C8 . NAG C . ? 0.3911 0.3678 0.2553 0.0693 0.0705 -0.1183 701 NAG A C8 3145 N N2 . NAG C . ? 0.3858 0.2801 0.2245 0.1479 0.0538 0.0529 701 NAG A N2 3146 O O3 . NAG C . ? 0.4478 0.2344 0.4960 0.0473 0.0430 0.0518 701 NAG A O3 3147 O O4 . NAG C . ? 0.6402 0.3264 0.3997 0.0637 0.1541 0.1838 701 NAG A O4 3148 O O5 . NAG C . ? 0.3477 0.2957 0.3957 0.0716 0.0639 0.1741 701 NAG A O5 3149 O O6 . NAG C . ? 0.4117 0.5245 0.3801 -0.0107 0.0097 0.0800 701 NAG A O6 3150 O O7 . NAG C . ? 0.4045 0.4656 0.5441 0.0606 0.0031 -0.0193 701 NAG A O7 3151 C C1 . NAG D . ? 0.1868 0.3302 0.3457 -0.0555 -0.0665 -0.0402 801 NAG A C1 3152 C C2 . NAG D . ? 0.1795 0.3738 0.3828 -0.0300 -0.0722 -0.0284 801 NAG A C2 3153 C C3 . NAG D . ? 0.2010 0.4390 0.4645 -0.0766 -0.0469 -0.0274 801 NAG A C3 3154 C C4 . NAG D . ? 0.2635 0.4351 0.4756 -0.0675 -0.1291 -0.0848 801 NAG A C4 3155 C C5 . NAG D . ? 0.2468 0.3761 0.4110 -0.0600 -0.0802 -0.0436 801 NAG A C5 3156 C C6 . NAG D . ? 0.4028 0.4470 0.4888 -0.0368 -0.0510 -0.1120 801 NAG A C6 3157 C C7 . NAG D . ? 0.2362 0.3803 0.4812 -0.0472 0.0758 -0.0286 801 NAG A C7 3158 C C8 . NAG D . ? 0.3388 0.3043 0.5798 -0.0042 0.1123 -0.0417 801 NAG A C8 3159 N N2 . NAG D . ? 0.2135 0.4113 0.3984 -0.0284 -0.0511 -0.0301 801 NAG A N2 3160 O O3 . NAG D . ? 0.2768 0.3859 0.6297 -0.0590 -0.1337 -0.0111 801 NAG A O3 3161 O O4 . NAG D . ? 0.2668 0.4440 0.7497 -0.0536 -0.1071 -0.0357 801 NAG A O4 3162 O O5 . NAG D . ? 0.2299 0.3710 0.4302 -0.0312 -0.0489 -0.0923 801 NAG A O5 3163 O O6 . NAG D . ? 0.3544 0.4765 0.5198 -0.1043 -0.0713 -0.1154 801 NAG A O6 3164 O O7 . NAG D . ? 0.2425 0.5307 0.5191 -0.0447 0.0483 0.1000 801 NAG A O7 3165 C C1 . NAG E . ? 0.2075 0.3127 0.2074 0.0352 -0.0196 0.1020 501 NAG A C1 3166 C C2 . NAG E . ? 0.1840 0.3223 0.2046 -0.0353 -0.0441 0.1201 501 NAG A C2 3167 C C3 . NAG E . ? 0.1812 0.2890 0.2218 -0.0805 -0.0217 0.1027 501 NAG A C3 3168 C C4 . NAG E . ? 0.2447 0.3628 0.2050 -0.0579 -0.0681 0.1233 501 NAG A C4 3169 C C5 . NAG E . ? 0.2385 0.3466 0.2571 0.0253 -0.0422 0.1142 501 NAG A C5 3170 C C6 . NAG E . ? 0.2914 0.4282 0.2631 0.0396 -0.0844 0.1279 501 NAG A C6 3171 C C7 . NAG E . ? 0.1455 0.2345 0.2263 -0.0332 -0.0195 0.0621 501 NAG A C7 3172 C C8 . NAG E . ? 0.1498 0.1947 0.3453 -0.0250 0.0350 0.0917 501 NAG A C8 3173 N N2 . NAG E . ? 0.1759 0.2527 0.2118 -0.0424 -0.0427 0.0942 501 NAG A N2 3174 O O3 . NAG E . ? 0.2369 0.3784 0.1719 -0.1577 -0.0076 0.0886 501 NAG A O3 3175 O O4 . NAG E . ? 0.2295 0.3099 0.2141 -0.0371 -0.0700 0.1124 501 NAG A O4 3176 O O5 . NAG E . ? 0.2616 0.3632 0.2134 0.0824 -0.0150 0.1310 501 NAG A O5 3177 O O6 . NAG E . ? 0.4241 0.4186 0.3761 0.0787 -0.0519 0.2048 501 NAG A O6 3178 O O7 . NAG E . ? 0.1745 0.4804 0.2413 0.0342 0.0024 0.1445 501 NAG A O7 3179 O O . HOH F . ? 0.5494 0.3806 0.4332 -0.0897 0.0934 0.1298 414 HOH A O 3180 O O . HOH F . ? 0.3213 0.2216 0.3742 -0.0410 0.0974 0.0246 415 HOH A O 3181 O O . HOH F . ? 0.1157 0.1959 0.1240 -0.0208 -0.0010 0.0086 416 HOH A O 3182 O O . HOH F . ? 0.6588 0.3886 0.4075 -0.0548 0.0030 -0.0244 417 HOH A O 3183 O O . HOH F . ? 0.6018 0.3100 0.4752 -0.0716 0.0655 -0.0228 418 HOH A O 3184 O O . HOH F . ? 0.5617 0.4643 0.2322 -0.0108 -0.0147 0.1219 419 HOH A O 3185 O O . HOH F . ? 0.2486 0.3423 0.4587 0.0239 -0.0005 0.0202 420 HOH A O 3186 O O . HOH F . ? 0.2363 0.3797 0.1708 -0.0184 0.0431 0.1299 421 HOH A O 3187 O O . HOH F . ? 0.4286 0.2727 0.4171 0.0132 -0.0092 -0.0455 422 HOH A O 3188 O O . HOH F . ? 0.3383 0.3324 0.5873 -0.1144 -0.0057 -0.0517 423 HOH A O 3189 O O . HOH F . ? 0.3025 0.4750 0.4084 -0.1629 -0.0020 0.1038 424 HOH A O 3190 O O . HOH F . ? 0.4491 0.3580 0.6180 -0.0600 0.1354 -0.0491 425 HOH A O 3191 O O . HOH F . ? 0.2535 0.2164 0.2116 0.0269 -0.0570 -0.0141 426 HOH A O 3192 O O . HOH F . ? 0.3207 0.4211 0.1889 -0.0259 0.0803 -0.0774 427 HOH A O 3193 O O . HOH F . ? 0.2694 0.3131 0.3291 -0.0383 -0.0625 -0.0441 428 HOH A O 3194 O O . HOH F . ? 0.1820 0.1051 0.0967 0.0157 -0.0291 -0.0151 429 HOH A O 3195 O O . HOH F . ? 0.3748 0.2808 0.2879 0.0083 -0.1138 -0.0535 430 HOH A O 3196 O O . HOH F . ? 0.2693 0.3506 0.2801 0.0120 0.1228 0.0180 431 HOH A O 3197 O O . HOH F . ? 0.2963 0.2406 0.3248 -0.0183 0.0851 0.0112 432 HOH A O 3198 O O . HOH F . ? 0.3872 0.2899 0.3207 0.0391 0.0194 0.0188 433 HOH A O 3199 O O . HOH F . ? 0.3073 0.2761 0.2873 0.1325 0.0582 -0.0276 434 HOH A O 3200 O O . HOH F . ? 0.2533 0.3689 0.4358 0.0341 0.0928 -0.0199 435 HOH A O 3201 O O . HOH F . ? 0.2992 0.3072 0.1930 -0.0080 -0.0041 0.0012 436 HOH A O 3202 O O . HOH F . ? 0.1969 0.3406 0.2428 -0.0086 -0.0182 0.0321 437 HOH A O 3203 O O . HOH F . ? 0.0898 0.1019 0.0951 -0.0025 0.0152 -0.0070 438 HOH A O 3204 O O . HOH F . ? 0.4864 0.3452 0.4328 0.0740 0.0411 0.1215 439 HOH A O 3205 O O . HOH F . ? 0.3516 0.3383 0.3379 -0.0172 0.0454 -0.0816 440 HOH A O 3206 O O . HOH F . ? 0.2618 0.3909 0.4021 0.1498 0.0617 -0.0163 441 HOH A O 3207 O O . HOH F . ? 0.5431 0.3753 0.4613 -0.0457 -0.0082 -0.0963 442 HOH A O 3208 O O . HOH F . ? 0.4788 0.3621 0.4766 -0.0581 -0.0657 -0.0032 443 HOH A O 3209 O O . HOH F . ? 0.2564 0.2714 0.3850 0.0184 -0.0545 -0.0138 444 HOH A O 3210 O O . HOH F . ? 0.3364 0.3300 0.4480 0.0731 -0.0891 -0.1336 445 HOH A O 3211 O O . HOH F . ? 0.3961 0.4520 0.3264 0.0541 0.1334 -0.0228 446 HOH A O 3212 O O . HOH F . ? 0.2446 0.1598 0.2784 -0.0016 0.0427 -0.0112 447 HOH A O 3213 O O . HOH F . ? 0.2571 0.5125 0.3139 0.0196 -0.0196 0.0781 448 HOH A O 3214 O O . HOH F . ? 0.2520 0.4990 0.4653 0.0564 -0.1179 -0.0166 449 HOH A O 3215 O O . HOH F . ? 0.2994 0.3956 0.5142 -0.0052 -0.0543 0.0005 450 HOH A O 3216 O O . HOH F . ? 0.3703 0.3382 0.3097 0.0660 0.0763 0.0704 451 HOH A O 3217 O O . HOH F . ? 0.4500 0.3355 0.4807 -0.0523 0.0686 0.0254 452 HOH A O 3218 O O . HOH F . ? 0.2830 0.3664 0.3515 0.0413 -0.0143 -0.0001 453 HOH A O 3219 O O . HOH F . ? 0.4070 0.3720 0.4456 -0.0823 -0.1437 -0.1243 454 HOH A O 3220 O O . HOH F . ? 0.3985 0.4282 0.2700 0.0172 0.0964 0.1370 455 HOH A O 3221 O O . HOH F . ? 0.2381 0.3490 0.4061 -0.0516 0.1254 -0.1390 456 HOH A O 3222 O O . HOH F . ? 0.5634 0.3310 0.4682 -0.0565 0.1118 0.0896 457 HOH A O 3223 O O . HOH F . ? 0.4634 0.4860 0.4257 -0.0378 0.0698 0.0861 458 HOH A O 3224 O O . HOH F . ? 0.3851 0.2364 0.2816 -0.0100 -0.1035 -0.0482 459 HOH A O 3225 O O . HOH F . ? 0.2450 0.3328 0.2169 0.0381 0.0247 -0.0274 460 HOH A O 3226 O O . HOH F . ? 0.4524 0.3969 0.3752 -0.1421 -0.1389 0.2358 461 HOH A O 3227 O O . HOH F . ? 0.3378 0.6398 0.3601 0.1216 0.1368 -0.0781 462 HOH A O 3228 O O . HOH F . ? 0.1999 0.3738 0.2478 -0.0127 -0.0006 -0.0964 463 HOH A O 3229 O O . HOH F . ? 0.5409 0.2878 0.6425 0.1541 -0.0280 -0.0445 464 HOH A O 3230 O O . HOH F . ? 0.2711 0.4108 0.4209 0.0745 0.0958 0.0371 465 HOH A O 3231 O O . HOH F . ? 0.2213 0.2533 0.3326 -0.0402 0.0072 0.0888 466 HOH A O 3232 O O . HOH F . ? 0.4140 0.3178 0.2277 -0.0302 -0.0478 -0.0130 467 HOH A O 3233 O O . HOH F . ? 0.1919 0.1515 0.1329 0.0045 0.0026 0.0105 468 HOH A O 3234 O O . HOH F . ? 0.5472 0.2672 0.3717 -0.0178 -0.1093 -0.1075 469 HOH A O 3235 O O . HOH F . ? 0.2966 0.4478 0.3670 0.1545 -0.0024 0.1534 470 HOH A O 3236 O O . HOH F . ? 0.4974 0.2292 0.3292 0.0607 0.0559 -0.0747 471 HOH A O 3237 O O . HOH F . ? 0.2935 0.3292 0.2548 -0.0247 -0.0307 -0.0046 472 HOH A O 3238 O O . HOH F . ? 0.4102 0.3405 0.3308 0.0525 -0.0003 -0.1015 473 HOH A O 3239 O O . HOH F . ? 0.2493 0.2129 0.2862 0.0169 0.0349 0.0704 474 HOH A O 3240 O O . HOH F . ? 0.3315 0.2408 0.3360 0.0137 -0.0132 0.0559 475 HOH A O 3241 O O . HOH F . ? 0.2281 0.2141 0.3169 -0.0254 0.0203 0.0230 476 HOH A O 3242 O O . HOH F . ? 0.2519 0.2212 0.1594 0.0958 0.1040 0.0302 477 HOH A O 3243 O O . HOH F . ? 0.1086 0.1128 0.0810 -0.0345 0.0219 -0.0155 478 HOH A O 3244 O O . HOH F . ? 0.1184 0.0563 0.0927 -0.0088 0.0393 -0.0079 479 HOH A O 3245 O O . HOH F . ? 0.3069 0.4857 0.4184 -0.0796 -0.0926 -0.0287 480 HOH A O 3246 O O . HOH F . ? 0.1882 0.2484 0.2305 -0.0042 0.0067 -0.0160 481 HOH A O 3247 O O . HOH F . ? 0.3793 0.5528 0.4396 0.0134 -0.0224 -0.0125 482 HOH A O 3248 O O . HOH F . ? 0.4051 0.4598 0.4113 0.0019 -0.0640 -0.0524 483 HOH A O 3249 O O . HOH F . ? 0.3609 0.3191 0.2512 -0.0259 0.0110 0.0298 484 HOH A O 3250 O O . HOH F . ? 0.0744 0.0857 0.0892 -0.0094 -0.0037 0.0220 485 HOH A O 3251 O O . HOH F . ? 0.2190 0.1250 0.1621 0.0180 0.0190 0.0045 486 HOH A O 3252 O O . HOH F . ? 0.3112 0.4266 0.3145 0.0411 0.0668 0.0213 487 HOH A O 3253 O O . HOH F . ? 0.5452 0.4369 0.2812 -0.1361 -0.0685 0.0092 488 HOH A O 3254 O O . HOH F . ? 0.1013 0.0779 0.0740 -0.0059 0.0091 0.0007 489 HOH A O 3255 O O . HOH F . ? 0.4643 0.5587 0.4001 0.0298 -0.0769 -0.0186 490 HOH A O 3256 O O . HOH F . ? 0.3423 0.3943 0.3057 0.0487 0.0002 -0.0915 491 HOH A O 3257 O O . HOH F . ? 0.0783 0.1191 0.0878 0.0042 0.0127 0.0143 492 HOH A O 3258 O O . HOH F . ? 0.1410 0.0990 0.1329 -0.0227 0.0294 0.0259 493 HOH A O 3259 O O . HOH F . ? 0.3012 0.3359 0.4159 0.0385 -0.1226 0.0666 494 HOH A O 3260 O O . HOH F . ? 0.4102 0.2980 0.3885 0.0627 0.0106 -0.0771 495 HOH A O 3261 O O . HOH F . ? 0.3678 0.2576 0.2492 -0.0551 -0.1040 -0.0528 496 HOH A O 3262 O O . HOH F . ? 0.4845 0.4578 0.3375 -0.0274 0.0325 -0.0106 497 HOH A O 3263 O O . HOH F . ? 0.4481 0.4680 0.4007 -0.2050 0.0565 0.1088 498 HOH A O 3264 O O . HOH F . ? 0.2520 0.3905 0.6210 0.0995 -0.0383 -0.0163 499 HOH A O 3265 O O . HOH F . ? 0.4377 0.5306 0.2930 0.1184 -0.0386 0.0071 500 HOH A O 3266 O O . HOH F . ? 0.1264 0.0938 0.0883 -0.0212 -0.0045 -0.0012 502 HOH A O 3267 O O . HOH F . ? 0.3236 0.4275 0.3014 0.0602 0.0061 -0.1402 503 HOH A O 3268 O O . HOH F . ? 0.2475 0.1953 0.2777 0.0414 0.0431 0.0353 504 HOH A O 3269 O O . HOH F . ? 0.2440 0.1392 0.1197 0.0352 0.0619 0.0209 505 HOH A O 3270 O O . HOH F . ? 0.1881 0.0930 0.1274 -0.0050 0.0478 0.0054 506 HOH A O 3271 O O . HOH F . ? 0.5163 0.2915 0.2729 0.0878 -0.0501 -0.0517 507 HOH A O 3272 O O . HOH F . ? 0.3333 0.3838 0.3343 -0.0046 -0.0499 -0.1309 508 HOH A O 3273 O O . HOH F . ? 0.3188 0.4709 0.4915 -0.0341 -0.0855 0.0933 509 HOH A O 3274 O O . HOH F . ? 0.3294 0.3046 0.4408 0.0909 0.1275 0.0015 510 HOH A O 3275 O O . HOH F . ? 0.3129 0.4980 0.3248 0.0763 -0.1217 -0.0370 511 HOH A O 3276 O O . HOH F . ? 0.1912 0.1431 0.4613 0.0351 -0.1046 -0.0123 512 HOH A O 3277 O O . HOH F . ? 0.3296 0.5801 0.5121 -0.0501 -0.1474 -0.1688 513 HOH A O 3278 O O . HOH F . ? 0.4177 0.2295 0.2048 0.0191 0.0046 -0.0008 514 HOH A O 3279 O O . HOH F . ? 0.0755 0.0791 0.0938 0.0113 0.0179 -0.0016 515 HOH A O 3280 O O . HOH F . ? 0.1359 0.0979 0.1125 -0.0002 0.0012 0.0141 516 HOH A O 3281 O O . HOH F . ? 0.1550 0.1156 0.1015 0.0054 0.0017 0.0317 517 HOH A O 3282 O O . HOH F . ? 0.3103 0.6448 0.4087 -0.1619 -0.0905 0.0299 518 HOH A O 3283 O O . HOH F . ? 0.0788 0.1374 0.1124 0.0079 0.0208 0.0058 519 HOH A O 3284 O O . HOH F . ? 0.4394 0.2590 0.3343 0.0191 -0.1067 -0.0634 520 HOH A O 3285 O O . HOH F . ? 0.2540 0.2781 0.1616 -0.1725 0.1048 -0.1157 521 HOH A O 3286 O O . HOH F . ? 0.4717 0.3907 0.2639 -0.0616 0.0908 0.0445 522 HOH A O 3287 O O . HOH F . ? 0.0916 0.0767 0.0863 -0.0180 -0.0016 0.0169 523 HOH A O 3288 O O . HOH F . ? 0.2080 0.2467 0.3498 -0.0008 0.0230 0.0873 524 HOH A O 3289 O O . HOH F . ? 0.2931 0.2607 0.3925 -0.0027 0.0657 -0.0073 525 HOH A O 3290 O O . HOH F . ? 0.1302 0.1358 0.1557 -0.0144 0.0109 0.0189 526 HOH A O 3291 O O . HOH F . ? 0.5528 0.5065 0.2340 -0.0954 -0.1004 -0.0998 527 HOH A O 3292 O O . HOH F . ? 0.2752 0.2953 0.2193 0.0132 0.0052 -0.0147 528 HOH A O 3293 O O . HOH F . ? 0.1124 0.1018 0.0865 -0.0167 -0.0007 -0.0118 529 HOH A O 3294 O O . HOH F . ? 0.2037 0.2317 0.2614 -0.0526 -0.0306 0.0914 530 HOH A O 3295 O O . HOH F . ? 0.1026 0.1003 0.1056 -0.0080 -0.0062 -0.0020 531 HOH A O 3296 O O . HOH F . ? 0.5908 0.3183 0.3251 0.0027 0.0216 0.0608 532 HOH A O 3297 O O . HOH F . ? 0.0977 0.1081 0.1071 0.0103 0.0073 0.0022 533 HOH A O 3298 O O . HOH F . ? 0.4483 0.2444 0.5281 0.0046 -0.0358 0.0039 534 HOH A O 3299 O O . HOH F . ? 0.1687 0.1076 0.1384 -0.0136 -0.0014 -0.0256 535 HOH A O 3300 O O . HOH F . ? 0.4511 0.3902 0.4073 0.0424 -0.0181 0.0356 536 HOH A O 3301 O O . HOH F . ? 0.1334 0.1363 0.1000 0.0127 0.0322 0.0109 537 HOH A O 3302 O O . HOH F . ? 0.5787 0.3618 0.4112 -0.0117 -0.0416 0.1869 538 HOH A O 3303 O O . HOH F . ? 0.3169 0.3177 0.2227 -0.0320 0.0391 -0.0538 539 HOH A O 3304 O O . HOH F . ? 0.2263 0.3443 0.2553 0.0022 -0.0403 -0.0192 540 HOH A O 3305 O O . HOH F . ? 0.3461 0.2250 0.4566 0.0518 -0.0392 -0.0793 541 HOH A O 3306 O O . HOH F . ? 0.2980 0.3271 0.5719 -0.0110 -0.1804 -0.1359 542 HOH A O 3307 O O . HOH F . ? 0.1090 0.0891 0.0778 -0.0298 0.0169 -0.0002 543 HOH A O 3308 O O . HOH F . ? 0.3138 0.2321 0.3576 0.0060 -0.0050 0.0704 544 HOH A O 3309 O O . HOH F . ? 0.3726 0.3261 0.4121 -0.0551 -0.1275 -0.0663 545 HOH A O 3310 O O . HOH F . ? 0.4332 0.3491 0.4439 -0.0386 -0.0152 -0.0539 546 HOH A O 3311 O O . HOH F . ? 0.0789 0.0910 0.1126 -0.0205 -0.0074 0.0169 547 HOH A O 3312 O O . HOH F . ? 0.4908 0.2882 0.4307 -0.0311 0.0439 -0.0796 548 HOH A O 3313 O O . HOH F . ? 0.2952 0.4095 0.6402 -0.0661 0.0628 0.0062 549 HOH A O 3314 O O . HOH F . ? 0.4022 0.3145 0.6128 -0.1081 -0.0368 -0.0175 550 HOH A O 3315 O O . HOH F . ? 0.1053 0.1441 0.1275 -0.0197 0.0299 0.0147 551 HOH A O 3316 O O . HOH F . ? 0.3492 0.2355 0.4009 -0.0510 -0.0763 -0.0979 552 HOH A O 3317 O O . HOH F . ? 0.1575 0.0965 0.0986 -0.0398 0.0034 0.0018 553 HOH A O 3318 O O . HOH F . ? 0.1513 0.1382 0.2026 -0.0215 0.0807 0.0023 554 HOH A O 3319 O O . HOH F . ? 0.0689 0.0678 0.0877 0.0037 0.0144 0.0065 555 HOH A O 3320 O O . HOH F . ? 0.0945 0.0990 0.0928 -0.0033 0.0007 0.0218 556 HOH A O 3321 O O . HOH F . ? 0.4173 0.3183 0.3855 0.0517 -0.0261 -0.0972 557 HOH A O 3322 O O . HOH F . ? 0.6069 0.2950 0.4929 0.0423 -0.0567 0.0861 558 HOH A O 3323 O O . HOH F . ? 0.3354 0.3408 0.3929 0.0264 0.0430 -0.1088 559 HOH A O 3324 O O . HOH F . ? 0.4795 0.4040 0.3638 0.0047 0.0591 0.0712 560 HOH A O 3325 O O . HOH F . ? 0.1070 0.0943 0.0801 -0.0116 -0.0012 0.0098 561 HOH A O 3326 O O . HOH F . ? 0.4402 0.4532 0.4607 0.1110 0.1070 -0.0400 562 HOH A O 3327 O O . HOH F . ? 0.3698 0.2650 0.4851 -0.0082 0.0033 0.0474 563 HOH A O 3328 O O . HOH F . ? 0.1279 0.1206 0.1664 -0.0121 0.0156 0.0545 564 HOH A O 3329 O O . HOH F . ? 0.1177 0.1281 0.0902 -0.0298 0.0014 0.0075 565 HOH A O 3330 O O . HOH F . ? 0.4717 0.4836 0.4901 -0.0714 -0.0451 -0.0797 566 HOH A O 3331 O O . HOH F . ? 0.4502 0.3402 0.5417 -0.0642 -0.0184 -0.1401 567 HOH A O 3332 O O . HOH F . ? 0.3938 0.4938 0.3880 0.0767 0.0711 -0.0978 568 HOH A O 3333 O O . HOH F . ? 0.3227 0.4052 0.5301 -0.0090 -0.0433 0.0811 569 HOH A O 3334 O O . HOH F . ? 0.3659 0.3368 0.4250 0.0385 0.0466 -0.0282 570 HOH A O 3335 O O . HOH F . ? 0.4193 0.3053 0.2891 -0.0256 -0.0218 0.0066 571 HOH A O 3336 O O . HOH F . ? 0.1653 0.0892 0.1476 -0.0016 0.0306 -0.0131 572 HOH A O 3337 O O . HOH F . ? 0.0957 0.1117 0.2154 -0.0208 0.0131 -0.0358 573 HOH A O 3338 O O . HOH F . ? 0.4309 0.3910 0.6568 -0.0005 -0.0027 -0.0082 574 HOH A O 3339 O O . HOH F . ? 0.4162 0.2483 0.4266 -0.0039 0.0621 0.0125 575 HOH A O 3340 O O . HOH F . ? 0.2565 0.2270 0.2219 -0.0274 -0.0516 0.0478 576 HOH A O 3341 O O . HOH F . ? 0.3528 0.3830 0.4109 -0.0313 -0.0035 -0.0111 577 HOH A O 3342 O O . HOH F . ? 0.1315 0.1687 0.1031 -0.0353 -0.0014 0.0102 578 HOH A O 3343 O O . HOH F . ? 0.1436 0.1229 0.1845 -0.0374 -0.0039 -0.0134 579 HOH A O 3344 O O . HOH F . ? 0.3535 0.4767 0.2915 -0.0731 -0.0869 -0.0835 580 HOH A O 3345 O O . HOH F . ? 0.4269 0.3653 0.2609 -0.0392 0.0577 -0.0235 581 HOH A O 3346 O O . HOH F . ? 0.3276 0.3271 0.4252 0.0955 0.0579 0.0250 582 HOH A O 3347 O O . HOH F . ? 0.1007 0.0897 0.1401 -0.0293 0.0133 -0.0004 583 HOH A O 3348 O O . HOH F . ? 0.1075 0.2442 0.4179 -0.1340 0.1622 -0.2702 584 HOH A O 3349 O O . HOH F . ? 0.1371 0.1197 0.1749 -0.0187 -0.0394 0.0267 585 HOH A O 3350 O O . HOH F . ? 0.1372 0.0872 0.1510 0.0090 0.0035 -0.0077 586 HOH A O 3351 O O . HOH F . ? 0.4378 0.2996 0.2707 -0.0142 -0.0047 -0.0289 587 HOH A O 3352 O O . HOH F . ? 0.0847 0.1140 0.1494 -0.0035 0.0346 -0.0203 588 HOH A O 3353 O O . HOH F . ? 0.3714 0.4369 0.3002 -0.0014 0.0256 0.0104 589 HOH A O 3354 O O . HOH F . ? 0.1076 0.0981 0.1144 0.0020 0.0089 -0.0193 590 HOH A O 3355 O O . HOH F . ? 0.1017 0.1585 0.1065 0.0007 -0.0043 0.0270 591 HOH A O 3356 O O . HOH F . ? 0.2634 0.2556 0.4301 -0.1034 0.0068 0.0162 592 HOH A O 3357 O O . HOH F . ? 0.2960 0.3015 0.3784 -0.0382 0.1374 0.0152 593 HOH A O 3358 O O . HOH F . ? 0.3506 0.3555 0.3812 0.0851 0.0399 -0.0818 594 HOH A O 3359 O O . HOH F . ? 0.2270 0.4550 0.1839 -0.1105 0.0506 -0.0828 595 HOH A O 3360 O O . HOH F . ? 0.2608 0.3041 0.3028 0.0045 -0.0352 -0.0129 596 HOH A O 3361 O O . HOH F . ? 0.5251 0.3097 0.5152 -0.1129 -0.0643 0.0305 597 HOH A O 3362 O O . HOH F . ? 0.3570 0.3291 0.2695 -0.0035 0.0475 -0.0151 598 HOH A O 3363 O O . HOH F . ? 0.5529 0.5035 0.3044 -0.0910 -0.0244 -0.0759 599 HOH A O 3364 O O . HOH F . ? 0.2166 0.1265 0.1177 0.0377 -0.0382 -0.0294 600 HOH A O 3365 O O . HOH F . ? 0.2997 0.2583 0.4398 0.0510 0.0699 0.1008 602 HOH A O 3366 O O . HOH F . ? 0.3415 0.4229 0.4351 -0.0326 0.0657 0.0561 603 HOH A O 3367 O O . HOH F . ? 0.4998 0.7202 0.2991 -0.0833 0.0920 0.1022 604 HOH A O 3368 O O . HOH F . ? 0.1044 0.1408 0.1736 -0.0401 0.0158 0.0360 605 HOH A O 3369 O O . HOH F . ? 0.4146 0.2758 0.1987 0.1389 0.0802 0.0721 606 HOH A O 3370 O O . HOH F . ? 0.5007 0.3422 0.4613 -0.0814 0.0542 0.0379 607 HOH A O 3371 O O . HOH F . ? 0.3174 0.3914 0.3717 0.0168 -0.0202 0.0552 608 HOH A O 3372 O O . HOH F . ? 0.3744 0.2414 0.3131 -0.0879 -0.0242 0.0607 609 HOH A O 3373 O O . HOH F . ? 0.3888 0.4267 0.4599 -0.0251 -0.1631 0.0168 610 HOH A O 3374 O O . HOH F . ? 0.1052 0.1868 0.2889 -0.0266 -0.0094 0.1041 611 HOH A O 3375 O O . HOH F . ? 0.3489 0.4216 0.4956 -0.0480 0.0437 -0.0512 612 HOH A O 3376 O O . HOH F . ? 0.3666 0.3396 0.3527 -0.0007 0.0225 0.0265 613 HOH A O 3377 O O . HOH F . ? 0.3446 0.2465 0.3940 -0.0303 0.0487 -0.0108 614 HOH A O 3378 O O . HOH F . ? 0.1003 0.0871 0.1237 0.0006 0.0184 0.0132 615 HOH A O 3379 O O . HOH F . ? 0.0827 0.1467 0.0927 0.0173 0.0096 0.0048 616 HOH A O 3380 O O . HOH F . ? 0.0958 0.1219 0.1373 0.0175 0.0161 0.0321 617 HOH A O 3381 O O . HOH F . ? 0.6245 0.3478 0.4164 0.1235 -0.1146 0.0564 618 HOH A O 3382 O O . HOH F . ? 0.2977 0.4695 0.6115 0.0842 -0.0619 0.0379 619 HOH A O 3383 O O . HOH F . ? 0.1398 0.1130 0.0997 -0.0169 0.0152 0.0079 620 HOH A O 3384 O O . HOH F . ? 0.1637 0.1735 0.2844 0.0215 -0.0514 -0.0498 621 HOH A O 3385 O O . HOH F . ? 0.1235 0.1299 0.2123 0.0159 0.0357 0.0277 622 HOH A O 3386 O O . HOH F . ? 0.1657 0.1205 0.0752 -0.0307 0.0024 -0.0003 623 HOH A O 3387 O O . HOH F . ? 0.2346 0.1306 0.1493 -0.0702 -0.0104 -0.0204 624 HOH A O 3388 O O . HOH F . ? 0.1615 0.0874 0.1583 -0.0167 0.0432 0.0005 625 HOH A O 3389 O O . HOH F . ? 0.4533 0.2565 0.3478 0.0195 0.1044 0.0714 626 HOH A O 3390 O O . HOH F . ? 0.2116 0.1652 0.1700 -0.0244 0.0311 0.0216 627 HOH A O 3391 O O . HOH F . ? 0.5710 0.4226 0.2965 -0.1427 0.0611 0.0444 628 HOH A O 3392 O O . HOH F . ? 0.1412 0.1232 0.0879 -0.0131 -0.0048 0.0171 629 HOH A O 3393 O O . HOH F . ? 0.1427 0.1601 0.1292 0.0148 -0.0159 0.0186 630 HOH A O 3394 O O . HOH F . ? 0.3515 0.3802 0.3370 -0.0393 -0.0107 0.0522 631 HOH A O 3395 O O . HOH F . ? 0.4592 0.4213 0.3814 0.0230 0.0295 0.0766 632 HOH A O 3396 O O . HOH F . ? 0.2699 0.1534 0.3745 0.0130 0.1860 -0.0053 633 HOH A O 3397 O O . HOH F . ? 0.5580 0.3672 0.2734 -0.1194 -0.0838 -0.1838 634 HOH A O 3398 O O . HOH F . ? 0.1772 0.3784 0.0667 -0.0157 0.0077 0.0193 635 HOH A O 3399 O O . HOH F . ? 0.3646 0.4692 0.4228 -0.0559 0.0956 0.0370 636 HOH A O 3400 O O . HOH F . ? 0.5072 0.2920 0.4292 -0.1252 0.0807 -0.0132 637 HOH A O 3401 O O . HOH F . ? 0.2233 0.2713 0.4219 -0.0413 -0.0134 0.1246 638 HOH A O 3402 O O . HOH F . ? 0.3324 0.2879 0.5515 0.0804 -0.0105 0.1760 639 HOH A O 3403 O O . HOH F . ? 0.1452 0.1286 0.1771 -0.0079 0.0048 0.0117 640 HOH A O 3404 O O . HOH F . ? 0.1041 0.1873 0.1213 -0.0041 0.0222 0.0507 641 HOH A O 3405 O O . HOH F . ? 0.4303 0.5279 0.4040 -0.0640 0.0077 -0.0962 642 HOH A O 3406 O O . HOH F . ? 0.4365 0.1984 0.2362 0.0058 0.0733 0.0106 643 HOH A O 3407 O O . HOH F . ? 0.1487 0.0752 0.1724 0.0062 0.0042 -0.0372 644 HOH A O 3408 O O . HOH F . ? 0.6833 0.3425 0.3227 -0.0532 0.0145 0.0019 645 HOH A O 3409 O O . HOH F . ? 0.1476 0.2348 0.2072 0.0327 0.0053 0.0089 646 HOH A O 3410 O O . HOH F . ? 0.2367 0.1932 0.2134 0.0368 0.1124 0.0433 647 HOH A O 3411 O O . HOH F . ? 0.2244 0.2311 0.2588 -0.0807 -0.0712 0.0948 648 HOH A O 3412 O O . HOH F . ? 0.3725 0.3197 0.3712 0.0432 0.0009 -0.0610 649 HOH A O 3413 O O . HOH F . ? 0.4102 0.3976 0.2585 0.0069 0.0166 -0.0443 650 HOH A O 3414 O O . HOH F . ? 0.5692 0.2489 0.3605 -0.0026 -0.0785 -0.0114 651 HOH A O 3415 O O . HOH F . ? 0.1526 0.1667 0.1177 0.0161 0.0139 -0.0202 652 HOH A O 3416 O O . HOH F . ? 0.1375 0.1787 0.1684 -0.0472 0.0387 -0.0068 653 HOH A O 3417 O O . HOH F . ? 0.4342 0.4863 0.3857 -0.0988 -0.1482 -0.0200 654 HOH A O 3418 O O . HOH F . ? 0.4146 0.2345 0.5291 -0.0063 -0.0149 0.0702 655 HOH A O 3419 O O . HOH F . ? 0.2956 0.2537 0.3834 0.0231 -0.0013 0.0207 656 HOH A O 3420 O O . HOH F . ? 0.3182 0.3637 0.3714 -0.0920 0.1588 -0.0555 657 HOH A O 3421 O O . HOH F . ? 0.4119 0.5084 0.4866 0.0300 -0.1119 0.0703 658 HOH A O 3422 O O . HOH F . ? 0.2014 0.1680 0.1661 0.0449 -0.0070 0.0469 659 HOH A O 3423 O O . HOH F . ? 0.4375 0.4711 0.5826 0.0537 -0.0684 -0.1256 660 HOH A O 3424 O O . HOH F . ? 0.3241 0.3050 0.2231 0.0425 0.0348 -0.0148 661 HOH A O 3425 O O . HOH F . ? 0.1757 0.1158 0.0963 -0.0508 0.0120 -0.0009 662 HOH A O 3426 O O . HOH F . ? 0.1740 0.1591 0.2717 0.0123 0.0787 -0.0358 663 HOH A O 3427 O O . HOH F . ? 0.1245 0.1197 0.1217 0.0061 -0.0337 -0.0161 664 HOH A O 3428 O O . HOH F . ? 0.5119 0.1526 0.3705 0.0100 -0.0759 -0.0905 665 HOH A O 3429 O O . HOH F . ? 0.1483 0.1085 0.2477 -0.0510 0.0081 -0.0059 666 HOH A O 3430 O O . HOH F . ? 0.1590 0.1434 0.2983 -0.0468 -0.0653 -0.0338 667 HOH A O 3431 O O . HOH F . ? 0.5114 0.5143 0.3959 -0.0839 0.1010 -0.2086 668 HOH A O 3432 O O . HOH F . ? 0.2484 0.1999 0.2073 0.0001 0.1087 0.0409 669 HOH A O 3433 O O . HOH F . ? 0.0818 0.1346 0.1077 -0.0230 -0.0031 0.0244 670 HOH A O 3434 O O . HOH F . ? 0.2733 0.3878 0.1339 0.0502 -0.0110 0.1045 671 HOH A O 3435 O O . HOH F . ? 0.2928 0.2097 0.3183 0.0452 0.0358 -0.0498 672 HOH A O 3436 O O . HOH F . ? 0.3161 0.2962 0.3767 0.0241 0.0245 -0.0832 673 HOH A O 3437 O O . HOH F . ? 0.1317 0.1584 0.2757 -0.0455 0.0361 0.0520 674 HOH A O 3438 O O . HOH F . ? 0.1678 0.1298 0.1118 0.0201 -0.0012 0.0121 675 HOH A O 3439 O O . HOH F . ? 0.3733 0.3159 0.5129 -0.0197 -0.0387 0.0112 676 HOH A O 3440 O O . HOH F . ? 0.3572 0.2116 0.2833 -0.0454 -0.0645 -0.0123 677 HOH A O 3441 O O . HOH F . ? 0.1595 0.1920 0.2515 -0.0164 -0.0125 0.0038 678 HOH A O 3442 O O . HOH F . ? 0.2957 0.2348 0.1928 0.0221 -0.0492 0.0101 679 HOH A O 3443 O O . HOH F . ? 0.3669 0.4357 0.3291 -0.0766 0.0312 0.0667 680 HOH A O 3444 O O . HOH F . ? 0.5285 0.3739 0.3426 0.0599 0.0507 0.0856 681 HOH A O 3445 O O . HOH F . ? 0.1845 0.1634 0.1288 0.0408 0.0156 -0.0017 682 HOH A O 3446 O O . HOH F . ? 0.4660 0.2409 0.4793 -0.0917 0.0149 -0.0993 683 HOH A O 3447 O O . HOH F . ? 0.4331 0.3982 0.4794 -0.0043 0.0483 -0.1228 684 HOH A O 3448 O O . HOH F . ? 0.3537 0.5661 0.2715 -0.2483 0.0002 -0.0879 685 HOH A O 3449 O O . HOH F . ? 0.1573 0.1412 0.1759 -0.0166 -0.0001 0.0330 686 HOH A O 3450 O O . HOH F . ? 0.1838 0.1665 0.1796 -0.0326 0.0003 -0.0567 687 HOH A O 3451 O O . HOH F . ? 0.2771 0.6629 0.5548 0.0222 -0.1635 -0.1641 688 HOH A O 3452 O O . HOH F . ? 0.1985 0.1197 0.1059 0.0536 0.0484 0.0132 689 HOH A O 3453 O O . HOH F . ? 0.3200 0.2250 0.2458 -0.0156 0.0000 -0.0077 690 HOH A O 3454 O O . HOH F . ? 0.3243 0.3534 0.4704 -0.0009 -0.0254 -0.2533 691 HOH A O 3455 O O . HOH F . ? 0.2443 0.1593 0.1179 -0.0956 -0.0152 0.0081 692 HOH A O 3456 O O . HOH F . ? 0.1411 0.1545 0.0964 -0.0202 -0.0070 -0.0010 693 HOH A O 3457 O O . HOH F . ? 0.1513 0.1475 0.1966 0.0120 0.0049 -0.0006 694 HOH A O 3458 O O . HOH F . ? 0.1958 0.1595 0.2342 -0.0312 0.0371 -0.0014 695 HOH A O 3459 O O . HOH F . ? 0.4011 0.5809 0.4092 -0.0437 0.0933 -0.0430 696 HOH A O 3460 O O . HOH F . ? 0.3322 0.3985 0.2924 0.0503 -0.0240 0.0027 697 HOH A O 3461 O O . HOH F . ? 0.3003 0.3197 0.3090 -0.0258 -0.0147 0.0036 698 HOH A O 3462 O O . HOH F . ? 0.4566 0.2637 0.3527 -0.1165 -0.0325 0.0710 699 HOH A O 3463 O O . HOH F . ? 0.2444 0.1992 0.1513 -0.0199 -0.0119 -0.0427 700 HOH A O 3464 O O . HOH F . ? 0.3194 0.1504 0.1916 -0.0048 -0.1028 -0.0625 702 HOH A O 3465 O O . HOH F . ? 0.1358 0.2430 0.1872 -0.0126 0.0054 0.0881 703 HOH A O 3466 O O . HOH F . ? 0.3741 0.6347 0.3287 -0.0939 -0.0399 -0.1328 704 HOH A O 3467 O O . HOH F . ? 0.1297 0.2362 0.2394 0.0001 0.0436 0.0064 705 HOH A O 3468 O O . HOH F . ? 0.4547 0.2028 0.5502 0.0189 0.0143 0.0558 706 HOH A O 3469 O O . HOH F . ? 0.1712 0.1494 0.2053 -0.0158 0.0328 -0.0763 707 HOH A O 3470 O O . HOH F . ? 0.1785 0.1817 0.3124 -0.0395 -0.0246 0.0424 708 HOH A O 3471 O O . HOH F . ? 0.2327 0.1429 0.1319 -0.0076 0.0000 -0.0073 709 HOH A O 3472 O O . HOH F . ? 0.3100 0.4544 0.3837 -0.0177 0.0175 -0.0395 710 HOH A O 3473 O O . HOH F . ? 0.3995 0.3832 0.4594 -0.0468 0.0708 0.0590 711 HOH A O 3474 O O . HOH F . ? 0.2349 0.2084 0.3178 -0.0617 0.0875 -0.0219 712 HOH A O 3475 O O . HOH F . ? 0.4544 0.4483 0.4898 0.0272 -0.0335 -0.0257 713 HOH A O 3476 O O . HOH F . ? 0.1486 0.2446 0.1209 -0.0897 -0.0070 0.0265 714 HOH A O 3477 O O . HOH F . ? 0.4221 0.4194 0.3870 -0.0628 0.1145 -0.0085 715 HOH A O 3478 O O . HOH F . ? 0.5060 0.3276 0.3850 -0.0007 0.0818 -0.0238 716 HOH A O 3479 O O . HOH F . ? 0.4426 0.2180 0.2193 -0.0992 0.0727 0.0019 717 HOH A O 3480 O O . HOH F . ? 0.1702 0.1498 0.1421 0.0051 0.0418 -0.0057 718 HOH A O 3481 O O . HOH F . ? 0.2586 0.2110 0.2143 0.0002 -0.0887 -0.0077 719 HOH A O 3482 O O . HOH F . ? 0.1310 0.1541 0.1832 -0.0125 0.0532 0.0042 720 HOH A O 3483 O O . HOH F . ? 0.4310 0.4131 0.4767 0.0909 0.0420 0.0100 721 HOH A O 3484 O O . HOH F . ? 0.1542 0.1208 0.1650 0.0023 -0.0225 -0.0210 722 HOH A O 3485 O O . HOH F . ? 0.1607 0.1620 0.1316 0.0085 -0.0066 -0.0393 723 HOH A O 3486 O O . HOH F . ? 0.3004 0.3797 0.4214 -0.0371 0.0067 -0.0335 724 HOH A O 3487 O O . HOH F . ? 0.1656 0.1268 0.1433 0.0375 0.0277 -0.0028 725 HOH A O 3488 O O . HOH F . ? 0.6931 0.6707 0.5569 0.0265 -0.0312 0.0362 726 HOH A O 3489 O O . HOH F . ? 0.1650 0.1873 0.1126 -0.0039 0.0314 -0.0005 727 HOH A O 3490 O O . HOH F . ? 0.2093 0.1599 0.2317 -0.0676 0.0505 0.0086 728 HOH A O 3491 O O . HOH F . ? 0.3775 0.3542 0.2844 -0.0764 0.0886 -0.0197 729 HOH A O 3492 O O . HOH F . ? 0.3257 0.1853 0.2007 0.0167 -0.0039 -0.0530 730 HOH A O 3493 O O . HOH F . ? 0.1088 0.1756 0.1465 -0.0256 -0.0090 0.0489 731 HOH A O 3494 O O . HOH F . ? 0.4949 0.4545 0.2656 0.0046 0.0914 -0.0103 732 HOH A O 3495 O O . HOH F . ? 0.1964 0.1584 0.2891 -0.0283 -0.0225 0.0063 733 HOH A O 3496 O O . HOH F . ? 0.2856 0.2998 0.3865 0.0333 0.1117 -0.0062 734 HOH A O 3497 O O . HOH F . ? 0.1932 0.1438 0.2218 -0.0664 -0.0183 0.0568 735 HOH A O 3498 O O . HOH F . ? 0.2942 0.2249 0.1658 -0.1515 0.0174 0.0169 736 HOH A O 3499 O O . HOH F . ? 0.2289 0.1526 0.1407 0.0172 -0.0144 -0.0004 737 HOH A O 3500 O O . HOH F . ? 0.2931 0.3724 0.5187 -0.0147 0.0041 0.1361 738 HOH A O 3501 O O . HOH F . ? 0.1105 0.1454 0.1840 0.0041 0.0009 -0.0239 739 HOH A O 3502 O O . HOH F . ? 0.1185 0.1232 0.1386 0.0067 0.0203 -0.0056 740 HOH A O 3503 O O . HOH F . ? 0.2731 0.1434 0.3398 0.0270 -0.0921 -0.0833 741 HOH A O 3504 O O . HOH F . ? 0.2531 0.1831 0.4186 -0.0564 0.0176 0.0615 742 HOH A O 3505 O O . HOH F . ? 0.1883 0.0937 0.1952 -0.0271 0.0344 -0.0265 743 HOH A O 3506 O O . HOH F . ? 0.3405 0.2921 0.1862 -0.0759 -0.0076 0.0771 744 HOH A O 3507 O O . HOH F . ? 0.3691 0.1357 0.1266 -0.0153 0.0025 -0.0067 745 HOH A O 3508 O O . HOH F . ? 0.2565 0.1854 0.1442 0.0400 -0.0132 -0.0261 746 HOH A O 3509 O O . HOH F . ? 0.2004 0.1887 0.2437 -0.0597 0.0521 -0.0250 747 HOH A O 3510 O O . HOH F . ? 0.4987 0.5556 0.4242 0.0117 -0.0096 0.0707 748 HOH A O 3511 O O . HOH F . ? 0.3054 0.3220 0.2871 -0.0332 0.0524 0.0178 749 HOH A O 3512 O O . HOH F . ? 0.1592 0.2251 0.1445 -0.0627 0.0095 0.0231 750 HOH A O 3513 O O . HOH F . ? 0.1621 0.4087 0.2523 0.0183 0.0433 0.1901 751 HOH A O 3514 O O . HOH F . ? 0.4566 0.4718 0.4308 -0.0412 0.1771 0.1185 752 HOH A O 3515 O O . HOH F . ? 0.3289 0.2101 0.2032 0.0051 -0.0552 -0.0319 753 HOH A O 3516 O O . HOH F . ? 0.1959 0.1399 0.1409 -0.0186 0.0589 0.0166 754 HOH A O 3517 O O . HOH F . ? 0.4479 0.4433 0.4096 -0.1307 -0.0953 -0.1133 755 HOH A O 3518 O O . HOH F . ? 0.1669 0.2221 0.2071 -0.0004 0.0029 -0.0359 756 HOH A O 3519 O O . HOH F . ? 0.1663 0.1675 0.2716 -0.0006 0.0252 -0.0484 757 HOH A O 3520 O O . HOH F . ? 0.1063 0.2016 0.1960 -0.0261 -0.0084 0.0626 758 HOH A O 3521 O O . HOH F . ? 0.2522 0.1648 0.1926 -0.0830 0.0839 -0.0031 759 HOH A O 3522 O O . HOH F . ? 0.2531 0.4362 0.3493 -0.0700 -0.0295 0.0220 760 HOH A O 3523 O O . HOH F . ? 0.2299 0.3751 0.3574 -0.1268 0.1068 -0.0239 761 HOH A O 3524 O O . HOH F . ? 0.1394 0.2220 0.1864 -0.0397 -0.0326 0.0474 762 HOH A O 3525 O O . HOH F . ? 0.1617 0.1743 0.1462 0.0339 0.0189 0.0048 763 HOH A O 3526 O O . HOH F . ? 0.1819 0.0973 0.1841 -0.0180 -0.0043 0.0060 764 HOH A O 3527 O O . HOH F . ? 0.2920 0.1104 0.2946 0.0255 -0.0599 -0.0191 765 HOH A O 3528 O O . HOH F . ? 0.4748 0.2306 0.4902 0.0295 -0.1426 0.0704 766 HOH A O 3529 O O . HOH F . ? 0.4515 0.2317 0.3638 0.0244 -0.0989 -0.0521 767 HOH A O 3530 O O . HOH F . ? 0.6155 0.3596 0.3650 -0.0357 0.0036 0.0604 768 HOH A O 3531 O O . HOH F . ? 0.2649 0.4811 0.5188 -0.0215 -0.1550 -0.1470 769 HOH A O 3532 O O . HOH F . ? 0.2856 0.1449 0.2512 -0.0473 0.0279 -0.0567 770 HOH A O 3533 O O . HOH F . ? 0.1951 0.1373 0.1630 0.0425 -0.0285 -0.0071 771 HOH A O 3534 O O . HOH F . ? 0.1975 0.2038 0.1473 0.0432 0.0220 0.0147 772 HOH A O 3535 O O . HOH F . ? 0.1582 0.1513 0.1210 0.0029 0.0173 0.0044 773 HOH A O 3536 O O . HOH F . ? 0.2228 0.3139 0.2196 -0.0275 -0.0185 -0.0205 774 HOH A O 3537 O O . HOH F . ? 0.2805 0.1482 0.3442 -0.0440 0.0182 0.0764 775 HOH A O 3538 O O . HOH F . ? 0.2358 0.2260 0.2732 -0.0546 0.0245 0.0108 776 HOH A O 3539 O O . HOH F . ? 0.2686 0.7708 0.3149 0.0050 -0.1406 -0.2497 777 HOH A O 3540 O O . HOH F . ? 0.1985 0.2737 0.2033 0.0047 -0.0808 -0.0790 778 HOH A O 3541 O O . HOH F . ? 0.3166 0.2974 0.2536 -0.1064 0.1571 -0.1130 779 HOH A O 3542 O O . HOH F . ? 0.2954 0.1224 0.0898 -0.0009 -0.0093 -0.0076 780 HOH A O 3543 O O . HOH F . ? 0.2450 0.1990 0.1817 -0.0033 -0.0125 0.0421 781 HOH A O 3544 O O . HOH F . ? 0.3263 0.2586 0.5140 -0.0751 -0.0082 0.0105 782 HOH A O 3545 O O . HOH F . ? 0.1903 0.2024 0.1456 -0.0626 0.0109 0.0329 783 HOH A O 3546 O O . HOH F . ? 0.2410 0.3126 0.2591 0.1508 0.0137 -0.0231 784 HOH A O 3547 O O . HOH F . ? 0.2848 0.1604 0.2268 0.0559 0.0057 -0.0261 785 HOH A O 3548 O O . HOH F . ? 0.1503 0.2093 0.1904 -0.0238 -0.0220 0.0402 786 HOH A O 3549 O O . HOH F . ? 0.2196 0.5104 0.5952 0.0506 0.0558 -0.0494 787 HOH A O 3550 O O . HOH F . ? 0.2387 0.5074 0.3809 0.0365 -0.0350 -0.1734 788 HOH A O 3551 O O . HOH F . ? 0.2053 0.2203 0.2372 -0.0219 0.1056 -0.0239 789 HOH A O 3552 O O . HOH F . ? 0.2719 0.4632 0.5271 0.0102 0.0118 -0.0621 790 HOH A O 3553 O O . HOH F . ? 0.1503 0.1118 0.2417 -0.0304 0.0287 0.0283 791 HOH A O 3554 O O . HOH F . ? 0.2948 0.2232 0.1898 -0.0619 0.0056 -0.0188 792 HOH A O 3555 O O . HOH F . ? 0.1970 0.2687 0.1622 -0.0386 -0.0191 0.0055 793 HOH A O 3556 O O . HOH F . ? 0.3079 0.3455 0.2792 -0.0697 -0.0976 0.1062 794 HOH A O 3557 O O . HOH F . ? 0.3159 0.4492 0.4245 -0.0245 0.0224 -0.0108 795 HOH A O 3558 O O . HOH F . ? 0.1715 0.1188 0.2401 0.0177 0.0013 -0.0118 796 HOH A O 3559 O O . HOH F . ? 0.2864 0.1594 0.1622 0.0338 0.0759 0.0097 797 HOH A O 3560 O O . HOH F . ? 0.1922 0.1938 0.1421 0.0315 0.0433 0.0101 798 HOH A O 3561 O O . HOH F . ? 0.1898 0.2447 0.3411 0.0423 -0.0311 0.0064 799 HOH A O 3562 O O . HOH F . ? 0.3390 0.3070 0.3570 -0.0501 0.0049 -0.1786 800 HOH A O 3563 O O . HOH F . ? 0.4329 0.4450 0.4337 -0.0366 0.0340 -0.0404 802 HOH A O 3564 O O . HOH F . ? 0.2528 0.2384 0.2780 -0.0263 -0.0769 0.0705 803 HOH A O 3565 O O . HOH F . ? 0.3705 0.4123 0.5301 0.0927 0.1359 -0.1148 804 HOH A O 3566 O O . HOH F . ? 0.3391 0.3440 0.3371 -0.0705 -0.0144 0.0347 805 HOH A O 3567 O O . HOH F . ? 0.1708 0.3617 0.2683 0.0479 -0.0154 0.1269 806 HOH A O 3568 O O . HOH F . ? 0.3464 0.3405 0.5947 0.0771 -0.0023 0.0290 807 HOH A O 3569 O O . HOH F . ? 0.3958 0.6552 0.3053 0.0788 0.0017 0.0754 808 HOH A O 3570 O O . HOH F . ? 0.2570 0.1658 0.2475 -0.0430 0.0314 0.0132 809 HOH A O 3571 O O . HOH F . ? 0.1702 0.1986 0.3073 0.0037 0.0165 -0.0042 810 HOH A O 3572 O O . HOH F . ? 0.3607 0.2930 0.3391 -0.1359 0.0142 -0.0960 811 HOH A O 3573 O O . HOH F . ? 0.1801 0.0961 0.1582 0.0171 0.0688 -0.0167 812 HOH A O 3574 O O . HOH F . ? 0.1492 0.3949 0.2145 0.0519 0.0459 0.1332 813 HOH A O 3575 O O . HOH F . ? 0.3147 0.3579 0.1727 0.0600 0.0073 -0.0710 814 HOH A O 3576 O O . HOH F . ? 0.3433 0.3476 0.3350 -0.0998 0.0079 0.0770 815 HOH A O 3577 O O . HOH F . ? 0.1427 0.1102 0.1210 -0.0171 -0.0101 0.0219 816 HOH A O 3578 O O . HOH F . ? 0.1209 0.0974 0.1566 0.0023 0.0367 -0.0031 817 HOH A O 3579 O O . HOH F . ? 0.4170 0.2649 0.2768 -0.1415 0.1692 -0.0977 818 HOH A O 3580 O O . HOH F . ? 0.2553 0.3739 0.2481 -0.0180 0.0347 0.0420 819 HOH A O 3581 O O . HOH F . ? 0.1642 0.2188 0.2371 -0.0342 0.0163 0.1079 820 HOH A O 3582 O O . HOH F . ? 0.1223 0.1437 0.1846 0.0297 0.0378 0.0049 821 HOH A O 3583 O O . HOH F . ? 0.2050 0.2480 0.2106 0.1225 0.0044 -0.0119 822 HOH A O 3584 O O . HOH F . ? 0.2318 0.1884 0.2024 0.0216 -0.0272 -0.0109 823 HOH A O 3585 O O . HOH F . ? 0.1979 0.1405 0.1531 -0.0165 0.0171 0.0058 824 HOH A O 3586 O O . HOH F . ? 0.1888 0.2104 0.1185 -0.0449 0.0344 0.0362 825 HOH A O 3587 O O . HOH F . ? 0.3623 0.2402 0.3271 -0.0936 0.0294 0.0559 826 HOH A O 3588 O O . HOH F . ? 0.1819 0.3740 0.3652 -0.0150 0.0047 -0.0340 827 HOH A O 3589 O O . HOH F . ? 0.2840 0.1262 0.2752 0.0203 -0.0673 -0.0517 828 HOH A O 3590 O O . HOH F . ? 0.4448 0.2326 0.3140 -0.0799 0.0249 -0.0274 829 HOH A O 3591 O O . HOH F . ? 0.2029 0.1899 0.1972 0.0526 0.0531 -0.0010 830 HOH A O 3592 O O . HOH F . ? 0.1350 0.1362 0.3079 0.0081 0.0870 -0.0192 831 HOH A O 3593 O O . HOH F . ? 0.1973 0.2419 0.3628 -0.0301 0.0976 -0.1004 832 HOH A O 3594 O O . HOH F . ? 0.1683 0.3526 0.2347 -0.0943 -0.0201 0.0840 833 HOH A O 3595 O O . HOH F . ? 0.1963 0.1633 0.2282 0.0188 0.0417 0.0007 834 HOH A O 3596 O O . HOH F . ? 0.3669 0.3737 0.4804 -0.1612 0.0931 -0.0696 835 HOH A O 3597 O O . HOH F . ? 0.1658 0.1806 0.1828 0.0085 0.0107 0.0073 836 HOH A O 3598 O O . HOH F . ? 0.3693 0.4450 0.4408 0.0422 0.0247 0.0058 837 HOH A O 3599 O O . HOH F . ? 0.3379 0.2322 0.3785 -0.0498 0.0372 -0.0404 838 HOH A O 3600 O O . HOH F . ? 0.3709 0.3777 0.2022 0.1103 -0.0728 -0.1117 839 HOH A O 3601 O O . HOH F . ? 0.2937 0.5243 0.4058 -0.0096 -0.1457 -0.1476 840 HOH A O 3602 O O . HOH F . ? 0.2661 0.3808 0.2629 -0.1272 -0.0257 -0.1100 841 HOH A O 3603 O O . HOH F . ? 0.1524 0.1520 0.1510 0.0119 0.0359 0.0110 842 HOH A O 3604 O O . HOH F . ? 0.3500 0.1955 0.3055 -0.0072 -0.1148 0.0403 843 HOH A O 3605 O O . HOH F . ? 0.1746 0.2704 0.2291 -0.0492 -0.0087 0.0772 844 HOH A O 3606 O O . HOH F . ? 0.4000 0.4025 0.2862 -0.0420 0.0015 0.0370 845 HOH A O 3607 O O . HOH F . ? 0.4710 0.4095 0.4986 0.0246 0.1047 -0.0059 846 HOH A O 3608 O O . HOH F . ? 0.1131 0.2234 0.3907 -0.0151 0.0057 -0.0351 847 HOH A O 3609 O O . HOH F . ? 0.4025 0.5208 0.5903 0.1644 0.0317 0.0149 848 HOH A O 3610 O O . HOH F . ? 0.3087 0.3674 0.4431 -0.0690 0.1131 0.0518 849 HOH A O 3611 O O . HOH F . ? 0.2919 0.4277 0.3877 -0.1229 -0.0318 0.0456 850 HOH A O 3612 O O . HOH F . ? 0.3446 0.3836 0.4256 0.0503 -0.0510 0.0173 851 HOH A O 3613 O O . HOH F . ? 0.4248 0.2893 0.4612 0.1025 0.0117 0.0982 852 HOH A O 3614 O O . HOH F . ? 0.1667 0.2067 0.2786 -0.0100 0.0129 0.0375 853 HOH A O 3615 O O . HOH F . ? 0.3429 0.2342 0.2258 -0.0498 0.0578 0.0063 854 HOH A O 3616 O O . HOH F . ? 0.2417 0.2675 0.1550 0.0858 0.0390 0.0260 855 HOH A O 3617 O O . HOH F . ? 0.4348 0.2182 0.1787 0.0135 0.0186 0.0144 856 HOH A O 3618 O O . HOH F . ? 0.2183 0.3807 0.3548 0.0154 0.0492 0.1451 857 HOH A O 3619 O O . HOH F . ? 0.1961 0.2048 0.1418 -0.0297 0.0198 -0.0187 858 HOH A O 3620 O O . HOH F . ? 0.4855 0.6742 0.3700 0.0208 0.0956 -0.0521 859 HOH A O 3621 O O . HOH F . ? 0.2049 0.1873 0.2522 0.0216 -0.0559 0.0274 860 HOH A O 3622 O O . HOH F . ? 0.2307 0.2085 0.2053 0.0276 -0.0530 0.0399 861 HOH A O 3623 O O . HOH F . ? 0.2536 0.4571 0.4088 -0.0739 -0.0442 -0.0206 862 HOH A O 3624 O O . HOH F . ? 0.1637 0.1936 0.2788 -0.0067 -0.0086 -0.0510 863 HOH A O 3625 O O . HOH F . ? 0.3370 0.2902 0.3399 0.0659 0.1572 0.0383 864 HOH A O 3626 O O . HOH F . ? 0.2433 0.3133 0.2239 0.0700 0.0230 0.0967 865 HOH A O 3627 O O . HOH F . ? 0.3454 0.5037 0.2222 0.0844 0.0917 -0.0108 866 HOH A O 3628 O O . HOH F . ? 0.1761 0.3434 0.3102 0.0560 -0.0526 -0.1575 867 HOH A O 3629 O O . HOH F . ? 0.4253 0.1756 0.3448 0.0237 -0.0420 -0.1315 868 HOH A O 3630 O O . HOH F . ? 0.2170 0.2245 0.2636 -0.0231 0.0325 0.0131 869 HOH A O 3631 O O . HOH F . ? 0.4644 0.3663 0.2074 0.0511 -0.0300 -0.0707 870 HOH A O 3632 O O . HOH F . ? 0.3277 0.4192 0.2124 -0.0004 -0.0688 -0.1089 871 HOH A O 3633 O O . HOH F . ? 0.4347 0.3479 0.3587 -0.0528 0.0423 -0.0683 872 HOH A O 3634 O O . HOH F . ? 0.3297 0.2495 0.2934 0.0647 0.0529 -0.0214 873 HOH A O 3635 O O . HOH F . ? 0.3078 0.3444 0.2707 -0.0462 -0.0722 -0.0226 874 HOH A O 3636 O O . HOH F . ? 0.2475 0.2275 0.2056 0.0008 0.0467 0.0419 875 HOH A O 3637 O O . HOH F . ? 0.3195 0.2697 0.2900 0.0002 0.0498 -0.0436 876 HOH A O 3638 O O . HOH F . ? 0.2175 0.2465 0.2826 -0.0310 0.0249 -0.0043 877 HOH A O 3639 O O . HOH F . ? 0.3132 0.1522 0.2898 -0.0849 0.0242 -0.0531 878 HOH A O 3640 O O . HOH F . ? 0.2220 0.2600 0.2946 0.0174 -0.0497 -0.0041 879 HOH A O 3641 O O . HOH F . ? 0.1385 0.4373 0.1702 0.0381 0.0683 0.0539 880 HOH A O 3642 O O . HOH F . ? 0.1061 0.1898 0.2669 -0.0245 0.0031 0.0067 881 HOH A O 3643 O O . HOH F . ? 0.4789 0.2666 0.3587 -0.1142 -0.0060 -0.0177 882 HOH A O 3644 O O . HOH F . ? 0.1382 0.1583 0.3372 -0.0132 0.0094 -0.0044 883 HOH A O 3645 O O . HOH F . ? 0.3812 0.2655 0.2993 -0.1460 0.1376 -0.1615 884 HOH A O 3646 O O . HOH F . ? 0.5109 0.2812 0.3188 -0.0648 0.2078 0.0149 885 HOH A O 3647 O O . HOH F . ? 0.3178 0.1753 0.1557 0.0166 0.0191 -0.0020 886 HOH A O 3648 O O . HOH F . ? 0.2382 0.2299 0.3374 -0.0075 0.0717 -0.0112 887 HOH A O 3649 O O . HOH F . ? 0.2898 0.3989 0.3450 -0.0140 -0.0237 0.0225 888 HOH A O 3650 O O . HOH F . ? 0.2490 0.2863 0.2465 0.0345 -0.0306 -0.0249 889 HOH A O 3651 O O . HOH F . ? 0.3339 0.4134 0.1805 -0.1606 -0.0808 0.0499 890 HOH A O 3652 O O . HOH F . ? 0.2851 0.2172 0.3374 0.0365 0.0025 0.1127 891 HOH A O 3653 O O . HOH F . ? 0.2216 0.1512 0.3677 -0.0224 0.0119 -0.0318 892 HOH A O 3654 O O . HOH F . ? 0.2875 0.2350 0.3458 0.0460 0.0357 0.0156 893 HOH A O 3655 O O . HOH F . ? 0.2052 0.1568 0.2080 0.0186 0.0300 -0.0540 894 HOH A O 3656 O O . HOH F . ? 0.1212 0.2097 0.3053 -0.0325 0.0144 -0.0842 895 HOH A O 3657 O O . HOH F . ? 0.3539 0.2769 0.2979 -0.0887 -0.0580 0.0091 896 HOH A O 3658 O O . HOH F . ? 0.1521 0.2680 0.3156 0.0445 -0.0465 -0.1715 897 HOH A O 3659 O O . HOH F . ? 0.1573 0.3393 0.4260 0.0413 -0.0536 0.0352 898 HOH A O 3660 O O . HOH F . ? 0.4239 0.2468 0.3563 -0.0604 0.1279 -0.0029 899 HOH A O 3661 O O . HOH F . ? 0.2525 0.3134 0.1538 0.1159 -0.0355 -0.0609 900 HOH A O 3662 O O . HOH F . ? 0.1614 0.3612 0.2415 -0.0887 -0.0073 0.0707 901 HOH A O 3663 O O . HOH F . ? 0.1814 0.3633 0.2021 -0.0140 0.0377 -0.0357 902 HOH A O 3664 O O . HOH F . ? 0.5210 0.3273 0.5842 -0.1338 0.0861 0.1465 903 HOH A O 3665 O O . HOH F . ? 0.2843 0.2302 0.1740 -0.0541 -0.0364 0.0336 904 HOH A O 3666 O O . HOH F . ? 0.3659 0.2485 0.2460 -0.0774 0.0414 -0.1201 905 HOH A O 3667 O O . HOH F . ? 0.5028 0.4736 0.4377 -0.1247 -0.0844 -0.1483 906 HOH A O 3668 O O . HOH F . ? 0.1558 0.2360 0.3664 0.0065 -0.0090 -0.0577 907 HOH A O 3669 O O . HOH F . ? 0.3661 0.1353 0.2729 0.0606 0.1770 0.0096 908 HOH A O 3670 O O . HOH F . ? 0.2580 0.2585 0.2099 -0.0200 -0.0399 0.0496 909 HOH A O 3671 O O . HOH F . ? 0.2038 0.3186 0.2731 -0.0512 -0.0064 -0.0417 910 HOH A O 3672 O O . HOH F . ? 0.3353 0.3479 0.3123 0.0351 0.1323 0.0503 911 HOH A O 3673 O O . HOH F . ? 0.6764 0.3825 0.2155 0.0592 0.0264 0.0226 912 HOH A O 3674 O O . HOH F . ? 0.2837 0.3207 0.1831 0.0531 0.0167 -0.0878 913 HOH A O 3675 O O . HOH F . ? 0.5052 0.1558 0.2766 0.0880 0.0641 -0.0233 914 HOH A O 3676 O O . HOH F . ? 0.1646 0.3236 0.2936 0.0269 0.0617 -0.0210 915 HOH A O 3677 O O . HOH F . ? 0.4486 0.1417 0.2301 0.0748 0.0425 -0.0099 916 HOH A O 3678 O O . HOH F . ? 0.2224 0.2256 0.1660 -0.0464 -0.0286 0.0457 917 HOH A O 3679 O O . HOH F . ? 0.3691 0.3280 0.2442 -0.0124 -0.0570 0.1247 918 HOH A O 3680 O O . HOH F . ? 0.2524 0.2410 0.3001 -0.0995 -0.0563 0.0279 919 HOH A O 3681 O O . HOH F . ? 0.2474 0.2915 0.3511 -0.0364 -0.0643 0.0665 920 HOH A O 3682 O O . HOH F . ? 0.1665 0.1232 0.2667 0.0164 0.0157 -0.0317 921 HOH A O 3683 O O . HOH F . ? 0.3642 0.2253 0.3577 -0.1061 -0.0786 0.0741 922 HOH A O 3684 O O . HOH F . ? 0.2931 0.2577 0.3973 -0.0392 -0.0428 0.0009 923 HOH A O 3685 O O . HOH F . ? 0.3255 0.3692 0.2334 0.0919 0.0053 0.0924 924 HOH A O 3686 O O . HOH F . ? 0.3894 0.2980 0.1902 0.0464 -0.0438 0.0043 925 HOH A O 3687 O O . HOH F . ? 0.1211 0.1222 0.1870 0.0153 0.0237 0.0248 926 HOH A O 3688 O O . HOH F . ? 0.1078 0.0957 0.1670 0.0263 0.0225 0.0111 927 HOH A O 3689 O O . HOH F . ? 0.4213 0.1536 0.1772 0.0606 0.1344 0.0378 928 HOH A O 3690 O O . HOH F . ? 0.3650 0.3373 0.3222 -0.0146 -0.0425 -0.1124 929 HOH A O 3691 O O . HOH F . ? 0.1699 0.1896 0.2151 0.0409 0.0762 0.0944 930 HOH A O 3692 O O . HOH F . ? 0.2743 0.2259 0.3458 0.0024 0.0353 -0.0076 931 HOH A O 3693 O O . HOH F . ? 0.3088 0.2522 0.3107 -0.0623 0.0033 0.0333 932 HOH A O 3694 O O . HOH F . ? 0.2569 0.2420 0.3100 -0.0222 0.0522 -0.0272 933 HOH A O 3695 O O . HOH F . ? 0.2815 0.3577 0.1254 -0.1160 -0.0104 0.0321 934 HOH A O 3696 O O . HOH F . ? 0.3781 0.2998 0.1613 -0.0776 -0.0261 -0.0027 935 HOH A O 3697 O O . HOH F . ? 0.3028 0.2774 0.2882 -0.1070 0.0811 -0.0863 936 HOH A O 3698 O O . HOH F . ? 0.2111 0.3773 0.4098 0.0895 -0.0170 -0.0448 937 HOH A O 3699 O O . HOH F . ? 0.2693 0.1954 0.2997 0.0366 -0.0280 -0.0313 938 HOH A O 3700 O O . HOH F . ? 0.2660 0.3080 0.2355 -0.0290 -0.0299 -0.0266 939 HOH A O 3701 O O . HOH F . ? 0.3113 0.2160 0.2930 -0.0642 0.0871 -0.0987 940 HOH A O 3702 O O . HOH F . ? 0.1857 0.1598 0.1302 -0.0148 0.0154 0.0304 941 HOH A O 3703 O O . HOH F . ? 0.4721 0.3270 0.3205 0.0253 -0.1332 0.0727 942 HOH A O 3704 O O . HOH F . ? 0.2550 0.2677 0.2533 0.0715 0.0034 0.0457 943 HOH A O 3705 O O . HOH F . ? 0.2314 0.1616 0.4287 -0.0628 -0.0732 0.0904 944 HOH A O 3706 O O . HOH F . ? 0.3191 0.2444 0.3029 -0.0742 0.0465 -0.0910 945 HOH A O 3707 O O . HOH F . ? 0.1387 0.2885 0.1959 -0.0120 -0.0065 -0.0393 946 HOH A O 3708 O O . HOH F . ? 0.4129 0.6053 0.3262 0.1451 -0.0875 0.0271 947 HOH A O 3709 O O . HOH F . ? 0.2843 0.5029 0.2011 0.0873 -0.0466 -0.0604 948 HOH A O 3710 O O . HOH F . ? 0.1189 0.1415 0.1275 0.0017 0.0066 0.0290 949 HOH A O 3711 O O . HOH F . ? 0.1145 0.2881 0.0915 -0.0481 0.0067 -0.0280 950 HOH A O 3712 O O . HOH F . ? 0.1358 0.1102 0.1028 -0.0121 0.0084 0.0027 951 HOH A O 3713 O O . HOH F . ? 0.1188 0.1339 0.1818 0.0009 0.0327 0.0076 952 HOH A O 3714 O O . HOH F . ? 0.1942 0.1629 0.1323 0.0079 0.0079 0.0005 953 HOH A O 3715 O O . HOH F . ? 0.1863 0.1101 0.2626 -0.0224 -0.0537 -0.0164 954 HOH A O 3716 O O . HOH F . ? 0.2563 0.1238 0.1406 -0.0303 -0.0346 0.0174 955 HOH A O 3717 O O . HOH F . ? 0.2751 0.2107 0.1573 0.0101 0.0007 -0.0173 956 HOH A O 3718 O O . HOH F . ? 0.2308 0.3033 0.2793 -0.0600 0.0528 0.1020 957 HOH A O 3719 O O . HOH F . ? 0.2696 0.1995 0.2715 0.0258 -0.0551 -0.0139 958 HOH A O 3720 O O . HOH F . ? 0.2257 0.3480 0.1909 0.0799 0.0434 0.0101 959 HOH A O 3721 O O . HOH F . ? 0.2176 0.3123 0.2395 -0.0115 0.0060 -0.0369 960 HOH A O 3722 O O . HOH F . ? 0.1610 0.3249 0.3028 0.0065 -0.0026 -0.0012 961 HOH A O 3723 O O . HOH F . ? 0.2956 0.2346 0.3827 0.1069 -0.1647 -0.0969 962 HOH A O 3724 O O . HOH F . ? 0.2104 0.3968 0.2444 -0.0623 0.0030 -0.0118 963 HOH A O 3725 O O . HOH F . ? 0.3465 0.2750 0.3443 -0.0118 -0.0491 -0.0193 964 HOH A O 3726 O O . HOH F . ? 0.2588 0.2820 0.2684 -0.0014 -0.0034 -0.0598 965 HOH A O 3727 O O . HOH F . ? 0.4221 0.3768 0.1943 0.0797 -0.0440 0.0711 966 HOH A O 3728 O O . HOH F . ? 0.1593 0.1742 0.1974 0.0317 0.0167 0.0389 967 HOH A O 3729 O O . HOH F . ? 0.1172 0.1411 0.1895 0.0158 0.0298 -0.0039 968 HOH A O 3730 O O . HOH F . ? 0.3291 0.3145 0.2011 0.0069 -0.0495 -0.0675 969 HOH A O 3731 O O . HOH F . ? 0.2065 0.3488 0.2614 -0.0046 0.0773 -0.0219 970 HOH A O 3732 O O . HOH F . ? 0.3790 0.4099 0.2469 -0.0337 -0.1092 -0.0413 971 HOH A O 3733 O O . HOH F . ? 0.2651 0.2936 0.3279 -0.0714 -0.0474 -0.0579 972 HOH A O 3734 O O . HOH F . ? 0.2685 0.2712 0.3104 -0.1076 -0.0944 -0.0165 973 HOH A O 3735 O O . HOH F . ? 0.4452 0.1291 0.3142 -0.0291 0.0915 0.0364 974 HOH A O 3736 O O . HOH F . ? 0.3063 0.4290 0.3096 -0.1238 0.0899 -0.1163 975 HOH A O 3737 O O . HOH F . ? 0.4413 0.2281 0.4433 0.0104 0.0545 0.0729 976 HOH A O 3738 O O . HOH F . ? 0.3065 0.4052 0.3140 0.0910 0.1229 -0.0154 977 HOH A O 3739 O O . HOH F . ? 0.3564 0.3102 0.2738 -0.0747 -0.0143 0.0604 978 HOH A O 3740 O O . HOH F . ? 0.1857 0.2506 0.2353 0.0653 0.0089 0.0498 979 HOH A O 3741 O O . HOH F . ? 0.3892 0.3400 0.2983 0.0168 -0.0371 -0.0630 980 HOH A O 3742 O O . HOH F . ? 0.3435 0.5288 0.2906 -0.0111 -0.0521 0.0082 981 HOH A O 3743 O O . HOH F . ? 0.1641 0.3559 0.3847 -0.0333 -0.0802 0.0381 982 HOH A O 3744 O O . HOH F . ? 0.1222 0.1530 0.2396 0.0055 0.0269 -0.0111 983 HOH A O 3745 O O . HOH F . ? 0.2466 0.2777 0.3717 -0.0017 -0.0564 -0.0882 984 HOH A O 3746 O O . HOH F . ? 0.3217 0.2745 0.2747 -0.0119 0.0287 -0.0912 985 HOH A O 3747 O O . HOH F . ? 0.2640 0.4326 0.3652 0.0031 0.0582 -0.0221 986 HOH A O 3748 O O . HOH F . ? 0.3463 0.4465 0.2045 -0.1673 -0.0024 0.1030 987 HOH A O 3749 O O . HOH F . ? 0.2907 0.4256 0.3846 -0.0500 -0.1349 0.1235 988 HOH A O 3750 O O . HOH F . ? 0.3253 0.4050 0.3123 -0.0519 0.0268 -0.0281 989 HOH A O 3751 O O . HOH F . ? 0.2425 0.2160 0.2745 -0.0284 0.0490 0.0467 990 HOH A O 3752 O O . HOH F . ? 0.3470 0.3533 0.3234 0.0173 -0.0035 -0.0736 991 HOH A O 3753 O O . HOH F . ? 0.1991 0.3002 0.2859 -0.0521 -0.0282 0.0045 992 HOH A O 3754 O O . HOH F . ? 0.1484 0.2701 0.1596 -0.0040 -0.0336 -0.0211 993 HOH A O 3755 O O . HOH F . ? 0.3843 0.3911 0.2536 0.0903 -0.0405 -0.1468 994 HOH A O 3756 O O . HOH F . ? 0.3596 0.3356 0.3099 0.0593 0.0666 0.0574 995 HOH A O 3757 O O . HOH F . ? 0.2700 0.2162 0.2040 -0.0047 -0.0695 -0.0190 996 HOH A O 3758 O O . HOH F . ? 0.1442 0.3622 0.1659 -0.0050 -0.0160 0.0196 997 HOH A O 3759 O O . HOH F . ? 0.2580 0.2410 0.2872 -0.0215 -0.0404 -0.0309 998 HOH A O 3760 O O . HOH F . ? 0.3233 0.2213 0.3990 -0.1137 0.0436 -0.0651 999 HOH A O 3761 O O . HOH F . ? 0.2291 0.5501 0.3246 0.0452 -0.0094 0.1042 1000 HOH A O 3762 O O . HOH F . ? 0.2554 0.4125 0.4429 -0.0361 -0.1029 0.0003 1001 HOH A O 3763 O O . HOH F . ? 0.3178 0.2951 0.2118 0.0748 0.0330 -0.0430 1002 HOH A O 3764 O O . HOH F . ? 0.2171 0.3556 0.3117 -0.0398 0.0251 -0.0256 1003 HOH A O 3765 O O . HOH F . ? 0.2067 0.3436 0.2078 -0.0571 -0.0428 0.0438 1004 HOH A O 3766 O O . HOH F . ? 0.2580 0.5830 0.2782 -0.2404 0.0527 -0.1894 1005 HOH A O 3767 O O . HOH F . ? 0.2588 0.2077 0.2650 -0.0259 0.0414 0.0154 1006 HOH A O 3768 O O . HOH F . ? 0.3345 0.1787 0.2677 -0.0053 0.0668 0.0396 1007 HOH A O 3769 O O . HOH F . ? 0.4246 0.1984 0.2522 -0.0076 0.1147 -0.0309 1008 HOH A O 3770 O O . HOH F . ? 0.3385 0.2237 0.2456 0.0536 0.0869 -0.0557 1009 HOH A O 3771 O O . HOH F . ? 0.1901 0.1755 0.2141 -0.0082 0.0199 0.0010 1010 HOH A O 3772 O O . HOH F . ? 0.3635 0.2858 0.2218 -0.0580 0.0406 -0.0479 1011 HOH A O 3773 O O . HOH F . ? 0.3450 0.4593 0.5903 -0.0251 -0.0194 0.0036 1012 HOH A O 3774 O O . HOH F . ? 0.4294 0.2486 0.2415 0.0585 -0.1214 -0.0549 1013 HOH A O 3775 O O . HOH F . ? 0.2692 0.2166 0.4914 -0.0132 0.0984 -0.1093 1014 HOH A O 3776 O O . HOH F . ? 0.2256 0.3963 0.4681 0.0257 0.0046 0.0677 1015 HOH A O 3777 O O . HOH F . ? 0.2727 0.2550 0.3274 -0.0169 0.0213 -0.0238 1016 HOH A O 3778 O O . HOH F . ? 0.3745 0.3037 0.3475 -0.0455 0.1276 -0.1106 1017 HOH A O 3779 O O . HOH F . ? 0.1822 0.3400 0.2910 -0.0168 0.0436 -0.0174 1018 HOH A O 3780 O O . HOH F . ? 0.2566 0.7084 0.4865 0.0131 0.1507 0.0586 1019 HOH A O 3781 O O . HOH F . ? 0.2493 0.3161 0.3241 -0.1210 0.0095 -0.0154 1020 HOH A O 3782 O O . HOH F . ? 0.4729 0.2243 0.4084 -0.0202 -0.0904 0.0336 1021 HOH A O 3783 O O . HOH F . ? 0.1959 0.2181 0.2845 0.0159 -0.0004 -0.0415 1022 HOH A O 3784 O O . HOH F . ? 0.2871 0.3257 0.4473 -0.0855 -0.2023 -0.0051 1023 HOH A O 3785 O O . HOH F . ? 0.3352 0.2222 0.2455 -0.0668 -0.0926 -0.0428 1024 HOH A O 3786 O O . HOH F . ? 0.2505 0.2515 0.3364 -0.0207 -0.1465 0.0364 1025 HOH A O 3787 O O . HOH F . ? 0.1841 0.1768 0.2064 0.0114 0.0260 0.0227 1026 HOH A O 3788 O O . HOH F . ? 0.4306 0.1473 0.3243 0.0528 0.2172 0.0141 1027 HOH A O 3789 O O . HOH F . ? 0.2504 0.2798 0.3940 0.0694 0.0004 -0.0460 1028 HOH A O 3790 O O . HOH F . ? 0.2245 0.3087 0.2308 0.0642 0.0054 0.0095 1029 HOH A O 3791 O O . HOH F . ? 0.3137 0.3116 0.4363 -0.0946 0.0505 -0.1083 1030 HOH A O 3792 O O . HOH F . ? 0.3149 0.4730 0.3629 -0.1005 0.0561 0.1549 1031 HOH A O 3793 O O . HOH F . ? 0.2935 0.2663 0.2284 0.0283 -0.0746 0.0056 1032 HOH A O 3794 O O . HOH F . ? 0.4096 0.2996 0.2572 0.0459 0.0300 -0.0068 1033 HOH A O 3795 O O . HOH F . ? 0.2167 0.3144 0.1862 0.0303 -0.0168 0.0697 1034 HOH A O 3796 O O . HOH F . ? 0.2287 0.3231 0.2677 -0.0044 0.0263 -0.0376 1035 HOH A O 3797 O O . HOH F . ? 0.2962 0.2813 0.3334 -0.0070 -0.0250 -0.0258 1036 HOH A O 3798 O O . HOH F . ? 0.3276 0.2539 0.4457 0.0256 0.0221 -0.0808 1037 HOH A O 3799 O O . HOH F . ? 0.4672 0.1645 0.4974 -0.0130 0.0960 0.0599 1038 HOH A O 3800 O O . HOH F . ? 0.4215 0.2160 0.1737 -0.0704 -0.0682 -0.0255 1039 HOH A O 3801 O O . HOH F . ? 0.7949 0.1638 0.2516 0.0329 0.1372 0.0078 1040 HOH A O 3802 O O . HOH F . ? 0.2067 0.4553 0.4057 -0.1083 0.0034 -0.0034 1041 HOH A O 3803 O O . HOH F . ? 0.1308 0.2150 0.2400 -0.0241 0.0231 0.0081 1042 HOH A O 3804 O O . HOH F . ? 0.3507 0.2620 0.5433 0.0875 0.0494 0.1469 1043 HOH A O 3805 O O . HOH F . ? 0.4190 0.2791 0.4012 -0.0502 -0.0638 -0.0147 1044 HOH A O 3806 O O . HOH F . ? 0.1112 0.1787 0.3058 0.0278 0.0203 0.0352 1045 HOH A O 3807 O O . HOH F . ? 0.3499 0.1465 0.3584 -0.0231 -0.1190 -0.0350 1046 HOH A O 3808 O O . HOH F . ? 0.6461 0.2578 0.3893 -0.1820 0.1014 -0.2051 1047 HOH A O 3809 O O . HOH F . ? 0.2838 0.6091 0.2881 -0.0805 0.0150 0.1047 1048 HOH A O 3810 O O . HOH F . ? 0.2584 0.4689 0.3208 -0.0561 0.0194 -0.0598 1049 HOH A O 3811 O O . HOH F . ? 0.2443 0.3168 0.2418 -0.0133 -0.0726 -0.0131 1050 HOH A O 3812 O O . HOH F . ? 0.2703 0.4335 0.4896 -0.0284 0.0437 0.1589 1051 HOH A O 3813 O O . HOH F . ? 0.4347 0.6154 0.4014 0.0015 -0.1226 0.0487 1052 HOH A O 3814 O O . HOH F . ? 0.2313 0.6137 0.3827 -0.0772 -0.0625 -0.0384 1053 HOH A O 3815 O O . HOH F . ? 0.4985 0.2527 0.5459 0.0560 0.1721 -0.0481 1054 HOH A O 3816 O O . HOH F . ? 0.2907 0.3949 0.1770 0.1799 -0.0943 -0.1538 1055 HOH A O 3817 O O . HOH F . ? 0.2236 0.5073 0.6071 0.0263 -0.1155 -0.0595 1056 HOH A O 3818 O O . HOH F . ? 0.1756 0.2804 0.2992 0.0279 -0.0854 -0.0696 1057 HOH A O 3819 O O . HOH F . ? 0.3049 0.2883 0.2877 0.0937 0.0246 -0.0210 1058 HOH A O 3820 O O . HOH F . ? 0.5345 0.3255 0.3027 0.0360 0.0788 0.0828 1059 HOH A O 3821 O O . HOH F . ? 0.2747 0.2119 0.2150 -0.0670 -0.0379 0.0306 1060 HOH A O 3822 O O . HOH F . ? 0.2195 0.3257 0.5205 0.0384 0.0038 -0.0329 1061 HOH A O 3823 O O . HOH F . ? 0.6591 0.3785 0.1550 0.0417 -0.0246 -0.0725 1062 HOH A O 3824 O O . HOH F . ? 0.2803 0.3303 0.2151 -0.0181 0.0063 -0.0428 1063 HOH A O 3825 O O . HOH F . ? 0.2178 0.3307 0.2080 0.0748 0.0549 0.0196 1064 HOH A O 3826 O O . HOH F . ? 0.2007 0.2551 0.2022 -0.0627 -0.0253 -0.0099 1065 HOH A O 3827 O O . HOH F . ? 0.2205 0.3700 0.3140 -0.0302 -0.0335 0.0263 1066 HOH A O 3828 O O . HOH F . ? 0.2303 0.3181 0.3506 0.0342 -0.0752 0.0217 1067 HOH A O 3829 O O . HOH F . ? 0.6371 0.3747 0.1808 0.0090 -0.0667 0.0071 1068 HOH A O 3830 O O . HOH F . ? 0.2651 0.4058 0.3675 -0.0621 0.0274 -0.0123 1069 HOH A O 3831 O O . HOH F . ? 0.1950 0.3069 0.3780 0.0205 -0.0096 -0.0426 1070 HOH A O 3832 O O . HOH F . ? 0.3826 0.2215 0.2045 0.0441 0.0401 -0.1057 1071 HOH A O 3833 O O . HOH F . ? 0.3481 0.3505 0.2656 -0.0784 0.0052 0.0212 1072 HOH A O 3834 O O . HOH F . ? 0.2942 0.3901 0.3346 -0.1179 0.0378 0.1291 1073 HOH A O 3835 O O . HOH F . ? 0.4260 0.2603 0.2527 0.0003 0.0051 0.0199 1074 HOH A O 3836 O O . HOH F . ? 0.1936 0.3648 0.4858 -0.0443 0.0955 0.0632 1075 HOH A O 3837 O O . HOH F . ? 0.3708 0.1627 0.2062 0.0183 -0.0546 -0.0165 1076 HOH A O 3838 O O . HOH F . ? 0.4542 0.2338 0.1836 -0.0543 -0.0781 0.0171 1077 HOH A O 3839 O O . HOH F . ? 0.2915 0.2671 0.3829 -0.0270 -0.0196 0.0963 1078 HOH A O 3840 O O . HOH F . ? 0.3290 0.3555 0.3347 -0.0407 0.0205 0.0609 1079 HOH A O 3841 O O . HOH F . ? 0.3014 0.3182 0.4386 0.0093 -0.0573 -0.0174 1080 HOH A O 3842 O O . HOH F . ? 0.2811 0.3663 0.1956 -0.0151 -0.0046 0.0813 1081 HOH A O 3843 O O . HOH F . ? 0.5932 0.4305 0.3357 0.0433 -0.0170 0.1963 1082 HOH A O 3844 O O . HOH F . ? 0.5731 0.3092 0.5084 0.0821 -0.1594 -0.0586 1083 HOH A O 3845 O O . HOH F . ? 0.3044 0.3781 0.6014 -0.0169 -0.0087 0.0874 1084 HOH A O 3846 O O . HOH F . ? 0.3023 0.2116 0.3472 0.0516 0.0206 0.0842 1085 HOH A O 3847 O O . HOH F . ? 0.3651 0.2359 0.2604 0.0059 0.0064 0.0630 1086 HOH A O 3848 O O . HOH F . ? 0.2113 0.2282 0.2763 0.0519 -0.0285 -0.0144 1087 HOH A O 3849 O O . HOH F . ? 0.3490 0.4626 0.4208 -0.0224 0.1417 -0.0787 1088 HOH A O 3850 O O . HOH F . ? 0.3721 0.3577 0.5205 0.0330 -0.0981 -0.0646 1089 HOH A O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 PCA 1 1 1 PCA PCA A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 ARG 5 5 5 ARG ARG A . n A 1 6 PRO 6 6 6 PRO PRO A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 ALA 8 8 8 ALA ALA A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 LYS 14 14 14 LYS LYS A . n A 1 15 LYS 15 15 15 LYS LYS A . n A 1 16 ASP 16 16 16 ASP ASP A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 THR 19 19 19 THR THR A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLN 21 21 21 GLN GLN A . n A 1 22 TYR 22 22 22 TYR TYR A . n A 1 23 VAL 23 23 23 VAL VAL A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 ILE 26 26 26 ILE ILE A . n A 1 27 ASN 27 27 27 ASN ASN A . n A 1 28 GLN 28 28 28 GLN GLN A . n A 1 29 ARG 29 29 29 ARG ARG A . n A 1 30 THR 30 30 30 THR THR A . n A 1 31 PRO 31 31 31 PRO PRO A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 VAL 33 33 33 VAL VAL A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 GLU 35 35 35 GLU GLU A . n A 1 36 ASN 36 36 36 ASN ASN A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 VAL 38 38 38 VAL VAL A . n A 1 39 VAL 39 39 39 VAL VAL A . n A 1 40 ASP 40 40 40 ASP ASP A . n A 1 41 LEU 41 41 41 LEU LEU A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 ARG 44 44 44 ARG ARG A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 LEU 46 46 46 LEU LEU A . n A 1 47 TRP 47 47 47 TRP TRP A . n A 1 48 VAL 48 48 48 VAL VAL A . n A 1 49 ASP 49 49 49 ASP ASP A . n A 1 50 CYS 50 50 50 CYS CYS A . n A 1 51 ASP 51 51 51 ASP ASP A . n A 1 52 GLN 52 52 52 GLN GLN A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 TYR 54 54 54 TYR TYR A . n A 1 55 VAL 55 55 55 VAL VAL A . n A 1 56 SER 56 56 56 SER SER A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 ARG 60 60 60 ARG ARG A . n A 1 61 PRO 61 61 61 PRO PRO A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 ARG 63 63 63 ARG ARG A . n A 1 64 CYS 64 64 64 CYS CYS A . n A 1 65 ARG 65 65 65 ARG ARG A . n A 1 66 THR 66 66 66 THR THR A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 GLN 68 68 68 GLN GLN A . n A 1 69 CYS 69 69 69 CYS CYS A . n A 1 70 SER 70 70 70 SER SER A . n A 1 71 LEU 71 71 71 LEU LEU A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 GLY 73 73 73 GLY GLY A . n A 1 74 SER 74 74 74 SER SER A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 CYS 77 77 77 CYS CYS A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 ASP 79 79 79 ASP ASP A . n A 1 80 CYS 80 80 80 CYS CYS A . n A 1 81 PHE 81 81 81 PHE PHE A . n A 1 82 ASN 82 82 82 ASN ASN A . n A 1 83 GLY 83 83 83 GLY GLY A . n A 1 84 PRO 84 84 84 PRO PRO A . n A 1 85 ARG 85 85 85 ARG ARG A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 GLY 87 87 87 GLY GLY A . n A 1 88 CYS 88 88 88 CYS CYS A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 ASN 90 90 90 ASN ASN A . n A 1 91 ASN 91 91 91 ASN ASN A . n A 1 92 THR 92 92 92 THR THR A . n A 1 93 CYS 93 93 93 CYS CYS A . n A 1 94 GLY 94 94 94 GLY GLY A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 PHE 96 96 96 PHE PHE A . n A 1 97 PRO 97 97 97 PRO PRO A . n A 1 98 GLU 98 98 98 GLU GLU A . n A 1 99 ASN 99 99 99 ASN ASN A . n A 1 100 PRO 100 100 100 PRO PRO A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 ILE 102 102 102 ILE ILE A . n A 1 103 ASN 103 103 103 ASN ASN A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 THR 106 106 106 THR THR A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 GLY 108 108 108 GLY GLY A . n A 1 109 GLU 109 109 109 GLU GLU A . n A 1 110 VAL 110 110 110 VAL VAL A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ASP 113 113 113 ASP ASP A . n A 1 114 VAL 114 114 114 VAL VAL A . n A 1 115 VAL 115 115 115 VAL VAL A . n A 1 116 SER 116 116 116 SER SER A . n A 1 117 VAL 117 117 117 VAL VAL A . n A 1 118 GLU 118 118 118 GLU GLU A . n A 1 119 SER 119 119 119 SER SER A . n A 1 120 THR 120 120 120 THR THR A . n A 1 121 ASP 121 121 121 ASP ASP A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 SER 123 123 123 SER SER A . n A 1 124 SER 124 124 124 SER SER A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 VAL 129 129 129 VAL VAL A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 VAL 131 131 131 VAL VAL A . n A 1 132 PRO 132 132 132 PRO PRO A . n A 1 133 ARG 133 133 133 ARG ARG A . n A 1 134 PHE 134 134 134 PHE PHE A . n A 1 135 ILE 135 135 135 ILE ILE A . n A 1 136 PHE 136 136 136 PHE PHE A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 CYS 138 138 138 CYS CYS A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 THR 141 141 141 THR THR A . n A 1 142 SER 142 142 142 SER SER A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 LEU 144 144 144 LEU LEU A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 ASN 146 146 146 ASN ASN A . n A 1 147 LEU 147 147 147 LEU LEU A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 GLY 150 150 150 GLY GLY A . n A 1 151 VAL 151 151 151 VAL VAL A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 GLY 153 153 153 GLY GLY A . n A 1 154 MET 154 154 154 MET MET A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 GLY 156 156 156 GLY GLY A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 GLY 158 158 158 GLY GLY A . n A 1 159 ARG 159 159 159 ARG ARG A . n A 1 160 THR 160 160 160 THR THR A . n A 1 161 ARG 161 161 161 ARG ARG A . n A 1 162 ILE 162 162 162 ILE ILE A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 PRO 165 165 165 PRO PRO A . n A 1 166 SER 166 166 166 SER SER A . n A 1 167 GLN 167 167 167 GLN GLN A . n A 1 168 PHE 168 168 168 PHE PHE A . n A 1 169 ALA 169 169 169 ALA ALA A . n A 1 170 SER 170 170 170 SER SER A . n A 1 171 ALA 171 171 171 ALA ALA A . n A 1 172 PHE 172 172 172 PHE PHE A . n A 1 173 SER 173 173 173 SER SER A . n A 1 174 PHE 174 174 174 PHE PHE A . n A 1 175 LYS 175 175 175 LYS LYS A . n A 1 176 ARG 176 176 176 ARG ARG A . n A 1 177 LYS 177 177 177 LYS LYS A . n A 1 178 PHE 178 178 178 PHE PHE A . n A 1 179 ALA 179 179 179 ALA ALA A . n A 1 180 MET 180 180 180 MET MET A . n A 1 181 CYS 181 181 181 CYS CYS A . n A 1 182 LEU 182 182 182 LEU LEU A . n A 1 183 SER 183 183 183 SER SER A . n A 1 184 GLY 184 184 184 GLY GLY A . n A 1 185 SER 185 185 185 SER SER A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 SER 188 188 188 SER SER A . n A 1 189 ASN 189 189 189 ASN ASN A . n A 1 190 SER 190 190 190 SER SER A . n A 1 191 VAL 191 191 191 VAL VAL A . n A 1 192 ILE 192 192 192 ILE ILE A . n A 1 193 ILE 193 193 193 ILE ILE A . n A 1 194 PHE 194 194 194 PHE PHE A . n A 1 195 GLY 195 195 195 GLY GLY A . n A 1 196 ASN 196 196 196 ASN ASN A . n A 1 197 ASP 197 197 197 ASP ASP A . n A 1 198 PRO 198 198 198 PRO PRO A . n A 1 199 TYR 199 199 199 TYR TYR A . n A 1 200 THR 200 200 200 THR THR A . n A 1 201 PHE 201 201 201 PHE PHE A . n A 1 202 LEU 202 202 202 LEU LEU A . n A 1 203 PRO 203 203 203 PRO PRO A . n A 1 204 ASN 204 204 204 ASN ASN A . n A 1 205 ILE 205 205 205 ILE ILE A . n A 1 206 ILE 206 206 206 ILE ILE A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 ASP 209 209 209 ASP ASP A . n A 1 210 LYS 210 210 210 LYS LYS A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 LEU 212 212 212 LEU LEU A . n A 1 213 THR 213 213 213 THR THR A . n A 1 214 TYR 214 214 214 TYR TYR A . n A 1 215 THR 215 215 215 THR THR A . n A 1 216 PRO 216 216 216 PRO PRO A . n A 1 217 LEU 217 217 217 LEU LEU A . n A 1 218 LEU 218 218 218 LEU LEU A . n A 1 219 THR 219 219 219 THR THR A . n A 1 220 ASN 220 220 220 ASN ASN A . n A 1 221 PRO 221 221 221 PRO PRO A . n A 1 222 VAL 222 222 222 VAL VAL A . n A 1 223 SER 223 223 223 SER SER A . n A 1 224 THR 224 224 224 THR THR A . n A 1 225 SER 225 225 225 SER SER A . n A 1 226 ALA 226 226 226 ALA ALA A . n A 1 227 THR 227 227 227 THR THR A . n A 1 228 SER 228 228 228 SER SER A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 GLN 230 230 230 GLN GLN A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 GLU 232 232 232 GLU GLU A . n A 1 233 PRO 233 233 233 PRO PRO A . n A 1 234 SER 234 234 234 SER SER A . n A 1 235 VAL 235 235 235 VAL VAL A . n A 1 236 GLU 236 236 236 GLU GLU A . n A 1 237 TYR 237 237 237 TYR TYR A . n A 1 238 PHE 238 238 238 PHE PHE A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 GLY 240 240 240 GLY GLY A . n A 1 241 VAL 241 241 241 VAL VAL A . n A 1 242 LYS 242 242 242 LYS LYS A . n A 1 243 SER 243 243 243 SER SER A . n A 1 244 ILE 244 244 244 ILE ILE A . n A 1 245 LYS 245 245 245 LYS LYS A . n A 1 246 ILE 246 246 246 ILE ILE A . n A 1 247 ASN 247 247 247 ASN ASN A . n A 1 248 SER 248 248 248 SER SER A . n A 1 249 LYS 249 249 249 LYS LYS A . n A 1 250 ILE 250 250 250 ILE ILE A . n A 1 251 VAL 251 251 251 VAL VAL A . n A 1 252 ALA 252 252 252 ALA ALA A . n A 1 253 LEU 253 253 253 LEU LEU A . n A 1 254 ASN 254 254 254 ASN ASN A . n A 1 255 THR 255 255 255 THR THR A . n A 1 256 SER 256 256 256 SER SER A . n A 1 257 LEU 257 257 257 LEU LEU A . n A 1 258 LEU 258 258 258 LEU LEU A . n A 1 259 SER 259 259 259 SER SER A . n A 1 260 ILE 260 260 260 ILE ILE A . n A 1 261 SER 261 261 261 SER SER A . n A 1 262 SER 262 262 262 SER SER A . n A 1 263 ALA 263 263 263 ALA ALA A . n A 1 264 GLY 264 264 264 GLY GLY A . n A 1 265 LEU 265 265 265 LEU LEU A . n A 1 266 GLY 266 266 266 GLY GLY A . n A 1 267 GLY 267 267 267 GLY GLY A . n A 1 268 THR 268 268 268 THR THR A . n A 1 269 LYS 269 269 269 LYS LYS A . n A 1 270 ILE 270 270 270 ILE ILE A . n A 1 271 SER 271 271 271 SER SER A . n A 1 272 THR 272 272 272 THR THR A . n A 1 273 ILE 273 273 273 ILE ILE A . n A 1 274 ASN 274 274 274 ASN ASN A . n A 1 275 PRO 275 275 275 PRO PRO A . n A 1 276 TYR 276 276 276 TYR TYR A . n A 1 277 THR 277 277 277 THR THR A . n A 1 278 VAL 278 278 278 VAL VAL A . n A 1 279 LEU 279 279 279 LEU LEU A . n A 1 280 GLU 280 280 280 GLU GLU A . n A 1 281 THR 281 281 281 THR THR A . n A 1 282 SER 282 282 282 SER SER A . n A 1 283 ILE 283 283 283 ILE ILE A . n A 1 284 TYR 284 284 284 TYR TYR A . n A 1 285 LYS 285 285 285 LYS LYS A . n A 1 286 ALA 286 286 286 ALA ALA A . n A 1 287 VAL 287 287 287 VAL VAL A . n A 1 288 THR 288 288 288 THR THR A . n A 1 289 GLU 289 289 289 GLU GLU A . n A 1 290 ALA 290 290 290 ALA ALA A . n A 1 291 PHE 291 291 291 PHE PHE A . n A 1 292 ILE 292 292 292 ILE ILE A . n A 1 293 LYS 293 293 293 LYS LYS A . n A 1 294 GLU 294 294 294 GLU GLU A . n A 1 295 SER 295 295 295 SER SER A . n A 1 296 ALA 296 296 296 ALA ALA A . n A 1 297 ALA 297 297 297 ALA ALA A . n A 1 298 ARG 298 298 298 ARG ARG A . n A 1 299 ASN 299 299 299 ASN ASN A . n A 1 300 ILE 300 300 300 ILE ILE A . n A 1 301 THR 301 301 301 THR THR A . n A 1 302 ARG 302 302 302 ARG ARG A . n A 1 303 VAL 303 303 303 VAL VAL A . n A 1 304 ALA 304 304 304 ALA ALA A . n A 1 305 SER 305 305 305 SER SER A . n A 1 306 VAL 306 306 306 VAL VAL A . n A 1 307 ALA 307 307 307 ALA ALA A . n A 1 308 PRO 308 308 308 PRO PRO A . n A 1 309 PHE 309 309 309 PHE PHE A . n A 1 310 GLY 310 310 310 GLY GLY A . n A 1 311 ALA 311 311 311 ALA ALA A . n A 1 312 CYS 312 312 312 CYS CYS A . n A 1 313 PHE 313 313 313 PHE PHE A . n A 1 314 SER 314 314 314 SER SER A . n A 1 315 THR 315 315 315 THR THR A . n A 1 316 ASP 316 316 316 ASP ASP A . n A 1 317 ASN 317 317 317 ASN ASN A . n A 1 318 ILE 318 318 318 ILE ILE A . n A 1 319 LEU 319 319 319 LEU LEU A . n A 1 320 SER 320 320 320 SER SER A . n A 1 321 THR 321 321 321 THR THR A . n A 1 322 ARG 322 322 322 ARG ARG A . n A 1 323 LEU 323 323 323 LEU LEU A . n A 1 324 GLY 324 324 324 GLY GLY A . n A 1 325 PRO 325 325 325 PRO PRO A . n A 1 326 SER 326 326 326 SER SER A . n A 1 327 VAL 327 327 327 VAL VAL A . n A 1 328 PRO 328 328 328 PRO PRO A . n A 1 329 SER 329 329 329 SER SER A . n A 1 330 ILE 330 330 330 ILE ILE A . n A 1 331 ASP 331 331 331 ASP ASP A . n A 1 332 LEU 332 332 332 LEU LEU A . n A 1 333 VAL 333 333 333 VAL VAL A . n A 1 334 LEU 334 334 334 LEU LEU A . n A 1 335 GLN 335 335 335 GLN GLN A . n A 1 336 SER 336 336 336 SER SER A . n A 1 337 GLU 337 337 337 GLU GLU A . n A 1 338 SER 338 338 338 SER SER A . n A 1 339 VAL 339 339 339 VAL VAL A . n A 1 340 VAL 340 340 340 VAL VAL A . n A 1 341 TRP 341 341 341 TRP TRP A . n A 1 342 THR 342 342 342 THR THR A . n A 1 343 ILE 343 343 343 ILE ILE A . n A 1 344 THR 344 344 344 THR THR A . n A 1 345 GLY 345 345 345 GLY GLY A . n A 1 346 SER 346 346 346 SER SER A . n A 1 347 ASN 347 347 347 ASN ASN A . n A 1 348 SER 348 348 348 SER SER A . n A 1 349 MET 349 349 349 MET MET A . n A 1 350 VAL 350 350 350 VAL VAL A . n A 1 351 TYR 351 351 351 TYR TYR A . n A 1 352 ILE 352 352 352 ILE ILE A . n A 1 353 ASN 353 353 353 ASN ASN A . n A 1 354 ASP 354 354 354 ASP ASP A . n A 1 355 ASN 355 355 355 ASN ASN A . n A 1 356 VAL 356 356 356 VAL VAL A . n A 1 357 VAL 357 357 357 VAL VAL A . n A 1 358 CYS 358 358 358 CYS CYS A . n A 1 359 LEU 359 359 359 LEU LEU A . n A 1 360 GLY 360 360 360 GLY GLY A . n A 1 361 VAL 361 361 361 VAL VAL A . n A 1 362 VAL 362 362 362 VAL VAL A . n A 1 363 ASP 363 363 363 ASP ASP A . n A 1 364 GLY 364 364 364 GLY GLY A . n A 1 365 GLY 365 365 365 GLY GLY A . n A 1 366 SER 366 366 366 SER SER A . n A 1 367 ASN 367 367 367 ASN ASN A . n A 1 368 LEU 368 368 368 LEU LEU A . n A 1 369 ARG 369 369 369 ARG ARG A . n A 1 370 THR 370 370 370 THR THR A . n A 1 371 SER 371 371 371 SER SER A . n A 1 372 ILE 372 372 372 ILE ILE A . n A 1 373 VAL 373 373 373 VAL VAL A . n A 1 374 ILE 374 374 374 ILE ILE A . n A 1 375 GLY 375 375 375 GLY GLY A . n A 1 376 GLY 376 376 376 GLY GLY A . n A 1 377 HIS 377 377 377 HIS HIS A . n A 1 378 GLN 378 378 378 GLN GLN A . n A 1 379 LEU 379 379 379 LEU LEU A . n A 1 380 GLU 380 380 380 GLU GLU A . n A 1 381 ASP 381 381 381 ASP ASP A . n A 1 382 ASN 382 382 382 ASN ASN A . n A 1 383 LEU 383 383 383 LEU LEU A . n A 1 384 VAL 384 384 384 VAL VAL A . n A 1 385 GLN 385 385 385 GLN GLN A . n A 1 386 PHE 386 386 386 PHE PHE A . n A 1 387 ASP 387 387 387 ASP ASP A . n A 1 388 LEU 388 388 388 LEU LEU A . n A 1 389 ALA 389 389 389 ALA ALA A . n A 1 390 THR 390 390 390 THR THR A . n A 1 391 SER 391 391 391 SER SER A . n A 1 392 ARG 392 392 392 ARG ARG A . n A 1 393 VAL 393 393 393 VAL VAL A . n A 1 394 GLY 394 394 394 GLY GLY A . n A 1 395 PHE 395 395 395 PHE PHE A . n A 1 396 SER 396 396 396 SER SER A . n A 1 397 GLY 397 397 397 GLY GLY A . n A 1 398 THR 398 398 398 THR THR A . n A 1 399 LEU 399 399 399 LEU LEU A . n A 1 400 LEU 400 400 400 LEU LEU A . n A 1 401 GLY 401 401 401 GLY GLY A . n A 1 402 SER 402 402 402 SER SER A . n A 1 403 ARG 403 403 403 ARG ARG A . n A 1 404 THR 404 404 404 THR THR A . n A 1 405 THR 405 405 405 THR THR A . n A 1 406 CYS 406 406 406 CYS CYS A . n A 1 407 ALA 407 407 407 ALA ALA A . n A 1 408 ASN 408 408 408 ASN ASN A . n A 1 409 PHE 409 409 409 PHE PHE A . n A 1 410 ASN 410 410 410 ASN ASN A . n A 1 411 PHE 411 411 411 PHE PHE A . n A 1 412 THR 412 412 412 THR THR A . n A 1 413 SER 413 413 413 SER SER A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 601 601 NAG NAG A . C 2 NAG 1 701 701 NAG NAG A . D 2 NAG 1 801 801 NAG NAG A . E 2 NAG 1 501 501 NAG NAG A . F 3 HOH 1 414 414 HOH HOH A . F 3 HOH 2 415 415 HOH HOH A . F 3 HOH 3 416 416 HOH HOH A . F 3 HOH 4 417 417 HOH HOH A . F 3 HOH 5 418 418 HOH HOH A . F 3 HOH 6 419 419 HOH HOH A . F 3 HOH 7 420 420 HOH HOH A . F 3 HOH 8 421 421 HOH HOH A . F 3 HOH 9 422 422 HOH HOH A . F 3 HOH 10 423 423 HOH HOH A . F 3 HOH 11 424 424 HOH HOH A . F 3 HOH 12 425 425 HOH HOH A . F 3 HOH 13 426 426 HOH HOH A . F 3 HOH 14 427 427 HOH HOH A . F 3 HOH 15 428 428 HOH HOH A . F 3 HOH 16 429 429 HOH HOH A . F 3 HOH 17 430 430 HOH HOH A . F 3 HOH 18 431 431 HOH HOH A . F 3 HOH 19 432 432 HOH HOH A . F 3 HOH 20 433 433 HOH HOH A . F 3 HOH 21 434 434 HOH HOH A . F 3 HOH 22 435 435 HOH HOH A . F 3 HOH 23 436 436 HOH HOH A . F 3 HOH 24 437 437 HOH HOH A . F 3 HOH 25 438 438 HOH HOH A . F 3 HOH 26 439 439 HOH HOH A . F 3 HOH 27 440 440 HOH HOH A . F 3 HOH 28 441 441 HOH HOH A . F 3 HOH 29 442 442 HOH HOH A . F 3 HOH 30 443 443 HOH HOH A . F 3 HOH 31 444 444 HOH HOH A . F 3 HOH 32 445 445 HOH HOH A . F 3 HOH 33 446 446 HOH HOH A . F 3 HOH 34 447 447 HOH HOH A . F 3 HOH 35 448 448 HOH HOH A . F 3 HOH 36 449 449 HOH HOH A . F 3 HOH 37 450 450 HOH HOH A . F 3 HOH 38 451 451 HOH HOH A . F 3 HOH 39 452 452 HOH HOH A . F 3 HOH 40 453 453 HOH HOH A . F 3 HOH 41 454 454 HOH HOH A . F 3 HOH 42 455 455 HOH HOH A . F 3 HOH 43 456 456 HOH HOH A . F 3 HOH 44 457 457 HOH HOH A . F 3 HOH 45 458 458 HOH HOH A . F 3 HOH 46 459 459 HOH HOH A . F 3 HOH 47 460 460 HOH HOH A . F 3 HOH 48 461 461 HOH HOH A . F 3 HOH 49 462 462 HOH HOH A . F 3 HOH 50 463 463 HOH HOH A . F 3 HOH 51 464 464 HOH HOH A . F 3 HOH 52 465 465 HOH HOH A . F 3 HOH 53 466 466 HOH HOH A . F 3 HOH 54 467 467 HOH HOH A . F 3 HOH 55 468 468 HOH HOH A . F 3 HOH 56 469 469 HOH HOH A . F 3 HOH 57 470 470 HOH HOH A . F 3 HOH 58 471 471 HOH HOH A . F 3 HOH 59 472 472 HOH HOH A . F 3 HOH 60 473 473 HOH HOH A . F 3 HOH 61 474 474 HOH HOH A . F 3 HOH 62 475 475 HOH HOH A . F 3 HOH 63 476 476 HOH HOH A . F 3 HOH 64 477 477 HOH HOH A . F 3 HOH 65 478 478 HOH HOH A . F 3 HOH 66 479 479 HOH HOH A . F 3 HOH 67 480 480 HOH HOH A . F 3 HOH 68 481 481 HOH HOH A . F 3 HOH 69 482 482 HOH HOH A . F 3 HOH 70 483 483 HOH HOH A . F 3 HOH 71 484 484 HOH HOH A . F 3 HOH 72 485 485 HOH HOH A . F 3 HOH 73 486 486 HOH HOH A . F 3 HOH 74 487 487 HOH HOH A . F 3 HOH 75 488 488 HOH HOH A . F 3 HOH 76 489 489 HOH HOH A . F 3 HOH 77 490 490 HOH HOH A . F 3 HOH 78 491 491 HOH HOH A . F 3 HOH 79 492 492 HOH HOH A . F 3 HOH 80 493 493 HOH HOH A . F 3 HOH 81 494 494 HOH HOH A . F 3 HOH 82 495 495 HOH HOH A . F 3 HOH 83 496 496 HOH HOH A . F 3 HOH 84 497 497 HOH HOH A . F 3 HOH 85 498 498 HOH HOH A . F 3 HOH 86 499 499 HOH HOH A . F 3 HOH 87 500 500 HOH HOH A . F 3 HOH 88 502 502 HOH HOH A . F 3 HOH 89 503 503 HOH HOH A . F 3 HOH 90 504 504 HOH HOH A . F 3 HOH 91 505 505 HOH HOH A . F 3 HOH 92 506 506 HOH HOH A . F 3 HOH 93 507 507 HOH HOH A . F 3 HOH 94 508 508 HOH HOH A . F 3 HOH 95 509 509 HOH HOH A . F 3 HOH 96 510 510 HOH HOH A . F 3 HOH 97 511 511 HOH HOH A . F 3 HOH 98 512 512 HOH HOH A . F 3 HOH 99 513 513 HOH HOH A . F 3 HOH 100 514 514 HOH HOH A . F 3 HOH 101 515 515 HOH HOH A . F 3 HOH 102 516 516 HOH HOH A . F 3 HOH 103 517 517 HOH HOH A . F 3 HOH 104 518 518 HOH HOH A . F 3 HOH 105 519 519 HOH HOH A . F 3 HOH 106 520 520 HOH HOH A . F 3 HOH 107 521 521 HOH HOH A . F 3 HOH 108 522 522 HOH HOH A . F 3 HOH 109 523 523 HOH HOH A . F 3 HOH 110 524 524 HOH HOH A . F 3 HOH 111 525 525 HOH HOH A . F 3 HOH 112 526 526 HOH HOH A . F 3 HOH 113 527 527 HOH HOH A . F 3 HOH 114 528 528 HOH HOH A . F 3 HOH 115 529 529 HOH HOH A . F 3 HOH 116 530 530 HOH HOH A . F 3 HOH 117 531 531 HOH HOH A . F 3 HOH 118 532 532 HOH HOH A . F 3 HOH 119 533 533 HOH HOH A . F 3 HOH 120 534 534 HOH HOH A . F 3 HOH 121 535 535 HOH HOH A . F 3 HOH 122 536 536 HOH HOH A . F 3 HOH 123 537 537 HOH HOH A . F 3 HOH 124 538 538 HOH HOH A . F 3 HOH 125 539 539 HOH HOH A . F 3 HOH 126 540 540 HOH HOH A . F 3 HOH 127 541 541 HOH HOH A . F 3 HOH 128 542 542 HOH HOH A . F 3 HOH 129 543 543 HOH HOH A . F 3 HOH 130 544 544 HOH HOH A . F 3 HOH 131 545 545 HOH HOH A . F 3 HOH 132 546 546 HOH HOH A . F 3 HOH 133 547 547 HOH HOH A . F 3 HOH 134 548 548 HOH HOH A . F 3 HOH 135 549 549 HOH HOH A . F 3 HOH 136 550 550 HOH HOH A . F 3 HOH 137 551 551 HOH HOH A . F 3 HOH 138 552 552 HOH HOH A . F 3 HOH 139 553 553 HOH HOH A . F 3 HOH 140 554 554 HOH HOH A . F 3 HOH 141 555 555 HOH HOH A . F 3 HOH 142 556 556 HOH HOH A . F 3 HOH 143 557 557 HOH HOH A . F 3 HOH 144 558 558 HOH HOH A . F 3 HOH 145 559 559 HOH HOH A . F 3 HOH 146 560 560 HOH HOH A . F 3 HOH 147 561 561 HOH HOH A . F 3 HOH 148 562 562 HOH HOH A . F 3 HOH 149 563 563 HOH HOH A . F 3 HOH 150 564 564 HOH HOH A . F 3 HOH 151 565 565 HOH HOH A . F 3 HOH 152 566 566 HOH HOH A . F 3 HOH 153 567 567 HOH HOH A . F 3 HOH 154 568 568 HOH HOH A . F 3 HOH 155 569 569 HOH HOH A . F 3 HOH 156 570 570 HOH HOH A . F 3 HOH 157 571 571 HOH HOH A . F 3 HOH 158 572 572 HOH HOH A . F 3 HOH 159 573 573 HOH HOH A . F 3 HOH 160 574 574 HOH HOH A . F 3 HOH 161 575 575 HOH HOH A . F 3 HOH 162 576 576 HOH HOH A . F 3 HOH 163 577 577 HOH HOH A . F 3 HOH 164 578 578 HOH HOH A . F 3 HOH 165 579 579 HOH HOH A . F 3 HOH 166 580 580 HOH HOH A . F 3 HOH 167 581 581 HOH HOH A . F 3 HOH 168 582 582 HOH HOH A . F 3 HOH 169 583 583 HOH HOH A . F 3 HOH 170 584 584 HOH HOH A . F 3 HOH 171 585 585 HOH HOH A . F 3 HOH 172 586 586 HOH HOH A . F 3 HOH 173 587 587 HOH HOH A . F 3 HOH 174 588 588 HOH HOH A . F 3 HOH 175 589 589 HOH HOH A . F 3 HOH 176 590 590 HOH HOH A . F 3 HOH 177 591 591 HOH HOH A . F 3 HOH 178 592 592 HOH HOH A . F 3 HOH 179 593 593 HOH HOH A . F 3 HOH 180 594 594 HOH HOH A . F 3 HOH 181 595 595 HOH HOH A . F 3 HOH 182 596 596 HOH HOH A . F 3 HOH 183 597 597 HOH HOH A . F 3 HOH 184 598 598 HOH HOH A . F 3 HOH 185 599 599 HOH HOH A . F 3 HOH 186 600 600 HOH HOH A . F 3 HOH 187 602 602 HOH HOH A . F 3 HOH 188 603 603 HOH HOH A . F 3 HOH 189 604 604 HOH HOH A . F 3 HOH 190 605 605 HOH HOH A . F 3 HOH 191 606 606 HOH HOH A . F 3 HOH 192 607 607 HOH HOH A . F 3 HOH 193 608 608 HOH HOH A . F 3 HOH 194 609 609 HOH HOH A . F 3 HOH 195 610 610 HOH HOH A . F 3 HOH 196 611 611 HOH HOH A . F 3 HOH 197 612 612 HOH HOH A . F 3 HOH 198 613 613 HOH HOH A . F 3 HOH 199 614 614 HOH HOH A . F 3 HOH 200 615 615 HOH HOH A . F 3 HOH 201 616 616 HOH HOH A . F 3 HOH 202 617 617 HOH HOH A . F 3 HOH 203 618 618 HOH HOH A . F 3 HOH 204 619 619 HOH HOH A . F 3 HOH 205 620 620 HOH HOH A . F 3 HOH 206 621 621 HOH HOH A . F 3 HOH 207 622 622 HOH HOH A . F 3 HOH 208 623 623 HOH HOH A . F 3 HOH 209 624 624 HOH HOH A . F 3 HOH 210 625 625 HOH HOH A . F 3 HOH 211 626 626 HOH HOH A . F 3 HOH 212 627 627 HOH HOH A . F 3 HOH 213 628 628 HOH HOH A . F 3 HOH 214 629 629 HOH HOH A . F 3 HOH 215 630 630 HOH HOH A . F 3 HOH 216 631 631 HOH HOH A . F 3 HOH 217 632 632 HOH HOH A . F 3 HOH 218 633 633 HOH HOH A . F 3 HOH 219 634 634 HOH HOH A . F 3 HOH 220 635 635 HOH HOH A . F 3 HOH 221 636 636 HOH HOH A . F 3 HOH 222 637 637 HOH HOH A . F 3 HOH 223 638 638 HOH HOH A . F 3 HOH 224 639 639 HOH HOH A . F 3 HOH 225 640 640 HOH HOH A . F 3 HOH 226 641 641 HOH HOH A . F 3 HOH 227 642 642 HOH HOH A . F 3 HOH 228 643 643 HOH HOH A . F 3 HOH 229 644 644 HOH HOH A . F 3 HOH 230 645 645 HOH HOH A . F 3 HOH 231 646 646 HOH HOH A . F 3 HOH 232 647 647 HOH HOH A . F 3 HOH 233 648 648 HOH HOH A . F 3 HOH 234 649 649 HOH HOH A . F 3 HOH 235 650 650 HOH HOH A . F 3 HOH 236 651 651 HOH HOH A . F 3 HOH 237 652 652 HOH HOH A . F 3 HOH 238 653 653 HOH HOH A . F 3 HOH 239 654 654 HOH HOH A . F 3 HOH 240 655 655 HOH HOH A . F 3 HOH 241 656 656 HOH HOH A . F 3 HOH 242 657 657 HOH HOH A . F 3 HOH 243 658 658 HOH HOH A . F 3 HOH 244 659 659 HOH HOH A . F 3 HOH 245 660 660 HOH HOH A . F 3 HOH 246 661 661 HOH HOH A . F 3 HOH 247 662 662 HOH HOH A . F 3 HOH 248 663 663 HOH HOH A . F 3 HOH 249 664 664 HOH HOH A . F 3 HOH 250 665 665 HOH HOH A . F 3 HOH 251 666 666 HOH HOH A . F 3 HOH 252 667 667 HOH HOH A . F 3 HOH 253 668 668 HOH HOH A . F 3 HOH 254 669 669 HOH HOH A . F 3 HOH 255 670 670 HOH HOH A . F 3 HOH 256 671 671 HOH HOH A . F 3 HOH 257 672 672 HOH HOH A . F 3 HOH 258 673 673 HOH HOH A . F 3 HOH 259 674 674 HOH HOH A . F 3 HOH 260 675 675 HOH HOH A . F 3 HOH 261 676 676 HOH HOH A . F 3 HOH 262 677 677 HOH HOH A . F 3 HOH 263 678 678 HOH HOH A . F 3 HOH 264 679 679 HOH HOH A . F 3 HOH 265 680 680 HOH HOH A . F 3 HOH 266 681 681 HOH HOH A . F 3 HOH 267 682 682 HOH HOH A . F 3 HOH 268 683 683 HOH HOH A . F 3 HOH 269 684 684 HOH HOH A . F 3 HOH 270 685 685 HOH HOH A . F 3 HOH 271 686 686 HOH HOH A . F 3 HOH 272 687 687 HOH HOH A . F 3 HOH 273 688 688 HOH HOH A . F 3 HOH 274 689 689 HOH HOH A . F 3 HOH 275 690 690 HOH HOH A . F 3 HOH 276 691 691 HOH HOH A . F 3 HOH 277 692 692 HOH HOH A . F 3 HOH 278 693 693 HOH HOH A . F 3 HOH 279 694 694 HOH HOH A . F 3 HOH 280 695 695 HOH HOH A . F 3 HOH 281 696 696 HOH HOH A . F 3 HOH 282 697 697 HOH HOH A . F 3 HOH 283 698 698 HOH HOH A . F 3 HOH 284 699 699 HOH HOH A . F 3 HOH 285 700 700 HOH HOH A . F 3 HOH 286 702 702 HOH HOH A . F 3 HOH 287 703 703 HOH HOH A . F 3 HOH 288 704 704 HOH HOH A . F 3 HOH 289 705 705 HOH HOH A . F 3 HOH 290 706 706 HOH HOH A . F 3 HOH 291 707 707 HOH HOH A . F 3 HOH 292 708 708 HOH HOH A . F 3 HOH 293 709 709 HOH HOH A . F 3 HOH 294 710 710 HOH HOH A . F 3 HOH 295 711 711 HOH HOH A . F 3 HOH 296 712 712 HOH HOH A . F 3 HOH 297 713 713 HOH HOH A . F 3 HOH 298 714 714 HOH HOH A . F 3 HOH 299 715 715 HOH HOH A . F 3 HOH 300 716 716 HOH HOH A . F 3 HOH 301 717 717 HOH HOH A . F 3 HOH 302 718 718 HOH HOH A . F 3 HOH 303 719 719 HOH HOH A . F 3 HOH 304 720 720 HOH HOH A . F 3 HOH 305 721 721 HOH HOH A . F 3 HOH 306 722 722 HOH HOH A . F 3 HOH 307 723 723 HOH HOH A . F 3 HOH 308 724 724 HOH HOH A . F 3 HOH 309 725 725 HOH HOH A . F 3 HOH 310 726 726 HOH HOH A . F 3 HOH 311 727 727 HOH HOH A . F 3 HOH 312 728 728 HOH HOH A . F 3 HOH 313 729 729 HOH HOH A . F 3 HOH 314 730 730 HOH HOH A . F 3 HOH 315 731 731 HOH HOH A . F 3 HOH 316 732 732 HOH HOH A . F 3 HOH 317 733 733 HOH HOH A . F 3 HOH 318 734 734 HOH HOH A . F 3 HOH 319 735 735 HOH HOH A . F 3 HOH 320 736 736 HOH HOH A . F 3 HOH 321 737 737 HOH HOH A . F 3 HOH 322 738 738 HOH HOH A . F 3 HOH 323 739 739 HOH HOH A . F 3 HOH 324 740 740 HOH HOH A . F 3 HOH 325 741 741 HOH HOH A . F 3 HOH 326 742 742 HOH HOH A . F 3 HOH 327 743 743 HOH HOH A . F 3 HOH 328 744 744 HOH HOH A . F 3 HOH 329 745 745 HOH HOH A . F 3 HOH 330 746 746 HOH HOH A . F 3 HOH 331 747 747 HOH HOH A . F 3 HOH 332 748 748 HOH HOH A . F 3 HOH 333 749 749 HOH HOH A . F 3 HOH 334 750 750 HOH HOH A . F 3 HOH 335 751 751 HOH HOH A . F 3 HOH 336 752 752 HOH HOH A . F 3 HOH 337 753 753 HOH HOH A . F 3 HOH 338 754 754 HOH HOH A . F 3 HOH 339 755 755 HOH HOH A . F 3 HOH 340 756 756 HOH HOH A . F 3 HOH 341 757 757 HOH HOH A . F 3 HOH 342 758 758 HOH HOH A . F 3 HOH 343 759 759 HOH HOH A . F 3 HOH 344 760 760 HOH HOH A . F 3 HOH 345 761 761 HOH HOH A . F 3 HOH 346 762 762 HOH HOH A . F 3 HOH 347 763 763 HOH HOH A . F 3 HOH 348 764 764 HOH HOH A . F 3 HOH 349 765 765 HOH HOH A . F 3 HOH 350 766 766 HOH HOH A . F 3 HOH 351 767 767 HOH HOH A . F 3 HOH 352 768 768 HOH HOH A . F 3 HOH 353 769 769 HOH HOH A . F 3 HOH 354 770 770 HOH HOH A . F 3 HOH 355 771 771 HOH HOH A . F 3 HOH 356 772 772 HOH HOH A . F 3 HOH 357 773 773 HOH HOH A . F 3 HOH 358 774 774 HOH HOH A . F 3 HOH 359 775 775 HOH HOH A . F 3 HOH 360 776 776 HOH HOH A . F 3 HOH 361 777 777 HOH HOH A . F 3 HOH 362 778 778 HOH HOH A . F 3 HOH 363 779 779 HOH HOH A . F 3 HOH 364 780 780 HOH HOH A . F 3 HOH 365 781 781 HOH HOH A . F 3 HOH 366 782 782 HOH HOH A . F 3 HOH 367 783 783 HOH HOH A . F 3 HOH 368 784 784 HOH HOH A . F 3 HOH 369 785 785 HOH HOH A . F 3 HOH 370 786 786 HOH HOH A . F 3 HOH 371 787 787 HOH HOH A . F 3 HOH 372 788 788 HOH HOH A . F 3 HOH 373 789 789 HOH HOH A . F 3 HOH 374 790 790 HOH HOH A . F 3 HOH 375 791 791 HOH HOH A . F 3 HOH 376 792 792 HOH HOH A . F 3 HOH 377 793 793 HOH HOH A . F 3 HOH 378 794 794 HOH HOH A . F 3 HOH 379 795 795 HOH HOH A . F 3 HOH 380 796 796 HOH HOH A . F 3 HOH 381 797 797 HOH HOH A . F 3 HOH 382 798 798 HOH HOH A . F 3 HOH 383 799 799 HOH HOH A . F 3 HOH 384 800 800 HOH HOH A . F 3 HOH 385 802 802 HOH HOH A . F 3 HOH 386 803 803 HOH HOH A . F 3 HOH 387 804 804 HOH HOH A . F 3 HOH 388 805 805 HOH HOH A . F 3 HOH 389 806 806 HOH HOH A . F 3 HOH 390 807 807 HOH HOH A . F 3 HOH 391 808 808 HOH HOH A . F 3 HOH 392 809 809 HOH HOH A . F 3 HOH 393 810 810 HOH HOH A . F 3 HOH 394 811 811 HOH HOH A . F 3 HOH 395 812 812 HOH HOH A . F 3 HOH 396 813 813 HOH HOH A . F 3 HOH 397 814 814 HOH HOH A . F 3 HOH 398 815 815 HOH HOH A . F 3 HOH 399 816 816 HOH HOH A . F 3 HOH 400 817 817 HOH HOH A . F 3 HOH 401 818 818 HOH HOH A . F 3 HOH 402 819 819 HOH HOH A . F 3 HOH 403 820 820 HOH HOH A . F 3 HOH 404 821 821 HOH HOH A . F 3 HOH 405 822 822 HOH HOH A . F 3 HOH 406 823 823 HOH HOH A . F 3 HOH 407 824 824 HOH HOH A . F 3 HOH 408 825 825 HOH HOH A . F 3 HOH 409 826 826 HOH HOH A . F 3 HOH 410 827 827 HOH HOH A . F 3 HOH 411 828 828 HOH HOH A . F 3 HOH 412 829 829 HOH HOH A . F 3 HOH 413 830 830 HOH HOH A . F 3 HOH 414 831 831 HOH HOH A . F 3 HOH 415 832 832 HOH HOH A . F 3 HOH 416 833 833 HOH HOH A . F 3 HOH 417 834 834 HOH HOH A . F 3 HOH 418 835 835 HOH HOH A . F 3 HOH 419 836 836 HOH HOH A . F 3 HOH 420 837 837 HOH HOH A . F 3 HOH 421 838 838 HOH HOH A . F 3 HOH 422 839 839 HOH HOH A . F 3 HOH 423 840 840 HOH HOH A . F 3 HOH 424 841 841 HOH HOH A . F 3 HOH 425 842 842 HOH HOH A . F 3 HOH 426 843 843 HOH HOH A . F 3 HOH 427 844 844 HOH HOH A . F 3 HOH 428 845 845 HOH HOH A . F 3 HOH 429 846 846 HOH HOH A . F 3 HOH 430 847 847 HOH HOH A . F 3 HOH 431 848 848 HOH HOH A . F 3 HOH 432 849 849 HOH HOH A . F 3 HOH 433 850 850 HOH HOH A . F 3 HOH 434 851 851 HOH HOH A . F 3 HOH 435 852 852 HOH HOH A . F 3 HOH 436 853 853 HOH HOH A . F 3 HOH 437 854 854 HOH HOH A . F 3 HOH 438 855 855 HOH HOH A . F 3 HOH 439 856 856 HOH HOH A . F 3 HOH 440 857 857 HOH HOH A . F 3 HOH 441 858 858 HOH HOH A . F 3 HOH 442 859 859 HOH HOH A . F 3 HOH 443 860 860 HOH HOH A . F 3 HOH 444 861 861 HOH HOH A . F 3 HOH 445 862 862 HOH HOH A . F 3 HOH 446 863 863 HOH HOH A . F 3 HOH 447 864 864 HOH HOH A . F 3 HOH 448 865 865 HOH HOH A . F 3 HOH 449 866 866 HOH HOH A . F 3 HOH 450 867 867 HOH HOH A . F 3 HOH 451 868 868 HOH HOH A . F 3 HOH 452 869 869 HOH HOH A . F 3 HOH 453 870 870 HOH HOH A . F 3 HOH 454 871 871 HOH HOH A . F 3 HOH 455 872 872 HOH HOH A . F 3 HOH 456 873 873 HOH HOH A . F 3 HOH 457 874 874 HOH HOH A . F 3 HOH 458 875 875 HOH HOH A . F 3 HOH 459 876 876 HOH HOH A . F 3 HOH 460 877 877 HOH HOH A . F 3 HOH 461 878 878 HOH HOH A . F 3 HOH 462 879 879 HOH HOH A . F 3 HOH 463 880 880 HOH HOH A . F 3 HOH 464 881 881 HOH HOH A . F 3 HOH 465 882 882 HOH HOH A . F 3 HOH 466 883 883 HOH HOH A . F 3 HOH 467 884 884 HOH HOH A . F 3 HOH 468 885 885 HOH HOH A . F 3 HOH 469 886 886 HOH HOH A . F 3 HOH 470 887 887 HOH HOH A . F 3 HOH 471 888 888 HOH HOH A . F 3 HOH 472 889 889 HOH HOH A . F 3 HOH 473 890 890 HOH HOH A . F 3 HOH 474 891 891 HOH HOH A . F 3 HOH 475 892 892 HOH HOH A . F 3 HOH 476 893 893 HOH HOH A . F 3 HOH 477 894 894 HOH HOH A . F 3 HOH 478 895 895 HOH HOH A . F 3 HOH 479 896 896 HOH HOH A . F 3 HOH 480 897 897 HOH HOH A . F 3 HOH 481 898 898 HOH HOH A . F 3 HOH 482 899 899 HOH HOH A . F 3 HOH 483 900 900 HOH HOH A . F 3 HOH 484 901 901 HOH HOH A . F 3 HOH 485 902 902 HOH HOH A . F 3 HOH 486 903 903 HOH HOH A . F 3 HOH 487 904 904 HOH HOH A . F 3 HOH 488 905 905 HOH HOH A . F 3 HOH 489 906 906 HOH HOH A . F 3 HOH 490 907 907 HOH HOH A . F 3 HOH 491 908 908 HOH HOH A . F 3 HOH 492 909 909 HOH HOH A . F 3 HOH 493 910 910 HOH HOH A . F 3 HOH 494 911 911 HOH HOH A . F 3 HOH 495 912 912 HOH HOH A . F 3 HOH 496 913 913 HOH HOH A . F 3 HOH 497 914 914 HOH HOH A . F 3 HOH 498 915 915 HOH HOH A . F 3 HOH 499 916 916 HOH HOH A . F 3 HOH 500 917 917 HOH HOH A . F 3 HOH 501 918 918 HOH HOH A . F 3 HOH 502 919 919 HOH HOH A . F 3 HOH 503 920 920 HOH HOH A . F 3 HOH 504 921 921 HOH HOH A . F 3 HOH 505 922 922 HOH HOH A . F 3 HOH 506 923 923 HOH HOH A . F 3 HOH 507 924 924 HOH HOH A . F 3 HOH 508 925 925 HOH HOH A . F 3 HOH 509 926 926 HOH HOH A . F 3 HOH 510 927 927 HOH HOH A . F 3 HOH 511 928 928 HOH HOH A . F 3 HOH 512 929 929 HOH HOH A . F 3 HOH 513 930 930 HOH HOH A . F 3 HOH 514 931 931 HOH HOH A . F 3 HOH 515 932 932 HOH HOH A . F 3 HOH 516 933 933 HOH HOH A . F 3 HOH 517 934 934 HOH HOH A . F 3 HOH 518 935 935 HOH HOH A . F 3 HOH 519 936 936 HOH HOH A . F 3 HOH 520 937 937 HOH HOH A . F 3 HOH 521 938 938 HOH HOH A . F 3 HOH 522 939 939 HOH HOH A . F 3 HOH 523 940 940 HOH HOH A . F 3 HOH 524 941 941 HOH HOH A . F 3 HOH 525 942 942 HOH HOH A . F 3 HOH 526 943 943 HOH HOH A . F 3 HOH 527 944 944 HOH HOH A . F 3 HOH 528 945 945 HOH HOH A . F 3 HOH 529 946 946 HOH HOH A . F 3 HOH 530 947 947 HOH HOH A . F 3 HOH 531 948 948 HOH HOH A . F 3 HOH 532 949 949 HOH HOH A . F 3 HOH 533 950 950 HOH HOH A . F 3 HOH 534 951 951 HOH HOH A . F 3 HOH 535 952 952 HOH HOH A . F 3 HOH 536 953 953 HOH HOH A . F 3 HOH 537 954 954 HOH HOH A . F 3 HOH 538 955 955 HOH HOH A . F 3 HOH 539 956 956 HOH HOH A . F 3 HOH 540 957 957 HOH HOH A . F 3 HOH 541 958 958 HOH HOH A . F 3 HOH 542 959 959 HOH HOH A . F 3 HOH 543 960 960 HOH HOH A . F 3 HOH 544 961 961 HOH HOH A . F 3 HOH 545 962 962 HOH HOH A . F 3 HOH 546 963 963 HOH HOH A . F 3 HOH 547 964 964 HOH HOH A . F 3 HOH 548 965 965 HOH HOH A . F 3 HOH 549 966 966 HOH HOH A . F 3 HOH 550 967 967 HOH HOH A . F 3 HOH 551 968 968 HOH HOH A . F 3 HOH 552 969 969 HOH HOH A . F 3 HOH 553 970 970 HOH HOH A . F 3 HOH 554 971 971 HOH HOH A . F 3 HOH 555 972 972 HOH HOH A . F 3 HOH 556 973 973 HOH HOH A . F 3 HOH 557 974 974 HOH HOH A . F 3 HOH 558 975 975 HOH HOH A . F 3 HOH 559 976 976 HOH HOH A . F 3 HOH 560 977 977 HOH HOH A . F 3 HOH 561 978 978 HOH HOH A . F 3 HOH 562 979 979 HOH HOH A . F 3 HOH 563 980 980 HOH HOH A . F 3 HOH 564 981 981 HOH HOH A . F 3 HOH 565 982 982 HOH HOH A . F 3 HOH 566 983 983 HOH HOH A . F 3 HOH 567 984 984 HOH HOH A . F 3 HOH 568 985 985 HOH HOH A . F 3 HOH 569 986 986 HOH HOH A . F 3 HOH 570 987 987 HOH HOH A . F 3 HOH 571 988 988 HOH HOH A . F 3 HOH 572 989 989 HOH HOH A . F 3 HOH 573 990 990 HOH HOH A . F 3 HOH 574 991 991 HOH HOH A . F 3 HOH 575 992 992 HOH HOH A . F 3 HOH 576 993 993 HOH HOH A . F 3 HOH 577 994 994 HOH HOH A . F 3 HOH 578 995 995 HOH HOH A . F 3 HOH 579 996 996 HOH HOH A . F 3 HOH 580 997 997 HOH HOH A . F 3 HOH 581 998 998 HOH HOH A . F 3 HOH 582 999 999 HOH HOH A . F 3 HOH 583 1000 1000 HOH HOH A . F 3 HOH 584 1001 1001 HOH HOH A . F 3 HOH 585 1002 1002 HOH HOH A . F 3 HOH 586 1003 1003 HOH HOH A . F 3 HOH 587 1004 1004 HOH HOH A . F 3 HOH 588 1005 1005 HOH HOH A . F 3 HOH 589 1006 1006 HOH HOH A . F 3 HOH 590 1007 1007 HOH HOH A . F 3 HOH 591 1008 1008 HOH HOH A . F 3 HOH 592 1009 1009 HOH HOH A . F 3 HOH 593 1010 1010 HOH HOH A . F 3 HOH 594 1011 1011 HOH HOH A . F 3 HOH 595 1012 1012 HOH HOH A . F 3 HOH 596 1013 1013 HOH HOH A . F 3 HOH 597 1014 1014 HOH HOH A . F 3 HOH 598 1015 1015 HOH HOH A . F 3 HOH 599 1016 1016 HOH HOH A . F 3 HOH 600 1017 1017 HOH HOH A . F 3 HOH 601 1018 1018 HOH HOH A . F 3 HOH 602 1019 1019 HOH HOH A . F 3 HOH 603 1020 1020 HOH HOH A . F 3 HOH 604 1021 1021 HOH HOH A . F 3 HOH 605 1022 1022 HOH HOH A . F 3 HOH 606 1023 1023 HOH HOH A . F 3 HOH 607 1024 1024 HOH HOH A . F 3 HOH 608 1025 1025 HOH HOH A . F 3 HOH 609 1026 1026 HOH HOH A . F 3 HOH 610 1027 1027 HOH HOH A . F 3 HOH 611 1028 1028 HOH HOH A . F 3 HOH 612 1029 1029 HOH HOH A . F 3 HOH 613 1030 1030 HOH HOH A . F 3 HOH 614 1031 1031 HOH HOH A . F 3 HOH 615 1032 1032 HOH HOH A . F 3 HOH 616 1033 1033 HOH HOH A . F 3 HOH 617 1034 1034 HOH HOH A . F 3 HOH 618 1035 1035 HOH HOH A . F 3 HOH 619 1036 1036 HOH HOH A . F 3 HOH 620 1037 1037 HOH HOH A . F 3 HOH 621 1038 1038 HOH HOH A . F 3 HOH 622 1039 1039 HOH HOH A . F 3 HOH 623 1040 1040 HOH HOH A . F 3 HOH 624 1041 1041 HOH HOH A . F 3 HOH 625 1042 1042 HOH HOH A . F 3 HOH 626 1043 1043 HOH HOH A . F 3 HOH 627 1044 1044 HOH HOH A . F 3 HOH 628 1045 1045 HOH HOH A . F 3 HOH 629 1046 1046 HOH HOH A . F 3 HOH 630 1047 1047 HOH HOH A . F 3 HOH 631 1048 1048 HOH HOH A . F 3 HOH 632 1049 1049 HOH HOH A . F 3 HOH 633 1050 1050 HOH HOH A . F 3 HOH 634 1051 1051 HOH HOH A . F 3 HOH 635 1052 1052 HOH HOH A . F 3 HOH 636 1053 1053 HOH HOH A . F 3 HOH 637 1054 1054 HOH HOH A . F 3 HOH 638 1055 1055 HOH HOH A . F 3 HOH 639 1056 1056 HOH HOH A . F 3 HOH 640 1057 1057 HOH HOH A . F 3 HOH 641 1058 1058 HOH HOH A . F 3 HOH 642 1059 1059 HOH HOH A . F 3 HOH 643 1060 1060 HOH HOH A . F 3 HOH 644 1061 1061 HOH HOH A . F 3 HOH 645 1062 1062 HOH HOH A . F 3 HOH 646 1063 1063 HOH HOH A . F 3 HOH 647 1064 1064 HOH HOH A . F 3 HOH 648 1065 1065 HOH HOH A . F 3 HOH 649 1066 1066 HOH HOH A . F 3 HOH 650 1067 1067 HOH HOH A . F 3 HOH 651 1068 1068 HOH HOH A . F 3 HOH 652 1069 1069 HOH HOH A . F 3 HOH 653 1070 1070 HOH HOH A . F 3 HOH 654 1071 1071 HOH HOH A . F 3 HOH 655 1072 1072 HOH HOH A . F 3 HOH 656 1073 1073 HOH HOH A . F 3 HOH 657 1074 1074 HOH HOH A . F 3 HOH 658 1075 1075 HOH HOH A . F 3 HOH 659 1076 1076 HOH HOH A . F 3 HOH 660 1077 1077 HOH HOH A . F 3 HOH 661 1078 1078 HOH HOH A . F 3 HOH 662 1079 1079 HOH HOH A . F 3 HOH 663 1080 1080 HOH HOH A . F 3 HOH 664 1081 1081 HOH HOH A . F 3 HOH 665 1082 1082 HOH HOH A . F 3 HOH 666 1083 1083 HOH HOH A . F 3 HOH 667 1084 1084 HOH HOH A . F 3 HOH 668 1085 1085 HOH HOH A . F 3 HOH 669 1086 1086 HOH HOH A . F 3 HOH 670 1087 1087 HOH HOH A . F 3 HOH 671 1088 1088 HOH HOH A . F 3 HOH 672 1089 1089 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 254 A ASN 254 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 410 A ASN 410 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 299 A ASN 299 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 90 A ASN 90 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2012-04-18 2 'Structure model' 1 1 2012-04-25 3 'Structure model' 1 2 2013-08-14 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # _software.name REFMAC _software.classification refinement _software.version 5.6.0117 _software.citation_id ? _software.pdbx_ordinal 1 # _pdbx_entry_details.entry_id 3VLA _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'THE N-TERMINAL GLN IS CONVERTED TO PCA BY POST-TRANSLATIONAL MODIFICATION.' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A LEU 32 ? B CG A LEU 32 ? B CD1 A LEU 32 ? B 96.66 111.00 -14.34 1.70 N 2 1 NE A ARG 127 ? ? CZ A ARG 127 ? ? NH1 A ARG 127 ? ? 116.99 120.30 -3.31 0.50 N 3 1 NE A ARG 127 ? ? CZ A ARG 127 ? ? NH2 A ARG 127 ? ? 124.88 120.30 4.58 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ARG A 29 ? ? 83.18 169.03 2 1 PHE A 81 ? ? -93.60 53.35 3 1 ARG A 85 ? ? 176.30 179.82 4 1 SER A 190 ? ? -107.15 -160.46 5 1 ASN A 204 ? ? -160.60 39.47 6 1 LEU A 334 ? ? -102.16 -125.84 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #