data_4MAV # _entry.id 4MAV # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4MAV RCSB RCSB081683 WWPDB D_1000081683 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 2O9O _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4MAV _pdbx_database_status.recvd_initial_deposition_date 2013-08-17 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamini, S.' 1 'Chaudhary, A.' 2 'Sinha, M.' 3 'Kaur, P.' 4 'Sharma, S.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yamini, S.' 1 primary 'Chaudhary, A.' 2 primary 'Sinha, M.' 3 primary 'Kaur, P.' 4 primary 'Sharma, S.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 4MAV _cell.length_a 60.809 _cell.length_b 66.943 _cell.length_c 106.540 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _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 4MAV _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _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 nat 'Chitinase-3-like protein 1' 40942.238 1 ? ? A ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 4 non-polymer man RIBOSE 150.130 1 ? ? ? ? 5 water nat water 18.015 110 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Mammary gland protein 40, SPB-40' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYSFANISNNEIDTWEWNDVTLYDTLNTLKNRNPNLKTLLSVGGWNY GSQRFSKIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLWPGWRDKRHLTTLVKEMKAEFVREAQAGTEQLLLSAAVTAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFRGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSYTLASSKTDVGAPISGPGIPGRFTKWKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAIKDVLARV ; _entity_poly.pdbx_seq_one_letter_code_can ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYSFANISNNEIDTWEWNDVTLYDTLNTLKNRNPNLKTLLSVGGWNY GSQRFSKIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLWPGWRDKRHLTTLVKEMKAEFVREAQAGTEQLLLSAAVTAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFRGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSYTLASSKTDVGAPISGPGIPGRFTKWKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAIKDVLARV ; _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 TYR n 1 2 LYS n 1 3 LEU n 1 4 ILE n 1 5 CYS n 1 6 TYR n 1 7 TYR n 1 8 THR n 1 9 SER n 1 10 TRP n 1 11 SER n 1 12 GLN n 1 13 TYR n 1 14 ARG n 1 15 GLU n 1 16 GLY n 1 17 ASP n 1 18 GLY n 1 19 SER n 1 20 CYS n 1 21 PHE n 1 22 PRO n 1 23 ASP n 1 24 ALA n 1 25 ILE n 1 26 ASP n 1 27 PRO n 1 28 PHE n 1 29 LEU n 1 30 CYS n 1 31 THR n 1 32 HIS n 1 33 VAL n 1 34 ILE n 1 35 TYR n 1 36 SER n 1 37 PHE n 1 38 ALA n 1 39 ASN n 1 40 ILE n 1 41 SER n 1 42 ASN n 1 43 ASN n 1 44 GLU n 1 45 ILE n 1 46 ASP n 1 47 THR n 1 48 TRP n 1 49 GLU n 1 50 TRP n 1 51 ASN n 1 52 ASP n 1 53 VAL n 1 54 THR n 1 55 LEU n 1 56 TYR n 1 57 ASP n 1 58 THR n 1 59 LEU n 1 60 ASN n 1 61 THR n 1 62 LEU n 1 63 LYS n 1 64 ASN n 1 65 ARG n 1 66 ASN n 1 67 PRO n 1 68 ASN n 1 69 LEU n 1 70 LYS n 1 71 THR n 1 72 LEU n 1 73 LEU n 1 74 SER n 1 75 VAL n 1 76 GLY n 1 77 GLY n 1 78 TRP n 1 79 ASN n 1 80 TYR n 1 81 GLY n 1 82 SER n 1 83 GLN n 1 84 ARG n 1 85 PHE n 1 86 SER n 1 87 LYS n 1 88 ILE n 1 89 ALA n 1 90 SER n 1 91 LYS n 1 92 THR n 1 93 GLN n 1 94 SER n 1 95 ARG n 1 96 ARG n 1 97 THR n 1 98 PHE n 1 99 ILE n 1 100 LYS n 1 101 SER n 1 102 VAL n 1 103 PRO n 1 104 PRO n 1 105 PHE n 1 106 LEU n 1 107 ARG n 1 108 THR n 1 109 HIS n 1 110 GLY n 1 111 PHE n 1 112 ASP n 1 113 GLY n 1 114 LEU n 1 115 ASP n 1 116 LEU n 1 117 ALA n 1 118 TRP n 1 119 LEU n 1 120 TRP n 1 121 PRO n 1 122 GLY n 1 123 TRP n 1 124 ARG n 1 125 ASP n 1 126 LYS n 1 127 ARG n 1 128 HIS n 1 129 LEU n 1 130 THR n 1 131 THR n 1 132 LEU n 1 133 VAL n 1 134 LYS n 1 135 GLU n 1 136 MET n 1 137 LYS n 1 138 ALA n 1 139 GLU n 1 140 PHE n 1 141 VAL n 1 142 ARG n 1 143 GLU n 1 144 ALA n 1 145 GLN n 1 146 ALA n 1 147 GLY n 1 148 THR n 1 149 GLU n 1 150 GLN n 1 151 LEU n 1 152 LEU n 1 153 LEU n 1 154 SER n 1 155 ALA n 1 156 ALA n 1 157 VAL n 1 158 THR n 1 159 ALA n 1 160 GLY n 1 161 LYS n 1 162 ILE n 1 163 ALA n 1 164 ILE n 1 165 ASP n 1 166 ARG n 1 167 GLY n 1 168 TYR n 1 169 ASP n 1 170 ILE n 1 171 ALA n 1 172 GLN n 1 173 ILE n 1 174 SER n 1 175 ARG n 1 176 HIS n 1 177 LEU n 1 178 ASP n 1 179 PHE n 1 180 ILE n 1 181 SER n 1 182 LEU n 1 183 LEU n 1 184 THR n 1 185 TYR n 1 186 ASP n 1 187 PHE n 1 188 HIS n 1 189 GLY n 1 190 ALA n 1 191 TRP n 1 192 ARG n 1 193 GLN n 1 194 THR n 1 195 VAL n 1 196 GLY n 1 197 HIS n 1 198 HIS n 1 199 SER n 1 200 PRO n 1 201 LEU n 1 202 PHE n 1 203 ARG n 1 204 GLY n 1 205 ASN n 1 206 GLU n 1 207 ASP n 1 208 ALA n 1 209 SER n 1 210 SER n 1 211 ARG n 1 212 PHE n 1 213 SER n 1 214 ASN n 1 215 ALA n 1 216 ASP n 1 217 TYR n 1 218 ALA n 1 219 VAL n 1 220 SER n 1 221 TYR n 1 222 MET n 1 223 LEU n 1 224 ARG n 1 225 LEU n 1 226 GLY n 1 227 ALA n 1 228 PRO n 1 229 ALA n 1 230 ASN n 1 231 LYS n 1 232 LEU n 1 233 VAL n 1 234 MET n 1 235 GLY n 1 236 ILE n 1 237 PRO n 1 238 THR n 1 239 PHE n 1 240 GLY n 1 241 ARG n 1 242 SER n 1 243 TYR n 1 244 THR n 1 245 LEU n 1 246 ALA n 1 247 SER n 1 248 SER n 1 249 LYS n 1 250 THR n 1 251 ASP n 1 252 VAL n 1 253 GLY n 1 254 ALA n 1 255 PRO n 1 256 ILE n 1 257 SER n 1 258 GLY n 1 259 PRO n 1 260 GLY n 1 261 ILE n 1 262 PRO n 1 263 GLY n 1 264 ARG n 1 265 PHE n 1 266 THR n 1 267 LYS n 1 268 TRP n 1 269 LYS n 1 270 GLY n 1 271 ILE n 1 272 LEU n 1 273 ALA n 1 274 TYR n 1 275 TYR n 1 276 GLU n 1 277 ILE n 1 278 CYS n 1 279 ASP n 1 280 PHE n 1 281 LEU n 1 282 HIS n 1 283 GLY n 1 284 ALA n 1 285 THR n 1 286 THR n 1 287 HIS n 1 288 ARG n 1 289 PHE n 1 290 ARG n 1 291 ASP n 1 292 GLN n 1 293 GLN n 1 294 VAL n 1 295 PRO n 1 296 TYR n 1 297 ALA n 1 298 THR n 1 299 LYS n 1 300 GLY n 1 301 ASN n 1 302 GLN n 1 303 TRP n 1 304 VAL n 1 305 ALA n 1 306 TYR n 1 307 ASP n 1 308 ASP n 1 309 GLN n 1 310 GLU n 1 311 SER n 1 312 VAL n 1 313 LYS n 1 314 ASN n 1 315 LYS n 1 316 ALA n 1 317 ARG n 1 318 TYR n 1 319 LEU n 1 320 LYS n 1 321 ASN n 1 322 ARG n 1 323 GLN n 1 324 LEU n 1 325 ALA n 1 326 GLY n 1 327 ALA n 1 328 MET n 1 329 VAL n 1 330 TRP n 1 331 ALA n 1 332 LEU n 1 333 ASP n 1 334 LEU n 1 335 ASP n 1 336 ASP n 1 337 PHE n 1 338 ARG n 1 339 GLY n 1 340 THR n 1 341 PHE n 1 342 CYS n 1 343 GLY n 1 344 GLN n 1 345 ASN n 1 346 LEU n 1 347 THR n 1 348 PHE n 1 349 PRO n 1 350 LEU n 1 351 THR n 1 352 SER n 1 353 ALA n 1 354 ILE n 1 355 LYS n 1 356 ASP n 1 357 VAL n 1 358 LEU n 1 359 ALA n 1 360 ARG n 1 361 VAL n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'domestic water buffalo, river buffalo' _entity_src_nat.pdbx_organism_scientific 'Bubalus bubalis' _entity_src_nat.pdbx_ncbi_taxonomy_id 89462 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code CH3L1_BUBBU _struct_ref.pdbx_db_accession Q7YS85 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YKLICYYTSWSQYREGDGSCFPDAIDPFLCTHVIYSFANISNNEIDTWEWNDVTLYDTLNTLKNRNPNLKTLLSVGGWNY GSQRFSKIASKTQSRRTFIKSVPPFLRTHGFDGLDLAWLWPGWRDKRHLTTLVKEMKAEFVREAQAGTEQLLLSAAVTAG KIAIDRGYDIAQISRHLDFISLLTYDFHGAWRQTVGHHSPLFRGNEDASSRFSNADYAVSYMLRLGAPANKLVMGIPTFG RSYTLASSKTDVGAPISGPGIPGRFTKWKGILAYYEICDFLHGATTHRFRDQQVPYATKGNQWVAYDDQESVKNKARYLK NRQLAGAMVWALDLDDFRGTFCGQNLTFPLTSAIKDVLARV ; _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4MAV _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 361 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q7YS85 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 361 _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 362 # 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 RIB saccharide . RIBOSE ? 'C5 H10 O5' 150.130 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 4MAV _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.65 _exptl_crystal.density_percent_sol 53.55 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8 _exptl_crystal_grow.pdbx_details '25mM Tris, 50mM NaCl, 20% ethanol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2013-07-19 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97 # _reflns.entry_id 4MAV _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 2.79 _reflns.number_obs 11280 _reflns.number_all 11280 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.108 _reflns.pdbx_netI_over_sigmaI 16.6 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.80 _reflns_shell.d_res_low 2.85 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.46 _reflns_shell.meanI_over_sigI_obs 4.1 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4MAV _refine.ls_number_reflns_obs 10703 _refine.ls_number_reflns_all 11280 _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 41.72 _refine.ls_d_res_high 2.79 _refine.ls_percent_reflns_obs 99.56 _refine.ls_R_factor_obs 0.18239 _refine.ls_R_factor_all 0.18241 _refine.ls_R_factor_R_work 0.18192 _refine.ls_R_factor_R_free 0.23391 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 535 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.935 _refine.correlation_coeff_Fo_to_Fc_free 0.861 _refine.B_iso_mean 32.923 _refine.aniso_B[1][1] -0.74 _refine.aniso_B[2][2] -1.17 _refine.aniso_B[3][3] 1.91 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2O9O _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free 0.384 _refine.overall_SU_ML 0.275 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 13.766 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _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 2894 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 30 _refine_hist.number_atoms_solvent 110 _refine_hist.number_atoms_total 3034 _refine_hist.d_res_high 2.79 _refine_hist.d_res_low 41.72 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.012 0.019 ? 3009 ? 'X-RAY DIFFRACTION' r_bond_other_d 0.002 0.020 ? 2782 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.861 1.946 ? 4090 ? 'X-RAY DIFFRACTION' r_angle_other_deg 0.849 3.001 ? 6361 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 7.000 5.000 ? 357 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 35.309 22.817 ? 142 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 21.274 15.000 ? 474 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 20.704 15.000 ? 23 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.086 0.200 ? 441 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.005 0.020 ? 3388 ? 'X-RAY DIFFRACTION' r_gen_planes_other 0.001 0.020 ? 759 ? 'X-RAY DIFFRACTION' r_mcbond_it 2.227 3.153 ? 1437 ? 'X-RAY DIFFRACTION' r_mcbond_other 2.216 3.149 ? 1436 ? 'X-RAY DIFFRACTION' r_mcangle_it 3.824 4.718 ? 1791 ? 'X-RAY DIFFRACTION' r_mcangle_other 3.828 4.722 ? 1792 ? 'X-RAY DIFFRACTION' r_scbond_it 2.464 3.502 ? 1572 ? 'X-RAY DIFFRACTION' r_scbond_other 2.463 3.502 ? 1572 ? 'X-RAY DIFFRACTION' r_scangle_other 4.146 5.135 ? 2293 ? 'X-RAY DIFFRACTION' r_long_range_B_refined 7.658 26.876 ? 3602 ? 'X-RAY DIFFRACTION' r_long_range_B_other 7.657 26.880 ? 3603 ? '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 2.792 _refine_ls_shell.d_res_low 2.864 _refine_ls_shell.number_reflns_R_work 717 _refine_ls_shell.R_factor_R_work 0.233 _refine_ls_shell.percent_reflns_obs 94.31 _refine_ls_shell.R_factor_R_free 0.352 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 29 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # _struct.entry_id 4MAV _struct.title 'Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution' _struct.pdbx_descriptor 'Chitinase-3-like protein 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4MAV _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' _struct_keywords.text 'SIGNALING PROTEIN, SPB-40, TIM barrel, 5-hydroxymethyl oxalanetriol' # 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 3 ? D N N 4 ? E N N 5 ? # _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 TRP A 10 ? ARG A 14 ? TRP A 10 ARG A 14 5 ? 5 HELX_P HELX_P2 2 GLU A 15 ? SER A 19 ? GLU A 15 SER A 19 5 ? 5 HELX_P HELX_P3 3 PHE A 21 ? ILE A 25 ? PHE A 21 ILE A 25 5 ? 5 HELX_P HELX_P4 4 ASN A 51 ? THR A 61 ? ASN A 51 THR A 61 1 ? 11 HELX_P HELX_P5 5 THR A 61 ? ASN A 66 ? THR A 61 ASN A 66 1 ? 6 HELX_P HELX_P6 6 GLY A 81 ? SER A 90 ? GLY A 81 SER A 90 1 ? 10 HELX_P HELX_P7 7 LYS A 91 ? GLY A 110 ? LYS A 91 GLY A 110 1 ? 20 HELX_P HELX_P8 8 ASP A 125 ? GLN A 145 ? ASP A 125 GLN A 145 1 ? 21 HELX_P HELX_P9 9 GLY A 160 ? TYR A 168 ? GLY A 160 TYR A 168 1 ? 9 HELX_P HELX_P10 10 ASP A 169 ? LEU A 177 ? ASP A 169 LEU A 177 1 ? 9 HELX_P HELX_P11 11 ASN A 214 ? LEU A 225 ? ASN A 215 LEU A 226 1 ? 12 HELX_P HELX_P12 12 PRO A 228 ? ASN A 230 ? PRO A 229 ASN A 231 5 ? 3 HELX_P HELX_P13 13 ALA A 273 ? LEU A 281 ? ALA A 274 LEU A 282 1 ? 9 HELX_P HELX_P14 14 ASP A 308 ? ARG A 322 ? ASP A 309 ARG A 323 1 ? 15 HELX_P HELX_P15 15 ALA A 331 ? ASP A 335 ? ALA A 332 ASP A 336 5 ? 5 HELX_P HELX_P16 16 PHE A 348 ? ALA A 359 ? PHE A 349 ALA A 360 1 ? 12 # _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 5 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 5 A CYS 30 1_555 ? ? ? ? ? ? ? 2.086 ? disulf2 disulf ? ? A CYS 278 SG ? ? ? 1_555 A CYS 342 SG ? ? A CYS 279 A CYS 343 1_555 ? ? ? ? ? ? ? 2.070 ? covale1 covale ? ? A ASN 39 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 39 A NAG 401 1_555 ? ? ? ? ? ? ? 1.413 ? # 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 SER 36 A . ? SER 36 A PHE 37 A ? PHE 37 A 1 -7.63 2 LEU 119 A . ? LEU 119 A TRP 120 A ? TRP 120 A 1 -0.12 3 TRP 330 A . ? TRP 331 A ALA 331 A ? ALA 332 A 1 -0.01 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 10 ? B ? 3 ? C ? 5 ? # 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 ? parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? parallel A 6 7 ? parallel A 7 8 ? parallel A 8 9 ? parallel A 9 10 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? 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 GLU A 44 ? ASP A 46 ? GLU A 44 ASP A 46 A 2 HIS A 32 ? SER A 41 ? HIS A 32 SER A 41 A 3 LYS A 70 ? GLY A 76 ? LYS A 70 GLY A 76 A 4 GLY A 113 ? ALA A 117 ? GLY A 113 ALA A 117 A 5 LEU A 152 ? THR A 158 ? LEU A 152 THR A 158 A 6 PHE A 179 ? LEU A 183 ? PHE A 179 LEU A 183 A 7 LEU A 232 ? PRO A 237 ? LEU A 233 PRO A 238 A 8 GLY A 326 ? TRP A 330 ? GLY A 327 TRP A 331 A 9 LYS A 2 ? THR A 8 ? LYS A 2 THR A 8 A 10 HIS A 32 ? SER A 41 ? HIS A 32 SER A 41 B 1 ILE A 256 ? PRO A 259 ? ILE A 257 PRO A 260 B 2 GLY A 240 ? LEU A 245 ? GLY A 241 LEU A 246 B 3 ILE A 271 ? LEU A 272 ? ILE A 272 LEU A 273 C 1 ILE A 256 ? PRO A 259 ? ILE A 257 PRO A 260 C 2 GLY A 240 ? LEU A 245 ? GLY A 241 LEU A 246 C 3 GLN A 302 ? ALA A 305 ? GLN A 303 ALA A 306 C 4 VAL A 294 ? LYS A 299 ? VAL A 295 LYS A 300 C 5 THR A 285 ? PHE A 289 ? THR A 286 PHE A 290 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O ASP A 46 ? O ASP A 46 N ASN A 39 ? N ASN A 39 A 2 3 N ALA A 38 ? N ALA A 38 O SER A 74 ? O SER A 74 A 3 4 N VAL A 75 ? N VAL A 75 O ASP A 115 ? O ASP A 115 A 4 5 N LEU A 114 ? N LEU A 114 O SER A 154 ? O SER A 154 A 5 6 N VAL A 157 ? N VAL A 157 O LEU A 183 ? O LEU A 183 A 6 7 N LEU A 182 ? N LEU A 182 O VAL A 233 ? O VAL A 234 A 7 8 N ILE A 236 ? N ILE A 237 O MET A 328 ? O MET A 329 A 8 9 O VAL A 329 ? O VAL A 330 N ILE A 4 ? N ILE A 4 A 9 10 N TYR A 7 ? N TYR A 7 O ILE A 34 ? O ILE A 34 B 1 2 O GLY A 258 ? O GLY A 259 N THR A 244 ? N THR A 245 B 2 3 N GLY A 240 ? N GLY A 241 O LEU A 272 ? O LEU A 273 C 1 2 O GLY A 258 ? O GLY A 259 N THR A 244 ? N THR A 245 C 2 3 N ARG A 241 ? N ARG A 242 O ALA A 305 ? O ALA A 306 C 3 4 O VAL A 304 ? O VAL A 305 N ALA A 297 ? N ALA A 298 C 4 5 O THR A 298 ? O THR A 299 N THR A 285 ? N THR A 286 # 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 GOL A 402' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE RIB A 403' AC3 Software ? ? ? ? 7 'BINDING SITE FOR MONO-SACCHARIDE NAG A 401 BOUND TO ASN A 39' # 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 TRP A 50 ? TRP A 50 . ? 1_555 ? 2 AC1 4 ASN A 51 ? ASN A 51 . ? 1_555 ? 3 AC1 4 THR A 92 ? THR A 92 . ? 4_455 ? 4 AC1 4 HOH E . ? HOH A 601 . ? 1_555 ? 5 AC2 4 TRP A 78 ? TRP A 78 . ? 1_555 ? 6 AC2 4 LEU A 183 ? LEU A 183 . ? 1_555 ? 7 AC2 4 TYR A 185 ? TYR A 185 . ? 1_555 ? 8 AC2 4 TRP A 330 ? TRP A 331 . ? 1_555 ? 9 AC3 7 ASN A 39 ? ASN A 39 . ? 1_555 ? 10 AC3 7 ILE A 40 ? ILE A 40 . ? 1_555 ? 11 AC3 7 SER A 41 ? SER A 41 . ? 1_555 ? 12 AC3 7 TRP A 48 ? TRP A 48 . ? 1_555 ? 13 AC3 7 ARG A 84 ? ARG A 84 . ? 1_555 ? 14 AC3 7 HOH E . ? HOH A 512 . ? 1_555 ? 15 AC3 7 HOH E . ? HOH A 596 . ? 1_555 ? # _database_PDB_matrix.entry_id 4MAV _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 4MAV _atom_sites.fract_transf_matrix[1][1] 0.016445 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014938 _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] 0.009386 _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 ATOM 1 N N . TYR A 1 1 ? 15.429 -15.434 4.523 1.00 31.48 ? 1 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 16.366 -14.827 3.547 1.00 31.59 ? 1 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 15.698 -13.640 2.879 1.00 30.02 ? 1 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 14.569 -13.742 2.398 1.00 32.77 ? 1 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 16.783 -15.839 2.482 1.00 33.11 ? 1 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 17.850 -16.806 2.946 1.00 36.96 ? 1 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 19.177 -16.416 3.050 1.00 38.11 ? 1 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 17.529 -18.115 3.284 1.00 39.36 ? 1 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 20.152 -17.301 3.488 1.00 39.69 ? 1 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 18.495 -19.006 3.730 1.00 39.84 ? 1 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 19.806 -18.600 3.827 1.00 41.41 ? 1 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 20.770 -19.505 4.261 1.00 43.90 ? 1 TYR A OH 1 ATOM 13 N N . LYS A 1 2 ? 16.400 -12.520 2.847 1.00 26.30 ? 2 LYS A N 1 ATOM 14 C CA . LYS A 1 2 ? 15.927 -11.350 2.140 1.00 25.63 ? 2 LYS A CA 1 ATOM 15 C C . LYS A 1 2 ? 16.027 -11.454 0.606 1.00 24.48 ? 2 LYS A C 1 ATOM 16 O O . LYS A 1 2 ? 16.985 -12.040 0.063 1.00 23.74 ? 2 LYS A O 1 ATOM 17 C CB . LYS A 1 2 ? 16.711 -10.137 2.625 1.00 25.97 ? 2 LYS A CB 1 ATOM 18 C CG . LYS A 1 2 ? 16.301 -9.779 4.024 1.00 27.17 ? 2 LYS A CG 1 ATOM 19 C CD . LYS A 1 2 ? 17.239 -8.815 4.723 1.00 28.93 ? 2 LYS A CD 1 ATOM 20 C CE . LYS A 1 2 ? 16.723 -8.650 6.150 1.00 30.56 ? 2 LYS A CE 1 ATOM 21 N NZ . LYS A 1 2 ? 17.816 -8.746 7.135 1.00 32.35 ? 2 LYS A NZ 1 ATOM 22 N N . LEU A 1 3 ? 15.034 -10.879 -0.079 1.00 22.04 ? 3 LEU A N 1 ATOM 23 C CA . LEU A 1 3 ? 15.112 -10.656 -1.521 1.00 20.47 ? 3 LEU A CA 1 ATOM 24 C C . LEU A 1 3 ? 14.885 -9.182 -1.781 1.00 19.73 ? 3 LEU A C 1 ATOM 25 O O . LEU A 1 3 ? 13.754 -8.712 -1.829 1.00 18.17 ? 3 LEU A O 1 ATOM 26 C CB . LEU A 1 3 ? 14.067 -11.490 -2.247 1.00 20.44 ? 3 LEU A CB 1 ATOM 27 C CG . LEU A 1 3 ? 14.448 -12.138 -3.578 1.00 20.69 ? 3 LEU A CG 1 ATOM 28 C CD1 . LEU A 1 3 ? 13.208 -12.463 -4.410 1.00 20.28 ? 3 LEU A CD1 1 ATOM 29 C CD2 . LEU A 1 3 ? 15.373 -11.240 -4.373 1.00 21.72 ? 3 LEU A CD2 1 ATOM 30 N N . ILE A 1 4 ? 15.975 -8.440 -1.902 1.00 20.16 ? 4 ILE A N 1 ATOM 31 C CA . ILE A 1 4 ? 15.884 -6.986 -2.021 1.00 20.35 ? 4 ILE A CA 1 ATOM 32 C C . ILE A 1 4 ? 15.870 -6.617 -3.492 1.00 21.38 ? 4 ILE A C 1 ATOM 33 O O . ILE A 1 4 ? 16.843 -6.884 -4.188 1.00 21.30 ? 4 ILE A O 1 ATOM 34 C CB . ILE A 1 4 ? 17.085 -6.289 -1.401 1.00 19.65 ? 4 ILE A CB 1 ATOM 35 C CG1 . ILE A 1 4 ? 17.474 -6.899 -0.052 1.00 20.21 ? 4 ILE A CG1 1 ATOM 36 C CG2 . ILE A 1 4 ? 16.791 -4.828 -1.236 1.00 19.65 ? 4 ILE A CG2 1 ATOM 37 C CD1 . ILE A 1 4 ? 16.530 -6.582 1.065 1.00 21.20 ? 4 ILE A CD1 1 ATOM 38 N N . CYS A 1 5 ? 14.787 -6.008 -3.967 1.00 22.06 ? 5 CYS A N 1 ATOM 39 C CA . CYS A 1 5 ? 14.664 -5.697 -5.378 1.00 23.61 ? 5 CYS A CA 1 ATOM 40 C C . CYS A 1 5 ? 14.515 -4.226 -5.627 1.00 23.70 ? 5 CYS A C 1 ATOM 41 O O . CYS A 1 5 ? 13.641 -3.598 -5.052 1.00 23.95 ? 5 CYS A O 1 ATOM 42 C CB . CYS A 1 5 ? 13.432 -6.342 -5.970 1.00 25.04 ? 5 CYS A CB 1 ATOM 43 S SG . CYS A 1 5 ? 13.284 -8.107 -5.692 1.00 28.81 ? 5 CYS A SG 1 ATOM 44 N N . TYR A 1 6 ? 15.315 -3.714 -6.564 1.00 24.10 ? 6 TYR A N 1 ATOM 45 C CA . TYR A 1 6 ? 15.320 -2.291 -6.976 1.00 23.45 ? 6 TYR A CA 1 ATOM 46 C C . TYR A 1 6 ? 14.364 -1.973 -8.142 1.00 24.36 ? 6 TYR A C 1 ATOM 47 O O . TYR A 1 6 ? 14.366 -2.668 -9.167 1.00 25.09 ? 6 TYR A O 1 ATOM 48 C CB . TYR A 1 6 ? 16.744 -1.896 -7.390 1.00 22.79 ? 6 TYR A CB 1 ATOM 49 C CG . TYR A 1 6 ? 17.659 -1.480 -6.244 1.00 22.89 ? 6 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 6 ? 18.376 -2.421 -5.509 1.00 22.45 ? 6 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 6 ? 17.812 -0.127 -5.911 1.00 22.40 ? 6 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 6 ? 19.212 -2.024 -4.480 1.00 22.90 ? 6 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 6 ? 18.652 0.284 -4.892 1.00 22.64 ? 6 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 6 ? 19.355 -0.660 -4.169 1.00 23.14 ? 6 TYR A CZ 1 ATOM 55 O OH . TYR A 1 6 ? 20.175 -0.244 -3.122 1.00 22.47 ? 6 TYR A OH 1 ATOM 56 N N . TYR A 1 7 ? 13.546 -0.932 -7.992 1.00 24.66 ? 7 TYR A N 1 ATOM 57 C CA . TYR A 1 7 ? 12.773 -0.400 -9.119 1.00 26.14 ? 7 TYR A CA 1 ATOM 58 C C . TYR A 1 7 ? 13.322 0.976 -9.507 1.00 25.69 ? 7 TYR A C 1 ATOM 59 O O . TYR A 1 7 ? 13.571 1.830 -8.632 1.00 25.86 ? 7 TYR A O 1 ATOM 60 C CB . TYR A 1 7 ? 11.247 -0.308 -8.794 1.00 28.38 ? 7 TYR A CB 1 ATOM 61 C CG . TYR A 1 7 ? 10.450 0.560 -9.786 1.00 28.27 ? 7 TYR A CG 1 ATOM 62 C CD1 . TYR A 1 7 ? 10.000 0.050 -10.996 1.00 29.20 ? 7 TYR A CD1 1 ATOM 63 C CD2 . TYR A 1 7 ? 10.207 1.884 -9.521 1.00 28.94 ? 7 TYR A CD2 1 ATOM 64 C CE1 . TYR A 1 7 ? 9.322 0.838 -11.910 1.00 29.42 ? 7 TYR A CE1 1 ATOM 65 C CE2 . TYR A 1 7 ? 9.531 2.682 -10.422 1.00 31.08 ? 7 TYR A CE2 1 ATOM 66 C CZ . TYR A 1 7 ? 9.090 2.158 -11.619 1.00 30.92 ? 7 TYR A CZ 1 ATOM 67 O OH . TYR A 1 7 ? 8.423 2.989 -12.507 1.00 33.14 ? 7 TYR A OH 1 ATOM 68 N N . THR A 1 8 ? 13.480 1.196 -10.811 1.00 24.82 ? 8 THR A N 1 ATOM 69 C CA . THR A 1 8 ? 14.005 2.449 -11.312 1.00 25.39 ? 8 THR A CA 1 ATOM 70 C C . THR A 1 8 ? 12.903 3.327 -11.786 1.00 25.27 ? 8 THR A C 1 ATOM 71 O O . THR A 1 8 ? 12.049 2.890 -12.522 1.00 25.28 ? 8 THR A O 1 ATOM 72 C CB . THR A 1 8 ? 14.978 2.234 -12.475 1.00 26.64 ? 8 THR A CB 1 ATOM 73 O OG1 . THR A 1 8 ? 14.330 1.518 -13.540 1.00 26.85 ? 8 THR A OG1 1 ATOM 74 C CG2 . THR A 1 8 ? 16.187 1.467 -11.983 1.00 27.09 ? 8 THR A CG2 1 ATOM 75 N N . SER A 1 9 ? 12.930 4.578 -11.351 1.00 28.23 ? 9 SER A N 1 ATOM 76 C CA . SER A 1 9 ? 11.930 5.592 -11.759 1.00 30.47 ? 9 SER A CA 1 ATOM 77 C C . SER A 1 9 ? 11.734 5.673 -13.259 1.00 30.81 ? 9 SER A C 1 ATOM 78 O O . SER A 1 9 ? 10.631 5.577 -13.779 1.00 33.29 ? 9 SER A O 1 ATOM 79 C CB . SER A 1 9 ? 12.376 6.984 -11.297 1.00 29.47 ? 9 SER A CB 1 ATOM 80 O OG . SER A 1 9 ? 11.981 7.191 -9.966 1.00 30.48 ? 9 SER A OG 1 ATOM 81 N N . TRP A 1 10 ? 12.860 5.827 -13.921 1.00 30.87 ? 10 TRP A N 1 ATOM 82 C CA . TRP A 1 10 ? 12.940 6.214 -15.300 1.00 31.42 ? 10 TRP A CA 1 ATOM 83 C C . TRP A 1 10 ? 12.645 5.067 -16.249 1.00 31.53 ? 10 TRP A C 1 ATOM 84 O O . TRP A 1 10 ? 12.619 5.254 -17.471 1.00 32.02 ? 10 TRP A O 1 ATOM 85 C CB . TRP A 1 10 ? 14.341 6.782 -15.559 1.00 32.00 ? 10 TRP A CB 1 ATOM 86 C CG . TRP A 1 10 ? 15.414 5.772 -15.447 1.00 31.31 ? 10 TRP A CG 1 ATOM 87 C CD1 . TRP A 1 10 ? 15.888 4.981 -16.447 1.00 32.83 ? 10 TRP A CD1 1 ATOM 88 C CD2 . TRP A 1 10 ? 16.136 5.418 -14.269 1.00 32.29 ? 10 TRP A CD2 1 ATOM 89 N NE1 . TRP A 1 10 ? 16.882 4.156 -15.970 1.00 33.86 ? 10 TRP A NE1 1 ATOM 90 C CE2 . TRP A 1 10 ? 17.055 4.399 -14.634 1.00 34.46 ? 10 TRP A CE2 1 ATOM 91 C CE3 . TRP A 1 10 ? 16.106 5.864 -12.941 1.00 32.96 ? 10 TRP A CE3 1 ATOM 92 C CZ2 . TRP A 1 10 ? 17.943 3.813 -13.718 1.00 35.66 ? 10 TRP A CZ2 1 ATOM 93 C CZ3 . TRP A 1 10 ? 16.978 5.288 -12.024 1.00 35.97 ? 10 TRP A CZ3 1 ATOM 94 C CH2 . TRP A 1 10 ? 17.892 4.263 -12.419 1.00 37.40 ? 10 TRP A CH2 1 ATOM 95 N N . SER A 1 11 ? 12.414 3.883 -15.701 1.00 31.91 ? 11 SER A N 1 ATOM 96 C CA . SER A 1 11 ? 11.859 2.804 -16.511 1.00 34.96 ? 11 SER A CA 1 ATOM 97 C C . SER A 1 11 ? 10.439 3.125 -17.018 1.00 35.23 ? 11 SER A C 1 ATOM 98 O O . SER A 1 11 ? 9.902 2.421 -17.865 1.00 37.10 ? 11 SER A O 1 ATOM 99 C CB . SER A 1 11 ? 11.864 1.476 -15.739 1.00 34.56 ? 11 SER A CB 1 ATOM 100 O OG . SER A 1 11 ? 11.235 1.622 -14.485 1.00 35.46 ? 11 SER A OG 1 ATOM 101 N N . GLN A 1 12 ? 9.852 4.222 -16.604 1.00 36.78 ? 12 GLN A N 1 ATOM 102 C CA . GLN A 1 12 ? 8.507 4.499 -17.022 1.00 37.65 ? 12 GLN A CA 1 ATOM 103 C C . GLN A 1 12 ? 8.417 5.051 -18.425 1.00 37.24 ? 12 GLN A C 1 ATOM 104 O O . GLN A 1 12 ? 7.390 5.004 -19.041 1.00 34.46 ? 12 GLN A O 1 ATOM 105 C CB . GLN A 1 12 ? 7.840 5.406 -16.031 1.00 37.83 ? 12 GLN A CB 1 ATOM 106 C CG . GLN A 1 12 ? 8.523 6.719 -15.875 1.00 39.71 ? 12 GLN A CG 1 ATOM 107 C CD . GLN A 1 12 ? 7.620 7.772 -15.309 1.00 41.61 ? 12 GLN A CD 1 ATOM 108 O OE1 . GLN A 1 12 ? 6.632 8.147 -15.909 1.00 41.32 ? 12 GLN A OE1 1 ATOM 109 N NE2 . GLN A 1 12 ? 7.974 8.271 -14.165 1.00 42.24 ? 12 GLN A NE2 1 ATOM 110 N N . TYR A 1 13 ? 9.533 5.528 -18.928 1.00 39.33 ? 13 TYR A N 1 ATOM 111 C CA . TYR A 1 13 ? 9.611 6.256 -20.202 1.00 39.21 ? 13 TYR A CA 1 ATOM 112 C C . TYR A 1 13 ? 9.946 5.416 -21.397 1.00 40.08 ? 13 TYR A C 1 ATOM 113 O O . TYR A 1 13 ? 9.867 5.884 -22.522 1.00 44.20 ? 13 TYR A O 1 ATOM 114 C CB . TYR A 1 13 ? 10.679 7.354 -20.108 1.00 39.89 ? 13 TYR A CB 1 ATOM 115 C CG . TYR A 1 13 ? 10.375 8.360 -19.029 1.00 40.01 ? 13 TYR A CG 1 ATOM 116 C CD1 . TYR A 1 13 ? 9.148 9.017 -19.002 1.00 38.26 ? 13 TYR A CD1 1 ATOM 117 C CD2 . TYR A 1 13 ? 11.298 8.639 -18.021 1.00 40.59 ? 13 TYR A CD2 1 ATOM 118 C CE1 . TYR A 1 13 ? 8.850 9.926 -18.012 1.00 39.72 ? 13 TYR A CE1 1 ATOM 119 C CE2 . TYR A 1 13 ? 11.005 9.559 -17.022 1.00 40.34 ? 13 TYR A CE2 1 ATOM 120 C CZ . TYR A 1 13 ? 9.777 10.195 -17.023 1.00 40.29 ? 13 TYR A CZ 1 ATOM 121 O OH . TYR A 1 13 ? 9.452 11.098 -16.035 1.00 41.98 ? 13 TYR A OH 1 ATOM 122 N N . ARG A 1 14 ? 10.349 4.184 -21.175 1.00 43.42 ? 14 ARG A N 1 ATOM 123 C CA . ARG A 1 14 ? 10.733 3.329 -22.286 1.00 44.96 ? 14 ARG A CA 1 ATOM 124 C C . ARG A 1 14 ? 9.517 3.007 -23.132 1.00 50.41 ? 14 ARG A C 1 ATOM 125 O O . ARG A 1 14 ? 8.408 2.825 -22.610 1.00 52.26 ? 14 ARG A O 1 ATOM 126 C CB . ARG A 1 14 ? 11.401 2.060 -21.780 1.00 42.88 ? 14 ARG A CB 1 ATOM 127 C CG . ARG A 1 14 ? 12.752 2.320 -21.136 1.00 41.09 ? 14 ARG A CG 1 ATOM 128 C CD . ARG A 1 14 ? 13.143 1.184 -20.227 1.00 42.33 ? 14 ARG A CD 1 ATOM 129 N NE . ARG A 1 14 ? 14.260 1.575 -19.380 1.00 44.37 ? 14 ARG A NE 1 ATOM 130 C CZ . ARG A 1 14 ? 14.594 0.998 -18.225 1.00 42.29 ? 14 ARG A CZ 1 ATOM 131 N NH1 . ARG A 1 14 ? 13.902 -0.027 -17.717 1.00 42.05 ? 14 ARG A NH1 1 ATOM 132 N NH2 . ARG A 1 14 ? 15.636 1.470 -17.567 1.00 41.99 ? 14 ARG A NH2 1 ATOM 133 N N . GLU A 1 15 ? 9.707 2.911 -24.432 1.00 57.13 ? 15 GLU A N 1 ATOM 134 C CA . GLU A 1 15 ? 8.587 2.741 -25.313 1.00 60.21 ? 15 GLU A CA 1 ATOM 135 C C . GLU A 1 15 ? 7.985 1.368 -25.281 1.00 56.87 ? 15 GLU A C 1 ATOM 136 O O . GLU A 1 15 ? 8.615 0.380 -24.989 1.00 54.60 ? 15 GLU A O 1 ATOM 137 C CB . GLU A 1 15 ? 8.929 3.151 -26.737 1.00 67.25 ? 15 GLU A CB 1 ATOM 138 C CG . GLU A 1 15 ? 9.006 4.660 -26.967 1.00 73.26 ? 15 GLU A CG 1 ATOM 139 C CD . GLU A 1 15 ? 7.663 5.366 -26.933 1.00 72.17 ? 15 GLU A CD 1 ATOM 140 O OE1 . GLU A 1 15 ? 7.616 6.550 -26.589 1.00 72.92 ? 15 GLU A OE1 1 ATOM 141 O OE2 . GLU A 1 15 ? 6.650 4.744 -27.259 1.00 68.46 ? 15 GLU A OE2 1 ATOM 142 N N . GLY A 1 16 ? 6.709 1.348 -25.556 1.00 54.35 ? 16 GLY A N 1 ATOM 143 C CA . GLY A 1 16 ? 5.968 0.114 -25.727 1.00 54.97 ? 16 GLY A CA 1 ATOM 144 C C . GLY A 1 16 ? 6.010 -0.778 -24.510 1.00 54.14 ? 16 GLY A C 1 ATOM 145 O O . GLY A 1 16 ? 5.657 -0.354 -23.407 1.00 54.08 ? 16 GLY A O 1 ATOM 146 N N . ASP A 1 17 ? 6.463 -2.012 -24.722 1.00 55.54 ? 17 ASP A N 1 ATOM 147 C CA . ASP A 1 17 ? 6.524 -3.021 -23.660 1.00 56.92 ? 17 ASP A CA 1 ATOM 148 C C . ASP A 1 17 ? 7.695 -2.786 -22.692 1.00 53.55 ? 17 ASP A C 1 ATOM 149 O O . ASP A 1 17 ? 7.767 -3.427 -21.650 1.00 49.31 ? 17 ASP A O 1 ATOM 150 C CB . ASP A 1 17 ? 6.589 -4.452 -24.253 1.00 59.23 ? 17 ASP A CB 1 ATOM 151 C CG . ASP A 1 17 ? 5.192 -5.020 -24.671 1.00 62.78 ? 17 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 17 ? 4.127 -4.385 -24.418 1.00 63.25 ? 17 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 17 ? 5.176 -6.131 -25.261 1.00 59.70 ? 17 ASP A OD2 1 ATOM 154 N N . GLY A 1 18 ? 8.602 -1.875 -23.028 1.00 52.23 ? 18 GLY A N 1 ATOM 155 C CA . GLY A 1 18 ? 9.615 -1.435 -22.070 1.00 54.41 ? 18 GLY A CA 1 ATOM 156 C C . GLY A 1 18 ? 9.096 -0.625 -20.866 1.00 58.14 ? 18 GLY A C 1 ATOM 157 O O . GLY A 1 18 ? 9.718 -0.623 -19.791 1.00 51.94 ? 18 GLY A O 1 ATOM 158 N N . SER A 1 19 ? 7.972 0.077 -21.039 1.00 60.48 ? 19 SER A N 1 ATOM 159 C CA . SER A 1 19 ? 7.394 0.883 -19.965 1.00 58.64 ? 19 SER A CA 1 ATOM 160 C C . SER A 1 19 ? 7.031 0.013 -18.745 1.00 58.84 ? 19 SER A C 1 ATOM 161 O O . SER A 1 19 ? 6.159 -0.863 -18.846 1.00 60.82 ? 19 SER A O 1 ATOM 162 C CB . SER A 1 19 ? 6.153 1.626 -20.476 1.00 57.77 ? 19 SER A CB 1 ATOM 163 O OG . SER A 1 19 ? 5.726 2.589 -19.529 1.00 55.88 ? 19 SER A OG 1 ATOM 164 N N . CYS A 1 20 ? 7.717 0.245 -17.616 1.00 56.71 ? 20 CYS A N 1 ATOM 165 C CA . CYS A 1 20 ? 7.415 -0.421 -16.330 1.00 55.37 ? 20 CYS A CA 1 ATOM 166 C C . CYS A 1 20 ? 6.986 0.616 -15.307 1.00 52.61 ? 20 CYS A C 1 ATOM 167 O O . CYS A 1 20 ? 7.670 1.620 -15.108 1.00 51.36 ? 20 CYS A O 1 ATOM 168 C CB . CYS A 1 20 ? 8.630 -1.186 -15.774 1.00 56.88 ? 20 CYS A CB 1 ATOM 169 S SG . CYS A 1 20 ? 8.363 -2.146 -14.235 1.00 59.46 ? 20 CYS A SG 1 ATOM 170 N N . PHE A 1 21 ? 5.841 0.363 -14.678 1.00 49.94 ? 21 PHE A N 1 ATOM 171 C CA . PHE A 1 21 ? 5.371 1.150 -13.541 1.00 46.89 ? 21 PHE A CA 1 ATOM 172 C C . PHE A 1 21 ? 5.308 0.208 -12.345 1.00 41.64 ? 21 PHE A C 1 ATOM 173 O O . PHE A 1 21 ? 5.342 -1.004 -12.535 1.00 41.77 ? 21 PHE A O 1 ATOM 174 C CB . PHE A 1 21 ? 4.003 1.759 -13.853 1.00 48.25 ? 21 PHE A CB 1 ATOM 175 C CG . PHE A 1 21 ? 4.066 2.889 -14.840 1.00 52.58 ? 21 PHE A CG 1 ATOM 176 C CD1 . PHE A 1 21 ? 4.136 2.635 -16.210 1.00 56.68 ? 21 PHE A CD1 1 ATOM 177 C CD2 . PHE A 1 21 ? 4.077 4.210 -14.407 1.00 53.31 ? 21 PHE A CD2 1 ATOM 178 C CE1 . PHE A 1 21 ? 4.196 3.682 -17.121 1.00 56.70 ? 21 PHE A CE1 1 ATOM 179 C CE2 . PHE A 1 21 ? 4.144 5.258 -15.312 1.00 52.23 ? 21 PHE A CE2 1 ATOM 180 C CZ . PHE A 1 21 ? 4.199 4.995 -16.669 1.00 55.53 ? 21 PHE A CZ 1 ATOM 181 N N . PRO A 1 22 ? 5.216 0.750 -11.116 1.00 35.87 ? 22 PRO A N 1 ATOM 182 C CA . PRO A 1 22 ? 5.136 -0.092 -9.923 1.00 35.40 ? 22 PRO A CA 1 ATOM 183 C C . PRO A 1 22 ? 3.982 -1.107 -9.933 1.00 34.11 ? 22 PRO A C 1 ATOM 184 O O . PRO A 1 22 ? 4.034 -2.078 -9.211 1.00 33.79 ? 22 PRO A O 1 ATOM 185 C CB . PRO A 1 22 ? 4.936 0.912 -8.780 1.00 36.44 ? 22 PRO A CB 1 ATOM 186 C CG . PRO A 1 22 ? 5.331 2.227 -9.306 1.00 35.88 ? 22 PRO A CG 1 ATOM 187 C CD . PRO A 1 22 ? 5.145 2.181 -10.792 1.00 35.85 ? 22 PRO A CD 1 ATOM 188 N N . ASP A 1 23 ? 3.023 -0.872 -10.784 1.00 35.22 ? 23 ASP A N 1 ATOM 189 C CA . ASP A 1 23 ? 1.933 -1.748 -11.099 1.00 37.69 ? 23 ASP A CA 1 ATOM 190 C C . ASP A 1 23 ? 2.309 -3.187 -11.316 1.00 36.95 ? 23 ASP A C 1 ATOM 191 O O . ASP A 1 23 ? 1.682 -4.084 -10.804 1.00 36.94 ? 23 ASP A O 1 ATOM 192 C CB . ASP A 1 23 ? 1.382 -1.249 -12.427 1.00 41.71 ? 23 ASP A CB 1 ATOM 193 C CG . ASP A 1 23 ? 0.028 -0.713 -12.326 1.00 42.22 ? 23 ASP A CG 1 ATOM 194 O OD1 . ASP A 1 23 ? -0.395 -0.387 -11.234 1.00 43.52 ? 23 ASP A OD1 1 ATOM 195 O OD2 . ASP A 1 23 ? -0.619 -0.599 -13.359 1.00 45.68 ? 23 ASP A OD2 1 ATOM 196 N N . ALA A 1 24 ? 3.319 -3.377 -12.136 1.00 35.98 ? 24 ALA A N 1 ATOM 197 C CA . ALA A 1 24 ? 3.715 -4.671 -12.696 1.00 35.96 ? 24 ALA A CA 1 ATOM 198 C C . ALA A 1 24 ? 4.414 -5.578 -11.699 1.00 34.08 ? 24 ALA A C 1 ATOM 199 O O . ALA A 1 24 ? 4.503 -6.794 -11.923 1.00 36.47 ? 24 ALA A O 1 ATOM 200 C CB . ALA A 1 24 ? 4.622 -4.467 -13.921 1.00 36.47 ? 24 ALA A CB 1 ATOM 201 N N . ILE A 1 25 ? 4.965 -5.014 -10.650 1.00 30.31 ? 25 ILE A N 1 ATOM 202 C CA . ILE A 1 25 ? 5.631 -5.785 -9.632 1.00 30.16 ? 25 ILE A CA 1 ATOM 203 C C . ILE A 1 25 ? 4.701 -6.719 -8.864 1.00 29.05 ? 25 ILE A C 1 ATOM 204 O O . ILE A 1 25 ? 3.777 -6.268 -8.261 1.00 30.79 ? 25 ILE A O 1 ATOM 205 C CB . ILE A 1 25 ? 6.318 -4.827 -8.676 1.00 29.21 ? 25 ILE A CB 1 ATOM 206 C CG1 . ILE A 1 25 ? 7.125 -3.829 -9.476 1.00 28.78 ? 25 ILE A CG1 1 ATOM 207 C CG2 . ILE A 1 25 ? 7.222 -5.557 -7.734 1.00 28.76 ? 25 ILE A CG2 1 ATOM 208 C CD1 . ILE A 1 25 ? 7.704 -2.708 -8.673 1.00 29.28 ? 25 ILE A CD1 1 ATOM 209 N N . ASP A 1 26 ? 4.956 -8.019 -8.893 1.00 28.32 ? 26 ASP A N 1 ATOM 210 C CA . ASP A 1 26 ? 4.178 -9.000 -8.133 1.00 29.66 ? 26 ASP A CA 1 ATOM 211 C C . ASP A 1 26 ? 4.581 -8.814 -6.667 1.00 29.20 ? 26 ASP A C 1 ATOM 212 O O . ASP A 1 26 ? 5.760 -8.743 -6.349 1.00 31.80 ? 26 ASP A O 1 ATOM 213 C CB . ASP A 1 26 ? 4.386 -10.424 -8.698 1.00 31.92 ? 26 ASP A CB 1 ATOM 214 C CG . ASP A 1 26 ? 4.291 -11.561 -7.644 1.00 34.28 ? 26 ASP A CG 1 ATOM 215 O OD1 . ASP A 1 26 ? 3.360 -11.646 -6.792 1.00 33.46 ? 26 ASP A OD1 1 ATOM 216 O OD2 . ASP A 1 26 ? 5.175 -12.442 -7.738 1.00 37.71 ? 26 ASP A OD2 1 ATOM 217 N N . PRO A 1 27 ? 3.598 -8.662 -5.770 1.00 29.12 ? 27 PRO A N 1 ATOM 218 C CA . PRO A 1 27 ? 3.938 -8.267 -4.419 1.00 28.32 ? 27 PRO A CA 1 ATOM 219 C C . PRO A 1 27 ? 4.374 -9.390 -3.498 1.00 27.10 ? 27 PRO A C 1 ATOM 220 O O . PRO A 1 27 ? 4.658 -9.110 -2.340 1.00 26.18 ? 27 PRO A O 1 ATOM 221 C CB . PRO A 1 27 ? 2.628 -7.656 -3.889 1.00 30.19 ? 27 PRO A CB 1 ATOM 222 C CG . PRO A 1 27 ? 1.609 -7.800 -4.974 1.00 30.04 ? 27 PRO A CG 1 ATOM 223 C CD . PRO A 1 27 ? 2.143 -8.811 -5.926 1.00 29.75 ? 27 PRO A CD 1 ATOM 224 N N . PHE A 1 28 ? 4.400 -10.637 -3.982 1.00 26.44 ? 28 PHE A N 1 ATOM 225 C CA . PHE A 1 28 ? 4.982 -11.756 -3.223 1.00 25.40 ? 28 PHE A CA 1 ATOM 226 C C . PHE A 1 28 ? 6.315 -12.208 -3.786 1.00 25.00 ? 28 PHE A C 1 ATOM 227 O O . PHE A 1 28 ? 6.937 -13.122 -3.267 1.00 25.11 ? 28 PHE A O 1 ATOM 228 C CB . PHE A 1 28 ? 4.004 -12.912 -3.140 1.00 24.81 ? 28 PHE A CB 1 ATOM 229 C CG . PHE A 1 28 ? 2.719 -12.537 -2.468 1.00 24.71 ? 28 PHE A CG 1 ATOM 230 C CD1 . PHE A 1 28 ? 2.586 -12.686 -1.093 1.00 23.55 ? 28 PHE A CD1 1 ATOM 231 C CD2 . PHE A 1 28 ? 1.654 -11.983 -3.209 1.00 24.44 ? 28 PHE A CD2 1 ATOM 232 C CE1 . PHE A 1 28 ? 1.417 -12.328 -0.458 1.00 23.73 ? 28 PHE A CE1 1 ATOM 233 C CE2 . PHE A 1 28 ? 0.474 -11.624 -2.579 1.00 24.41 ? 28 PHE A CE2 1 ATOM 234 C CZ . PHE A 1 28 ? 0.357 -11.798 -1.195 1.00 24.45 ? 28 PHE A CZ 1 ATOM 235 N N . LEU A 1 29 ? 6.804 -11.491 -4.756 1.00 25.25 ? 29 LEU A N 1 ATOM 236 C CA . LEU A 1 29 ? 8.083 -11.774 -5.330 1.00 26.31 ? 29 LEU A CA 1 ATOM 237 C C . LEU A 1 29 ? 9.230 -11.391 -4.438 1.00 26.66 ? 29 LEU A C 1 ATOM 238 O O . LEU A 1 29 ? 10.075 -12.176 -4.172 1.00 29.10 ? 29 LEU A O 1 ATOM 239 C CB . LEU A 1 29 ? 8.200 -11.068 -6.661 1.00 26.12 ? 29 LEU A CB 1 ATOM 240 C CG . LEU A 1 29 ? 9.450 -11.303 -7.454 1.00 26.15 ? 29 LEU A CG 1 ATOM 241 C CD1 . LEU A 1 29 ? 9.293 -12.480 -8.346 1.00 26.05 ? 29 LEU A CD1 1 ATOM 242 C CD2 . LEU A 1 29 ? 9.762 -10.069 -8.220 1.00 26.41 ? 29 LEU A CD2 1 ATOM 243 N N . CYS A 1 30 ? 9.270 -10.167 -3.979 1.00 24.86 ? 30 CYS A N 1 ATOM 244 C CA . CYS A 1 30 ? 10.383 -9.698 -3.168 1.00 24.23 ? 30 CYS A CA 1 ATOM 245 C C . CYS A 1 30 ? 10.019 -9.571 -1.687 1.00 23.90 ? 30 CYS A C 1 ATOM 246 O O . CYS A 1 30 ? 8.830 -9.679 -1.299 1.00 24.19 ? 30 CYS A O 1 ATOM 247 C CB . CYS A 1 30 ? 10.893 -8.354 -3.697 1.00 25.25 ? 30 CYS A CB 1 ATOM 248 S SG . CYS A 1 30 ? 11.227 -8.374 -5.474 1.00 28.03 ? 30 CYS A SG 1 ATOM 249 N N . THR A 1 31 ? 11.046 -9.358 -0.854 1.00 21.71 ? 31 THR A N 1 ATOM 250 C CA . THR A 1 31 ? 10.814 -9.010 0.556 1.00 20.85 ? 31 THR A CA 1 ATOM 251 C C . THR A 1 31 ? 10.862 -7.510 0.728 1.00 20.51 ? 31 THR A C 1 ATOM 252 O O . THR A 1 31 ? 10.145 -6.959 1.549 1.00 20.52 ? 31 THR A O 1 ATOM 253 C CB . THR A 1 31 ? 11.795 -9.692 1.534 1.00 20.27 ? 31 THR A CB 1 ATOM 254 O OG1 . THR A 1 31 ? 13.143 -9.404 1.167 1.00 20.13 ? 31 THR A OG1 1 ATOM 255 C CG2 . THR A 1 31 ? 11.611 -11.204 1.496 1.00 20.87 ? 31 THR A CG2 1 ATOM 256 N N . HIS A 1 32 ? 11.697 -6.855 -0.064 1.00 20.30 ? 32 HIS A N 1 ATOM 257 C CA . HIS A 1 32 ? 11.909 -5.431 0.042 1.00 20.07 ? 32 HIS A CA 1 ATOM 258 C C . HIS A 1 32 ? 11.966 -4.906 -1.375 1.00 19.92 ? 32 HIS A C 1 ATOM 259 O O . HIS A 1 32 ? 12.722 -5.398 -2.201 1.00 20.86 ? 32 HIS A O 1 ATOM 260 C CB . HIS A 1 32 ? 13.226 -5.150 0.770 1.00 20.51 ? 32 HIS A CB 1 ATOM 261 C CG . HIS A 1 32 ? 13.287 -5.709 2.167 1.00 22.02 ? 32 HIS A CG 1 ATOM 262 N ND1 . HIS A 1 32 ? 13.440 -7.054 2.435 1.00 21.70 ? 32 HIS A ND1 1 ATOM 263 C CD2 . HIS A 1 32 ? 13.218 -5.097 3.378 1.00 22.68 ? 32 HIS A CD2 1 ATOM 264 C CE1 . HIS A 1 32 ? 13.460 -7.249 3.741 1.00 21.30 ? 32 HIS A CE1 1 ATOM 265 N NE2 . HIS A 1 32 ? 13.319 -6.079 4.336 1.00 22.19 ? 32 HIS A NE2 1 ATOM 266 N N . VAL A 1 33 ? 11.152 -3.922 -1.683 1.00 19.64 ? 33 VAL A N 1 ATOM 267 C CA . VAL A 1 33 ? 11.270 -3.254 -2.962 1.00 19.21 ? 33 VAL A CA 1 ATOM 268 C C . VAL A 1 33 ? 11.855 -1.890 -2.709 1.00 19.49 ? 33 VAL A C 1 ATOM 269 O O . VAL A 1 33 ? 11.360 -1.182 -1.836 1.00 19.89 ? 33 VAL A O 1 ATOM 270 C CB . VAL A 1 33 ? 9.918 -3.109 -3.617 1.00 19.30 ? 33 VAL A CB 1 ATOM 271 C CG1 . VAL A 1 33 ? 10.029 -2.318 -4.895 1.00 19.64 ? 33 VAL A CG1 1 ATOM 272 C CG2 . VAL A 1 33 ? 9.379 -4.480 -3.940 1.00 20.13 ? 33 VAL A CG2 1 ATOM 273 N N . ILE A 1 34 ? 12.912 -1.514 -3.440 1.00 19.26 ? 34 ILE A N 1 ATOM 274 C CA . ILE A 1 34 ? 13.561 -0.229 -3.199 1.00 19.51 ? 34 ILE A CA 1 ATOM 275 C C . ILE A 1 34 ? 13.352 0.648 -4.406 1.00 19.35 ? 34 ILE A C 1 ATOM 276 O O . ILE A 1 34 ? 13.506 0.211 -5.515 1.00 19.75 ? 34 ILE A O 1 ATOM 277 C CB . ILE A 1 34 ? 15.054 -0.392 -2.812 1.00 20.83 ? 34 ILE A CB 1 ATOM 278 C CG1 . ILE A 1 34 ? 15.199 -1.481 -1.726 1.00 20.88 ? 34 ILE A CG1 1 ATOM 279 C CG2 . ILE A 1 34 ? 15.645 0.935 -2.320 1.00 20.74 ? 34 ILE A CG2 1 ATOM 280 C CD1 . ILE A 1 34 ? 16.569 -1.583 -1.080 1.00 20.63 ? 34 ILE A CD1 1 ATOM 281 N N . TYR A 1 35 ? 12.929 1.877 -4.167 1.00 20.55 ? 35 TYR A N 1 ATOM 282 C CA . TYR A 1 35 ? 12.592 2.828 -5.218 1.00 21.57 ? 35 TYR A CA 1 ATOM 283 C C . TYR A 1 35 ? 13.759 3.796 -5.446 1.00 23.60 ? 35 TYR A C 1 ATOM 284 O O . TYR A 1 35 ? 14.141 4.600 -4.543 1.00 22.93 ? 35 TYR A O 1 ATOM 285 C CB . TYR A 1 35 ? 11.338 3.617 -4.803 1.00 22.55 ? 35 TYR A CB 1 ATOM 286 C CG . TYR A 1 35 ? 10.748 4.507 -5.884 1.00 23.53 ? 35 TYR A CG 1 ATOM 287 C CD1 . TYR A 1 35 ? 9.599 4.141 -6.556 1.00 22.66 ? 35 TYR A CD1 1 ATOM 288 C CD2 . TYR A 1 35 ? 11.361 5.709 -6.243 1.00 24.02 ? 35 TYR A CD2 1 ATOM 289 C CE1 . TYR A 1 35 ? 9.079 4.936 -7.545 1.00 23.29 ? 35 TYR A CE1 1 ATOM 290 C CE2 . TYR A 1 35 ? 10.844 6.500 -7.243 1.00 23.65 ? 35 TYR A CE2 1 ATOM 291 C CZ . TYR A 1 35 ? 9.696 6.111 -7.887 1.00 23.30 ? 35 TYR A CZ 1 ATOM 292 O OH . TYR A 1 35 ? 9.152 6.898 -8.883 1.00 23.41 ? 35 TYR A OH 1 ATOM 293 N N . SER A 1 36 ? 14.314 3.726 -6.657 1.00 24.63 ? 36 SER A N 1 ATOM 294 C CA . SER A 1 36 ? 15.419 4.598 -7.065 1.00 24.43 ? 36 SER A CA 1 ATOM 295 C C . SER A 1 36 ? 15.012 5.610 -8.088 1.00 24.06 ? 36 SER A C 1 ATOM 296 O O . SER A 1 36 ? 14.279 5.230 -9.019 1.00 24.12 ? 36 SER A O 1 ATOM 297 C CB . SER A 1 36 ? 16.473 3.750 -7.703 1.00 25.54 ? 36 SER A CB 1 ATOM 298 O OG . SER A 1 36 ? 17.049 3.026 -6.661 1.00 29.77 ? 36 SER A OG 1 ATOM 299 N N . PHE A 1 37 ? 15.438 6.855 -7.959 1.00 23.25 ? 37 PHE A N 1 ATOM 300 C CA . PHE A 1 37 ? 16.158 7.396 -6.812 1.00 23.00 ? 37 PHE A CA 1 ATOM 301 C C . PHE A 1 37 ? 15.497 8.666 -6.318 1.00 23.26 ? 37 PHE A C 1 ATOM 302 O O . PHE A 1 37 ? 14.803 9.306 -7.040 1.00 24.27 ? 37 PHE A O 1 ATOM 303 C CB . PHE A 1 37 ? 17.564 7.811 -7.183 1.00 23.15 ? 37 PHE A CB 1 ATOM 304 C CG . PHE A 1 37 ? 18.495 6.696 -7.425 1.00 25.02 ? 37 PHE A CG 1 ATOM 305 C CD1 . PHE A 1 37 ? 18.977 5.942 -6.392 1.00 25.66 ? 37 PHE A CD1 1 ATOM 306 C CD2 . PHE A 1 37 ? 18.912 6.414 -8.695 1.00 25.46 ? 37 PHE A CD2 1 ATOM 307 C CE1 . PHE A 1 37 ? 19.833 4.910 -6.630 1.00 25.91 ? 37 PHE A CE1 1 ATOM 308 C CE2 . PHE A 1 37 ? 19.773 5.385 -8.932 1.00 26.10 ? 37 PHE A CE2 1 ATOM 309 C CZ . PHE A 1 37 ? 20.240 4.633 -7.902 1.00 25.94 ? 37 PHE A CZ 1 ATOM 310 N N . ALA A 1 38 ? 15.858 9.109 -5.132 1.00 21.88 ? 38 ALA A N 1 ATOM 311 C CA . ALA A 1 38 ? 15.439 10.393 -4.615 1.00 22.07 ? 38 ALA A CA 1 ATOM 312 C C . ALA A 1 38 ? 16.477 11.492 -4.786 1.00 24.13 ? 38 ALA A C 1 ATOM 313 O O . ALA A 1 38 ? 17.634 11.226 -4.734 1.00 25.68 ? 38 ALA A O 1 ATOM 314 C CB . ALA A 1 38 ? 15.099 10.253 -3.168 1.00 21.55 ? 38 ALA A CB 1 ATOM 315 N N . ASN A 1 39 ? 16.023 12.733 -4.940 1.00 30.00 ? 39 ASN A N 1 ATOM 316 C CA . ASN A 1 39 ? 16.927 13.876 -5.028 1.00 30.00 ? 39 ASN A CA 1 ATOM 317 C C . ASN A 1 39 ? 16.999 14.665 -3.719 1.00 30.00 ? 39 ASN A C 1 ATOM 318 O O . ASN A 1 39 ? 16.054 14.662 -2.931 1.00 30.00 ? 39 ASN A O 1 ATOM 319 C CB . ASN A 1 39 ? 16.513 14.799 -6.177 1.00 20.00 ? 39 ASN A CB 1 ATOM 320 C CG . ASN A 1 39 ? 17.526 15.895 -6.437 1.00 20.00 ? 39 ASN A CG 1 ATOM 321 O OD1 . ASN A 1 39 ? 18.729 15.699 -6.263 1.00 20.00 ? 39 ASN A OD1 1 ATOM 322 N ND2 . ASN A 1 39 ? 17.044 17.059 -6.858 1.00 20.00 ? 39 ASN A ND2 1 ATOM 323 N N . ILE A 1 40 ? 18.125 15.338 -3.496 1.00 28.31 ? 40 ILE A N 1 ATOM 324 C CA . ILE A 1 40 ? 18.323 16.125 -2.304 1.00 27.38 ? 40 ILE A CA 1 ATOM 325 C C . ILE A 1 40 ? 18.375 17.542 -2.748 1.00 27.78 ? 40 ILE A C 1 ATOM 326 O O . ILE A 1 40 ? 18.940 17.813 -3.715 1.00 28.02 ? 40 ILE A O 1 ATOM 327 C CB . ILE A 1 40 ? 19.626 15.792 -1.636 1.00 27.59 ? 40 ILE A CB 1 ATOM 328 C CG1 . ILE A 1 40 ? 19.659 14.328 -1.299 1.00 27.69 ? 40 ILE A CG1 1 ATOM 329 C CG2 . ILE A 1 40 ? 19.776 16.604 -0.387 1.00 28.76 ? 40 ILE A CG2 1 ATOM 330 C CD1 . ILE A 1 40 ? 20.744 13.921 -0.349 1.00 27.88 ? 40 ILE A CD1 1 ATOM 331 N N . SER A 1 41 ? 17.756 18.444 -2.034 1.00 29.45 ? 41 SER A N 1 ATOM 332 C CA . SER A 1 41 ? 17.520 19.792 -2.510 1.00 29.98 ? 41 SER A CA 1 ATOM 333 C C . SER A 1 41 ? 17.203 20.659 -1.307 1.00 29.73 ? 41 SER A C 1 ATOM 334 O O . SER A 1 41 ? 16.455 20.223 -0.434 1.00 31.54 ? 41 SER A O 1 ATOM 335 C CB . SER A 1 41 ? 16.343 19.756 -3.471 1.00 30.16 ? 41 SER A CB 1 ATOM 336 O OG . SER A 1 41 ? 16.307 20.945 -4.220 1.00 32.70 ? 41 SER A OG 1 ATOM 337 N N . ASN A 1 42 ? 17.774 21.854 -1.220 1.00 28.16 ? 42 ASN A N 1 ATOM 338 C CA . ASN A 1 42 ? 17.777 22.574 0.079 1.00 29.26 ? 42 ASN A CA 1 ATOM 339 C C . ASN A 1 42 ? 18.159 21.649 1.246 1.00 27.83 ? 42 ASN A C 1 ATOM 340 O O . ASN A 1 42 ? 17.605 21.767 2.333 1.00 26.14 ? 42 ASN A O 1 ATOM 341 C CB . ASN A 1 42 ? 16.403 23.182 0.381 1.00 29.97 ? 42 ASN A CB 1 ATOM 342 C CG . ASN A 1 42 ? 15.776 23.797 -0.842 1.00 31.81 ? 42 ASN A CG 1 ATOM 343 O OD1 . ASN A 1 42 ? 14.651 23.470 -1.203 1.00 34.16 ? 42 ASN A OD1 1 ATOM 344 N ND2 . ASN A 1 42 ? 16.521 24.659 -1.519 1.00 32.20 ? 42 ASN A ND2 1 ATOM 345 N N . ASN A 1 43 ? 19.102 20.734 0.992 1.00 28.07 ? 43 ASN A N 1 ATOM 346 C CA . ASN A 1 43 ? 19.615 19.769 1.980 1.00 27.94 ? 43 ASN A CA 1 ATOM 347 C C . ASN A 1 43 ? 18.578 18.840 2.609 1.00 27.37 ? 43 ASN A C 1 ATOM 348 O O . ASN A 1 43 ? 18.696 18.422 3.767 1.00 26.17 ? 43 ASN A O 1 ATOM 349 C CB . ASN A 1 43 ? 20.404 20.508 3.063 1.00 28.67 ? 43 ASN A CB 1 ATOM 350 C CG . ASN A 1 43 ? 21.566 21.310 2.489 1.00 27.95 ? 43 ASN A CG 1 ATOM 351 O OD1 . ASN A 1 43 ? 22.023 21.043 1.360 1.00 27.14 ? 43 ASN A OD1 1 ATOM 352 N ND2 . ASN A 1 43 ? 22.061 22.288 3.267 1.00 25.82 ? 43 ASN A ND2 1 ATOM 353 N N . GLU A 1 44 ? 17.565 18.507 1.833 1.00 27.56 ? 44 GLU A N 1 ATOM 354 C CA . GLU A 1 44 ? 16.473 17.692 2.340 1.00 28.55 ? 44 GLU A CA 1 ATOM 355 C C . GLU A 1 44 ? 16.092 16.686 1.286 1.00 27.65 ? 44 GLU A C 1 ATOM 356 O O . GLU A 1 44 ? 16.121 16.976 0.099 1.00 29.25 ? 44 GLU A O 1 ATOM 357 C CB . GLU A 1 44 ? 15.256 18.552 2.617 1.00 29.80 ? 44 GLU A CB 1 ATOM 358 C CG . GLU A 1 44 ? 15.501 19.723 3.529 1.00 31.88 ? 44 GLU A CG 1 ATOM 359 C CD . GLU A 1 44 ? 14.296 20.035 4.390 1.00 35.39 ? 44 GLU A CD 1 ATOM 360 O OE1 . GLU A 1 44 ? 13.142 19.919 3.907 1.00 37.42 ? 44 GLU A OE1 1 ATOM 361 O OE2 . GLU A 1 44 ? 14.513 20.386 5.569 1.00 39.22 ? 44 GLU A OE2 1 ATOM 362 N N . ILE A 1 45 ? 15.689 15.530 1.691 1.00 26.53 ? 45 ILE A N 1 ATOM 363 C CA . ILE A 1 45 ? 15.310 14.559 0.730 1.00 28.07 ? 45 ILE A CA 1 ATOM 364 C C . ILE A 1 45 ? 14.159 15.031 -0.128 1.00 27.86 ? 45 ILE A C 1 ATOM 365 O O . ILE A 1 45 ? 13.358 15.775 0.288 1.00 30.31 ? 45 ILE A O 1 ATOM 366 C CB . ILE A 1 45 ? 15.000 13.266 1.449 1.00 29.83 ? 45 ILE A CB 1 ATOM 367 C CG1 . ILE A 1 45 ? 14.669 12.194 0.449 1.00 29.74 ? 45 ILE A CG1 1 ATOM 368 C CG2 . ILE A 1 45 ? 13.958 13.493 2.518 1.00 30.47 ? 45 ILE A CG2 1 ATOM 369 C CD1 . ILE A 1 45 ? 15.137 10.853 0.886 1.00 30.82 ? 45 ILE A CD1 1 ATOM 370 N N . ASP A 1 46 ? 14.104 14.633 -1.370 1.00 27.24 ? 46 ASP A N 1 ATOM 371 C CA . ASP A 1 46 ? 13.113 15.194 -2.274 1.00 26.79 ? 46 ASP A CA 1 ATOM 372 C C . ASP A 1 46 ? 12.779 14.237 -3.423 1.00 26.57 ? 46 ASP A C 1 ATOM 373 O O . ASP A 1 46 ? 13.483 13.260 -3.650 1.00 25.72 ? 46 ASP A O 1 ATOM 374 C CB . ASP A 1 46 ? 13.677 16.494 -2.835 1.00 28.84 ? 46 ASP A CB 1 ATOM 375 C CG . ASP A 1 46 ? 12.602 17.435 -3.392 1.00 30.41 ? 46 ASP A CG 1 ATOM 376 O OD1 . ASP A 1 46 ? 11.441 17.397 -2.941 1.00 31.15 ? 46 ASP A OD1 1 ATOM 377 O OD2 . ASP A 1 46 ? 12.942 18.246 -4.279 1.00 32.59 ? 46 ASP A OD2 1 ATOM 378 N N . THR A 1 47 ? 11.709 14.529 -4.157 1.00 26.51 ? 47 THR A N 1 ATOM 379 C CA . THR A 1 47 ? 11.339 13.750 -5.331 1.00 26.25 ? 47 THR A CA 1 ATOM 380 C C . THR A 1 47 ? 12.356 14.048 -6.416 1.00 27.11 ? 47 THR A C 1 ATOM 381 O O . THR A 1 47 ? 13.084 15.022 -6.329 1.00 29.59 ? 47 THR A O 1 ATOM 382 C CB . THR A 1 47 ? 9.949 14.142 -5.895 1.00 26.15 ? 47 THR A CB 1 ATOM 383 O OG1 . THR A 1 47 ? 10.035 15.398 -6.582 1.00 26.19 ? 47 THR A OG1 1 ATOM 384 C CG2 . THR A 1 47 ? 8.905 14.259 -4.803 1.00 26.59 ? 47 THR A CG2 1 ATOM 385 N N . TRP A 1 48 ? 12.395 13.205 -7.431 1.00 28.12 ? 48 TRP A N 1 ATOM 386 C CA . TRP A 1 48 ? 13.194 13.398 -8.614 1.00 29.70 ? 48 TRP A CA 1 ATOM 387 C C . TRP A 1 48 ? 12.373 13.618 -9.870 1.00 30.83 ? 48 TRP A C 1 ATOM 388 O O . TRP A 1 48 ? 12.550 14.579 -10.553 1.00 32.33 ? 48 TRP A O 1 ATOM 389 C CB . TRP A 1 48 ? 14.085 12.190 -8.833 1.00 30.94 ? 48 TRP A CB 1 ATOM 390 C CG . TRP A 1 48 ? 15.054 12.380 -9.896 1.00 31.92 ? 48 TRP A CG 1 ATOM 391 C CD1 . TRP A 1 48 ? 14.824 12.323 -11.203 1.00 32.76 ? 48 TRP A CD1 1 ATOM 392 C CD2 . TRP A 1 48 ? 16.414 12.681 -9.744 1.00 33.99 ? 48 TRP A CD2 1 ATOM 393 N NE1 . TRP A 1 48 ? 15.944 12.567 -11.893 1.00 33.54 ? 48 TRP A NE1 1 ATOM 394 C CE2 . TRP A 1 48 ? 16.950 12.790 -11.013 1.00 33.93 ? 48 TRP A CE2 1 ATOM 395 C CE3 . TRP A 1 48 ? 17.246 12.835 -8.651 1.00 35.95 ? 48 TRP A CE3 1 ATOM 396 C CZ2 . TRP A 1 48 ? 18.260 13.044 -11.228 1.00 36.23 ? 48 TRP A CZ2 1 ATOM 397 C CZ3 . TRP A 1 48 ? 18.532 13.089 -8.859 1.00 37.03 ? 48 TRP A CZ3 1 ATOM 398 C CH2 . TRP A 1 48 ? 19.040 13.198 -10.137 1.00 38.79 ? 48 TRP A CH2 1 ATOM 399 N N . GLU A 1 49 ? 11.448 12.728 -10.147 1.00 30.53 ? 49 GLU A N 1 ATOM 400 C CA . GLU A 1 49 ? 10.651 12.826 -11.325 1.00 31.28 ? 49 GLU A CA 1 ATOM 401 C C . GLU A 1 49 ? 9.543 13.727 -11.007 1.00 31.36 ? 49 GLU A C 1 ATOM 402 O O . GLU A 1 49 ? 9.292 14.011 -9.867 1.00 30.47 ? 49 GLU A O 1 ATOM 403 C CB . GLU A 1 49 ? 10.060 11.496 -11.699 1.00 33.39 ? 49 GLU A CB 1 ATOM 404 C CG . GLU A 1 49 ? 11.006 10.397 -12.113 1.00 34.35 ? 49 GLU A CG 1 ATOM 405 C CD . GLU A 1 49 ? 11.814 10.707 -13.332 1.00 36.97 ? 49 GLU A CD 1 ATOM 406 O OE1 . GLU A 1 49 ? 11.430 11.565 -14.111 1.00 39.51 ? 49 GLU A OE1 1 ATOM 407 O OE2 . GLU A 1 49 ? 12.860 10.105 -13.512 1.00 39.68 ? 49 GLU A OE2 1 ATOM 408 N N . TRP A 1 50 ? 8.822 14.117 -12.036 1.00 31.38 ? 50 TRP A N 1 ATOM 409 C CA . TRP A 1 50 ? 7.718 15.028 -11.870 1.00 32.52 ? 50 TRP A CA 1 ATOM 410 C C . TRP A 1 50 ? 6.538 14.411 -11.184 1.00 31.21 ? 50 TRP A C 1 ATOM 411 O O . TRP A 1 50 ? 5.779 15.083 -10.580 1.00 31.62 ? 50 TRP A O 1 ATOM 412 C CB . TRP A 1 50 ? 7.317 15.638 -13.199 1.00 33.98 ? 50 TRP A CB 1 ATOM 413 C CG . TRP A 1 50 ? 6.798 14.684 -14.101 1.00 37.61 ? 50 TRP A CG 1 ATOM 414 C CD1 . TRP A 1 50 ? 7.496 13.886 -14.904 1.00 41.90 ? 50 TRP A CD1 1 ATOM 415 C CD2 . TRP A 1 50 ? 5.444 14.368 -14.301 1.00 39.24 ? 50 TRP A CD2 1 ATOM 416 N NE1 . TRP A 1 50 ? 6.676 13.072 -15.599 1.00 40.71 ? 50 TRP A NE1 1 ATOM 417 C CE2 . TRP A 1 50 ? 5.397 13.353 -15.238 1.00 40.24 ? 50 TRP A CE2 1 ATOM 418 C CE3 . TRP A 1 50 ? 4.255 14.837 -13.766 1.00 40.14 ? 50 TRP A CE3 1 ATOM 419 C CZ2 . TRP A 1 50 ? 4.220 12.811 -15.663 1.00 38.88 ? 50 TRP A CZ2 1 ATOM 420 C CZ3 . TRP A 1 50 ? 3.107 14.287 -14.174 1.00 39.90 ? 50 TRP A CZ3 1 ATOM 421 C CH2 . TRP A 1 50 ? 3.086 13.295 -15.122 1.00 38.72 ? 50 TRP A CH2 1 ATOM 422 N N . ASN A 1 51 ? 6.418 13.101 -11.243 1.00 30.76 ? 51 ASN A N 1 ATOM 423 C CA . ASN A 1 51 ? 5.298 12.381 -10.677 1.00 29.69 ? 51 ASN A CA 1 ATOM 424 C C . ASN A 1 51 ? 5.641 11.290 -9.683 1.00 28.09 ? 51 ASN A C 1 ATOM 425 O O . ASN A 1 51 ? 4.902 10.376 -9.493 1.00 26.50 ? 51 ASN A O 1 ATOM 426 C CB . ASN A 1 51 ? 4.518 11.790 -11.811 1.00 28.99 ? 51 ASN A CB 1 ATOM 427 C CG . ASN A 1 51 ? 5.365 10.929 -12.674 1.00 30.30 ? 51 ASN A CG 1 ATOM 428 O OD1 . ASN A 1 51 ? 6.561 10.963 -12.597 1.00 31.24 ? 51 ASN A OD1 1 ATOM 429 N ND2 . ASN A 1 51 ? 4.751 10.146 -13.484 1.00 30.40 ? 51 ASN A ND2 1 ATOM 430 N N . ASP A 1 52 ? 6.777 11.399 -9.041 1.00 28.01 ? 52 ASP A N 1 ATOM 431 C CA . ASP A 1 52 ? 7.168 10.429 -8.024 1.00 27.87 ? 52 ASP A CA 1 ATOM 432 C C . ASP A 1 52 ? 6.138 10.268 -6.935 1.00 26.61 ? 52 ASP A C 1 ATOM 433 O O . ASP A 1 52 ? 5.997 9.181 -6.408 1.00 26.99 ? 52 ASP A O 1 ATOM 434 C CB . ASP A 1 52 ? 8.479 10.838 -7.347 1.00 29.37 ? 52 ASP A CB 1 ATOM 435 C CG . ASP A 1 52 ? 9.687 10.498 -8.157 1.00 31.01 ? 52 ASP A CG 1 ATOM 436 O OD1 . ASP A 1 52 ? 9.614 9.567 -8.979 1.00 34.97 ? 52 ASP A OD1 1 ATOM 437 O OD2 . ASP A 1 52 ? 10.728 11.148 -7.960 1.00 32.89 ? 52 ASP A OD2 1 ATOM 438 N N . VAL A 1 53 ? 5.455 11.308 -6.559 1.00 26.46 ? 53 VAL A N 1 ATOM 439 C CA . VAL A 1 53 ? 4.433 11.172 -5.552 1.00 29.22 ? 53 VAL A CA 1 ATOM 440 C C . VAL A 1 53 ? 3.345 10.197 -5.918 1.00 30.39 ? 53 VAL A C 1 ATOM 441 O O . VAL A 1 53 ? 2.748 9.603 -5.059 1.00 31.45 ? 53 VAL A O 1 ATOM 442 C CB . VAL A 1 53 ? 3.747 12.479 -5.277 1.00 30.43 ? 53 VAL A CB 1 ATOM 443 C CG1 . VAL A 1 53 ? 4.490 13.222 -4.233 1.00 31.06 ? 53 VAL A CG1 1 ATOM 444 C CG2 . VAL A 1 53 ? 3.590 13.290 -6.543 1.00 33.44 ? 53 VAL A CG2 1 ATOM 445 N N . THR A 1 54 ? 3.061 10.083 -7.200 1.00 28.40 ? 54 THR A N 1 ATOM 446 C CA . THR A 1 54 ? 2.134 9.101 -7.733 1.00 28.80 ? 54 THR A CA 1 ATOM 447 C C . THR A 1 54 ? 2.768 7.715 -7.743 1.00 30.18 ? 54 THR A C 1 ATOM 448 O O . THR A 1 54 ? 2.162 6.752 -7.294 1.00 34.63 ? 54 THR A O 1 ATOM 449 C CB . THR A 1 54 ? 1.728 9.448 -9.187 1.00 28.75 ? 54 THR A CB 1 ATOM 450 O OG1 . THR A 1 54 ? 1.051 10.710 -9.204 1.00 29.68 ? 54 THR A OG1 1 ATOM 451 C CG2 . THR A 1 54 ? 0.834 8.379 -9.800 1.00 27.33 ? 54 THR A CG2 1 ATOM 452 N N . LEU A 1 55 ? 3.967 7.591 -8.299 1.00 29.34 ? 55 LEU A N 1 ATOM 453 C CA . LEU A 1 55 ? 4.617 6.291 -8.396 1.00 27.82 ? 55 LEU A CA 1 ATOM 454 C C . LEU A 1 55 ? 4.934 5.726 -7.004 1.00 27.70 ? 55 LEU A C 1 ATOM 455 O O . LEU A 1 55 ? 4.839 4.520 -6.771 1.00 27.85 ? 55 LEU A O 1 ATOM 456 C CB . LEU A 1 55 ? 5.871 6.405 -9.245 1.00 27.32 ? 55 LEU A CB 1 ATOM 457 C CG . LEU A 1 55 ? 5.656 6.800 -10.704 1.00 27.81 ? 55 LEU A CG 1 ATOM 458 C CD1 . LEU A 1 55 ? 6.819 6.312 -11.547 1.00 29.30 ? 55 LEU A CD1 1 ATOM 459 C CD2 . LEU A 1 55 ? 4.410 6.184 -11.281 1.00 28.86 ? 55 LEU A CD2 1 ATOM 460 N N . TYR A 1 56 ? 5.220 6.616 -6.074 1.00 26.89 ? 56 TYR A N 1 ATOM 461 C CA . TYR A 1 56 ? 5.430 6.290 -4.681 1.00 26.19 ? 56 TYR A CA 1 ATOM 462 C C . TYR A 1 56 ? 4.202 5.642 -4.149 1.00 25.49 ? 56 TYR A C 1 ATOM 463 O O . TYR A 1 56 ? 4.266 4.655 -3.503 1.00 25.66 ? 56 TYR A O 1 ATOM 464 C CB . TYR A 1 56 ? 5.640 7.550 -3.865 1.00 25.44 ? 56 TYR A CB 1 ATOM 465 C CG . TYR A 1 56 ? 6.947 8.244 -3.964 1.00 24.78 ? 56 TYR A CG 1 ATOM 466 C CD1 . TYR A 1 56 ? 8.026 7.674 -4.570 1.00 24.36 ? 56 TYR A CD1 1 ATOM 467 C CD2 . TYR A 1 56 ? 7.107 9.482 -3.414 1.00 26.95 ? 56 TYR A CD2 1 ATOM 468 C CE1 . TYR A 1 56 ? 9.214 8.327 -4.628 1.00 25.88 ? 56 TYR A CE1 1 ATOM 469 C CE2 . TYR A 1 56 ? 8.303 10.147 -3.472 1.00 26.29 ? 56 TYR A CE2 1 ATOM 470 C CZ . TYR A 1 56 ? 9.345 9.559 -4.086 1.00 26.76 ? 56 TYR A CZ 1 ATOM 471 O OH . TYR A 1 56 ? 10.529 10.217 -4.161 1.00 29.62 ? 56 TYR A OH 1 ATOM 472 N N . ASP A 1 57 ? 3.071 6.227 -4.464 1.00 24.52 ? 57 ASP A N 1 ATOM 473 C CA . ASP A 1 57 ? 1.759 5.769 -4.057 1.00 25.86 ? 57 ASP A CA 1 ATOM 474 C C . ASP A 1 57 ? 1.371 4.444 -4.620 1.00 24.31 ? 57 ASP A C 1 ATOM 475 O O . ASP A 1 57 ? 0.801 3.640 -3.969 1.00 22.44 ? 57 ASP A O 1 ATOM 476 C CB . ASP A 1 57 ? 0.729 6.802 -4.486 1.00 27.98 ? 57 ASP A CB 1 ATOM 477 C CG . ASP A 1 57 ? -0.606 6.608 -3.851 1.00 29.89 ? 57 ASP A CG 1 ATOM 478 O OD1 . ASP A 1 57 ? -0.712 6.592 -2.640 1.00 30.69 ? 57 ASP A OD1 1 ATOM 479 O OD2 . ASP A 1 57 ? -1.583 6.503 -4.576 1.00 34.24 ? 57 ASP A OD2 1 ATOM 480 N N . THR A 1 58 ? 1.683 4.254 -5.872 1.00 24.67 ? 58 THR A N 1 ATOM 481 C CA . THR A 1 58 ? 1.357 3.043 -6.629 1.00 25.16 ? 58 THR A CA 1 ATOM 482 C C . THR A 1 58 ? 2.174 1.863 -6.144 1.00 26.62 ? 58 THR A C 1 ATOM 483 O O . THR A 1 58 ? 1.715 0.709 -6.181 1.00 28.54 ? 58 THR A O 1 ATOM 484 C CB . THR A 1 58 ? 1.664 3.245 -8.118 1.00 26.12 ? 58 THR A CB 1 ATOM 485 O OG1 . THR A 1 58 ? 0.966 4.403 -8.603 1.00 26.42 ? 58 THR A OG1 1 ATOM 486 C CG2 . THR A 1 58 ? 1.281 2.028 -8.955 1.00 26.13 ? 58 THR A CG2 1 ATOM 487 N N . LEU A 1 59 ? 3.366 2.120 -5.661 1.00 26.79 ? 59 LEU A N 1 ATOM 488 C CA . LEU A 1 59 ? 4.211 1.111 -5.101 1.00 25.87 ? 59 LEU A CA 1 ATOM 489 C C . LEU A 1 59 ? 3.782 0.772 -3.713 1.00 26.05 ? 59 LEU A C 1 ATOM 490 O O . LEU A 1 59 ? 3.625 -0.347 -3.362 1.00 25.26 ? 59 LEU A O 1 ATOM 491 C CB . LEU A 1 59 ? 5.613 1.652 -5.055 1.00 25.60 ? 59 LEU A CB 1 ATOM 492 C CG . LEU A 1 59 ? 6.611 0.736 -4.402 1.00 25.95 ? 59 LEU A CG 1 ATOM 493 C CD1 . LEU A 1 59 ? 6.787 -0.504 -5.237 1.00 26.70 ? 59 LEU A CD1 1 ATOM 494 C CD2 . LEU A 1 59 ? 7.906 1.431 -4.156 1.00 26.20 ? 59 LEU A CD2 1 ATOM 495 N N . ASN A 1 60 ? 3.600 1.765 -2.899 1.00 28.17 ? 60 ASN A N 1 ATOM 496 C CA . ASN A 1 60 ? 3.125 1.533 -1.529 1.00 30.30 ? 60 ASN A CA 1 ATOM 497 C C . ASN A 1 60 ? 1.670 1.005 -1.396 1.00 31.46 ? 60 ASN A C 1 ATOM 498 O O . ASN A 1 60 ? 1.318 0.425 -0.375 1.00 30.60 ? 60 ASN A O 1 ATOM 499 C CB . ASN A 1 60 ? 3.419 2.777 -0.669 1.00 30.43 ? 60 ASN A CB 1 ATOM 500 C CG . ASN A 1 60 ? 4.947 3.016 -0.507 1.00 31.03 ? 60 ASN A CG 1 ATOM 501 O OD1 . ASN A 1 60 ? 5.496 4.107 -0.817 1.00 29.98 ? 60 ASN A OD1 1 ATOM 502 N ND2 . ASN A 1 60 ? 5.647 1.969 -0.048 1.00 28.85 ? 60 ASN A ND2 1 ATOM 503 N N . THR A 1 61 ? 0.852 1.103 -2.441 1.00 32.32 ? 61 THR A N 1 ATOM 504 C CA . THR A 1 61 ? -0.408 0.349 -2.423 1.00 34.62 ? 61 THR A CA 1 ATOM 505 C C . THR A 1 61 ? -0.237 -1.166 -2.653 1.00 33.19 ? 61 THR A C 1 ATOM 506 O O . THR A 1 61 ? -1.170 -1.939 -2.434 1.00 32.95 ? 61 THR A O 1 ATOM 507 C CB . THR A 1 61 ? -1.428 0.867 -3.453 1.00 36.38 ? 61 THR A CB 1 ATOM 508 O OG1 . THR A 1 61 ? -0.845 0.826 -4.769 1.00 36.90 ? 61 THR A OG1 1 ATOM 509 C CG2 . THR A 1 61 ? -1.907 2.286 -3.061 1.00 36.24 ? 61 THR A CG2 1 ATOM 510 N N . LEU A 1 62 ? 0.929 -1.605 -3.105 1.00 30.99 ? 62 LEU A N 1 ATOM 511 C CA . LEU A 1 62 ? 1.155 -3.031 -3.206 1.00 29.82 ? 62 LEU A CA 1 ATOM 512 C C . LEU A 1 62 ? 1.082 -3.682 -1.826 1.00 29.36 ? 62 LEU A C 1 ATOM 513 O O . LEU A 1 62 ? 0.649 -4.827 -1.708 1.00 26.88 ? 62 LEU A O 1 ATOM 514 C CB . LEU A 1 62 ? 2.500 -3.339 -3.840 1.00 30.92 ? 62 LEU A CB 1 ATOM 515 C CG . LEU A 1 62 ? 2.766 -2.977 -5.303 1.00 32.65 ? 62 LEU A CG 1 ATOM 516 C CD1 . LEU A 1 62 ? 4.133 -3.544 -5.637 1.00 33.41 ? 62 LEU A CD1 1 ATOM 517 C CD2 . LEU A 1 62 ? 1.737 -3.484 -6.322 1.00 33.11 ? 62 LEU A CD2 1 ATOM 518 N N . LYS A 1 63 ? 1.510 -2.948 -0.792 1.00 29.91 ? 63 LYS A N 1 ATOM 519 C CA . LYS A 1 63 ? 1.424 -3.429 0.589 1.00 30.38 ? 63 LYS A CA 1 ATOM 520 C C . LYS A 1 63 ? 0.007 -3.719 1.047 1.00 31.77 ? 63 LYS A C 1 ATOM 521 O O . LYS A 1 63 ? -0.157 -4.393 2.047 1.00 33.34 ? 63 LYS A O 1 ATOM 522 C CB . LYS A 1 63 ? 2.102 -2.463 1.565 1.00 30.90 ? 63 LYS A CB 1 ATOM 523 C CG . LYS A 1 63 ? 3.604 -2.658 1.598 1.00 31.71 ? 63 LYS A CG 1 ATOM 524 C CD . LYS A 1 63 ? 4.363 -1.381 1.800 1.00 31.87 ? 63 LYS A CD 1 ATOM 525 C CE . LYS A 1 63 ? 4.566 -1.102 3.257 1.00 33.32 ? 63 LYS A CE 1 ATOM 526 N NZ . LYS A 1 63 ? 5.145 0.261 3.382 1.00 34.03 ? 63 LYS A NZ 1 ATOM 527 N N . ASN A 1 64 ? -1.000 -3.218 0.325 1.00 33.85 ? 64 ASN A N 1 ATOM 528 C CA . ASN A 1 64 ? -2.378 -3.698 0.467 1.00 36.54 ? 64 ASN A CA 1 ATOM 529 C C . ASN A 1 64 ? -2.540 -5.188 0.206 1.00 36.33 ? 64 ASN A C 1 ATOM 530 O O . ASN A 1 64 ? -3.245 -5.868 0.951 1.00 38.09 ? 64 ASN A O 1 ATOM 531 C CB . ASN A 1 64 ? -3.309 -2.992 -0.503 1.00 38.87 ? 64 ASN A CB 1 ATOM 532 C CG . ASN A 1 64 ? -3.615 -1.578 -0.087 1.00 41.62 ? 64 ASN A CG 1 ATOM 533 O OD1 . ASN A 1 64 ? -3.255 -1.141 1.005 1.00 42.66 ? 64 ASN A OD1 1 ATOM 534 N ND2 . ASN A 1 64 ? -4.316 -0.857 -0.950 1.00 45.02 ? 64 ASN A ND2 1 ATOM 535 N N . ARG A 1 65 ? -1.903 -5.663 -0.863 1.00 33.68 ? 65 ARG A N 1 ATOM 536 C CA . ARG A 1 65 ? -1.881 -7.081 -1.213 1.00 32.77 ? 65 ARG A CA 1 ATOM 537 C C . ARG A 1 65 ? -0.936 -7.931 -0.369 1.00 31.23 ? 65 ARG A C 1 ATOM 538 O O . ARG A 1 65 ? -1.227 -9.080 -0.055 1.00 31.55 ? 65 ARG A O 1 ATOM 539 C CB . ARG A 1 65 ? -1.500 -7.232 -2.667 1.00 34.36 ? 65 ARG A CB 1 ATOM 540 C CG . ARG A 1 65 ? -2.477 -6.542 -3.591 1.00 35.58 ? 65 ARG A CG 1 ATOM 541 C CD . ARG A 1 65 ? -2.733 -7.406 -4.796 1.00 38.90 ? 65 ARG A CD 1 ATOM 542 N NE . ARG A 1 65 ? -1.958 -6.933 -5.941 1.00 44.41 ? 65 ARG A NE 1 ATOM 543 C CZ . ARG A 1 65 ? -1.507 -7.702 -6.937 1.00 47.08 ? 65 ARG A CZ 1 ATOM 544 N NH1 . ARG A 1 65 ? -1.705 -9.033 -6.945 1.00 46.10 ? 65 ARG A NH1 1 ATOM 545 N NH2 . ARG A 1 65 ? -0.826 -7.132 -7.927 1.00 47.32 ? 65 ARG A NH2 1 ATOM 546 N N . ASN A 1 66 ? 0.209 -7.377 -0.015 1.00 30.48 ? 66 ASN A N 1 ATOM 547 C CA . ASN A 1 66 ? 1.144 -8.070 0.855 1.00 28.08 ? 66 ASN A CA 1 ATOM 548 C C . ASN A 1 66 ? 1.420 -7.040 1.914 1.00 25.57 ? 66 ASN A C 1 ATOM 549 O O . ASN A 1 66 ? 2.234 -6.159 1.721 1.00 23.76 ? 66 ASN A O 1 ATOM 550 C CB . ASN A 1 66 ? 2.378 -8.534 0.082 1.00 28.05 ? 66 ASN A CB 1 ATOM 551 C CG . ASN A 1 66 ? 3.368 -9.271 0.960 1.00 28.46 ? 66 ASN A CG 1 ATOM 552 O OD1 . ASN A 1 66 ? 3.084 -9.564 2.122 1.00 29.28 ? 66 ASN A OD1 1 ATOM 553 N ND2 . ASN A 1 66 ? 4.547 -9.554 0.418 1.00 28.41 ? 66 ASN A ND2 1 ATOM 554 N N . PRO A 1 67 ? 0.722 -7.145 3.040 1.00 26.35 ? 67 PRO A N 1 ATOM 555 C CA . PRO A 1 67 ? 0.966 -6.418 4.292 1.00 26.33 ? 67 PRO A CA 1 ATOM 556 C C . PRO A 1 67 ? 2.382 -6.595 4.856 1.00 25.58 ? 67 PRO A C 1 ATOM 557 O O . PRO A 1 67 ? 2.831 -5.757 5.619 1.00 25.92 ? 67 PRO A O 1 ATOM 558 C CB . PRO A 1 67 ? -0.029 -7.052 5.260 1.00 26.05 ? 67 PRO A CB 1 ATOM 559 C CG . PRO A 1 67 ? -1.106 -7.594 4.435 1.00 25.89 ? 67 PRO A CG 1 ATOM 560 C CD . PRO A 1 67 ? -0.544 -7.889 3.078 1.00 27.09 ? 67 PRO A CD 1 ATOM 561 N N . ASN A 1 68 ? 3.061 -7.678 4.494 1.00 24.85 ? 68 ASN A N 1 ATOM 562 C CA . ASN A 1 68 ? 4.429 -7.908 4.930 1.00 25.74 ? 68 ASN A CA 1 ATOM 563 C C . ASN A 1 68 ? 5.537 -7.301 4.045 1.00 24.46 ? 68 ASN A C 1 ATOM 564 O O . ASN A 1 68 ? 6.695 -7.206 4.457 1.00 22.62 ? 68 ASN A O 1 ATOM 565 C CB . ASN A 1 68 ? 4.645 -9.402 5.089 1.00 28.34 ? 68 ASN A CB 1 ATOM 566 C CG . ASN A 1 68 ? 4.204 -9.906 6.443 1.00 31.73 ? 68 ASN A CG 1 ATOM 567 O OD1 . ASN A 1 68 ? 3.677 -9.150 7.279 1.00 34.62 ? 68 ASN A OD1 1 ATOM 568 N ND2 . ASN A 1 68 ? 4.443 -11.187 6.683 1.00 33.58 ? 68 ASN A ND2 1 ATOM 569 N N . LEU A 1 69 ? 5.173 -6.880 2.839 1.00 23.87 ? 69 LEU A N 1 ATOM 570 C CA . LEU A 1 69 ? 6.103 -6.217 1.939 1.00 23.29 ? 69 LEU A CA 1 ATOM 571 C C . LEU A 1 69 ? 6.700 -4.980 2.597 1.00 23.30 ? 69 LEU A C 1 ATOM 572 O O . LEU A 1 69 ? 5.979 -4.140 3.115 1.00 24.04 ? 69 LEU A O 1 ATOM 573 C CB . LEU A 1 69 ? 5.385 -5.823 0.662 1.00 23.08 ? 69 LEU A CB 1 ATOM 574 C CG . LEU A 1 69 ? 6.133 -5.634 -0.670 1.00 23.87 ? 69 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 69 ? 5.928 -4.241 -1.223 1.00 24.16 ? 69 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 69 ? 7.608 -5.976 -0.613 1.00 24.57 ? 69 LEU A CD2 1 ATOM 577 N N . LYS A 1 70 ? 8.023 -4.899 2.601 1.00 22.62 ? 70 LYS A N 1 ATOM 578 C CA . LYS A 1 70 ? 8.733 -3.712 3.036 1.00 22.67 ? 70 LYS A CA 1 ATOM 579 C C . LYS A 1 70 ? 9.208 -2.908 1.818 1.00 20.86 ? 70 LYS A C 1 ATOM 580 O O . LYS A 1 70 ? 9.753 -3.462 0.878 1.00 20.26 ? 70 LYS A O 1 ATOM 581 C CB . LYS A 1 70 ? 9.920 -4.103 3.922 1.00 24.90 ? 70 LYS A CB 1 ATOM 582 C CG . LYS A 1 70 ? 9.565 -4.757 5.257 1.00 27.76 ? 70 LYS A CG 1 ATOM 583 C CD . LYS A 1 70 ? 8.292 -4.153 5.854 1.00 31.31 ? 70 LYS A CD 1 ATOM 584 C CE . LYS A 1 70 ? 7.963 -4.675 7.252 1.00 33.26 ? 70 LYS A CE 1 ATOM 585 N NZ . LYS A 1 70 ? 8.543 -3.750 8.268 1.00 35.98 ? 70 LYS A NZ 1 ATOM 586 N N . THR A 1 71 ? 8.979 -1.603 1.818 1.00 19.54 ? 71 THR A N 1 ATOM 587 C CA . THR A 1 71 ? 9.505 -0.764 0.741 1.00 19.33 ? 71 THR A CA 1 ATOM 588 C C . THR A 1 71 ? 10.457 0.284 1.280 1.00 17.75 ? 71 THR A C 1 ATOM 589 O O . THR A 1 71 ? 10.225 0.802 2.355 1.00 18.05 ? 71 THR A O 1 ATOM 590 C CB . THR A 1 71 ? 8.402 -0.023 -0.013 1.00 19.70 ? 71 THR A CB 1 ATOM 591 O OG1 . THR A 1 71 ? 7.698 0.825 0.906 1.00 21.54 ? 71 THR A OG1 1 ATOM 592 C CG2 . THR A 1 71 ? 7.446 -0.991 -0.671 1.00 19.59 ? 71 THR A CG2 1 ATOM 593 N N . LEU A 1 72 ? 11.510 0.592 0.528 1.00 16.42 ? 72 LEU A N 1 ATOM 594 C CA . LEU A 1 72 ? 12.445 1.660 0.888 1.00 16.13 ? 72 LEU A CA 1 ATOM 595 C C . LEU A 1 72 ? 12.633 2.637 -0.249 1.00 15.81 ? 72 LEU A C 1 ATOM 596 O O . LEU A 1 72 ? 12.312 2.344 -1.413 1.00 15.23 ? 72 LEU A O 1 ATOM 597 C CB . LEU A 1 72 ? 13.827 1.099 1.177 1.00 16.34 ? 72 LEU A CB 1 ATOM 598 C CG . LEU A 1 72 ? 14.025 0.419 2.514 1.00 16.46 ? 72 LEU A CG 1 ATOM 599 C CD1 . LEU A 1 72 ? 13.665 -1.053 2.434 1.00 16.23 ? 72 LEU A CD1 1 ATOM 600 C CD2 . LEU A 1 72 ? 15.482 0.602 2.916 1.00 16.80 ? 72 LEU A CD2 1 ATOM 601 N N . LEU A 1 73 ? 13.243 3.765 0.082 1.00 15.18 ? 73 LEU A N 1 ATOM 602 C CA . LEU A 1 73 ? 13.531 4.770 -0.915 1.00 14.91 ? 73 LEU A CA 1 ATOM 603 C C . LEU A 1 73 ? 15.046 5.088 -0.941 1.00 15.43 ? 73 LEU A C 1 ATOM 604 O O . LEU A 1 73 ? 15.655 5.407 0.090 1.00 13.56 ? 73 LEU A O 1 ATOM 605 C CB . LEU A 1 73 ? 12.699 6.004 -0.619 1.00 14.58 ? 73 LEU A CB 1 ATOM 606 C CG . LEU A 1 73 ? 12.950 7.199 -1.518 1.00 14.79 ? 73 LEU A CG 1 ATOM 607 C CD1 . LEU A 1 73 ? 12.354 7.036 -2.910 1.00 14.93 ? 73 LEU A CD1 1 ATOM 608 C CD2 . LEU A 1 73 ? 12.356 8.406 -0.847 1.00 15.12 ? 73 LEU A CD2 1 ATOM 609 N N . SER A 1 74 ? 15.636 4.989 -2.140 1.00 16.32 ? 74 SER A N 1 ATOM 610 C CA . SER A 1 74 ? 17.059 5.139 -2.275 1.00 17.05 ? 74 SER A CA 1 ATOM 611 C C . SER A 1 74 ? 17.420 6.579 -2.629 1.00 18.36 ? 74 SER A C 1 ATOM 612 O O . SER A 1 74 ? 16.855 7.135 -3.546 1.00 19.42 ? 74 SER A O 1 ATOM 613 C CB . SER A 1 74 ? 17.597 4.165 -3.319 1.00 16.68 ? 74 SER A CB 1 ATOM 614 O OG . SER A 1 74 ? 19.012 4.022 -3.187 1.00 16.17 ? 74 SER A OG 1 ATOM 615 N N . VAL A 1 75 ? 18.385 7.163 -1.917 1.00 20.34 ? 75 VAL A N 1 ATOM 616 C CA . VAL A 1 75 ? 18.872 8.537 -2.197 1.00 22.10 ? 75 VAL A CA 1 ATOM 617 C C . VAL A 1 75 ? 20.227 8.603 -2.899 1.00 23.50 ? 75 VAL A C 1 ATOM 618 O O . VAL A 1 75 ? 21.248 8.103 -2.380 1.00 22.46 ? 75 VAL A O 1 ATOM 619 C CB . VAL A 1 75 ? 19.128 9.390 -0.933 1.00 22.59 ? 75 VAL A CB 1 ATOM 620 C CG1 . VAL A 1 75 ? 18.748 10.850 -1.207 1.00 22.18 ? 75 VAL A CG1 1 ATOM 621 C CG2 . VAL A 1 75 ? 18.418 8.846 0.284 1.00 22.47 ? 75 VAL A CG2 1 ATOM 622 N N . GLY A 1 76 ? 20.242 9.290 -4.031 1.00 25.08 ? 76 GLY A N 1 ATOM 623 C CA . GLY A 1 76 ? 21.464 9.494 -4.764 1.00 28.23 ? 76 GLY A CA 1 ATOM 624 C C . GLY A 1 76 ? 21.419 8.759 -6.077 1.00 32.09 ? 76 GLY A C 1 ATOM 625 O O . GLY A 1 76 ? 20.672 9.143 -7.002 1.00 32.82 ? 76 GLY A O 1 ATOM 626 N N . GLY A 1 77 ? 22.206 7.691 -6.162 1.00 36.64 ? 77 GLY A N 1 ATOM 627 C CA . GLY A 1 77 ? 22.500 7.066 -7.453 1.00 40.79 ? 77 GLY A CA 1 ATOM 628 C C . GLY A 1 77 ? 23.581 7.834 -8.197 1.00 43.18 ? 77 GLY A C 1 ATOM 629 O O . GLY A 1 77 ? 24.157 8.786 -7.670 1.00 39.31 ? 77 GLY A O 1 ATOM 630 N N . TRP A 1 78 ? 23.849 7.413 -9.428 1.00 51.34 ? 78 TRP A N 1 ATOM 631 C CA . TRP A 1 78 ? 24.967 7.966 -10.228 1.00 58.19 ? 78 TRP A CA 1 ATOM 632 C C . TRP A 1 78 ? 24.634 9.336 -10.846 1.00 60.74 ? 78 TRP A C 1 ATOM 633 O O . TRP A 1 78 ? 25.515 10.181 -11.050 1.00 55.24 ? 78 TRP A O 1 ATOM 634 C CB . TRP A 1 78 ? 25.387 6.976 -11.334 1.00 57.81 ? 78 TRP A CB 1 ATOM 635 C CG . TRP A 1 78 ? 24.295 6.712 -12.301 1.00 60.75 ? 78 TRP A CG 1 ATOM 636 C CD1 . TRP A 1 78 ? 23.983 7.441 -13.418 1.00 65.83 ? 78 TRP A CD1 1 ATOM 637 C CD2 . TRP A 1 78 ? 23.334 5.667 -12.227 1.00 59.93 ? 78 TRP A CD2 1 ATOM 638 N NE1 . TRP A 1 78 ? 22.887 6.903 -14.046 1.00 63.90 ? 78 TRP A NE1 1 ATOM 639 C CE2 . TRP A 1 78 ? 22.471 5.812 -13.334 1.00 61.18 ? 78 TRP A CE2 1 ATOM 640 C CE3 . TRP A 1 78 ? 23.121 4.617 -11.341 1.00 59.98 ? 78 TRP A CE3 1 ATOM 641 C CZ2 . TRP A 1 78 ? 21.419 4.946 -13.576 1.00 61.91 ? 78 TRP A CZ2 1 ATOM 642 C CZ3 . TRP A 1 78 ? 22.068 3.762 -11.582 1.00 60.43 ? 78 TRP A CZ3 1 ATOM 643 C CH2 . TRP A 1 78 ? 21.234 3.931 -12.691 1.00 62.69 ? 78 TRP A CH2 1 ATOM 644 N N . ASN A 1 79 ? 23.370 9.523 -11.153 1.00 67.14 ? 79 ASN A N 1 ATOM 645 C CA . ASN A 1 79 ? 22.861 10.707 -11.800 1.00 71.83 ? 79 ASN A CA 1 ATOM 646 C C . ASN A 1 79 ? 23.342 12.049 -11.351 1.00 69.51 ? 79 ASN A C 1 ATOM 647 O O . ASN A 1 79 ? 23.183 13.044 -12.000 1.00 72.09 ? 79 ASN A O 1 ATOM 648 C CB . ASN A 1 79 ? 21.464 10.386 -12.283 1.00 75.65 ? 79 ASN A CB 1 ATOM 649 C CG . ASN A 1 79 ? 21.277 10.695 -13.714 1.00 78.86 ? 79 ASN A CG 1 ATOM 650 O OD1 . ASN A 1 79 ? 22.125 11.315 -14.326 1.00 79.30 ? 79 ASN A OD1 1 ATOM 651 N ND2 . ASN A 1 79 ? 20.164 10.262 -14.269 1.00 83.62 ? 79 ASN A ND2 1 ATOM 652 N N . TYR A 1 80 ? 23.907 12.066 -10.170 1.00 69.75 ? 80 TYR A N 1 ATOM 653 C CA . TYR A 1 80 ? 23.860 12.828 -8.956 1.00 69.78 ? 80 TYR A CA 1 ATOM 654 C C . TYR A 1 80 ? 25.253 12.890 -8.388 1.00 70.58 ? 80 TYR A C 1 ATOM 655 O O . TYR A 1 80 ? 25.873 11.878 -8.191 1.00 69.18 ? 80 TYR A O 1 ATOM 656 C CB . TYR A 1 80 ? 22.916 12.086 -8.040 1.00 68.86 ? 80 TYR A CB 1 ATOM 657 C CG . TYR A 1 80 ? 22.767 12.653 -6.686 1.00 65.69 ? 80 TYR A CG 1 ATOM 658 C CD1 . TYR A 1 80 ? 21.555 13.049 -6.224 1.00 63.39 ? 80 TYR A CD1 1 ATOM 659 C CD2 . TYR A 1 80 ? 23.841 12.771 -5.866 1.00 65.34 ? 80 TYR A CD2 1 ATOM 660 C CE1 . TYR A 1 80 ? 21.425 13.554 -4.978 1.00 62.76 ? 80 TYR A CE1 1 ATOM 661 C CE2 . TYR A 1 80 ? 23.721 13.287 -4.631 1.00 62.62 ? 80 TYR A CE2 1 ATOM 662 C CZ . TYR A 1 80 ? 22.518 13.662 -4.208 1.00 63.82 ? 80 TYR A CZ 1 ATOM 663 O OH . TYR A 1 80 ? 22.461 14.163 -2.976 1.00 73.54 ? 80 TYR A OH 1 ATOM 664 N N . GLY A 1 81 ? 25.763 14.084 -8.163 1.00 69.34 ? 81 GLY A N 1 ATOM 665 C CA . GLY A 1 81 ? 27.173 14.230 -7.809 1.00 69.50 ? 81 GLY A CA 1 ATOM 666 C C . GLY A 1 81 ? 27.571 13.668 -6.446 1.00 71.87 ? 81 GLY A C 1 ATOM 667 O O . GLY A 1 81 ? 26.929 13.984 -5.442 1.00 78.70 ? 81 GLY A O 1 ATOM 668 N N . SER A 1 82 ? 28.609 12.817 -6.412 1.00 68.50 ? 82 SER A N 1 ATOM 669 C CA . SER A 1 82 ? 29.329 12.456 -5.159 1.00 65.02 ? 82 SER A CA 1 ATOM 670 C C . SER A 1 82 ? 29.768 13.721 -4.408 1.00 59.69 ? 82 SER A C 1 ATOM 671 O O . SER A 1 82 ? 29.643 13.829 -3.190 1.00 48.67 ? 82 SER A O 1 ATOM 672 C CB . SER A 1 82 ? 30.572 11.610 -5.467 1.00 65.02 ? 82 SER A CB 1 ATOM 673 O OG . SER A 1 82 ? 31.434 11.510 -4.335 1.00 67.10 ? 82 SER A OG 1 ATOM 674 N N . GLN A 1 83 ? 30.220 14.642 -5.222 1.00 59.55 ? 83 GLN A N 1 ATOM 675 C CA . GLN A 1 83 ? 30.437 16.011 -4.928 1.00 55.60 ? 83 GLN A CA 1 ATOM 676 C C . GLN A 1 83 ? 29.322 16.600 -4.111 1.00 50.53 ? 83 GLN A C 1 ATOM 677 O O . GLN A 1 83 ? 29.538 17.134 -3.077 1.00 47.98 ? 83 GLN A O 1 ATOM 678 C CB . GLN A 1 83 ? 30.560 16.731 -6.261 1.00 59.21 ? 83 GLN A CB 1 ATOM 679 C CG . GLN A 1 83 ? 29.630 16.225 -7.359 1.00 63.44 ? 83 GLN A CG 1 ATOM 680 C CD . GLN A 1 83 ? 30.308 15.359 -8.403 1.00 64.99 ? 83 GLN A CD 1 ATOM 681 O OE1 . GLN A 1 83 ? 30.709 15.836 -9.451 1.00 59.83 ? 83 GLN A OE1 1 ATOM 682 N NE2 . GLN A 1 83 ? 30.404 14.070 -8.127 1.00 64.34 ? 83 GLN A NE2 1 ATOM 683 N N . ARG A 1 84 ? 28.108 16.426 -4.580 1.00 47.26 ? 84 ARG A N 1 ATOM 684 C CA . ARG A 1 84 ? 26.936 16.935 -3.898 1.00 43.83 ? 84 ARG A CA 1 ATOM 685 C C . ARG A 1 84 ? 26.657 16.248 -2.596 1.00 40.64 ? 84 ARG A C 1 ATOM 686 O O . ARG A 1 84 ? 26.347 16.858 -1.638 1.00 40.50 ? 84 ARG A O 1 ATOM 687 C CB . ARG A 1 84 ? 25.713 16.803 -4.783 1.00 43.93 ? 84 ARG A CB 1 ATOM 688 C CG . ARG A 1 84 ? 25.788 17.528 -6.109 1.00 44.62 ? 84 ARG A CG 1 ATOM 689 C CD . ARG A 1 84 ? 24.436 17.535 -6.800 1.00 43.77 ? 84 ARG A CD 1 ATOM 690 N NE . ARG A 1 84 ? 23.394 17.813 -5.845 1.00 40.45 ? 84 ARG A NE 1 ATOM 691 C CZ . ARG A 1 84 ? 22.155 17.426 -5.955 1.00 37.78 ? 84 ARG A CZ 1 ATOM 692 N NH1 . ARG A 1 84 ? 21.761 16.730 -6.978 1.00 36.92 ? 84 ARG A NH1 1 ATOM 693 N NH2 . ARG A 1 84 ? 21.334 17.722 -5.010 1.00 39.71 ? 84 ARG A NH2 1 ATOM 694 N N . PHE A 1 85 ? 26.742 14.952 -2.578 1.00 36.18 ? 85 PHE A N 1 ATOM 695 C CA . PHE A 1 85 ? 26.528 14.171 -1.361 1.00 35.88 ? 85 PHE A CA 1 ATOM 696 C C . PHE A 1 85 ? 27.548 14.507 -0.290 1.00 35.41 ? 85 PHE A C 1 ATOM 697 O O . PHE A 1 85 ? 27.239 14.615 0.891 1.00 32.58 ? 85 PHE A O 1 ATOM 698 C CB . PHE A 1 85 ? 26.645 12.680 -1.645 1.00 37.46 ? 85 PHE A CB 1 ATOM 699 C CG . PHE A 1 85 ? 25.496 11.875 -1.112 1.00 38.27 ? 85 PHE A CG 1 ATOM 700 C CD1 . PHE A 1 85 ? 25.093 12.005 0.194 1.00 37.41 ? 85 PHE A CD1 1 ATOM 701 C CD2 . PHE A 1 85 ? 24.808 10.994 -1.940 1.00 41.09 ? 85 PHE A CD2 1 ATOM 702 C CE1 . PHE A 1 85 ? 24.030 11.284 0.676 1.00 39.04 ? 85 PHE A CE1 1 ATOM 703 C CE2 . PHE A 1 85 ? 23.740 10.266 -1.465 1.00 41.81 ? 85 PHE A CE2 1 ATOM 704 C CZ . PHE A 1 85 ? 23.350 10.415 -0.147 1.00 41.13 ? 85 PHE A CZ 1 ATOM 705 N N . SER A 1 86 ? 28.783 14.658 -0.735 1.00 37.73 ? 86 SER A N 1 ATOM 706 C CA . SER A 1 86 ? 29.900 14.916 0.133 1.00 37.67 ? 86 SER A CA 1 ATOM 707 C C . SER A 1 86 ? 29.759 16.227 0.851 1.00 37.51 ? 86 SER A C 1 ATOM 708 O O . SER A 1 86 ? 30.074 16.328 2.041 1.00 35.54 ? 86 SER A O 1 ATOM 709 C CB . SER A 1 86 ? 31.166 14.967 -0.692 1.00 39.45 ? 86 SER A CB 1 ATOM 710 O OG . SER A 1 86 ? 32.273 15.112 0.166 1.00 46.08 ? 86 SER A OG 1 ATOM 711 N N . LYS A 1 87 ? 29.283 17.215 0.122 1.00 39.55 ? 87 LYS A N 1 ATOM 712 C CA . LYS A 1 87 ? 29.091 18.546 0.628 1.00 39.60 ? 87 LYS A CA 1 ATOM 713 C C . LYS A 1 87 ? 28.098 18.592 1.720 1.00 35.20 ? 87 LYS A C 1 ATOM 714 O O . LYS A 1 87 ? 28.319 19.213 2.727 1.00 37.04 ? 87 LYS A O 1 ATOM 715 C CB . LYS A 1 87 ? 28.675 19.468 -0.491 1.00 44.49 ? 87 LYS A CB 1 ATOM 716 C CG . LYS A 1 87 ? 29.740 20.471 -0.863 1.00 50.32 ? 87 LYS A CG 1 ATOM 717 C CD . LYS A 1 87 ? 29.193 21.554 -1.758 1.00 55.50 ? 87 LYS A CD 1 ATOM 718 C CE . LYS A 1 87 ? 30.318 22.391 -2.321 1.00 59.55 ? 87 LYS A CE 1 ATOM 719 N NZ . LYS A 1 87 ? 30.466 22.247 -3.790 1.00 61.22 ? 87 LYS A NZ 1 ATOM 720 N N . ILE A 1 88 ? 26.996 17.924 1.501 1.00 31.62 ? 88 ILE A N 1 ATOM 721 C CA . ILE A 1 88 ? 25.955 17.728 2.515 1.00 30.29 ? 88 ILE A CA 1 ATOM 722 C C . ILE A 1 88 ? 26.416 16.960 3.768 1.00 28.11 ? 88 ILE A C 1 ATOM 723 O O . ILE A 1 88 ? 25.935 17.247 4.854 1.00 26.98 ? 88 ILE A O 1 ATOM 724 C CB . ILE A 1 88 ? 24.742 16.992 1.901 1.00 30.33 ? 88 ILE A CB 1 ATOM 725 C CG1 . ILE A 1 88 ? 24.064 17.879 0.850 1.00 31.66 ? 88 ILE A CG1 1 ATOM 726 C CG2 . ILE A 1 88 ? 23.735 16.589 2.971 1.00 29.80 ? 88 ILE A CG2 1 ATOM 727 C CD1 . ILE A 1 88 ? 23.398 17.110 -0.261 1.00 32.00 ? 88 ILE A CD1 1 ATOM 728 N N . ALA A 1 89 ? 27.328 15.995 3.634 1.00 26.95 ? 89 ALA A N 1 ATOM 729 C CA . ALA A 1 89 ? 27.650 15.096 4.764 1.00 26.90 ? 89 ALA A CA 1 ATOM 730 C C . ALA A 1 89 ? 28.759 15.616 5.628 1.00 27.78 ? 89 ALA A C 1 ATOM 731 O O . ALA A 1 89 ? 28.752 15.409 6.826 1.00 29.77 ? 89 ALA A O 1 ATOM 732 C CB . ALA A 1 89 ? 27.994 13.706 4.270 1.00 26.27 ? 89 ALA A CB 1 ATOM 733 N N . SER A 1 90 ? 29.691 16.318 5.013 1.00 30.53 ? 90 SER A N 1 ATOM 734 C CA . SER A 1 90 ? 30.875 16.808 5.687 1.00 34.65 ? 90 SER A CA 1 ATOM 735 C C . SER A 1 90 ? 30.686 18.054 6.556 1.00 36.49 ? 90 SER A C 1 ATOM 736 O O . SER A 1 90 ? 31.588 18.397 7.313 1.00 39.20 ? 90 SER A O 1 ATOM 737 C CB . SER A 1 90 ? 31.943 17.090 4.639 1.00 38.16 ? 90 SER A CB 1 ATOM 738 O OG . SER A 1 90 ? 31.454 17.992 3.659 1.00 41.42 ? 90 SER A OG 1 ATOM 739 N N . LYS A 1 91 ? 29.507 18.626 6.532 1.00 39.51 ? 91 LYS A N 1 ATOM 740 C CA . LYS A 1 91 ? 29.189 19.737 7.373 1.00 42.51 ? 91 LYS A CA 1 ATOM 741 C C . LYS A 1 91 ? 28.169 19.328 8.388 1.00 40.91 ? 91 LYS A C 1 ATOM 742 O O . LYS A 1 91 ? 27.266 18.632 8.076 1.00 41.26 ? 91 LYS A O 1 ATOM 743 C CB . LYS A 1 91 ? 28.633 20.840 6.525 1.00 47.09 ? 91 LYS A CB 1 ATOM 744 C CG . LYS A 1 91 ? 29.641 21.891 6.173 1.00 50.97 ? 91 LYS A CG 1 ATOM 745 C CD . LYS A 1 91 ? 29.033 22.860 5.214 1.00 55.46 ? 91 LYS A CD 1 ATOM 746 C CE . LYS A 1 91 ? 28.883 22.250 3.860 1.00 65.32 ? 91 LYS A CE 1 ATOM 747 N NZ . LYS A 1 91 ? 27.910 23.041 3.097 1.00 72.39 ? 91 LYS A NZ 1 ATOM 748 N N . THR A 1 92 ? 28.314 19.724 9.630 1.00 38.47 ? 92 THR A N 1 ATOM 749 C CA . THR A 1 92 ? 27.377 19.161 10.603 1.00 38.66 ? 92 THR A CA 1 ATOM 750 C C . THR A 1 92 ? 25.959 19.718 10.375 1.00 38.60 ? 92 THR A C 1 ATOM 751 O O . THR A 1 92 ? 24.975 19.008 10.591 1.00 42.20 ? 92 THR A O 1 ATOM 752 C CB . THR A 1 92 ? 27.857 19.185 12.114 1.00 38.94 ? 92 THR A CB 1 ATOM 753 O OG1 . THR A 1 92 ? 27.515 20.398 12.772 1.00 36.18 ? 92 THR A OG1 1 ATOM 754 C CG2 . THR A 1 92 ? 29.350 18.931 12.265 1.00 39.17 ? 92 THR A CG2 1 ATOM 755 N N . GLN A 1 93 ? 25.855 20.936 9.859 1.00 37.54 ? 93 GLN A N 1 ATOM 756 C CA . GLN A 1 93 ? 24.561 21.613 9.718 1.00 39.20 ? 93 GLN A CA 1 ATOM 757 C C . GLN A 1 93 ? 23.698 21.100 8.541 1.00 38.02 ? 93 GLN A C 1 ATOM 758 O O . GLN A 1 93 ? 22.481 20.893 8.685 1.00 37.16 ? 93 GLN A O 1 ATOM 759 C CB . GLN A 1 93 ? 24.787 23.127 9.590 1.00 45.32 ? 93 GLN A CB 1 ATOM 760 C CG . GLN A 1 93 ? 23.921 24.006 10.512 1.00 50.75 ? 93 GLN A CG 1 ATOM 761 C CD . GLN A 1 93 ? 22.585 24.459 9.907 1.00 55.76 ? 93 GLN A CD 1 ATOM 762 O OE1 . GLN A 1 93 ? 21.568 24.539 10.617 1.00 61.23 ? 93 GLN A OE1 1 ATOM 763 N NE2 . GLN A 1 93 ? 22.580 24.779 8.605 1.00 56.80 ? 93 GLN A NE2 1 ATOM 764 N N . SER A 1 94 ? 24.309 20.920 7.372 1.00 35.09 ? 94 SER A N 1 ATOM 765 C CA . SER A 1 94 ? 23.587 20.355 6.233 1.00 32.10 ? 94 SER A CA 1 ATOM 766 C C . SER A 1 94 ? 23.241 18.912 6.505 1.00 30.77 ? 94 SER A C 1 ATOM 767 O O . SER A 1 94 ? 22.171 18.442 6.128 1.00 32.15 ? 94 SER A O 1 ATOM 768 C CB . SER A 1 94 ? 24.414 20.451 4.956 1.00 32.29 ? 94 SER A CB 1 ATOM 769 O OG . SER A 1 94 ? 25.788 20.352 5.235 1.00 32.91 ? 94 SER A OG 1 ATOM 770 N N . ARG A 1 95 ? 24.161 18.210 7.157 1.00 29.78 ? 95 ARG A N 1 ATOM 771 C CA . ARG A 1 95 ? 23.955 16.821 7.520 1.00 28.84 ? 95 ARG A CA 1 ATOM 772 C C . ARG A 1 95 ? 22.716 16.756 8.375 1.00 28.84 ? 95 ARG A C 1 ATOM 773 O O . ARG A 1 95 ? 21.765 16.087 8.010 1.00 30.33 ? 95 ARG A O 1 ATOM 774 C CB . ARG A 1 95 ? 25.176 16.256 8.261 1.00 28.72 ? 95 ARG A CB 1 ATOM 775 C CG . ARG A 1 95 ? 25.053 14.793 8.650 1.00 28.17 ? 95 ARG A CG 1 ATOM 776 C CD . ARG A 1 95 ? 26.388 14.184 9.039 1.00 27.94 ? 95 ARG A CD 1 ATOM 777 N NE . ARG A 1 95 ? 26.875 14.686 10.324 1.00 28.60 ? 95 ARG A NE 1 ATOM 778 C CZ . ARG A 1 95 ? 27.993 15.399 10.503 1.00 29.17 ? 95 ARG A CZ 1 ATOM 779 N NH1 . ARG A 1 95 ? 28.808 15.707 9.485 1.00 29.14 ? 95 ARG A NH1 1 ATOM 780 N NH2 . ARG A 1 95 ? 28.313 15.797 11.727 1.00 28.39 ? 95 ARG A NH2 1 ATOM 781 N N . ARG A 1 96 ? 22.701 17.499 9.474 1.00 27.92 ? 96 ARG A N 1 ATOM 782 C CA . ARG A 1 96 ? 21.536 17.528 10.361 1.00 29.17 ? 96 ARG A CA 1 ATOM 783 C C . ARG A 1 96 ? 20.217 17.831 9.638 1.00 25.67 ? 96 ARG A C 1 ATOM 784 O O . ARG A 1 96 ? 19.214 17.174 9.851 1.00 25.33 ? 96 ARG A O 1 ATOM 785 C CB . ARG A 1 96 ? 21.746 18.575 11.444 1.00 33.85 ? 96 ARG A CB 1 ATOM 786 C CG . ARG A 1 96 ? 21.082 18.240 12.755 1.00 39.48 ? 96 ARG A CG 1 ATOM 787 C CD . ARG A 1 96 ? 19.564 18.373 12.719 1.00 46.04 ? 96 ARG A CD 1 ATOM 788 N NE . ARG A 1 96 ? 18.964 17.112 13.184 1.00 54.48 ? 96 ARG A NE 1 ATOM 789 C CZ . ARG A 1 96 ? 18.516 16.862 14.421 1.00 57.74 ? 96 ARG A CZ 1 ATOM 790 N NH1 . ARG A 1 96 ? 18.542 17.785 15.390 1.00 61.17 ? 96 ARG A NH1 1 ATOM 791 N NH2 . ARG A 1 96 ? 18.021 15.662 14.686 1.00 57.99 ? 96 ARG A NH2 1 ATOM 792 N N . THR A 1 97 ? 20.230 18.844 8.794 1.00 23.63 ? 97 THR A N 1 ATOM 793 C CA . THR A 1 97 ? 19.045 19.274 8.078 1.00 23.05 ? 97 THR A CA 1 ATOM 794 C C . THR A 1 97 ? 18.522 18.115 7.256 1.00 22.16 ? 97 THR A C 1 ATOM 795 O O . THR A 1 97 ? 17.340 17.782 7.301 1.00 20.97 ? 97 THR A O 1 ATOM 796 C CB . THR A 1 97 ? 19.387 20.483 7.163 1.00 22.91 ? 97 THR A CB 1 ATOM 797 O OG1 . THR A 1 97 ? 19.767 21.586 7.981 1.00 23.35 ? 97 THR A OG1 1 ATOM 798 C CG2 . THR A 1 97 ? 18.224 20.912 6.277 1.00 22.47 ? 97 THR A CG2 1 ATOM 799 N N . PHE A 1 98 ? 19.423 17.514 6.501 1.00 21.74 ? 98 PHE A N 1 ATOM 800 C CA . PHE A 1 98 ? 19.071 16.401 5.665 1.00 23.23 ? 98 PHE A CA 1 ATOM 801 C C . PHE A 1 98 ? 18.546 15.216 6.472 1.00 23.97 ? 98 PHE A C 1 ATOM 802 O O . PHE A 1 98 ? 17.557 14.606 6.102 1.00 26.03 ? 98 PHE A O 1 ATOM 803 C CB . PHE A 1 98 ? 20.268 15.972 4.832 1.00 23.30 ? 98 PHE A CB 1 ATOM 804 C CG . PHE A 1 98 ? 20.082 14.646 4.192 1.00 22.97 ? 98 PHE A CG 1 ATOM 805 C CD1 . PHE A 1 98 ? 19.101 14.464 3.232 1.00 23.23 ? 98 PHE A CD1 1 ATOM 806 C CD2 . PHE A 1 98 ? 20.864 13.563 4.559 1.00 23.02 ? 98 PHE A CD2 1 ATOM 807 C CE1 . PHE A 1 98 ? 18.909 13.218 2.639 1.00 22.87 ? 98 PHE A CE1 1 ATOM 808 C CE2 . PHE A 1 98 ? 20.679 12.316 3.969 1.00 22.83 ? 98 PHE A CE2 1 ATOM 809 C CZ . PHE A 1 98 ? 19.696 12.141 3.015 1.00 22.35 ? 98 PHE A CZ 1 ATOM 810 N N . ILE A 1 99 ? 19.185 14.896 7.578 1.00 24.14 ? 99 ILE A N 1 ATOM 811 C CA . ILE A 1 99 ? 18.710 13.813 8.433 1.00 25.28 ? 99 ILE A CA 1 ATOM 812 C C . ILE A 1 99 ? 17.302 14.073 8.975 1.00 25.51 ? 99 ILE A C 1 ATOM 813 O O . ILE A 1 99 ? 16.459 13.169 8.993 1.00 24.57 ? 99 ILE A O 1 ATOM 814 C CB . ILE A 1 99 ? 19.671 13.579 9.614 1.00 26.58 ? 99 ILE A CB 1 ATOM 815 C CG1 . ILE A 1 99 ? 21.001 13.000 9.116 1.00 26.93 ? 99 ILE A CG1 1 ATOM 816 C CG2 . ILE A 1 99 ? 19.052 12.643 10.630 1.00 27.47 ? 99 ILE A CG2 1 ATOM 817 C CD1 . ILE A 1 99 ? 22.049 12.862 10.196 1.00 26.96 ? 99 ILE A CD1 1 ATOM 818 N N . LYS A 1 100 ? 17.035 15.293 9.431 1.00 26.78 ? 100 LYS A N 1 ATOM 819 C CA . LYS A 1 100 ? 15.699 15.586 10.002 1.00 27.52 ? 100 LYS A CA 1 ATOM 820 C C . LYS A 1 100 ? 14.631 15.564 8.941 1.00 24.75 ? 100 LYS A C 1 ATOM 821 O O . LYS A 1 100 ? 13.456 15.311 9.234 1.00 23.44 ? 100 LYS A O 1 ATOM 822 C CB . LYS A 1 100 ? 15.652 16.926 10.729 1.00 30.42 ? 100 LYS A CB 1 ATOM 823 C CG . LYS A 1 100 ? 16.001 16.844 12.207 1.00 35.58 ? 100 LYS A CG 1 ATOM 824 C CD . LYS A 1 100 ? 15.070 15.898 12.990 1.00 40.04 ? 100 LYS A CD 1 ATOM 825 C CE . LYS A 1 100 ? 15.010 16.208 14.500 1.00 41.27 ? 100 LYS A CE 1 ATOM 826 N NZ . LYS A 1 100 ? 14.666 15.041 15.373 1.00 39.80 ? 100 LYS A NZ 1 ATOM 827 N N . SER A 1 101 ? 15.046 15.803 7.701 1.00 22.81 ? 101 SER A N 1 ATOM 828 C CA . SER A 1 101 ? 14.111 15.842 6.605 1.00 21.74 ? 101 SER A CA 1 ATOM 829 C C . SER A 1 101 ? 13.597 14.455 6.287 1.00 22.07 ? 101 SER A C 1 ATOM 830 O O . SER A 1 101 ? 12.550 14.321 5.674 1.00 21.25 ? 101 SER A O 1 ATOM 831 C CB . SER A 1 101 ? 14.779 16.417 5.370 1.00 21.93 ? 101 SER A CB 1 ATOM 832 O OG . SER A 1 101 ? 15.580 15.448 4.682 1.00 22.21 ? 101 SER A OG 1 ATOM 833 N N . VAL A 1 102 ? 14.332 13.419 6.695 1.00 21.95 ? 102 VAL A N 1 ATOM 834 C CA . VAL A 1 102 ? 14.095 12.105 6.130 1.00 22.72 ? 102 VAL A CA 1 ATOM 835 C C . VAL A 1 102 ? 12.857 11.323 6.626 1.00 23.70 ? 102 VAL A C 1 ATOM 836 O O . VAL A 1 102 ? 12.081 10.878 5.790 1.00 25.08 ? 102 VAL A O 1 ATOM 837 C CB . VAL A 1 102 ? 15.375 11.259 6.134 1.00 22.82 ? 102 VAL A CB 1 ATOM 838 C CG1 . VAL A 1 102 ? 15.091 9.824 5.702 1.00 23.01 ? 102 VAL A CG1 1 ATOM 839 C CG2 . VAL A 1 102 ? 16.361 11.865 5.164 1.00 23.24 ? 102 VAL A CG2 1 ATOM 840 N N . PRO A 1 103 ? 12.670 11.124 7.954 1.00 24.36 ? 103 PRO A N 1 ATOM 841 C CA . PRO A 1 103 ? 11.482 10.377 8.432 1.00 23.66 ? 103 PRO A CA 1 ATOM 842 C C . PRO A 1 103 ? 10.131 10.979 8.054 1.00 23.40 ? 103 PRO A C 1 ATOM 843 O O . PRO A 1 103 ? 9.267 10.242 7.557 1.00 24.21 ? 103 PRO A O 1 ATOM 844 C CB . PRO A 1 103 ? 11.644 10.362 9.954 1.00 24.44 ? 103 PRO A CB 1 ATOM 845 C CG . PRO A 1 103 ? 13.101 10.543 10.184 1.00 25.21 ? 103 PRO A CG 1 ATOM 846 C CD . PRO A 1 103 ? 13.610 11.410 9.056 1.00 25.57 ? 103 PRO A CD 1 ATOM 847 N N . PRO A 1 104 ? 9.932 12.292 8.286 1.00 22.25 ? 104 PRO A N 1 ATOM 848 C CA . PRO A 1 104 ? 8.641 12.825 7.911 1.00 21.71 ? 104 PRO A CA 1 ATOM 849 C C . PRO A 1 104 ? 8.336 12.570 6.432 1.00 21.11 ? 104 PRO A C 1 ATOM 850 O O . PRO A 1 104 ? 7.201 12.285 6.081 1.00 21.37 ? 104 PRO A O 1 ATOM 851 C CB . PRO A 1 104 ? 8.783 14.334 8.186 1.00 22.26 ? 104 PRO A CB 1 ATOM 852 C CG . PRO A 1 104 ? 9.942 14.477 9.108 1.00 22.14 ? 104 PRO A CG 1 ATOM 853 C CD . PRO A 1 104 ? 10.858 13.360 8.716 1.00 22.89 ? 104 PRO A CD 1 ATOM 854 N N . PHE A 1 105 ? 9.341 12.651 5.575 1.00 20.08 ? 105 PHE A N 1 ATOM 855 C CA . PHE A 1 105 ? 9.127 12.435 4.160 1.00 19.97 ? 105 PHE A CA 1 ATOM 856 C C . PHE A 1 105 ? 8.767 10.978 3.901 1.00 21.40 ? 105 PHE A C 1 ATOM 857 O O . PHE A 1 105 ? 7.803 10.659 3.195 1.00 21.90 ? 105 PHE A O 1 ATOM 858 C CB . PHE A 1 105 ? 10.389 12.768 3.414 1.00 19.21 ? 105 PHE A CB 1 ATOM 859 C CG . PHE A 1 105 ? 10.236 12.779 1.921 1.00 19.26 ? 105 PHE A CG 1 ATOM 860 C CD1 . PHE A 1 105 ? 9.811 13.912 1.272 1.00 19.03 ? 105 PHE A CD1 1 ATOM 861 C CD2 . PHE A 1 105 ? 10.563 11.667 1.161 1.00 19.60 ? 105 PHE A CD2 1 ATOM 862 C CE1 . PHE A 1 105 ? 9.696 13.949 -0.104 1.00 19.25 ? 105 PHE A CE1 1 ATOM 863 C CE2 . PHE A 1 105 ? 10.455 11.693 -0.223 1.00 19.66 ? 105 PHE A CE2 1 ATOM 864 C CZ . PHE A 1 105 ? 10.026 12.845 -0.860 1.00 19.49 ? 105 PHE A CZ 1 ATOM 865 N N . LEU A 1 106 ? 9.570 10.095 4.474 1.00 22.68 ? 106 LEU A N 1 ATOM 866 C CA . LEU A 1 106 ? 9.372 8.649 4.368 1.00 23.57 ? 106 LEU A CA 1 ATOM 867 C C . LEU A 1 106 ? 7.949 8.263 4.791 1.00 24.33 ? 106 LEU A C 1 ATOM 868 O O . LEU A 1 106 ? 7.210 7.631 4.046 1.00 24.88 ? 106 LEU A O 1 ATOM 869 C CB . LEU A 1 106 ? 10.421 7.906 5.220 1.00 23.39 ? 106 LEU A CB 1 ATOM 870 C CG . LEU A 1 106 ? 11.581 7.140 4.556 1.00 23.47 ? 106 LEU A CG 1 ATOM 871 C CD1 . LEU A 1 106 ? 12.251 7.881 3.423 1.00 23.52 ? 106 LEU A CD1 1 ATOM 872 C CD2 . LEU A 1 106 ? 12.622 6.724 5.578 1.00 23.46 ? 106 LEU A CD2 1 ATOM 873 N N . ARG A 1 107 ? 7.578 8.680 5.985 1.00 25.40 ? 107 ARG A N 1 ATOM 874 C CA . ARG A 1 107 ? 6.248 8.427 6.537 1.00 26.02 ? 107 ARG A CA 1 ATOM 875 C C . ARG A 1 107 ? 5.108 8.942 5.637 1.00 25.80 ? 107 ARG A C 1 ATOM 876 O O . ARG A 1 107 ? 4.197 8.207 5.309 1.00 26.28 ? 107 ARG A O 1 ATOM 877 C CB . ARG A 1 107 ? 6.147 9.084 7.935 1.00 25.67 ? 107 ARG A CB 1 ATOM 878 C CG . ARG A 1 107 ? 6.108 8.091 9.071 1.00 26.02 ? 107 ARG A CG 1 ATOM 879 C CD . ARG A 1 107 ? 7.436 7.455 9.400 1.00 25.85 ? 107 ARG A CD 1 ATOM 880 N NE . ARG A 1 107 ? 7.337 5.990 9.318 1.00 27.42 ? 107 ARG A NE 1 ATOM 881 C CZ . ARG A 1 107 ? 7.798 5.110 10.216 1.00 28.48 ? 107 ARG A CZ 1 ATOM 882 N NH1 . ARG A 1 107 ? 8.415 5.510 11.339 1.00 29.24 ? 107 ARG A NH1 1 ATOM 883 N NH2 . ARG A 1 107 ? 7.633 3.804 9.983 1.00 26.71 ? 107 ARG A NH2 1 ATOM 884 N N . THR A 1 108 ? 5.157 10.220 5.279 1.00 24.97 ? 108 THR A N 1 ATOM 885 C CA . THR A 1 108 ? 4.200 10.835 4.364 1.00 25.12 ? 108 THR A CA 1 ATOM 886 C C . THR A 1 108 ? 3.923 9.992 3.120 1.00 24.35 ? 108 THR A C 1 ATOM 887 O O . THR A 1 108 ? 2.787 9.913 2.672 1.00 22.82 ? 108 THR A O 1 ATOM 888 C CB . THR A 1 108 ? 4.789 12.175 3.873 1.00 26.59 ? 108 THR A CB 1 ATOM 889 O OG1 . THR A 1 108 ? 5.119 12.954 5.019 1.00 28.83 ? 108 THR A OG1 1 ATOM 890 C CG2 . THR A 1 108 ? 3.848 12.961 2.979 1.00 25.80 ? 108 THR A CG2 1 ATOM 891 N N . HIS A 1 109 ? 4.976 9.404 2.546 1.00 23.78 ? 109 HIS A N 1 ATOM 892 C CA . HIS A 1 109 ? 4.870 8.673 1.287 1.00 23.15 ? 109 HIS A CA 1 ATOM 893 C C . HIS A 1 109 ? 4.801 7.167 1.469 1.00 22.85 ? 109 HIS A C 1 ATOM 894 O O . HIS A 1 109 ? 4.709 6.403 0.507 1.00 22.93 ? 109 HIS A O 1 ATOM 895 C CB . HIS A 1 109 ? 6.001 9.096 0.367 1.00 23.28 ? 109 HIS A CB 1 ATOM 896 C CG . HIS A 1 109 ? 5.867 10.518 -0.092 1.00 24.33 ? 109 HIS A CG 1 ATOM 897 N ND1 . HIS A 1 109 ? 4.713 11.004 -0.676 1.00 23.50 ? 109 HIS A ND1 1 ATOM 898 C CD2 . HIS A 1 109 ? 6.714 11.570 -0.001 1.00 23.91 ? 109 HIS A CD2 1 ATOM 899 C CE1 . HIS A 1 109 ? 4.875 12.280 -0.958 1.00 22.77 ? 109 HIS A CE1 1 ATOM 900 N NE2 . HIS A 1 109 ? 6.081 12.646 -0.566 1.00 23.18 ? 109 HIS A NE2 1 ATOM 901 N N . GLY A 1 110 ? 4.789 6.748 2.722 1.00 22.58 ? 110 GLY A N 1 ATOM 902 C CA . GLY A 1 110 ? 4.505 5.364 3.070 1.00 22.52 ? 110 GLY A CA 1 ATOM 903 C C . GLY A 1 110 ? 5.640 4.372 2.913 1.00 22.55 ? 110 GLY A C 1 ATOM 904 O O . GLY A 1 110 ? 5.374 3.198 2.709 1.00 22.90 ? 110 GLY A O 1 ATOM 905 N N . PHE A 1 111 ? 6.891 4.843 2.990 1.00 21.99 ? 111 PHE A N 1 ATOM 906 C CA . PHE A 1 111 ? 8.066 3.976 2.906 1.00 21.15 ? 111 PHE A CA 1 ATOM 907 C C . PHE A 1 111 ? 8.463 3.457 4.267 1.00 21.34 ? 111 PHE A C 1 ATOM 908 O O . PHE A 1 111 ? 8.150 4.060 5.270 1.00 22.18 ? 111 PHE A O 1 ATOM 909 C CB . PHE A 1 111 ? 9.240 4.743 2.335 1.00 20.99 ? 111 PHE A CB 1 ATOM 910 C CG . PHE A 1 111 ? 9.163 4.943 0.855 1.00 20.25 ? 111 PHE A CG 1 ATOM 911 C CD1 . PHE A 1 111 ? 9.445 3.890 -0.010 1.00 19.04 ? 111 PHE A CD1 1 ATOM 912 C CD2 . PHE A 1 111 ? 8.835 6.188 0.323 1.00 19.30 ? 111 PHE A CD2 1 ATOM 913 C CE1 . PHE A 1 111 ? 9.387 4.076 -1.379 1.00 18.48 ? 111 PHE A CE1 1 ATOM 914 C CE2 . PHE A 1 111 ? 8.793 6.380 -1.043 1.00 18.60 ? 111 PHE A CE2 1 ATOM 915 C CZ . PHE A 1 111 ? 9.062 5.318 -1.894 1.00 18.66 ? 111 PHE A CZ 1 ATOM 916 N N . ASP A 1 112 ? 9.188 2.348 4.288 1.00 21.59 ? 112 ASP A N 1 ATOM 917 C CA . ASP A 1 112 ? 9.574 1.680 5.538 1.00 22.24 ? 112 ASP A CA 1 ATOM 918 C C . ASP A 1 112 ? 11.031 1.934 5.942 1.00 21.07 ? 112 ASP A C 1 ATOM 919 O O . ASP A 1 112 ? 11.485 1.556 7.048 1.00 19.57 ? 112 ASP A O 1 ATOM 920 C CB . ASP A 1 112 ? 9.290 0.185 5.396 1.00 23.75 ? 112 ASP A CB 1 ATOM 921 C CG . ASP A 1 112 ? 7.817 -0.081 5.209 1.00 25.75 ? 112 ASP A CG 1 ATOM 922 O OD1 . ASP A 1 112 ? 7.060 0.400 6.096 1.00 26.17 ? 112 ASP A OD1 1 ATOM 923 O OD2 . ASP A 1 112 ? 7.417 -0.693 4.172 1.00 26.22 ? 112 ASP A OD2 1 ATOM 924 N N . GLY A 1 113 ? 11.756 2.584 5.036 1.00 20.20 ? 113 GLY A N 1 ATOM 925 C CA . GLY A 1 113 ? 13.085 3.037 5.332 1.00 19.49 ? 113 GLY A CA 1 ATOM 926 C C . GLY A 1 113 ? 13.763 3.779 4.210 1.00 19.33 ? 113 GLY A C 1 ATOM 927 O O . GLY A 1 113 ? 13.137 4.215 3.211 1.00 18.32 ? 113 GLY A O 1 ATOM 928 N N . LEU A 1 114 ? 15.075 3.910 4.415 1.00 19.34 ? 114 LEU A N 1 ATOM 929 C CA . LEU A 1 114 ? 15.964 4.621 3.525 1.00 18.51 ? 114 LEU A CA 1 ATOM 930 C C . LEU A 1 114 ? 17.113 3.707 3.096 1.00 19.19 ? 114 LEU A C 1 ATOM 931 O O . LEU A 1 114 ? 17.691 2.991 3.914 1.00 18.83 ? 114 LEU A O 1 ATOM 932 C CB . LEU A 1 114 ? 16.516 5.863 4.234 1.00 17.36 ? 114 LEU A CB 1 ATOM 933 C CG . LEU A 1 114 ? 17.266 6.810 3.276 1.00 16.92 ? 114 LEU A CG 1 ATOM 934 C CD1 . LEU A 1 114 ? 16.294 7.615 2.445 1.00 16.64 ? 114 LEU A CD1 1 ATOM 935 C CD2 . LEU A 1 114 ? 18.195 7.753 4.013 1.00 16.56 ? 114 LEU A CD2 1 ATOM 936 N N . ASP A 1 115 ? 17.422 3.734 1.802 1.00 20.58 ? 115 ASP A N 1 ATOM 937 C CA . ASP A 1 115 ? 18.667 3.183 1.274 1.00 21.49 ? 115 ASP A CA 1 ATOM 938 C C . ASP A 1 115 ? 19.596 4.319 0.850 1.00 21.25 ? 115 ASP A C 1 ATOM 939 O O . ASP A 1 115 ? 19.237 5.096 -0.010 1.00 22.07 ? 115 ASP A O 1 ATOM 940 C CB . ASP A 1 115 ? 18.384 2.297 0.060 1.00 22.38 ? 115 ASP A CB 1 ATOM 941 C CG . ASP A 1 115 ? 19.630 1.539 -0.428 1.00 24.07 ? 115 ASP A CG 1 ATOM 942 O OD1 . ASP A 1 115 ? 20.207 0.726 0.357 1.00 25.08 ? 115 ASP A OD1 1 ATOM 943 O OD2 . ASP A 1 115 ? 20.021 1.748 -1.610 1.00 24.80 ? 115 ASP A OD2 1 ATOM 944 N N . LEU A 1 116 ? 20.780 4.432 1.415 1.00 21.21 ? 116 LEU A N 1 ATOM 945 C CA . LEU A 1 116 ? 21.752 5.381 0.924 1.00 20.88 ? 116 LEU A CA 1 ATOM 946 C C . LEU A 1 116 ? 22.414 4.851 -0.285 1.00 21.43 ? 116 LEU A C 1 ATOM 947 O O . LEU A 1 116 ? 22.996 3.828 -0.229 1.00 22.02 ? 116 LEU A O 1 ATOM 948 C CB . LEU A 1 116 ? 22.828 5.628 1.948 1.00 20.68 ? 116 LEU A CB 1 ATOM 949 C CG . LEU A 1 116 ? 22.365 5.923 3.345 1.00 21.51 ? 116 LEU A CG 1 ATOM 950 C CD1 . LEU A 1 116 ? 23.505 5.709 4.285 1.00 21.87 ? 116 LEU A CD1 1 ATOM 951 C CD2 . LEU A 1 116 ? 21.827 7.323 3.495 1.00 20.71 ? 116 LEU A CD2 1 ATOM 952 N N . ALA A 1 117 ? 22.329 5.564 -1.391 1.00 21.34 ? 117 ALA A N 1 ATOM 953 C CA . ALA A 1 117 ? 23.095 5.200 -2.658 1.00 21.26 ? 117 ALA A CA 1 ATOM 954 C C . ALA A 1 117 ? 23.920 6.447 -2.798 1.00 20.93 ? 117 ALA A C 1 ATOM 955 O O . ALA A 1 117 ? 23.557 7.334 -3.560 1.00 21.65 ? 117 ALA A O 1 ATOM 956 C CB . ALA A 1 117 ? 22.114 4.888 -3.730 1.00 21.50 ? 117 ALA A CB 1 ATOM 957 N N . TRP A 1 118 ? 25.053 6.533 -2.195 1.00 21.48 ? 118 TRP A N 1 ATOM 958 C CA . TRP A 1 118 ? 26.145 7.450 -2.451 1.00 22.41 ? 118 TRP A CA 1 ATOM 959 C C . TRP A 1 118 ? 27.160 6.755 -3.202 1.00 22.25 ? 118 TRP A C 1 ATOM 960 O O . TRP A 1 118 ? 27.833 5.888 -2.742 1.00 24.18 ? 118 TRP A O 1 ATOM 961 C CB . TRP A 1 118 ? 26.751 7.909 -1.085 1.00 21.85 ? 118 TRP A CB 1 ATOM 962 C CG . TRP A 1 118 ? 27.846 8.906 -1.203 1.00 21.49 ? 118 TRP A CG 1 ATOM 963 C CD1 . TRP A 1 118 ? 28.473 9.290 -2.305 1.00 21.27 ? 118 TRP A CD1 1 ATOM 964 C CD2 . TRP A 1 118 ? 28.419 9.645 -0.149 1.00 20.74 ? 118 TRP A CD2 1 ATOM 965 N NE1 . TRP A 1 118 ? 29.408 10.221 -2.024 1.00 21.36 ? 118 TRP A NE1 1 ATOM 966 C CE2 . TRP A 1 118 ? 29.395 10.448 -0.690 1.00 20.56 ? 118 TRP A CE2 1 ATOM 967 C CE3 . TRP A 1 118 ? 28.185 9.714 1.212 1.00 21.10 ? 118 TRP A CE3 1 ATOM 968 C CZ2 . TRP A 1 118 ? 30.131 11.284 0.061 1.00 20.73 ? 118 TRP A CZ2 1 ATOM 969 C CZ3 . TRP A 1 118 ? 28.928 10.538 1.947 1.00 21.12 ? 118 TRP A CZ3 1 ATOM 970 C CH2 . TRP A 1 118 ? 29.881 11.315 1.382 1.00 21.61 ? 118 TRP A CH2 1 ATOM 971 N N . LEU A 1 119 ? 27.266 7.168 -4.448 1.00 30.00 ? 119 LEU A N 1 ATOM 972 C CA . LEU A 1 119 ? 28.078 6.489 -5.425 1.00 30.00 ? 119 LEU A CA 1 ATOM 973 C C . LEU A 1 119 ? 29.090 7.437 -6.025 1.00 30.00 ? 119 LEU A C 1 ATOM 974 O O . LEU A 1 119 ? 28.806 8.066 -7.010 1.00 30.00 ? 119 LEU A O 1 ATOM 975 C CB . LEU A 1 119 ? 27.200 5.923 -6.532 1.00 20.00 ? 119 LEU A CB 1 ATOM 976 C CG . LEU A 1 119 ? 26.073 4.980 -6.212 1.00 20.00 ? 119 LEU A CG 1 ATOM 977 C CD1 . LEU A 1 119 ? 25.569 4.498 -7.525 1.00 20.00 ? 119 LEU A CD1 1 ATOM 978 C CD2 . LEU A 1 119 ? 26.390 3.824 -5.301 1.00 20.00 ? 119 LEU A CD2 1 ATOM 979 N N . TRP A 1 120 ? 30.273 7.537 -5.446 1.00 35.45 ? 120 TRP A N 1 ATOM 980 C CA . TRP A 1 120 ? 30.666 6.803 -4.275 1.00 39.32 ? 120 TRP A CA 1 ATOM 981 C C . TRP A 1 120 ? 31.490 7.776 -3.565 1.00 36.40 ? 120 TRP A C 1 ATOM 982 O O . TRP A 1 120 ? 31.817 8.769 -4.120 1.00 38.66 ? 120 TRP A O 1 ATOM 983 C CB . TRP A 1 120 ? 31.502 5.582 -4.620 1.00 41.84 ? 120 TRP A CB 1 ATOM 984 C CG . TRP A 1 120 ? 31.285 5.067 -5.945 1.00 46.73 ? 120 TRP A CG 1 ATOM 985 C CD1 . TRP A 1 120 ? 31.743 5.604 -7.075 1.00 51.01 ? 120 TRP A CD1 1 ATOM 986 C CD2 . TRP A 1 120 ? 30.501 3.951 -6.316 1.00 48.38 ? 120 TRP A CD2 1 ATOM 987 N NE1 . TRP A 1 120 ? 31.321 4.881 -8.146 1.00 53.88 ? 120 TRP A NE1 1 ATOM 988 C CE2 . TRP A 1 120 ? 30.549 3.856 -7.698 1.00 48.89 ? 120 TRP A CE2 1 ATOM 989 C CE3 . TRP A 1 120 ? 29.790 3.018 -5.619 1.00 49.79 ? 120 TRP A CE3 1 ATOM 990 C CZ2 . TRP A 1 120 ? 29.927 2.875 -8.387 1.00 49.22 ? 120 TRP A CZ2 1 ATOM 991 C CZ3 . TRP A 1 120 ? 29.174 2.056 -6.306 1.00 52.05 ? 120 TRP A CZ3 1 ATOM 992 C CH2 . TRP A 1 120 ? 29.242 1.983 -7.681 1.00 52.37 ? 120 TRP A CH2 1 ATOM 993 N N . PRO A 1 121 ? 31.826 7.517 -2.330 1.00 35.04 ? 121 PRO A N 1 ATOM 994 C CA . PRO A 1 121 ? 32.667 8.434 -1.541 1.00 35.48 ? 121 PRO A CA 1 ATOM 995 C C . PRO A 1 121 ? 34.138 8.389 -1.893 1.00 34.37 ? 121 PRO A C 1 ATOM 996 O O . PRO A 1 121 ? 34.635 7.364 -2.323 1.00 33.42 ? 121 PRO A O 1 ATOM 997 C CB . PRO A 1 121 ? 32.481 7.947 -0.093 1.00 35.32 ? 121 PRO A CB 1 ATOM 998 C CG . PRO A 1 121 ? 31.362 6.969 -0.128 1.00 34.70 ? 121 PRO A CG 1 ATOM 999 C CD . PRO A 1 121 ? 31.354 6.396 -1.501 1.00 34.16 ? 121 PRO A CD 1 ATOM 1000 N N . GLY A 1 122 ? 34.818 9.511 -1.691 1.00 34.79 ? 122 GLY A N 1 ATOM 1001 C CA . GLY A 1 122 ? 36.268 9.576 -1.818 1.00 34.43 ? 122 GLY A CA 1 ATOM 1002 C C . GLY A 1 122 ? 36.963 9.249 -0.505 1.00 33.81 ? 122 GLY A C 1 ATOM 1003 O O . GLY A 1 122 ? 36.316 9.037 0.515 1.00 33.79 ? 122 GLY A O 1 ATOM 1004 N N . TRP A 1 123 ? 38.289 9.212 -0.518 1.00 32.09 ? 123 TRP A N 1 ATOM 1005 C CA . TRP A 1 123 ? 39.027 8.951 0.705 1.00 30.46 ? 123 TRP A CA 1 ATOM 1006 C C . TRP A 1 123 ? 38.814 10.052 1.743 1.00 29.32 ? 123 TRP A C 1 ATOM 1007 O O . TRP A 1 123 ? 38.814 9.780 2.929 1.00 27.89 ? 123 TRP A O 1 ATOM 1008 C CB . TRP A 1 123 ? 40.517 8.697 0.416 1.00 31.45 ? 123 TRP A CB 1 ATOM 1009 C CG . TRP A 1 123 ? 41.272 9.817 -0.219 1.00 31.81 ? 123 TRP A CG 1 ATOM 1010 C CD1 . TRP A 1 123 ? 41.467 10.036 -1.561 1.00 32.96 ? 123 TRP A CD1 1 ATOM 1011 C CD2 . TRP A 1 123 ? 41.953 10.867 0.463 1.00 31.43 ? 123 TRP A CD2 1 ATOM 1012 N NE1 . TRP A 1 123 ? 42.226 11.173 -1.750 1.00 32.51 ? 123 TRP A NE1 1 ATOM 1013 C CE2 . TRP A 1 123 ? 42.542 11.695 -0.521 1.00 31.94 ? 123 TRP A CE2 1 ATOM 1014 C CE3 . TRP A 1 123 ? 42.119 11.195 1.819 1.00 30.25 ? 123 TRP A CE3 1 ATOM 1015 C CZ2 . TRP A 1 123 ? 43.288 12.823 -0.191 1.00 32.39 ? 123 TRP A CZ2 1 ATOM 1016 C CZ3 . TRP A 1 123 ? 42.864 12.311 2.147 1.00 30.47 ? 123 TRP A CZ3 1 ATOM 1017 C CH2 . TRP A 1 123 ? 43.444 13.112 1.149 1.00 31.82 ? 123 TRP A CH2 1 ATOM 1018 N N . ARG A 1 124 ? 38.582 11.287 1.307 1.00 29.62 ? 124 ARG A N 1 ATOM 1019 C CA . ARG A 1 124 ? 38.246 12.355 2.263 1.00 30.14 ? 124 ARG A CA 1 ATOM 1020 C C . ARG A 1 124 ? 36.835 12.191 2.862 1.00 31.74 ? 124 ARG A C 1 ATOM 1021 O O . ARG A 1 124 ? 36.532 12.757 3.924 1.00 30.83 ? 124 ARG A O 1 ATOM 1022 C CB . ARG A 1 124 ? 38.358 13.723 1.609 1.00 29.63 ? 124 ARG A CB 1 ATOM 1023 C CG . ARG A 1 124 ? 39.736 14.079 1.079 1.00 29.81 ? 124 ARG A CG 1 ATOM 1024 C CD . ARG A 1 124 ? 39.769 15.513 0.551 1.00 30.53 ? 124 ARG A CD 1 ATOM 1025 N NE . ARG A 1 124 ? 41.000 15.852 -0.179 1.00 31.49 ? 124 ARG A NE 1 ATOM 1026 C CZ . ARG A 1 124 ? 41.316 15.391 -1.393 1.00 32.23 ? 124 ARG A CZ 1 ATOM 1027 N NH1 . ARG A 1 124 ? 40.532 14.534 -2.033 1.00 31.68 ? 124 ARG A NH1 1 ATOM 1028 N NH2 . ARG A 1 124 ? 42.442 15.767 -1.972 1.00 33.52 ? 124 ARG A NH2 1 ATOM 1029 N N . ASP A 1 125 ? 35.984 11.414 2.178 1.00 33.11 ? 125 ASP A N 1 ATOM 1030 C CA . ASP A 1 125 ? 34.566 11.241 2.544 1.00 31.63 ? 125 ASP A CA 1 ATOM 1031 C C . ASP A 1 125 ? 34.299 10.110 3.518 1.00 30.39 ? 125 ASP A C 1 ATOM 1032 O O . ASP A 1 125 ? 33.265 10.099 4.145 1.00 29.18 ? 125 ASP A O 1 ATOM 1033 C CB . ASP A 1 125 ? 33.720 10.976 1.294 1.00 33.65 ? 125 ASP A CB 1 ATOM 1034 C CG . ASP A 1 125 ? 33.683 12.161 0.333 1.00 36.72 ? 125 ASP A CG 1 ATOM 1035 O OD1 . ASP A 1 125 ? 33.506 13.281 0.857 1.00 35.96 ? 125 ASP A OD1 1 ATOM 1036 O OD2 . ASP A 1 125 ? 33.788 11.971 -0.930 1.00 38.15 ? 125 ASP A OD2 1 ATOM 1037 N N . LYS A 1 126 ? 35.206 9.147 3.639 1.00 31.85 ? 126 LYS A N 1 ATOM 1038 C CA . LYS A 1 126 ? 34.961 7.947 4.469 1.00 32.80 ? 126 LYS A CA 1 ATOM 1039 C C . LYS A 1 126 ? 34.551 8.273 5.909 1.00 30.93 ? 126 LYS A C 1 ATOM 1040 O O . LYS A 1 126 ? 33.716 7.599 6.481 1.00 29.64 ? 126 LYS A O 1 ATOM 1041 C CB . LYS A 1 126 ? 36.200 7.026 4.471 1.00 35.32 ? 126 LYS A CB 1 ATOM 1042 C CG . LYS A 1 126 ? 36.108 5.860 5.453 1.00 38.25 ? 126 LYS A CG 1 ATOM 1043 C CD . LYS A 1 126 ? 37.410 5.082 5.592 1.00 39.27 ? 126 LYS A CD 1 ATOM 1044 C CE . LYS A 1 126 ? 37.669 4.216 4.374 1.00 42.42 ? 126 LYS A CE 1 ATOM 1045 N NZ . LYS A 1 126 ? 38.512 3.028 4.715 1.00 44.52 ? 126 LYS A NZ 1 ATOM 1046 N N . ARG A 1 127 ? 35.173 9.294 6.481 1.00 32.54 ? 127 ARG A N 1 ATOM 1047 C CA . ARG A 1 127 ? 34.897 9.777 7.847 1.00 35.60 ? 127 ARG A CA 1 ATOM 1048 C C . ARG A 1 127 ? 33.423 10.236 8.044 1.00 33.29 ? 127 ARG A C 1 ATOM 1049 O O . ARG A 1 127 ? 32.751 9.899 9.032 1.00 33.11 ? 127 ARG A O 1 ATOM 1050 C CB . ARG A 1 127 ? 35.829 10.962 8.101 1.00 42.84 ? 127 ARG A CB 1 ATOM 1051 C CG . ARG A 1 127 ? 36.040 11.328 9.555 1.00 50.50 ? 127 ARG A CG 1 ATOM 1052 C CD . ARG A 1 127 ? 35.986 12.839 9.782 1.00 56.16 ? 127 ARG A CD 1 ATOM 1053 N NE . ARG A 1 127 ? 37.033 13.606 9.091 1.00 62.30 ? 127 ARG A NE 1 ATOM 1054 C CZ . ARG A 1 127 ? 37.230 14.923 9.256 1.00 67.93 ? 127 ARG A CZ 1 ATOM 1055 N NH1 . ARG A 1 127 ? 36.458 15.637 10.087 1.00 64.30 ? 127 ARG A NH1 1 ATOM 1056 N NH2 . ARG A 1 127 ? 38.205 15.540 8.592 1.00 68.65 ? 127 ARG A NH2 1 ATOM 1057 N N . HIS A 1 128 ? 32.940 10.997 7.067 1.00 29.03 ? 128 HIS A N 1 ATOM 1058 C CA . HIS A 1 128 ? 31.584 11.553 7.037 1.00 26.62 ? 128 HIS A CA 1 ATOM 1059 C C . HIS A 1 128 ? 30.489 10.584 6.649 1.00 24.93 ? 128 HIS A C 1 ATOM 1060 O O . HIS A 1 128 ? 29.342 10.756 7.013 1.00 23.04 ? 128 HIS A O 1 ATOM 1061 C CB . HIS A 1 128 ? 31.574 12.697 6.052 1.00 26.49 ? 128 HIS A CB 1 ATOM 1062 C CG . HIS A 1 128 ? 32.664 13.690 6.308 1.00 26.70 ? 128 HIS A CG 1 ATOM 1063 N ND1 . HIS A 1 128 ? 32.929 14.186 7.569 1.00 26.89 ? 128 HIS A ND1 1 ATOM 1064 C CD2 . HIS A 1 128 ? 33.567 14.260 5.482 1.00 25.34 ? 128 HIS A CD2 1 ATOM 1065 C CE1 . HIS A 1 128 ? 33.941 15.030 7.505 1.00 25.91 ? 128 HIS A CE1 1 ATOM 1066 N NE2 . HIS A 1 128 ? 34.342 15.096 6.250 1.00 26.12 ? 128 HIS A NE2 1 ATOM 1067 N N . LEU A 1 129 ? 30.848 9.561 5.896 1.00 25.11 ? 129 LEU A N 1 ATOM 1068 C CA . LEU A 1 129 ? 29.907 8.526 5.585 1.00 24.67 ? 129 LEU A CA 1 ATOM 1069 C C . LEU A 1 129 ? 29.542 7.905 6.915 1.00 24.78 ? 129 LEU A C 1 ATOM 1070 O O . LEU A 1 129 ? 28.370 7.804 7.248 1.00 25.15 ? 129 LEU A O 1 ATOM 1071 C CB . LEU A 1 129 ? 30.532 7.474 4.678 1.00 24.78 ? 129 LEU A CB 1 ATOM 1072 C CG . LEU A 1 129 ? 29.595 6.645 3.794 1.00 25.97 ? 129 LEU A CG 1 ATOM 1073 C CD1 . LEU A 1 129 ? 30.074 5.190 3.757 1.00 26.34 ? 129 LEU A CD1 1 ATOM 1074 C CD2 . LEU A 1 129 ? 28.136 6.694 4.223 1.00 25.66 ? 129 LEU A CD2 1 ATOM 1075 N N . THR A 1 130 ? 30.557 7.520 7.692 1.00 23.74 ? 130 THR A N 1 ATOM 1076 C CA . THR A 1 130 ? 30.336 6.780 8.926 1.00 21.93 ? 130 THR A CA 1 ATOM 1077 C C . THR A 1 130 ? 29.424 7.558 9.822 1.00 21.50 ? 130 THR A C 1 ATOM 1078 O O . THR A 1 130 ? 28.431 7.029 10.301 1.00 21.02 ? 130 THR A O 1 ATOM 1079 C CB . THR A 1 130 ? 31.647 6.515 9.649 1.00 21.68 ? 130 THR A CB 1 ATOM 1080 O OG1 . THR A 1 130 ? 32.447 5.642 8.839 1.00 21.52 ? 130 THR A OG1 1 ATOM 1081 C CG2 . THR A 1 130 ? 31.401 5.877 11.014 1.00 21.10 ? 130 THR A CG2 1 ATOM 1082 N N . THR A 1 131 ? 29.761 8.831 9.997 1.00 21.90 ? 131 THR A N 1 ATOM 1083 C CA . THR A 1 131 ? 28.999 9.763 10.845 1.00 21.60 ? 131 THR A CA 1 ATOM 1084 C C . THR A 1 131 ? 27.567 9.866 10.381 1.00 20.42 ? 131 THR A C 1 ATOM 1085 O O . THR A 1 131 ? 26.630 9.855 11.169 1.00 21.22 ? 131 THR A O 1 ATOM 1086 C CB . THR A 1 131 ? 29.649 11.174 10.829 1.00 21.64 ? 131 THR A CB 1 ATOM 1087 O OG1 . THR A 1 131 ? 30.836 11.163 11.613 1.00 21.79 ? 131 THR A OG1 1 ATOM 1088 C CG2 . THR A 1 131 ? 28.747 12.216 11.432 1.00 22.10 ? 131 THR A CG2 1 ATOM 1089 N N . LEU A 1 132 ? 27.408 9.994 9.086 1.00 19.74 ? 132 LEU A N 1 ATOM 1090 C CA . LEU A 1 132 ? 26.087 10.122 8.511 1.00 20.58 ? 132 LEU A CA 1 ATOM 1091 C C . LEU A 1 132 ? 25.215 8.913 8.780 1.00 20.96 ? 132 LEU A C 1 ATOM 1092 O O . LEU A 1 132 ? 24.074 9.059 9.116 1.00 21.01 ? 132 LEU A O 1 ATOM 1093 C CB . LEU A 1 132 ? 26.211 10.304 7.007 1.00 20.27 ? 132 LEU A CB 1 ATOM 1094 C CG . LEU A 1 132 ? 24.948 10.169 6.203 1.00 19.92 ? 132 LEU A CG 1 ATOM 1095 C CD1 . LEU A 1 132 ? 23.980 11.239 6.638 1.00 20.97 ? 132 LEU A CD1 1 ATOM 1096 C CD2 . LEU A 1 132 ? 25.290 10.361 4.745 1.00 20.22 ? 132 LEU A CD2 1 ATOM 1097 N N . VAL A 1 133 ? 25.761 7.722 8.607 1.00 22.11 ? 133 VAL A N 1 ATOM 1098 C CA . VAL A 1 133 ? 25.034 6.495 8.908 1.00 23.63 ? 133 VAL A CA 1 ATOM 1099 C C . VAL A 1 133 ? 24.643 6.460 10.396 1.00 25.59 ? 133 VAL A C 1 ATOM 1100 O O . VAL A 1 133 ? 23.470 6.200 10.761 1.00 23.83 ? 133 VAL A O 1 ATOM 1101 C CB . VAL A 1 133 ? 25.882 5.253 8.548 1.00 23.33 ? 133 VAL A CB 1 ATOM 1102 C CG1 . VAL A 1 133 ? 25.269 3.994 9.104 1.00 23.43 ? 133 VAL A CG1 1 ATOM 1103 C CG2 . VAL A 1 133 ? 26.028 5.112 7.043 1.00 23.40 ? 133 VAL A CG2 1 ATOM 1104 N N . LYS A 1 134 ? 25.629 6.672 11.229 1.00 28.18 ? 134 LYS A N 1 ATOM 1105 C CA . LYS A 1 134 ? 25.511 6.714 12.655 1.00 30.60 ? 134 LYS A CA 1 ATOM 1106 C C . LYS A 1 134 ? 24.406 7.619 13.078 1.00 29.16 ? 134 LYS A C 1 ATOM 1107 O O . LYS A 1 134 ? 23.523 7.236 13.767 1.00 27.71 ? 134 LYS A O 1 ATOM 1108 C CB . LYS A 1 134 ? 26.799 7.280 13.206 1.00 34.60 ? 134 LYS A CB 1 ATOM 1109 C CG . LYS A 1 134 ? 27.404 6.543 14.353 1.00 40.25 ? 134 LYS A CG 1 ATOM 1110 C CD . LYS A 1 134 ? 28.772 7.108 14.667 1.00 44.81 ? 134 LYS A CD 1 ATOM 1111 C CE . LYS A 1 134 ? 29.836 6.014 14.699 1.00 50.50 ? 134 LYS A CE 1 ATOM 1112 N NZ . LYS A 1 134 ? 31.043 6.327 15.521 1.00 50.87 ? 134 LYS A NZ 1 ATOM 1113 N N . GLU A 1 135 ? 24.470 8.836 12.618 1.00 27.96 ? 135 GLU A N 1 ATOM 1114 C CA . GLU A 1 135 ? 23.569 9.856 13.012 1.00 27.29 ? 135 GLU A CA 1 ATOM 1115 C C . GLU A 1 135 ? 22.182 9.726 12.440 1.00 25.84 ? 135 GLU A C 1 ATOM 1116 O O . GLU A 1 135 ? 21.227 10.162 13.010 1.00 26.21 ? 135 GLU A O 1 ATOM 1117 C CB . GLU A 1 135 ? 24.179 11.152 12.565 1.00 27.59 ? 135 GLU A CB 1 ATOM 1118 C CG . GLU A 1 135 ? 25.211 11.637 13.517 1.00 28.35 ? 135 GLU A CG 1 ATOM 1119 C CD . GLU A 1 135 ? 25.587 13.051 13.318 1.00 31.16 ? 135 GLU A CD 1 ATOM 1120 O OE1 . GLU A 1 135 ? 25.229 13.626 12.316 1.00 31.15 ? 135 GLU A OE1 1 ATOM 1121 O OE2 . GLU A 1 135 ? 26.291 13.589 14.164 1.00 33.19 ? 135 GLU A OE2 1 ATOM 1122 N N . MET A 1 136 ? 22.104 9.166 11.268 1.00 24.54 ? 136 MET A N 1 ATOM 1123 C CA . MET A 1 136 ? 20.860 8.890 10.596 1.00 22.55 ? 136 MET A CA 1 ATOM 1124 C C . MET A 1 136 ? 20.127 7.799 11.318 1.00 22.06 ? 136 MET A C 1 ATOM 1125 O O . MET A 1 136 ? 18.924 7.863 11.495 1.00 20.83 ? 136 MET A O 1 ATOM 1126 C CB . MET A 1 136 ? 21.141 8.390 9.204 1.00 22.95 ? 136 MET A CB 1 ATOM 1127 C CG . MET A 1 136 ? 19.880 8.010 8.447 1.00 24.11 ? 136 MET A CG 1 ATOM 1128 S SD . MET A 1 136 ? 18.797 9.423 8.174 1.00 25.14 ? 136 MET A SD 1 ATOM 1129 C CE . MET A 1 136 ? 19.561 10.111 6.701 1.00 24.15 ? 136 MET A CE 1 ATOM 1130 N N . LYS A 1 137 ? 20.860 6.767 11.698 1.00 22.54 ? 137 LYS A N 1 ATOM 1131 C CA . LYS A 1 137 ? 20.277 5.692 12.491 1.00 23.15 ? 137 LYS A CA 1 ATOM 1132 C C . LYS A 1 137 ? 19.810 6.151 13.840 1.00 21.90 ? 137 LYS A C 1 ATOM 1133 O O . LYS A 1 137 ? 18.760 5.743 14.274 1.00 21.64 ? 137 LYS A O 1 ATOM 1134 C CB . LYS A 1 137 ? 21.278 4.561 12.718 1.00 24.72 ? 137 LYS A CB 1 ATOM 1135 C CG . LYS A 1 137 ? 20.726 3.412 13.548 1.00 25.65 ? 137 LYS A CG 1 ATOM 1136 C CD . LYS A 1 137 ? 19.372 2.937 13.043 1.00 27.57 ? 137 LYS A CD 1 ATOM 1137 C CE . LYS A 1 137 ? 19.124 1.500 13.445 1.00 29.49 ? 137 LYS A CE 1 ATOM 1138 N NZ . LYS A 1 137 ? 19.689 0.556 12.437 1.00 30.81 ? 137 LYS A NZ 1 ATOM 1139 N N . ALA A 1 138 ? 20.602 6.976 14.519 1.00 21.88 ? 138 ALA A N 1 ATOM 1140 C CA . ALA A 1 138 ? 20.186 7.497 15.821 1.00 21.88 ? 138 ALA A CA 1 ATOM 1141 C C . ALA A 1 138 ? 18.859 8.233 15.659 1.00 22.87 ? 138 ALA A C 1 ATOM 1142 O O . ALA A 1 138 ? 17.970 8.091 16.493 1.00 24.61 ? 138 ALA A O 1 ATOM 1143 C CB . ALA A 1 138 ? 21.243 8.401 16.426 1.00 21.19 ? 138 ALA A CB 1 ATOM 1144 N N . GLU A 1 139 ? 18.715 8.974 14.562 1.00 22.65 ? 139 GLU A N 1 ATOM 1145 C CA . GLU A 1 139 ? 17.459 9.629 14.234 1.00 23.92 ? 139 GLU A CA 1 ATOM 1146 C C . GLU A 1 139 ? 16.279 8.661 14.008 1.00 24.31 ? 139 GLU A C 1 ATOM 1147 O O . GLU A 1 139 ? 15.143 8.974 14.381 1.00 23.13 ? 139 GLU A O 1 ATOM 1148 C CB . GLU A 1 139 ? 17.638 10.518 13.008 1.00 24.30 ? 139 GLU A CB 1 ATOM 1149 C CG . GLU A 1 139 ? 16.393 11.308 12.641 1.00 26.72 ? 139 GLU A CG 1 ATOM 1150 C CD . GLU A 1 139 ? 15.969 12.362 13.684 1.00 30.10 ? 139 GLU A CD 1 ATOM 1151 O OE1 . GLU A 1 139 ? 16.801 12.801 14.543 1.00 31.05 ? 139 GLU A OE1 1 ATOM 1152 O OE2 . GLU A 1 139 ? 14.776 12.775 13.635 1.00 31.07 ? 139 GLU A OE2 1 ATOM 1153 N N . PHE A 1 140 ? 16.543 7.507 13.386 1.00 24.41 ? 140 PHE A N 1 ATOM 1154 C CA . PHE A 1 140 ? 15.510 6.508 13.161 1.00 24.16 ? 140 PHE A CA 1 ATOM 1155 C C . PHE A 1 140 ? 15.128 5.883 14.505 1.00 26.48 ? 140 PHE A C 1 ATOM 1156 O O . PHE A 1 140 ? 13.983 5.458 14.698 1.00 27.66 ? 140 PHE A O 1 ATOM 1157 C CB . PHE A 1 140 ? 15.991 5.428 12.194 1.00 23.02 ? 140 PHE A CB 1 ATOM 1158 C CG . PHE A 1 140 ? 16.003 5.848 10.737 1.00 23.25 ? 140 PHE A CG 1 ATOM 1159 C CD1 . PHE A 1 140 ? 15.965 7.177 10.350 1.00 23.24 ? 140 PHE A CD1 1 ATOM 1160 C CD2 . PHE A 1 140 ? 16.121 4.893 9.736 1.00 23.16 ? 140 PHE A CD2 1 ATOM 1161 C CE1 . PHE A 1 140 ? 15.990 7.534 9.000 1.00 23.12 ? 140 PHE A CE1 1 ATOM 1162 C CE2 . PHE A 1 140 ? 16.173 5.256 8.399 1.00 22.85 ? 140 PHE A CE2 1 ATOM 1163 C CZ . PHE A 1 140 ? 16.096 6.575 8.025 1.00 22.36 ? 140 PHE A CZ 1 ATOM 1164 N N . VAL A 1 141 ? 16.082 5.830 15.433 1.00 26.85 ? 141 VAL A N 1 ATOM 1165 C CA . VAL A 1 141 ? 15.826 5.285 16.762 1.00 29.01 ? 141 VAL A CA 1 ATOM 1166 C C . VAL A 1 141 ? 14.937 6.232 17.564 1.00 30.47 ? 141 VAL A C 1 ATOM 1167 O O . VAL A 1 141 ? 14.009 5.800 18.240 1.00 29.91 ? 141 VAL A O 1 ATOM 1168 C CB . VAL A 1 141 ? 17.153 5.012 17.532 1.00 29.27 ? 141 VAL A CB 1 ATOM 1169 C CG1 . VAL A 1 141 ? 16.919 4.898 19.036 1.00 27.52 ? 141 VAL A CG1 1 ATOM 1170 C CG2 . VAL A 1 141 ? 17.825 3.738 17.002 1.00 28.91 ? 141 VAL A CG2 1 ATOM 1171 N N . ARG A 1 142 ? 15.246 7.519 17.471 1.00 33.51 ? 142 ARG A N 1 ATOM 1172 C CA . ARG A 1 142 ? 14.520 8.578 18.171 1.00 37.70 ? 142 ARG A CA 1 ATOM 1173 C C . ARG A 1 142 ? 13.107 8.814 17.629 1.00 37.16 ? 142 ARG A C 1 ATOM 1174 O O . ARG A 1 142 ? 12.235 9.250 18.378 1.00 37.45 ? 142 ARG A O 1 ATOM 1175 C CB . ARG A 1 142 ? 15.335 9.889 18.111 1.00 42.92 ? 142 ARG A CB 1 ATOM 1176 C CG . ARG A 1 142 ? 15.049 10.926 19.208 1.00 48.04 ? 142 ARG A CG 1 ATOM 1177 C CD . ARG A 1 142 ? 16.317 11.678 19.623 1.00 51.68 ? 142 ARG A CD 1 ATOM 1178 N NE . ARG A 1 142 ? 17.101 12.064 18.445 1.00 61.78 ? 142 ARG A NE 1 ATOM 1179 C CZ . ARG A 1 142 ? 18.187 11.435 17.953 1.00 66.92 ? 142 ARG A CZ 1 ATOM 1180 N NH1 . ARG A 1 142 ? 18.706 10.345 18.539 1.00 67.44 ? 142 ARG A NH1 1 ATOM 1181 N NH2 . ARG A 1 142 ? 18.775 11.914 16.844 1.00 65.80 ? 142 ARG A NH2 1 ATOM 1182 N N . GLU A 1 143 ? 12.850 8.463 16.377 1.00 37.42 ? 143 GLU A N 1 ATOM 1183 C CA . GLU A 1 143 ? 11.522 8.596 15.805 1.00 38.12 ? 143 GLU A CA 1 ATOM 1184 C C . GLU A 1 143 ? 10.700 7.396 16.013 1.00 35.64 ? 143 GLU A C 1 ATOM 1185 O O . GLU A 1 143 ? 9.520 7.419 15.846 1.00 35.74 ? 143 GLU A O 1 ATOM 1186 C CB . GLU A 1 143 ? 11.527 8.858 14.312 1.00 40.34 ? 143 GLU A CB 1 ATOM 1187 C CG . GLU A 1 143 ? 10.119 9.062 13.770 1.00 42.20 ? 143 GLU A CG 1 ATOM 1188 C CD . GLU A 1 143 ? 9.619 8.051 12.756 1.00 43.14 ? 143 GLU A CD 1 ATOM 1189 O OE1 . GLU A 1 143 ? 10.030 6.899 12.733 1.00 42.32 ? 143 GLU A OE1 1 ATOM 1190 O OE2 . GLU A 1 143 ? 8.763 8.410 11.971 1.00 43.79 ? 143 GLU A OE2 1 ATOM 1191 N N . ALA A 1 144 ? 11.344 6.321 16.333 1.00 34.17 ? 144 ALA A N 1 ATOM 1192 C CA . ALA A 1 144 ? 10.623 5.093 16.677 1.00 34.45 ? 144 ALA A CA 1 ATOM 1193 C C . ALA A 1 144 ? 9.846 5.274 17.986 1.00 35.46 ? 144 ALA A C 1 ATOM 1194 O O . ALA A 1 144 ? 8.812 4.620 18.202 1.00 36.41 ? 144 ALA A O 1 ATOM 1195 C CB . ALA A 1 144 ? 11.581 3.916 16.795 1.00 34.06 ? 144 ALA A CB 1 ATOM 1196 N N . GLN A 1 145 ? 10.322 6.170 18.851 1.00 32.89 ? 145 GLN A N 1 ATOM 1197 C CA . GLN A 1 145 ? 9.631 6.425 20.100 1.00 32.07 ? 145 GLN A CA 1 ATOM 1198 C C . GLN A 1 145 ? 8.186 6.842 19.906 1.00 33.38 ? 145 GLN A C 1 ATOM 1199 O O . GLN A 1 145 ? 7.395 6.687 20.827 1.00 34.23 ? 145 GLN A O 1 ATOM 1200 C CB . GLN A 1 145 ? 10.295 7.549 20.860 1.00 30.75 ? 145 GLN A CB 1 ATOM 1201 C CG . GLN A 1 145 ? 11.618 7.219 21.468 1.00 29.10 ? 145 GLN A CG 1 ATOM 1202 C CD . GLN A 1 145 ? 12.459 8.454 21.638 1.00 29.50 ? 145 GLN A CD 1 ATOM 1203 O OE1 . GLN A 1 145 ? 12.009 9.579 21.412 1.00 28.62 ? 145 GLN A OE1 1 ATOM 1204 N NE2 . GLN A 1 145 ? 13.701 8.254 22.008 1.00 30.85 ? 145 GLN A NE2 1 ATOM 1205 N N . ALA A 1 146 ? 7.850 7.406 18.747 1.00 34.25 ? 146 ALA A N 1 ATOM 1206 C CA . ALA A 1 146 ? 6.500 7.945 18.496 1.00 36.90 ? 146 ALA A CA 1 ATOM 1207 C C . ALA A 1 146 ? 5.398 6.911 18.174 1.00 38.33 ? 146 ALA A C 1 ATOM 1208 O O . ALA A 1 146 ? 4.301 7.289 17.743 1.00 37.89 ? 146 ALA A O 1 ATOM 1209 C CB . ALA A 1 146 ? 6.557 8.994 17.393 1.00 37.15 ? 146 ALA A CB 1 ATOM 1210 N N . GLY A 1 147 ? 5.747 5.655 18.309 1.00 40.17 ? 147 GLY A N 1 ATOM 1211 C CA . GLY A 1 147 ? 4.847 4.553 18.141 1.00 42.30 ? 147 GLY A CA 1 ATOM 1212 C C . GLY A 1 147 ? 4.781 3.888 16.805 1.00 44.30 ? 147 GLY A C 1 ATOM 1213 O O . GLY A 1 147 ? 4.287 2.798 16.721 1.00 45.68 ? 147 GLY A O 1 ATOM 1214 N N . THR A 1 148 ? 5.309 4.516 15.773 1.00 47.82 ? 148 THR A N 1 ATOM 1215 C CA . THR A 1 148 ? 5.449 3.849 14.491 1.00 51.57 ? 148 THR A CA 1 ATOM 1216 C C . THR A 1 148 ? 6.676 2.983 14.454 1.00 46.35 ? 148 THR A C 1 ATOM 1217 O O . THR A 1 148 ? 7.654 3.295 15.067 1.00 47.63 ? 148 THR A O 1 ATOM 1218 C CB . THR A 1 148 ? 5.436 4.805 13.294 1.00 56.92 ? 148 THR A CB 1 ATOM 1219 O OG1 . THR A 1 148 ? 5.208 6.136 13.729 1.00 63.30 ? 148 THR A OG1 1 ATOM 1220 C CG2 . THR A 1 148 ? 4.351 4.446 12.361 1.00 55.35 ? 148 THR A CG2 1 ATOM 1221 N N . GLU A 1 149 ? 6.592 1.890 13.729 1.00 41.95 ? 149 GLU A N 1 ATOM 1222 C CA . GLU A 1 149 ? 7.657 0.934 13.624 1.00 41.52 ? 149 GLU A CA 1 ATOM 1223 C C . GLU A 1 149 ? 8.961 1.496 13.081 1.00 39.37 ? 149 GLU A C 1 ATOM 1224 O O . GLU A 1 149 ? 8.987 2.151 12.083 1.00 39.53 ? 149 GLU A O 1 ATOM 1225 C CB . GLU A 1 149 ? 7.158 -0.186 12.759 1.00 45.74 ? 149 GLU A CB 1 ATOM 1226 C CG . GLU A 1 149 ? 8.203 -1.098 12.194 1.00 51.15 ? 149 GLU A CG 1 ATOM 1227 C CD . GLU A 1 149 ? 7.874 -2.520 12.385 1.00 60.28 ? 149 GLU A CD 1 ATOM 1228 O OE1 . GLU A 1 149 ? 8.803 -3.331 12.410 1.00 64.12 ? 149 GLU A OE1 1 ATOM 1229 O OE2 . GLU A 1 149 ? 6.686 -2.830 12.514 1.00 69.71 ? 149 GLU A OE2 1 ATOM 1230 N N . GLN A 1 150 ? 10.060 1.158 13.716 1.00 32.11 ? 150 GLN A N 1 ATOM 1231 C CA . GLN A 1 150 ? 11.347 1.757 13.374 1.00 28.26 ? 150 GLN A CA 1 ATOM 1232 C C . GLN A 1 150 ? 11.794 1.596 11.911 1.00 27.00 ? 150 GLN A C 1 ATOM 1233 O O . GLN A 1 150 ? 11.912 0.483 11.375 1.00 24.89 ? 150 GLN A O 1 ATOM 1234 C CB . GLN A 1 150 ? 12.453 1.220 14.250 1.00 26.89 ? 150 GLN A CB 1 ATOM 1235 C CG . GLN A 1 150 ? 13.767 1.898 13.959 1.00 27.11 ? 150 GLN A CG 1 ATOM 1236 C CD . GLN A 1 150 ? 14.883 1.405 14.849 1.00 29.42 ? 150 GLN A CD 1 ATOM 1237 O OE1 . GLN A 1 150 ? 15.863 0.834 14.386 1.00 28.29 ? 150 GLN A OE1 1 ATOM 1238 N NE2 . GLN A 1 150 ? 14.746 1.642 16.141 1.00 32.85 ? 150 GLN A NE2 1 ATOM 1239 N N . LEU A 1 151 ? 12.102 2.739 11.309 1.00 24.73 ? 151 LEU A N 1 ATOM 1240 C CA . LEU A 1 151 ? 12.561 2.802 9.946 1.00 23.39 ? 151 LEU A CA 1 ATOM 1241 C C . LEU A 1 151 ? 13.816 1.949 9.716 1.00 22.47 ? 151 LEU A C 1 ATOM 1242 O O . LEU A 1 151 ? 14.677 1.805 10.588 1.00 21.38 ? 151 LEU A O 1 ATOM 1243 C CB . LEU A 1 151 ? 12.815 4.255 9.560 1.00 23.53 ? 151 LEU A CB 1 ATOM 1244 C CG . LEU A 1 151 ? 11.554 5.141 9.559 1.00 23.95 ? 151 LEU A CG 1 ATOM 1245 C CD1 . LEU A 1 151 ? 11.932 6.617 9.551 1.00 23.90 ? 151 LEU A CD1 1 ATOM 1246 C CD2 . LEU A 1 151 ? 10.650 4.818 8.374 1.00 23.84 ? 151 LEU A CD2 1 ATOM 1247 N N . LEU A 1 152 ? 13.899 1.358 8.532 1.00 20.32 ? 152 LEU A N 1 ATOM 1248 C CA . LEU A 1 152 ? 15.071 0.613 8.193 1.00 19.20 ? 152 LEU A CA 1 ATOM 1249 C C . LEU A 1 152 ? 16.085 1.537 7.562 1.00 18.94 ? 152 LEU A C 1 ATOM 1250 O O . LEU A 1 152 ? 15.729 2.490 6.852 1.00 19.16 ? 152 LEU A O 1 ATOM 1251 C CB . LEU A 1 152 ? 14.702 -0.473 7.201 1.00 19.37 ? 152 LEU A CB 1 ATOM 1252 C CG . LEU A 1 152 ? 13.622 -1.460 7.616 1.00 18.74 ? 152 LEU A CG 1 ATOM 1253 C CD1 . LEU A 1 152 ? 13.300 -2.325 6.405 1.00 18.95 ? 152 LEU A CD1 1 ATOM 1254 C CD2 . LEU A 1 152 ? 14.091 -2.288 8.796 1.00 18.12 ? 152 LEU A CD2 1 ATOM 1255 N N . LEU A 1 153 ? 17.357 1.235 7.766 1.00 18.35 ? 153 LEU A N 1 ATOM 1256 C CA . LEU A 1 153 ? 18.418 1.977 7.082 1.00 18.00 ? 153 LEU A CA 1 ATOM 1257 C C . LEU A 1 153 ? 19.362 0.997 6.408 1.00 17.85 ? 153 LEU A C 1 ATOM 1258 O O . LEU A 1 153 ? 19.900 0.119 7.069 1.00 17.95 ? 153 LEU A O 1 ATOM 1259 C CB . LEU A 1 153 ? 19.190 2.842 8.077 1.00 17.51 ? 153 LEU A CB 1 ATOM 1260 C CG . LEU A 1 153 ? 20.397 3.590 7.527 1.00 17.17 ? 153 LEU A CG 1 ATOM 1261 C CD1 . LEU A 1 153 ? 19.989 4.585 6.464 1.00 17.28 ? 153 LEU A CD1 1 ATOM 1262 C CD2 . LEU A 1 153 ? 21.115 4.300 8.653 1.00 17.36 ? 153 LEU A CD2 1 ATOM 1263 N N . SER A 1 154 ? 19.566 1.153 5.108 1.00 17.37 ? 154 SER A N 1 ATOM 1264 C CA . SER A 1 154 ? 20.455 0.281 4.394 1.00 18.33 ? 154 SER A CA 1 ATOM 1265 C C . SER A 1 154 ? 21.341 1.118 3.546 1.00 18.90 ? 154 SER A C 1 ATOM 1266 O O . SER A 1 154 ? 21.103 2.322 3.432 1.00 19.74 ? 154 SER A O 1 ATOM 1267 C CB . SER A 1 154 ? 19.673 -0.644 3.481 1.00 19.17 ? 154 SER A CB 1 ATOM 1268 O OG . SER A 1 154 ? 19.026 0.112 2.470 1.00 19.56 ? 154 SER A OG 1 ATOM 1269 N N . ALA A 1 155 ? 22.350 0.477 2.937 1.00 18.76 ? 155 ALA A N 1 ATOM 1270 C CA . ALA A 1 155 ? 23.281 1.161 2.042 1.00 17.95 ? 155 ALA A CA 1 ATOM 1271 C C . ALA A 1 155 ? 23.691 0.304 0.868 1.00 17.88 ? 155 ALA A C 1 ATOM 1272 O O . ALA A 1 155 ? 23.830 -0.920 0.973 1.00 18.00 ? 155 ALA A O 1 ATOM 1273 C CB . ALA A 1 155 ? 24.513 1.595 2.800 1.00 18.19 ? 155 ALA A CB 1 ATOM 1274 N N . ALA A 1 156 ? 23.887 0.971 -0.261 1.00 18.11 ? 156 ALA A N 1 ATOM 1275 C CA . ALA A 1 156 ? 24.347 0.322 -1.480 1.00 18.28 ? 156 ALA A CA 1 ATOM 1276 C C . ALA A 1 156 ? 25.851 0.480 -1.454 1.00 17.99 ? 156 ALA A C 1 ATOM 1277 O O . ALA A 1 156 ? 26.340 1.567 -1.279 1.00 17.96 ? 156 ALA A O 1 ATOM 1278 C CB . ALA A 1 156 ? 23.728 0.957 -2.737 1.00 17.63 ? 156 ALA A CB 1 ATOM 1279 N N . VAL A 1 157 ? 26.566 -0.632 -1.554 1.00 19.05 ? 157 VAL A N 1 ATOM 1280 C CA . VAL A 1 157 ? 28.020 -0.640 -1.479 1.00 19.60 ? 157 VAL A CA 1 ATOM 1281 C C . VAL A 1 157 ? 28.667 -1.328 -2.684 1.00 20.79 ? 157 VAL A C 1 ATOM 1282 O O . VAL A 1 157 ? 28.338 -2.432 -3.140 1.00 18.44 ? 157 VAL A O 1 ATOM 1283 C CB . VAL A 1 157 ? 28.541 -1.268 -0.181 1.00 19.16 ? 157 VAL A CB 1 ATOM 1284 C CG1 . VAL A 1 157 ? 30.058 -1.322 -0.186 1.00 19.10 ? 157 VAL A CG1 1 ATOM 1285 C CG2 . VAL A 1 157 ? 28.055 -0.461 1.013 1.00 19.36 ? 157 VAL A CG2 1 ATOM 1286 N N . THR A 1 158 ? 29.621 -0.592 -3.183 1.00 23.34 ? 158 THR A N 1 ATOM 1287 C CA . THR A 1 158 ? 30.418 -1.000 -4.287 1.00 25.76 ? 158 THR A CA 1 ATOM 1288 C C . THR A 1 158 ? 31.248 -2.236 -3.952 1.00 25.01 ? 158 THR A C 1 ATOM 1289 O O . THR A 1 158 ? 31.762 -2.349 -2.855 1.00 25.49 ? 158 THR A O 1 ATOM 1290 C CB . THR A 1 158 ? 31.359 0.136 -4.624 1.00 28.32 ? 158 THR A CB 1 ATOM 1291 O OG1 . THR A 1 158 ? 32.683 -0.388 -4.660 1.00 34.31 ? 158 THR A OG1 1 ATOM 1292 C CG2 . THR A 1 158 ? 31.316 1.250 -3.551 1.00 28.79 ? 158 THR A CG2 1 ATOM 1293 N N . ALA A 1 159 ? 31.399 -3.148 -4.902 1.00 25.45 ? 159 ALA A N 1 ATOM 1294 C CA . ALA A 1 159 ? 32.058 -4.441 -4.633 1.00 26.13 ? 159 ALA A CA 1 ATOM 1295 C C . ALA A 1 159 ? 33.521 -4.487 -5.082 1.00 25.88 ? 159 ALA A C 1 ATOM 1296 O O . ALA A 1 159 ? 34.162 -5.531 -5.004 1.00 25.91 ? 159 ALA A O 1 ATOM 1297 C CB . ALA A 1 159 ? 31.278 -5.570 -5.305 1.00 26.36 ? 159 ALA A CB 1 ATOM 1298 N N . GLY A 1 160 ? 34.020 -3.355 -5.577 1.00 26.67 ? 160 GLY A N 1 ATOM 1299 C CA . GLY A 1 160 ? 35.403 -3.208 -6.006 1.00 25.96 ? 160 GLY A CA 1 ATOM 1300 C C . GLY A 1 160 ? 36.240 -2.828 -4.802 1.00 26.88 ? 160 GLY A C 1 ATOM 1301 O O . GLY A 1 160 ? 35.923 -1.860 -4.061 1.00 26.31 ? 160 GLY A O 1 ATOM 1302 N N . LYS A 1 161 ? 37.289 -3.624 -4.603 1.00 27.01 ? 161 LYS A N 1 ATOM 1303 C CA . LYS A 1 161 ? 38.229 -3.482 -3.514 1.00 27.88 ? 161 LYS A CA 1 ATOM 1304 C C . LYS A 1 161 ? 38.781 -2.058 -3.393 1.00 26.83 ? 161 LYS A C 1 ATOM 1305 O O . LYS A 1 161 ? 38.816 -1.464 -2.303 1.00 24.96 ? 161 LYS A O 1 ATOM 1306 C CB . LYS A 1 161 ? 39.378 -4.472 -3.739 1.00 31.23 ? 161 LYS A CB 1 ATOM 1307 C CG . LYS A 1 161 ? 40.269 -4.651 -2.527 1.00 34.77 ? 161 LYS A CG 1 ATOM 1308 C CD . LYS A 1 161 ? 41.641 -5.180 -2.913 1.00 36.81 ? 161 LYS A CD 1 ATOM 1309 C CE . LYS A 1 161 ? 42.368 -5.704 -1.679 1.00 38.31 ? 161 LYS A CE 1 ATOM 1310 N NZ . LYS A 1 161 ? 42.495 -4.687 -0.602 1.00 39.21 ? 161 LYS A NZ 1 ATOM 1311 N N . ILE A 1 162 ? 39.228 -1.504 -4.508 1.00 26.21 ? 162 ILE A N 1 ATOM 1312 C CA . ILE A 1 162 ? 39.801 -0.178 -4.445 1.00 28.20 ? 162 ILE A CA 1 ATOM 1313 C C . ILE A 1 162 ? 38.787 0.797 -3.835 1.00 27.44 ? 162 ILE A C 1 ATOM 1314 O O . ILE A 1 162 ? 39.133 1.598 -2.951 1.00 27.40 ? 162 ILE A O 1 ATOM 1315 C CB . ILE A 1 162 ? 40.312 0.278 -5.828 1.00 29.87 ? 162 ILE A CB 1 ATOM 1316 C CG1 . ILE A 1 162 ? 41.654 -0.411 -6.122 1.00 30.49 ? 162 ILE A CG1 1 ATOM 1317 C CG2 . ILE A 1 162 ? 40.512 1.791 -5.886 1.00 28.88 ? 162 ILE A CG2 1 ATOM 1318 C CD1 . ILE A 1 162 ? 41.978 -0.499 -7.600 1.00 30.99 ? 162 ILE A CD1 1 ATOM 1319 N N . ALA A 1 163 ? 37.538 0.692 -4.287 1.00 26.24 ? 163 ALA A N 1 ATOM 1320 C CA . ALA A 1 163 ? 36.455 1.595 -3.862 1.00 24.95 ? 163 ALA A CA 1 ATOM 1321 C C . ALA A 1 163 ? 36.051 1.406 -2.391 1.00 24.88 ? 163 ALA A C 1 ATOM 1322 O O . ALA A 1 163 ? 35.733 2.366 -1.667 1.00 21.91 ? 163 ALA A O 1 ATOM 1323 C CB . ALA A 1 163 ? 35.246 1.389 -4.769 1.00 24.35 ? 163 ALA A CB 1 ATOM 1324 N N . ILE A 1 164 ? 36.026 0.149 -1.967 1.00 24.89 ? 164 ILE A N 1 ATOM 1325 C CA . ILE A 1 164 ? 35.709 -0.155 -0.590 1.00 26.07 ? 164 ILE A CA 1 ATOM 1326 C C . ILE A 1 164 ? 36.758 0.412 0.360 1.00 27.06 ? 164 ILE A C 1 ATOM 1327 O O . ILE A 1 164 ? 36.418 1.052 1.359 1.00 25.56 ? 164 ILE A O 1 ATOM 1328 C CB . ILE A 1 164 ? 35.593 -1.666 -0.382 1.00 26.08 ? 164 ILE A CB 1 ATOM 1329 C CG1 . ILE A 1 164 ? 34.342 -2.180 -1.086 1.00 24.96 ? 164 ILE A CG1 1 ATOM 1330 C CG2 . ILE A 1 164 ? 35.533 -2.008 1.109 1.00 26.48 ? 164 ILE A CG2 1 ATOM 1331 C CD1 . ILE A 1 164 ? 34.316 -3.683 -1.191 1.00 24.98 ? 164 ILE A CD1 1 ATOM 1332 N N . ASP A 1 165 ? 38.026 0.168 0.045 1.00 29.59 ? 165 ASP A N 1 ATOM 1333 C CA . ASP A 1 165 ? 39.141 0.741 0.820 1.00 32.02 ? 165 ASP A CA 1 ATOM 1334 C C . ASP A 1 165 ? 39.165 2.262 0.835 1.00 30.71 ? 165 ASP A C 1 ATOM 1335 O O . ASP A 1 165 ? 39.476 2.860 1.846 1.00 30.47 ? 165 ASP A O 1 ATOM 1336 C CB . ASP A 1 165 ? 40.490 0.224 0.298 1.00 33.72 ? 165 ASP A CB 1 ATOM 1337 C CG . ASP A 1 165 ? 40.693 -1.240 0.594 1.00 34.37 ? 165 ASP A CG 1 ATOM 1338 O OD1 . ASP A 1 165 ? 40.096 -1.734 1.589 1.00 32.09 ? 165 ASP A OD1 1 ATOM 1339 O OD2 . ASP A 1 165 ? 41.416 -1.888 -0.189 1.00 35.33 ? 165 ASP A OD2 1 ATOM 1340 N N . ARG A 1 166 ? 38.832 2.881 -0.286 1.00 32.01 ? 166 ARG A N 1 ATOM 1341 C CA . ARG A 1 166 ? 38.819 4.348 -0.395 1.00 33.15 ? 166 ARG A CA 1 ATOM 1342 C C . ARG A 1 166 ? 37.713 4.969 0.468 1.00 30.98 ? 166 ARG A C 1 ATOM 1343 O O . ARG A 1 166 ? 37.969 5.867 1.260 1.00 32.08 ? 166 ARG A O 1 ATOM 1344 C CB . ARG A 1 166 ? 38.614 4.746 -1.865 1.00 36.40 ? 166 ARG A CB 1 ATOM 1345 C CG . ARG A 1 166 ? 39.417 5.942 -2.334 1.00 41.47 ? 166 ARG A CG 1 ATOM 1346 C CD . ARG A 1 166 ? 38.808 6.589 -3.584 1.00 45.46 ? 166 ARG A CD 1 ATOM 1347 N NE . ARG A 1 166 ? 39.159 5.902 -4.844 1.00 48.44 ? 166 ARG A NE 1 ATOM 1348 C CZ . ARG A 1 166 ? 38.306 5.292 -5.684 1.00 47.80 ? 166 ARG A CZ 1 ATOM 1349 N NH1 . ARG A 1 166 ? 36.993 5.238 -5.439 1.00 46.65 ? 166 ARG A NH1 1 ATOM 1350 N NH2 . ARG A 1 166 ? 38.777 4.726 -6.795 1.00 45.13 ? 166 ARG A NH2 1 ATOM 1351 N N . GLY A 1 167 ? 36.492 4.446 0.343 1.00 28.47 ? 167 GLY A N 1 ATOM 1352 C CA . GLY A 1 167 ? 35.291 5.165 0.770 1.00 27.32 ? 167 GLY A CA 1 ATOM 1353 C C . GLY A 1 167 ? 34.448 4.634 1.919 1.00 26.41 ? 167 GLY A C 1 ATOM 1354 O O . GLY A 1 167 ? 33.542 5.332 2.351 1.00 25.18 ? 167 GLY A O 1 ATOM 1355 N N . TYR A 1 168 ? 34.739 3.428 2.426 1.00 26.15 ? 168 TYR A N 1 ATOM 1356 C CA . TYR A 1 168 ? 33.874 2.752 3.423 1.00 25.23 ? 168 TYR A CA 1 ATOM 1357 C C . TYR A 1 168 ? 34.607 2.189 4.661 1.00 25.80 ? 168 TYR A C 1 ATOM 1358 O O . TYR A 1 168 ? 35.566 1.435 4.543 1.00 25.23 ? 168 TYR A O 1 ATOM 1359 C CB . TYR A 1 168 ? 33.071 1.639 2.739 1.00 23.96 ? 168 TYR A CB 1 ATOM 1360 C CG . TYR A 1 168 ? 32.257 2.137 1.556 1.00 23.83 ? 168 TYR A CG 1 ATOM 1361 C CD1 . TYR A 1 168 ? 30.902 2.442 1.692 1.00 24.23 ? 168 TYR A CD1 1 ATOM 1362 C CD2 . TYR A 1 168 ? 32.846 2.330 0.305 1.00 23.83 ? 168 TYR A CD2 1 ATOM 1363 C CE1 . TYR A 1 168 ? 30.151 2.925 0.612 1.00 24.60 ? 168 TYR A CE1 1 ATOM 1364 C CE2 . TYR A 1 168 ? 32.112 2.820 -0.779 1.00 24.30 ? 168 TYR A CE2 1 ATOM 1365 C CZ . TYR A 1 168 ? 30.763 3.117 -0.625 1.00 24.49 ? 168 TYR A CZ 1 ATOM 1366 O OH . TYR A 1 168 ? 30.024 3.578 -1.688 1.00 23.56 ? 168 TYR A OH 1 ATOM 1367 N N . ASP A 1 169 ? 34.139 2.577 5.845 1.00 26.48 ? 169 ASP A N 1 ATOM 1368 C CA . ASP A 1 169 ? 34.519 1.926 7.084 1.00 27.06 ? 169 ASP A CA 1 ATOM 1369 C C . ASP A 1 169 ? 33.393 0.930 7.230 1.00 25.15 ? 169 ASP A C 1 ATOM 1370 O O . ASP A 1 169 ? 32.353 1.233 7.795 1.00 23.30 ? 169 ASP A O 1 ATOM 1371 C CB . ASP A 1 169 ? 34.577 2.920 8.250 1.00 29.88 ? 169 ASP A CB 1 ATOM 1372 C CG . ASP A 1 169 ? 35.246 2.330 9.495 1.00 32.57 ? 169 ASP A CG 1 ATOM 1373 O OD1 . ASP A 1 169 ? 35.480 1.099 9.528 1.00 34.97 ? 169 ASP A OD1 1 ATOM 1374 O OD2 . ASP A 1 169 ? 35.562 3.096 10.434 1.00 33.79 ? 169 ASP A OD2 1 ATOM 1375 N N . ILE A 1 170 ? 33.615 -0.265 6.705 1.00 24.52 ? 170 ILE A N 1 ATOM 1376 C CA . ILE A 1 170 ? 32.637 -1.361 6.777 1.00 24.11 ? 170 ILE A CA 1 ATOM 1377 C C . ILE A 1 170 ? 32.315 -1.800 8.202 1.00 24.15 ? 170 ILE A C 1 ATOM 1378 O O . ILE A 1 170 ? 31.163 -1.925 8.573 1.00 23.31 ? 170 ILE A O 1 ATOM 1379 C CB . ILE A 1 170 ? 33.173 -2.587 6.022 1.00 24.36 ? 170 ILE A CB 1 ATOM 1380 C CG1 . ILE A 1 170 ? 33.290 -2.290 4.532 1.00 24.80 ? 170 ILE A CG1 1 ATOM 1381 C CG2 . ILE A 1 170 ? 32.293 -3.806 6.231 1.00 25.63 ? 170 ILE A CG2 1 ATOM 1382 C CD1 . ILE A 1 170 ? 32.015 -1.793 3.874 1.00 24.62 ? 170 ILE A CD1 1 ATOM 1383 N N . ALA A 1 171 ? 33.350 -2.048 8.990 1.00 25.57 ? 171 ALA A N 1 ATOM 1384 C CA . ALA A 1 171 ? 33.184 -2.482 10.381 1.00 26.78 ? 171 ALA A CA 1 ATOM 1385 C C . ALA A 1 171 ? 32.267 -1.593 11.188 1.00 26.63 ? 171 ALA A C 1 ATOM 1386 O O . ALA A 1 171 ? 31.457 -2.061 11.974 1.00 27.73 ? 171 ALA A O 1 ATOM 1387 C CB . ALA A 1 171 ? 34.524 -2.547 11.057 1.00 27.02 ? 171 ALA A CB 1 ATOM 1388 N N . GLN A 1 172 ? 32.404 -0.301 10.981 1.00 27.86 ? 172 GLN A N 1 ATOM 1389 C CA . GLN A 1 172 ? 31.650 0.670 11.742 1.00 28.45 ? 172 GLN A CA 1 ATOM 1390 C C . GLN A 1 172 ? 30.223 0.787 11.232 1.00 26.88 ? 172 GLN A C 1 ATOM 1391 O O . GLN A 1 172 ? 29.275 0.685 12.002 1.00 25.47 ? 172 GLN A O 1 ATOM 1392 C CB . GLN A 1 172 ? 32.372 2.005 11.669 1.00 30.04 ? 172 GLN A CB 1 ATOM 1393 C CG . GLN A 1 172 ? 33.648 2.018 12.477 1.00 32.21 ? 172 GLN A CG 1 ATOM 1394 C CD . GLN A 1 172 ? 33.388 2.394 13.910 1.00 35.47 ? 172 GLN A CD 1 ATOM 1395 O OE1 . GLN A 1 172 ? 33.407 1.560 14.813 1.00 36.11 ? 172 GLN A OE1 1 ATOM 1396 N NE2 . GLN A 1 172 ? 33.109 3.669 14.123 1.00 40.68 ? 172 GLN A NE2 1 ATOM 1397 N N . ILE A 1 173 ? 30.077 0.976 9.926 1.00 26.55 ? 173 ILE A N 1 ATOM 1398 C CA . ILE A 1 173 ? 28.760 1.211 9.358 1.00 26.18 ? 173 ILE A CA 1 ATOM 1399 C C . ILE A 1 173 ? 27.865 -0.021 9.495 1.00 25.59 ? 173 ILE A C 1 ATOM 1400 O O . ILE A 1 173 ? 26.668 0.112 9.736 1.00 24.73 ? 173 ILE A O 1 ATOM 1401 C CB . ILE A 1 173 ? 28.811 1.785 7.919 1.00 25.30 ? 173 ILE A CB 1 ATOM 1402 C CG1 . ILE A 1 173 ? 29.413 0.813 6.917 1.00 24.76 ? 173 ILE A CG1 1 ATOM 1403 C CG2 . ILE A 1 173 ? 29.595 3.084 7.919 1.00 25.62 ? 173 ILE A CG2 1 ATOM 1404 C CD1 . ILE A 1 173 ? 29.408 1.366 5.499 1.00 23.99 ? 173 ILE A CD1 1 ATOM 1405 N N . SER A 1 174 ? 28.450 -1.204 9.412 1.00 25.97 ? 174 SER A N 1 ATOM 1406 C CA . SER A 1 174 ? 27.700 -2.424 9.655 1.00 27.07 ? 174 SER A CA 1 ATOM 1407 C C . SER A 1 174 ? 26.903 -2.426 10.936 1.00 29.86 ? 174 SER A C 1 ATOM 1408 O O . SER A 1 174 ? 25.845 -3.054 10.967 1.00 30.51 ? 174 SER A O 1 ATOM 1409 C CB . SER A 1 174 ? 28.616 -3.609 9.697 1.00 27.60 ? 174 SER A CB 1 ATOM 1410 O OG . SER A 1 174 ? 29.095 -3.860 8.396 1.00 29.49 ? 174 SER A OG 1 ATOM 1411 N N . ARG A 1 175 ? 27.373 -1.739 11.985 1.00 32.86 ? 175 ARG A N 1 ATOM 1412 C CA . ARG A 1 175 ? 26.628 -1.709 13.269 1.00 34.94 ? 175 ARG A CA 1 ATOM 1413 C C . ARG A 1 175 ? 25.314 -0.950 13.128 1.00 31.71 ? 175 ARG A C 1 ATOM 1414 O O . ARG A 1 175 ? 24.282 -1.407 13.554 1.00 31.89 ? 175 ARG A O 1 ATOM 1415 C CB . ARG A 1 175 ? 27.439 -1.102 14.421 1.00 40.43 ? 175 ARG A CB 1 ATOM 1416 C CG . ARG A 1 175 ? 28.881 -1.581 14.508 1.00 48.55 ? 175 ARG A CG 1 ATOM 1417 C CD . ARG A 1 175 ? 29.559 -1.277 15.853 1.00 55.51 ? 175 ARG A CD 1 ATOM 1418 N NE . ARG A 1 175 ? 29.143 -0.020 16.507 1.00 59.83 ? 175 ARG A NE 1 ATOM 1419 C CZ . ARG A 1 175 ? 29.727 1.181 16.366 1.00 63.78 ? 175 ARG A CZ 1 ATOM 1420 N NH1 . ARG A 1 175 ? 30.773 1.383 15.553 1.00 60.31 ? 175 ARG A NH1 1 ATOM 1421 N NH2 . ARG A 1 175 ? 29.237 2.215 17.045 1.00 65.86 ? 175 ARG A NH2 1 ATOM 1422 N N . HIS A 1 176 ? 25.342 0.206 12.501 1.00 31.04 ? 176 HIS A N 1 ATOM 1423 C CA . HIS A 1 176 ? 24.139 1.025 12.431 1.00 31.06 ? 176 HIS A CA 1 ATOM 1424 C C . HIS A 1 176 ? 23.231 0.649 11.276 1.00 29.94 ? 176 HIS A C 1 ATOM 1425 O O . HIS A 1 176 ? 22.112 1.096 11.258 1.00 31.01 ? 176 HIS A O 1 ATOM 1426 C CB . HIS A 1 176 ? 24.521 2.491 12.317 1.00 31.46 ? 176 HIS A CB 1 ATOM 1427 C CG . HIS A 1 176 ? 25.562 2.884 13.292 1.00 33.23 ? 176 HIS A CG 1 ATOM 1428 N ND1 . HIS A 1 176 ? 25.338 2.859 14.650 1.00 35.03 ? 176 HIS A ND1 1 ATOM 1429 C CD2 . HIS A 1 176 ? 26.859 3.224 13.127 1.00 36.38 ? 176 HIS A CD2 1 ATOM 1430 C CE1 . HIS A 1 176 ? 26.447 3.198 15.283 1.00 35.90 ? 176 HIS A CE1 1 ATOM 1431 N NE2 . HIS A 1 176 ? 27.388 3.420 14.382 1.00 37.64 ? 176 HIS A NE2 1 ATOM 1432 N N . LEU A 1 177 ? 23.718 -0.150 10.325 1.00 28.62 ? 177 LEU A N 1 ATOM 1433 C CA . LEU A 1 177 ? 22.978 -0.514 9.106 1.00 28.39 ? 177 LEU A CA 1 ATOM 1434 C C . LEU A 1 177 ? 22.176 -1.831 9.219 1.00 28.43 ? 177 LEU A C 1 ATOM 1435 O O . LEU A 1 177 ? 22.686 -2.821 9.715 1.00 29.49 ? 177 LEU A O 1 ATOM 1436 C CB . LEU A 1 177 ? 23.961 -0.648 7.930 1.00 26.88 ? 177 LEU A CB 1 ATOM 1437 C CG . LEU A 1 177 ? 24.417 0.622 7.240 1.00 24.99 ? 177 LEU A CG 1 ATOM 1438 C CD1 . LEU A 1 177 ? 25.333 0.246 6.103 1.00 24.35 ? 177 LEU A CD1 1 ATOM 1439 C CD2 . LEU A 1 177 ? 23.243 1.391 6.699 1.00 24.55 ? 177 LEU A CD2 1 ATOM 1440 N N . ASP A 1 178 ? 20.940 -1.848 8.720 1.00 29.05 ? 178 ASP A N 1 ATOM 1441 C CA . ASP A 1 178 ? 20.067 -3.058 8.808 1.00 28.78 ? 178 ASP A CA 1 ATOM 1442 C C . ASP A 1 178 ? 20.420 -4.137 7.808 1.00 25.80 ? 178 ASP A C 1 ATOM 1443 O O . ASP A 1 178 ? 20.173 -5.299 8.055 1.00 25.26 ? 178 ASP A O 1 ATOM 1444 C CB . ASP A 1 178 ? 18.584 -2.686 8.678 1.00 30.23 ? 178 ASP A CB 1 ATOM 1445 C CG . ASP A 1 178 ? 18.045 -2.038 9.952 1.00 31.99 ? 178 ASP A CG 1 ATOM 1446 O OD1 . ASP A 1 178 ? 17.920 -2.750 10.969 1.00 31.63 ? 178 ASP A OD1 1 ATOM 1447 O OD2 . ASP A 1 178 ? 17.763 -0.819 9.938 1.00 35.38 ? 178 ASP A OD2 1 ATOM 1448 N N . PHE A 1 179 ? 20.981 -3.721 6.679 1.00 24.54 ? 179 PHE A N 1 ATOM 1449 C CA . PHE A 1 179 ? 21.695 -4.587 5.771 1.00 21.91 ? 179 PHE A CA 1 ATOM 1450 C C . PHE A 1 179 ? 22.434 -3.727 4.766 1.00 20.79 ? 179 PHE A C 1 ATOM 1451 O O . PHE A 1 179 ? 22.126 -2.544 4.591 1.00 18.92 ? 179 PHE A O 1 ATOM 1452 C CB . PHE A 1 179 ? 20.743 -5.488 5.017 1.00 22.72 ? 179 PHE A CB 1 ATOM 1453 C CG . PHE A 1 179 ? 19.767 -4.738 4.159 1.00 23.91 ? 179 PHE A CG 1 ATOM 1454 C CD1 . PHE A 1 179 ? 18.570 -4.271 4.691 1.00 24.20 ? 179 PHE A CD1 1 ATOM 1455 C CD2 . PHE A 1 179 ? 20.045 -4.479 2.827 1.00 24.30 ? 179 PHE A CD2 1 ATOM 1456 C CE1 . PHE A 1 179 ? 17.677 -3.567 3.913 1.00 23.29 ? 179 PHE A CE1 1 ATOM 1457 C CE2 . PHE A 1 179 ? 19.150 -3.768 2.055 1.00 23.80 ? 179 PHE A CE2 1 ATOM 1458 C CZ . PHE A 1 179 ? 17.974 -3.316 2.598 1.00 23.43 ? 179 PHE A CZ 1 ATOM 1459 N N . ILE A 1 180 ? 23.403 -4.342 4.112 1.00 21.02 ? 180 ILE A N 1 ATOM 1460 C CA . ILE A 1 180 ? 24.230 -3.749 3.074 1.00 21.16 ? 180 ILE A CA 1 ATOM 1461 C C . ILE A 1 180 ? 24.131 -4.500 1.780 1.00 20.66 ? 180 ILE A C 1 ATOM 1462 O O . ILE A 1 180 ? 24.403 -5.640 1.752 1.00 19.59 ? 180 ILE A O 1 ATOM 1463 C CB . ILE A 1 180 ? 25.704 -3.834 3.423 1.00 22.42 ? 180 ILE A CB 1 ATOM 1464 C CG1 . ILE A 1 180 ? 25.934 -3.614 4.901 1.00 23.22 ? 180 ILE A CG1 1 ATOM 1465 C CG2 . ILE A 1 180 ? 26.484 -2.879 2.563 1.00 23.08 ? 180 ILE A CG2 1 ATOM 1466 C CD1 . ILE A 1 180 ? 27.286 -3.076 5.289 1.00 23.47 ? 180 ILE A CD1 1 ATOM 1467 N N . SER A 1 181 ? 23.769 -3.826 0.706 1.00 20.60 ? 181 SER A N 1 ATOM 1468 C CA . SER A 1 181 ? 23.662 -4.467 -0.586 1.00 21.29 ? 181 SER A CA 1 ATOM 1469 C C . SER A 1 181 ? 24.961 -4.290 -1.337 1.00 21.03 ? 181 SER A C 1 ATOM 1470 O O . SER A 1 181 ? 25.289 -3.186 -1.767 1.00 21.58 ? 181 SER A O 1 ATOM 1471 C CB . SER A 1 181 ? 22.527 -3.846 -1.406 1.00 23.42 ? 181 SER A CB 1 ATOM 1472 O OG . SER A 1 181 ? 21.398 -3.514 -0.612 1.00 25.01 ? 181 SER A OG 1 ATOM 1473 N N . LEU A 1 182 ? 25.686 -5.384 -1.525 1.00 20.83 ? 182 LEU A N 1 ATOM 1474 C CA . LEU A 1 182 ? 27.017 -5.387 -2.171 1.00 19.85 ? 182 LEU A CA 1 ATOM 1475 C C . LEU A 1 182 ? 26.823 -5.427 -3.688 1.00 20.21 ? 182 LEU A C 1 ATOM 1476 O O . LEU A 1 182 ? 26.191 -6.349 -4.184 1.00 19.99 ? 182 LEU A O 1 ATOM 1477 C CB . LEU A 1 182 ? 27.768 -6.641 -1.742 1.00 19.33 ? 182 LEU A CB 1 ATOM 1478 C CG . LEU A 1 182 ? 29.213 -6.599 -1.259 1.00 19.46 ? 182 LEU A CG 1 ATOM 1479 C CD1 . LEU A 1 182 ? 29.868 -7.959 -1.555 1.00 18.91 ? 182 LEU A CD1 1 ATOM 1480 C CD2 . LEU A 1 182 ? 30.029 -5.437 -1.828 1.00 19.21 ? 182 LEU A CD2 1 ATOM 1481 N N . LEU A 1 183 ? 27.365 -4.450 -4.424 1.00 20.73 ? 183 LEU A N 1 ATOM 1482 C CA . LEU A 1 183 ? 27.073 -4.277 -5.870 1.00 19.95 ? 183 LEU A CA 1 ATOM 1483 C C . LEU A 1 183 ? 28.008 -5.140 -6.701 1.00 20.45 ? 183 LEU A C 1 ATOM 1484 O O . LEU A 1 183 ? 28.907 -4.612 -7.391 1.00 20.64 ? 183 LEU A O 1 ATOM 1485 C CB . LEU A 1 183 ? 27.280 -2.826 -6.252 1.00 19.79 ? 183 LEU A CB 1 ATOM 1486 C CG . LEU A 1 183 ? 26.384 -1.855 -5.485 1.00 20.07 ? 183 LEU A CG 1 ATOM 1487 C CD1 . LEU A 1 183 ? 26.617 -0.446 -5.978 1.00 19.72 ? 183 LEU A CD1 1 ATOM 1488 C CD2 . LEU A 1 183 ? 24.915 -2.205 -5.602 1.00 19.79 ? 183 LEU A CD2 1 ATOM 1489 N N . THR A 1 184 ? 27.807 -6.453 -6.621 1.00 19.95 ? 184 THR A N 1 ATOM 1490 C CA . THR A 1 184 ? 28.635 -7.412 -7.338 1.00 20.52 ? 184 THR A CA 1 ATOM 1491 C C . THR A 1 184 ? 28.149 -7.637 -8.765 1.00 21.31 ? 184 THR A C 1 ATOM 1492 O O . THR A 1 184 ? 27.618 -8.698 -9.095 1.00 21.69 ? 184 THR A O 1 ATOM 1493 C CB . THR A 1 184 ? 28.687 -8.767 -6.607 1.00 21.26 ? 184 THR A CB 1 ATOM 1494 O OG1 . THR A 1 184 ? 27.409 -9.047 -6.023 1.00 20.69 ? 184 THR A OG1 1 ATOM 1495 C CG2 . THR A 1 184 ? 29.745 -8.743 -5.515 1.00 21.34 ? 184 THR A CG2 1 ATOM 1496 N N . TYR A 1 185 ? 28.217 -6.577 -9.575 1.00 21.47 ? 185 TYR A N 1 ATOM 1497 C CA . TYR A 1 185 ? 27.973 -6.662 -11.019 1.00 22.54 ? 185 TYR A CA 1 ATOM 1498 C C . TYR A 1 185 ? 28.836 -5.740 -11.909 1.00 24.04 ? 185 TYR A C 1 ATOM 1499 O O . TYR A 1 185 ? 28.588 -5.637 -13.110 1.00 21.52 ? 185 TYR A O 1 ATOM 1500 C CB . TYR A 1 185 ? 26.490 -6.428 -11.319 1.00 23.24 ? 185 TYR A CB 1 ATOM 1501 C CG . TYR A 1 185 ? 25.804 -5.506 -10.337 1.00 22.97 ? 185 TYR A CG 1 ATOM 1502 C CD1 . TYR A 1 185 ? 25.864 -4.127 -10.490 1.00 22.07 ? 185 TYR A CD1 1 ATOM 1503 C CD2 . TYR A 1 185 ? 25.097 -6.014 -9.255 1.00 23.31 ? 185 TYR A CD2 1 ATOM 1504 C CE1 . TYR A 1 185 ? 25.238 -3.281 -9.595 1.00 22.33 ? 185 TYR A CE1 1 ATOM 1505 C CE2 . TYR A 1 185 ? 24.468 -5.175 -8.354 1.00 23.88 ? 185 TYR A CE2 1 ATOM 1506 C CZ . TYR A 1 185 ? 24.542 -3.810 -8.529 1.00 22.87 ? 185 TYR A CZ 1 ATOM 1507 O OH . TYR A 1 185 ? 23.918 -2.971 -7.634 1.00 24.23 ? 185 TYR A OH 1 ATOM 1508 N N . ASP A 1 186 ? 29.826 -5.065 -11.328 1.00 26.27 ? 186 ASP A N 1 ATOM 1509 C CA . ASP A 1 186 ? 30.573 -4.005 -12.028 1.00 28.06 ? 186 ASP A CA 1 ATOM 1510 C C . ASP A 1 186 ? 32.032 -4.328 -12.371 1.00 27.98 ? 186 ASP A C 1 ATOM 1511 O O . ASP A 1 186 ? 32.835 -3.429 -12.622 1.00 27.50 ? 186 ASP A O 1 ATOM 1512 C CB . ASP A 1 186 ? 30.507 -2.699 -11.231 1.00 30.70 ? 186 ASP A CB 1 ATOM 1513 C CG . ASP A 1 186 ? 30.725 -1.475 -12.099 1.00 33.64 ? 186 ASP A CG 1 ATOM 1514 O OD1 . ASP A 1 186 ? 30.234 -1.464 -13.247 1.00 35.74 ? 186 ASP A OD1 1 ATOM 1515 O OD2 . ASP A 1 186 ? 31.387 -0.524 -11.633 1.00 36.45 ? 186 ASP A OD2 1 ATOM 1516 N N . PHE A 1 187 ? 32.364 -5.610 -12.356 1.00 28.30 ? 187 PHE A N 1 ATOM 1517 C CA . PHE A 1 187 ? 33.730 -6.101 -12.235 1.00 27.82 ? 187 PHE A CA 1 ATOM 1518 C C . PHE A 1 187 ? 34.457 -5.982 -13.555 1.00 31.56 ? 187 PHE A C 1 ATOM 1519 O O . PHE A 1 187 ? 35.521 -6.561 -13.744 1.00 33.23 ? 187 PHE A O 1 ATOM 1520 C CB . PHE A 1 187 ? 33.729 -7.555 -11.779 1.00 25.65 ? 187 PHE A CB 1 ATOM 1521 C CG . PHE A 1 187 ? 33.436 -7.730 -10.326 1.00 23.24 ? 187 PHE A CG 1 ATOM 1522 C CD1 . PHE A 1 187 ? 34.223 -7.113 -9.380 1.00 22.28 ? 187 PHE A CD1 1 ATOM 1523 C CD2 . PHE A 1 187 ? 32.383 -8.525 -9.906 1.00 22.10 ? 187 PHE A CD2 1 ATOM 1524 C CE1 . PHE A 1 187 ? 33.973 -7.275 -8.037 1.00 21.96 ? 187 PHE A CE1 1 ATOM 1525 C CE2 . PHE A 1 187 ? 32.128 -8.694 -8.561 1.00 21.70 ? 187 PHE A CE2 1 ATOM 1526 C CZ . PHE A 1 187 ? 32.931 -8.076 -7.624 1.00 21.63 ? 187 PHE A CZ 1 ATOM 1527 N N . HIS A 1 188 ? 33.801 -5.311 -14.489 1.00 38.15 ? 188 HIS A N 1 ATOM 1528 C CA . HIS A 1 188 ? 34.375 -5.028 -15.782 1.00 40.33 ? 188 HIS A CA 1 ATOM 1529 C C . HIS A 1 188 ? 33.694 -3.806 -16.366 1.00 48.78 ? 188 HIS A C 1 ATOM 1530 O O . HIS A 1 188 ? 32.560 -3.476 -16.018 1.00 50.18 ? 188 HIS A O 1 ATOM 1531 C CB . HIS A 1 188 ? 34.204 -6.225 -16.719 1.00 37.69 ? 188 HIS A CB 1 ATOM 1532 C CG . HIS A 1 188 ? 35.096 -6.184 -17.921 1.00 35.63 ? 188 HIS A CG 1 ATOM 1533 N ND1 . HIS A 1 188 ? 34.693 -5.658 -19.129 1.00 35.23 ? 188 HIS A ND1 1 ATOM 1534 C CD2 . HIS A 1 188 ? 36.371 -6.603 -18.099 1.00 35.53 ? 188 HIS A CD2 1 ATOM 1535 C CE1 . HIS A 1 188 ? 35.681 -5.755 -20.001 1.00 35.41 ? 188 HIS A CE1 1 ATOM 1536 N NE2 . HIS A 1 188 ? 36.711 -6.325 -19.401 1.00 36.79 ? 188 HIS A NE2 1 ATOM 1537 N N . GLY A 1 189 ? 34.400 -3.148 -17.269 1.00 57.45 ? 189 GLY A N 1 ATOM 1538 C CA . GLY A 1 189 ? 33.841 -2.078 -18.092 1.00 62.28 ? 189 GLY A CA 1 ATOM 1539 C C . GLY A 1 189 ? 34.529 -1.938 -19.446 1.00 66.69 ? 189 GLY A C 1 ATOM 1540 O O . GLY A 1 189 ? 35.565 -2.571 -19.706 1.00 64.13 ? 189 GLY A O 1 ATOM 1541 N N . ALA A 1 190 ? 33.951 -1.089 -20.297 1.00 69.52 ? 190 ALA A N 1 ATOM 1542 C CA . ALA A 1 190 ? 34.481 -0.825 -21.635 1.00 75.03 ? 190 ALA A CA 1 ATOM 1543 C C . ALA A 1 190 ? 35.805 -0.036 -21.619 1.00 81.19 ? 190 ALA A C 1 ATOM 1544 O O . ALA A 1 190 ? 36.477 0.067 -22.656 1.00 84.06 ? 190 ALA A O 1 ATOM 1545 C CB . ALA A 1 190 ? 33.441 -0.107 -22.489 1.00 76.46 ? 190 ALA A CB 1 ATOM 1546 N N . TRP A 1 191 ? 36.211 0.433 -20.449 1.00 78.44 ? 191 TRP A N 1 ATOM 1547 C CA . TRP A 1 191 ? 37.510 1.056 -20.289 1.00 72.70 ? 191 TRP A CA 1 ATOM 1548 C C . TRP A 1 191 ? 38.664 0.047 -20.335 1.00 67.89 ? 191 TRP A C 1 ATOM 1549 O O . TRP A 1 191 ? 39.776 0.395 -20.613 1.00 65.17 ? 191 TRP A O 1 ATOM 1550 C CB . TRP A 1 191 ? 37.507 1.837 -19.002 1.00 76.04 ? 191 TRP A CB 1 ATOM 1551 C CG . TRP A 1 191 ? 37.605 0.963 -17.850 1.00 84.76 ? 191 TRP A CG 1 ATOM 1552 C CD1 . TRP A 1 191 ? 36.589 0.457 -17.105 1.00 85.23 ? 191 TRP A CD1 1 ATOM 1553 C CD2 . TRP A 1 191 ? 38.812 0.432 -17.305 1.00 89.45 ? 191 TRP A CD2 1 ATOM 1554 N NE1 . TRP A 1 191 ? 37.095 -0.344 -16.119 1.00 90.44 ? 191 TRP A NE1 1 ATOM 1555 C CE2 . TRP A 1 191 ? 38.462 -0.373 -16.228 1.00 89.21 ? 191 TRP A CE2 1 ATOM 1556 C CE3 . TRP A 1 191 ? 40.157 0.547 -17.646 1.00 87.23 ? 191 TRP A CE3 1 ATOM 1557 C CZ2 . TRP A 1 191 ? 39.403 -1.061 -15.497 1.00 86.57 ? 191 TRP A CZ2 1 ATOM 1558 C CZ3 . TRP A 1 191 ? 41.072 -0.127 -16.918 1.00 85.16 ? 191 TRP A CZ3 1 ATOM 1559 C CH2 . TRP A 1 191 ? 40.699 -0.921 -15.859 1.00 85.66 ? 191 TRP A CH2 1 ATOM 1560 N N . ARG A 1 192 ? 38.357 -1.218 -20.128 1.00 67.04 ? 192 ARG A N 1 ATOM 1561 C CA . ARG A 1 192 ? 39.290 -2.272 -20.396 1.00 66.50 ? 192 ARG A CA 1 ATOM 1562 C C . ARG A 1 192 ? 39.098 -2.505 -21.854 1.00 64.97 ? 192 ARG A C 1 ATOM 1563 O O . ARG A 1 192 ? 38.002 -2.388 -22.332 1.00 68.31 ? 192 ARG A O 1 ATOM 1564 C CB . ARG A 1 192 ? 38.920 -3.495 -19.605 1.00 68.67 ? 192 ARG A CB 1 ATOM 1565 C CG . ARG A 1 192 ? 39.827 -3.701 -18.419 1.00 74.29 ? 192 ARG A CG 1 ATOM 1566 C CD . ARG A 1 192 ? 39.375 -4.838 -17.533 1.00 80.06 ? 192 ARG A CD 1 ATOM 1567 N NE . ARG A 1 192 ? 39.195 -4.403 -16.155 1.00 86.78 ? 192 ARG A NE 1 ATOM 1568 C CZ . ARG A 1 192 ? 38.933 -5.211 -15.138 1.00 89.67 ? 192 ARG A CZ 1 ATOM 1569 N NH1 . ARG A 1 192 ? 38.812 -6.506 -15.333 1.00 95.05 ? 192 ARG A NH1 1 ATOM 1570 N NH2 . ARG A 1 192 ? 38.801 -4.719 -13.925 1.00 86.93 ? 192 ARG A NH2 1 ATOM 1571 N N . GLN A 1 193 ? 40.121 -2.836 -22.608 1.00 61.94 ? 193 GLN A N 1 ATOM 1572 C CA . GLN A 1 193 ? 39.961 -2.756 -24.044 1.00 57.98 ? 193 GLN A CA 1 ATOM 1573 C C . GLN A 1 193 ? 39.695 -4.053 -24.686 1.00 50.13 ? 193 GLN A C 1 ATOM 1574 O O . GLN A 1 193 ? 39.911 -4.236 -25.836 1.00 47.69 ? 193 GLN A O 1 ATOM 1575 C CB . GLN A 1 193 ? 41.112 -2.045 -24.685 1.00 62.56 ? 193 GLN A CB 1 ATOM 1576 C CG . GLN A 1 193 ? 41.293 -0.666 -24.099 1.00 68.07 ? 193 GLN A CG 1 ATOM 1577 C CD . GLN A 1 193 ? 42.462 0.025 -24.693 1.00 70.01 ? 193 GLN A CD 1 ATOM 1578 O OE1 . GLN A 1 193 ? 42.303 0.997 -25.410 1.00 68.80 ? 193 GLN A OE1 1 ATOM 1579 N NE2 . GLN A 1 193 ? 43.654 -0.483 -24.417 1.00 68.95 ? 193 GLN A NE2 1 ATOM 1580 N N . THR A 1 194 ? 39.257 -4.975 -23.877 1.00 45.34 ? 194 THR A N 1 ATOM 1581 C CA . THR A 1 194 ? 38.795 -6.266 -24.344 1.00 41.27 ? 194 THR A CA 1 ATOM 1582 C C . THR A 1 194 ? 37.452 -6.694 -23.738 1.00 36.46 ? 194 THR A C 1 ATOM 1583 O O . THR A 1 194 ? 36.846 -6.015 -22.920 1.00 35.81 ? 194 THR A O 1 ATOM 1584 C CB . THR A 1 194 ? 39.783 -7.380 -23.963 1.00 42.43 ? 194 THR A CB 1 ATOM 1585 O OG1 . THR A 1 194 ? 39.663 -7.646 -22.553 1.00 40.53 ? 194 THR A OG1 1 ATOM 1586 C CG2 . THR A 1 194 ? 41.224 -7.013 -24.356 1.00 41.75 ? 194 THR A CG2 1 ATOM 1587 N N . VAL A 1 195 ? 37.031 -7.862 -24.181 1.00 33.17 ? 195 VAL A N 1 ATOM 1588 C CA . VAL A 1 195 ? 35.892 -8.587 -23.679 1.00 32.42 ? 195 VAL A CA 1 ATOM 1589 C C . VAL A 1 195 ? 36.121 -9.059 -22.243 1.00 32.11 ? 195 VAL A C 1 ATOM 1590 O O . VAL A 1 195 ? 37.259 -9.259 -21.817 1.00 32.90 ? 195 VAL A O 1 ATOM 1591 C CB . VAL A 1 195 ? 35.663 -9.810 -24.609 1.00 32.46 ? 195 VAL A CB 1 ATOM 1592 C CG1 . VAL A 1 195 ? 35.396 -11.089 -23.838 1.00 31.91 ? 195 VAL A CG1 1 ATOM 1593 C CG2 . VAL A 1 195 ? 34.571 -9.512 -25.623 1.00 32.88 ? 195 VAL A CG2 1 ATOM 1594 N N . GLY A 1 196 ? 35.032 -9.253 -21.510 1.00 29.89 ? 196 GLY A N 1 ATOM 1595 C CA . GLY A 1 196 ? 35.100 -9.809 -20.169 1.00 28.52 ? 196 GLY A CA 1 ATOM 1596 C C . GLY A 1 196 ? 33.757 -9.721 -19.480 1.00 28.21 ? 196 GLY A C 1 ATOM 1597 O O . GLY A 1 196 ? 32.911 -8.917 -19.867 1.00 28.01 ? 196 GLY A O 1 ATOM 1598 N N . HIS A 1 197 ? 33.555 -10.562 -18.473 1.00 27.26 ? 197 HIS A N 1 ATOM 1599 C CA . HIS A 1 197 ? 32.310 -10.571 -17.720 1.00 26.06 ? 197 HIS A CA 1 ATOM 1600 C C . HIS A 1 197 ? 32.425 -9.620 -16.516 1.00 26.37 ? 197 HIS A C 1 ATOM 1601 O O . HIS A 1 197 ? 33.504 -9.410 -15.963 1.00 29.60 ? 197 HIS A O 1 ATOM 1602 C CB . HIS A 1 197 ? 31.969 -11.989 -17.279 1.00 24.81 ? 197 HIS A CB 1 ATOM 1603 C CG . HIS A 1 197 ? 30.505 -12.277 -17.266 1.00 25.11 ? 197 HIS A CG 1 ATOM 1604 N ND1 . HIS A 1 197 ? 29.658 -11.794 -16.292 1.00 26.26 ? 197 HIS A ND1 1 ATOM 1605 C CD2 . HIS A 1 197 ? 29.730 -12.998 -18.109 1.00 26.16 ? 197 HIS A CD2 1 ATOM 1606 C CE1 . HIS A 1 197 ? 28.424 -12.199 -16.536 1.00 26.91 ? 197 HIS A CE1 1 ATOM 1607 N NE2 . HIS A 1 197 ? 28.439 -12.927 -17.638 1.00 26.82 ? 197 HIS A NE2 1 ATOM 1608 N N . HIS A 1 198 ? 31.295 -9.151 -16.044 1.00 25.16 ? 198 HIS A N 1 ATOM 1609 C CA . HIS A 1 198 ? 31.203 -8.069 -15.113 1.00 25.33 ? 198 HIS A CA 1 ATOM 1610 C C . HIS A 1 198 ? 30.559 -8.480 -13.807 1.00 25.70 ? 198 HIS A C 1 ATOM 1611 O O . HIS A 1 198 ? 30.552 -7.779 -12.853 1.00 26.07 ? 198 HIS A O 1 ATOM 1612 C CB . HIS A 1 198 ? 30.380 -6.984 -15.772 1.00 24.43 ? 198 HIS A CB 1 ATOM 1613 C CG . HIS A 1 198 ? 28.982 -7.399 -16.061 1.00 24.68 ? 198 HIS A CG 1 ATOM 1614 N ND1 . HIS A 1 198 ? 28.641 -8.184 -17.130 1.00 25.03 ? 198 HIS A ND1 1 ATOM 1615 C CD2 . HIS A 1 198 ? 27.841 -7.156 -15.399 1.00 24.43 ? 198 HIS A CD2 1 ATOM 1616 C CE1 . HIS A 1 198 ? 27.351 -8.411 -17.105 1.00 25.16 ? 198 HIS A CE1 1 ATOM 1617 N NE2 . HIS A 1 198 ? 26.845 -7.794 -16.069 1.00 25.09 ? 198 HIS A NE2 1 ATOM 1618 N N . SER A 1 199 ? 29.993 -9.683 -13.804 1.00 25.73 ? 199 SER A N 1 ATOM 1619 C CA . SER A 1 199 ? 29.409 -10.251 -12.591 1.00 25.77 ? 199 SER A CA 1 ATOM 1620 C C . SER A 1 199 ? 30.028 -11.568 -12.094 1.00 24.77 ? 199 SER A C 1 ATOM 1621 O O . SER A 1 199 ? 29.427 -12.238 -11.254 1.00 24.83 ? 199 SER A O 1 ATOM 1622 C CB . SER A 1 199 ? 27.897 -10.428 -12.766 1.00 26.12 ? 199 SER A CB 1 ATOM 1623 O OG . SER A 1 199 ? 27.592 -10.985 -14.033 1.00 27.37 ? 199 SER A OG 1 ATOM 1624 N N . PRO A 1 200 ? 31.191 -11.967 -12.609 1.00 23.74 ? 200 PRO A N 1 ATOM 1625 C CA . PRO A 1 200 ? 31.626 -13.334 -12.391 1.00 24.32 ? 200 PRO A CA 1 ATOM 1626 C C . PRO A 1 200 ? 31.671 -13.682 -10.891 1.00 25.20 ? 200 PRO A C 1 ATOM 1627 O O . PRO A 1 200 ? 32.114 -12.847 -10.044 1.00 23.29 ? 200 PRO A O 1 ATOM 1628 C CB . PRO A 1 200 ? 33.032 -13.337 -12.971 1.00 24.00 ? 200 PRO A CB 1 ATOM 1629 C CG . PRO A 1 200 ? 33.506 -11.954 -12.712 1.00 23.99 ? 200 PRO A CG 1 ATOM 1630 C CD . PRO A 1 200 ? 32.311 -11.099 -12.989 1.00 23.56 ? 200 PRO A CD 1 ATOM 1631 N N . LEU A 1 201 ? 31.237 -14.909 -10.587 1.00 24.17 ? 201 LEU A N 1 ATOM 1632 C CA . LEU A 1 201 ? 31.255 -15.406 -9.226 1.00 24.41 ? 201 LEU A CA 1 ATOM 1633 C C . LEU A 1 201 ? 32.672 -15.714 -8.765 1.00 25.81 ? 201 LEU A C 1 ATOM 1634 O O . LEU A 1 201 ? 33.074 -15.341 -7.666 1.00 26.60 ? 201 LEU A O 1 ATOM 1635 C CB . LEU A 1 201 ? 30.385 -16.646 -9.106 1.00 23.84 ? 201 LEU A CB 1 ATOM 1636 C CG . LEU A 1 201 ? 30.297 -17.263 -7.717 1.00 23.69 ? 201 LEU A CG 1 ATOM 1637 C CD1 . LEU A 1 201 ? 30.006 -16.207 -6.658 1.00 24.28 ? 201 LEU A CD1 1 ATOM 1638 C CD2 . LEU A 1 201 ? 29.236 -18.351 -7.714 1.00 23.16 ? 201 LEU A CD2 1 ATOM 1639 N N . PHE A 1 202 ? 33.438 -16.391 -9.603 1.00 28.06 ? 202 PHE A N 1 ATOM 1640 C CA . PHE A 1 202 ? 34.802 -16.746 -9.240 1.00 30.74 ? 202 PHE A CA 1 ATOM 1641 C C . PHE A 1 202 ? 35.751 -16.119 -10.239 1.00 35.35 ? 202 PHE A C 1 ATOM 1642 O O . PHE A 1 202 ? 35.359 -15.856 -11.371 1.00 34.81 ? 202 PHE A O 1 ATOM 1643 C CB . PHE A 1 202 ? 34.963 -18.271 -9.193 1.00 28.51 ? 202 PHE A CB 1 ATOM 1644 C CG . PHE A 1 202 ? 34.134 -18.930 -8.132 1.00 26.57 ? 202 PHE A CG 1 ATOM 1645 C CD1 . PHE A 1 202 ? 34.475 -18.811 -6.792 1.00 26.54 ? 202 PHE A CD1 1 ATOM 1646 C CD2 . PHE A 1 202 ? 33.008 -19.675 -8.467 1.00 27.02 ? 202 PHE A CD2 1 ATOM 1647 C CE1 . PHE A 1 202 ? 33.706 -19.413 -5.801 1.00 26.86 ? 202 PHE A CE1 1 ATOM 1648 C CE2 . PHE A 1 202 ? 32.232 -20.283 -7.476 1.00 27.13 ? 202 PHE A CE2 1 ATOM 1649 C CZ . PHE A 1 202 ? 32.587 -20.154 -6.140 1.00 26.58 ? 202 PHE A CZ 1 ATOM 1650 N N . ARG A 1 203 ? 36.993 -15.965 -9.859 1.00 42.94 ? 203 ARG A N 1 ATOM 1651 C CA . ARG A 1 203 ? 37.972 -15.359 -10.707 1.00 51.48 ? 203 ARG A CA 1 ATOM 1652 C C . ARG A 1 203 ? 38.152 -16.198 -11.914 1.00 52.45 ? 203 ARG A C 1 ATOM 1653 O O . ARG A 1 203 ? 38.277 -15.744 -13.019 1.00 53.74 ? 203 ARG A O 1 ATOM 1654 C CB . ARG A 1 203 ? 39.268 -15.294 -9.948 1.00 58.68 ? 203 ARG A CB 1 ATOM 1655 C CG . ARG A 1 203 ? 40.421 -14.798 -10.759 1.00 67.56 ? 203 ARG A CG 1 ATOM 1656 C CD . ARG A 1 203 ? 41.452 -15.884 -10.935 1.00 73.30 ? 203 ARG A CD 1 ATOM 1657 N NE . ARG A 1 203 ? 42.381 -15.939 -9.831 1.00 81.27 ? 203 ARG A NE 1 ATOM 1658 C CZ . ARG A 1 203 ? 42.877 -17.070 -9.367 1.00 84.91 ? 203 ARG A CZ 1 ATOM 1659 N NH1 . ARG A 1 203 ? 42.510 -18.202 -9.941 1.00 89.91 ? 203 ARG A NH1 1 ATOM 1660 N NH2 . ARG A 1 203 ? 43.729 -17.073 -8.355 1.00 79.08 ? 203 ARG A NH2 1 ATOM 1661 N N . GLY A 1 204 ? 38.190 -17.467 -11.677 1.00 56.58 ? 204 GLY A N 1 ATOM 1662 C CA . GLY A 1 204 ? 38.327 -18.405 -12.761 1.00 66.24 ? 204 GLY A CA 1 ATOM 1663 C C . GLY A 1 204 ? 39.719 -18.421 -13.357 1.00 76.52 ? 204 GLY A C 1 ATOM 1664 O O . GLY A 1 204 ? 40.089 -17.532 -14.133 1.00 71.94 ? 204 GLY A O 1 ATOM 1665 N N . ASN A 1 205 ? 40.504 -19.451 -13.078 1.00 93.01 ? 205 ASN A N 1 ATOM 1666 C CA . ASN A 1 205 ? 41.915 -19.314 -13.376 1.00 102.29 ? 205 ASN A CA 1 ATOM 1667 C C . ASN A 1 205 ? 42.154 -19.428 -14.869 1.00 103.71 ? 205 ASN A C 1 ATOM 1668 O O . ASN A 1 205 ? 42.997 -20.194 -15.335 1.00 100.84 ? 205 ASN A O 1 ATOM 1669 C CB . ASN A 1 205 ? 42.727 -20.374 -12.630 1.00 104.65 ? 205 ASN A CB 1 ATOM 1670 C CG . ASN A 1 205 ? 42.159 -21.769 -12.799 1.00 105.40 ? 205 ASN A CG 1 ATOM 1671 O OD1 . ASN A 1 205 ? 42.443 -22.668 -12.007 1.00 96.64 ? 205 ASN A OD1 1 ATOM 1672 N ND2 . ASN A 1 205 ? 41.352 -21.958 -13.836 1.00 110.83 ? 205 ASN A ND2 1 ATOM 1673 N N . GLU A 1 206 ? 41.395 -18.620 -15.606 1.00 106.43 ? 206 GLU A N 1 ATOM 1674 C CA . GLU A 1 206 ? 41.719 -18.222 -16.960 1.00 108.77 ? 206 GLU A CA 1 ATOM 1675 C C . GLU A 1 206 ? 42.971 -17.361 -16.889 1.00 116.65 ? 206 GLU A C 1 ATOM 1676 O O . GLU A 1 206 ? 43.873 -17.479 -17.718 1.00 126.36 ? 206 GLU A O 1 ATOM 1677 C CB . GLU A 1 206 ? 40.567 -17.433 -17.583 1.00 103.96 ? 206 GLU A CB 1 ATOM 1678 C CG . GLU A 1 206 ? 40.065 -18.003 -18.900 1.00 101.13 ? 206 GLU A CG 1 ATOM 1679 C CD . GLU A 1 206 ? 38.555 -17.950 -19.019 1.00 97.03 ? 206 GLU A CD 1 ATOM 1680 O OE1 . GLU A 1 206 ? 37.908 -17.341 -18.141 1.00 91.94 ? 206 GLU A OE1 1 ATOM 1681 O OE2 . GLU A 1 206 ? 38.014 -18.517 -19.992 1.00 87.59 ? 206 GLU A OE2 1 ATOM 1682 N N . ASP A 1 207 ? 43.016 -16.495 -15.877 1.00 121.11 ? 207 ASP A N 1 ATOM 1683 C CA . ASP A 1 207 ? 44.209 -15.648 -15.636 1.00 122.00 ? 207 ASP A CA 1 ATOM 1684 C C . ASP A 1 207 ? 44.098 -14.421 -14.709 1.00 124.16 ? 207 ASP A C 1 ATOM 1685 O O . ASP A 1 207 ? 43.917 -13.295 -15.146 1.00 121.87 ? 207 ASP A O 1 ATOM 1686 C CB . ASP A 1 207 ? 45.095 -15.417 -16.891 1.00 116.41 ? 207 ASP A CB 1 ATOM 1687 C CG . ASP A 1 207 ? 44.813 -14.113 -17.630 1.00 112.80 ? 207 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 207 ? 45.584 -13.151 -17.458 1.00 100.34 ? 207 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 207 ? 43.875 -14.073 -18.449 1.00 110.73 ? 207 ASP A OD2 1 ATOM 1690 N N . ALA A 1 208 ? 44.275 -14.702 -13.435 1.00 127.71 ? 208 ALA A N 1 ATOM 1691 C CA . ALA A 1 208 ? 44.235 -13.664 -12.469 1.00 128.40 ? 208 ALA A CA 1 ATOM 1692 C C . ALA A 1 208 ? 45.295 -12.666 -12.836 1.00 130.31 ? 208 ALA A C 1 ATOM 1693 O O . ALA A 1 208 ? 46.462 -12.978 -13.021 1.00 135.15 ? 208 ALA A O 1 ATOM 1694 C CB . ALA A 1 208 ? 44.551 -14.244 -11.101 1.00 124.21 ? 208 ALA A CB 1 ATOM 1695 N N . SER A 1 209 ? 44.836 -11.441 -12.946 1.00 127.42 ? 209 SER A N 1 ATOM 1696 C CA . SER A 1 209 ? 45.534 -10.205 -12.565 1.00 117.05 ? 209 SER A CA 1 ATOM 1697 C C . SER A 1 209 ? 44.751 -9.434 -11.495 1.00 107.46 ? 209 SER A C 1 ATOM 1698 O O . SER A 1 209 ? 45.310 -8.976 -10.498 1.00 102.06 ? 209 SER A O 1 ATOM 1699 C CB . SER A 1 209 ? 45.766 -9.319 -13.790 1.00 112.01 ? 209 SER A CB 1 ATOM 1700 O OG . SER A 1 209 ? 44.556 -9.093 -14.493 1.00 104.47 ? 209 SER A OG 1 ATOM 1701 N N . SER A 1 210 ? 43.445 -9.319 -11.722 1.00 92.63 ? 210 SER A N 1 ATOM 1702 C CA . SER A 1 210 ? 42.465 -9.164 -10.738 1.00 82.06 ? 210 SER A CA 1 ATOM 1703 C C . SER A 1 210 ? 42.225 -10.605 -10.399 1.00 74.71 ? 210 SER A C 1 ATOM 1704 O O . SER A 1 210 ? 41.983 -11.400 -11.243 1.00 60.84 ? 210 SER A O 1 ATOM 1705 C CB . SER A 1 210 ? 41.241 -8.527 -11.332 1.00 82.06 ? 210 SER A CB 1 ATOM 1706 O OG . SER A 1 210 ? 41.563 -7.959 -12.581 1.00 82.20 ? 210 SER A OG 1 ATOM 1707 N N . ARG A 1 211 ? 42.403 -10.931 -9.146 1.00 37.99 ? 212 ARG A N 1 ATOM 1708 C CA . ARG A 1 211 ? 41.786 -12.037 -8.544 1.00 39.45 ? 212 ARG A CA 1 ATOM 1709 C C . ARG A 1 211 ? 40.815 -11.367 -7.614 1.00 37.06 ? 212 ARG A C 1 ATOM 1710 O O . ARG A 1 211 ? 40.082 -12.014 -6.941 1.00 34.18 ? 212 ARG A O 1 ATOM 1711 C CB . ARG A 1 211 ? 42.781 -12.865 -7.780 1.00 42.41 ? 212 ARG A CB 1 ATOM 1712 C CG . ARG A 1 211 ? 43.852 -12.089 -7.075 1.00 42.69 ? 212 ARG A CG 1 ATOM 1713 C CD . ARG A 1 211 ? 44.704 -13.023 -6.260 1.00 41.64 ? 212 ARG A CD 1 ATOM 1714 N NE . ARG A 1 211 ? 45.487 -12.281 -5.300 1.00 41.68 ? 212 ARG A NE 1 ATOM 1715 C CZ . ARG A 1 211 ? 45.476 -12.499 -4.006 1.00 38.70 ? 212 ARG A CZ 1 ATOM 1716 N NH1 . ARG A 1 211 ? 44.736 -13.434 -3.503 1.00 36.72 ? 212 ARG A NH1 1 ATOM 1717 N NH2 . ARG A 1 211 ? 46.202 -11.755 -3.235 1.00 40.29 ? 212 ARG A NH2 1 ATOM 1718 N N . PHE A 1 212 ? 40.796 -10.047 -7.635 1.00 36.54 ? 213 PHE A N 1 ATOM 1719 C CA . PHE A 1 212 ? 39.903 -9.270 -6.753 1.00 36.25 ? 213 PHE A CA 1 ATOM 1720 C C . PHE A 1 212 ? 38.520 -9.047 -7.341 1.00 34.04 ? 213 PHE A C 1 ATOM 1721 O O . PHE A 1 212 ? 37.570 -8.775 -6.572 1.00 30.36 ? 213 PHE A O 1 ATOM 1722 C CB . PHE A 1 212 ? 40.553 -7.930 -6.463 1.00 38.82 ? 213 PHE A CB 1 ATOM 1723 C CG . PHE A 1 212 ? 41.949 -8.083 -5.995 1.00 45.31 ? 213 PHE A CG 1 ATOM 1724 C CD1 . PHE A 1 212 ? 42.201 -8.490 -4.685 1.00 48.43 ? 213 PHE A CD1 1 ATOM 1725 C CD2 . PHE A 1 212 ? 43.016 -7.945 -6.873 1.00 49.44 ? 213 PHE A CD2 1 ATOM 1726 C CE1 . PHE A 1 212 ? 43.497 -8.700 -4.237 1.00 48.29 ? 213 PHE A CE1 1 ATOM 1727 C CE2 . PHE A 1 212 ? 44.317 -8.165 -6.431 1.00 50.78 ? 213 PHE A CE2 1 ATOM 1728 C CZ . PHE A 1 212 ? 44.555 -8.538 -5.110 1.00 49.10 ? 213 PHE A CZ 1 ATOM 1729 N N . SER A 1 213 ? 38.438 -9.236 -8.681 1.00 30.56 ? 214 SER A N 1 ATOM 1730 C CA . SER A 1 213 ? 37.325 -8.801 -9.606 1.00 27.38 ? 214 SER A CA 1 ATOM 1731 C C . SER A 1 213 ? 36.460 -10.023 -9.710 1.00 23.96 ? 214 SER A C 1 ATOM 1732 O O . SER A 1 213 ? 36.489 -10.702 -10.745 1.00 23.55 ? 214 SER A O 1 ATOM 1733 C CB . SER A 1 213 ? 37.858 -8.431 -10.979 1.00 28.06 ? 214 SER A CB 1 ATOM 1734 O OG . SER A 1 213 ? 38.529 -7.194 -11.001 1.00 28.60 ? 214 SER A OG 1 ATOM 1735 N N . ASN A 1 214 ? 35.706 -10.335 -8.721 1.00 21.32 ? 215 ASN A N 1 ATOM 1736 C CA . ASN A 1 214 ? 34.703 -11.352 -8.759 1.00 20.67 ? 215 ASN A CA 1 ATOM 1737 C C . ASN A 1 214 ? 33.924 -11.305 -7.451 1.00 20.39 ? 215 ASN A C 1 ATOM 1738 O O . ASN A 1 214 ? 34.397 -10.824 -6.496 1.00 19.56 ? 215 ASN A O 1 ATOM 1739 C CB . ASN A 1 214 ? 35.340 -12.707 -8.955 1.00 21.28 ? 215 ASN A CB 1 ATOM 1740 C CG . ASN A 1 214 ? 36.456 -13.021 -8.008 1.00 21.17 ? 215 ASN A CG 1 ATOM 1741 O OD1 . ASN A 1 214 ? 36.246 -13.412 -6.925 1.00 21.60 ? 215 ASN A OD1 1 ATOM 1742 N ND2 . ASN A 1 214 ? 37.642 -12.895 -8.459 1.00 21.96 ? 215 ASN A ND2 1 ATOM 1743 N N . ALA A 1 215 ? 32.707 -11.815 -7.459 1.00 20.86 ? 216 ALA A N 1 ATOM 1744 C CA . ALA A 1 215 ? 31.788 -11.641 -6.345 1.00 21.58 ? 216 ALA A CA 1 ATOM 1745 C C . ALA A 1 215 ? 32.371 -12.232 -5.058 1.00 22.62 ? 216 ALA A C 1 ATOM 1746 O O . ALA A 1 215 ? 32.321 -11.611 -3.982 1.00 22.50 ? 216 ALA A O 1 ATOM 1747 C CB . ALA A 1 215 ? 30.455 -12.297 -6.682 1.00 21.93 ? 216 ALA A CB 1 ATOM 1748 N N . ASP A 1 216 ? 32.926 -13.435 -5.186 1.00 22.08 ? 217 ASP A N 1 ATOM 1749 C CA . ASP A 1 216 ? 33.458 -14.166 -4.052 1.00 22.68 ? 217 ASP A CA 1 ATOM 1750 C C . ASP A 1 216 ? 34.588 -13.405 -3.314 1.00 22.86 ? 217 ASP A C 1 ATOM 1751 O O . ASP A 1 216 ? 34.630 -13.390 -2.079 1.00 22.52 ? 217 ASP A O 1 ATOM 1752 C CB . ASP A 1 216 ? 33.931 -15.551 -4.514 1.00 23.55 ? 217 ASP A CB 1 ATOM 1753 C CG . ASP A 1 216 ? 34.798 -16.242 -3.496 1.00 24.44 ? 217 ASP A CG 1 ATOM 1754 O OD1 . ASP A 1 216 ? 36.035 -16.206 -3.676 1.00 24.79 ? 217 ASP A OD1 1 ATOM 1755 O OD2 . ASP A 1 216 ? 34.255 -16.794 -2.509 1.00 25.98 ? 217 ASP A OD2 1 ATOM 1756 N N . TYR A 1 217 ? 35.499 -12.769 -4.042 1.00 22.97 ? 218 TYR A N 1 ATOM 1757 C CA . TYR A 1 217 ? 36.483 -11.954 -3.363 1.00 23.42 ? 218 TYR A CA 1 ATOM 1758 C C . TYR A 1 217 ? 35.701 -10.950 -2.541 1.00 22.06 ? 218 TYR A C 1 ATOM 1759 O O . TYR A 1 217 ? 35.824 -10.899 -1.305 1.00 21.33 ? 218 TYR A O 1 ATOM 1760 C CB . TYR A 1 217 ? 37.457 -11.216 -4.301 1.00 25.86 ? 218 TYR A CB 1 ATOM 1761 C CG . TYR A 1 217 ? 38.511 -10.492 -3.480 1.00 27.91 ? 218 TYR A CG 1 ATOM 1762 C CD1 . TYR A 1 217 ? 39.654 -11.167 -3.053 1.00 28.66 ? 218 TYR A CD1 1 ATOM 1763 C CD2 . TYR A 1 217 ? 38.326 -9.177 -3.046 1.00 28.18 ? 218 TYR A CD2 1 ATOM 1764 C CE1 . TYR A 1 217 ? 40.604 -10.547 -2.264 1.00 28.83 ? 218 TYR A CE1 1 ATOM 1765 C CE2 . TYR A 1 217 ? 39.280 -8.548 -2.246 1.00 28.60 ? 218 TYR A CE2 1 ATOM 1766 C CZ . TYR A 1 217 ? 40.416 -9.247 -1.850 1.00 28.91 ? 218 TYR A CZ 1 ATOM 1767 O OH . TYR A 1 217 ? 41.390 -8.676 -1.040 1.00 28.85 ? 218 TYR A OH 1 ATOM 1768 N N . ALA A 1 218 ? 34.853 -10.198 -3.237 1.00 21.23 ? 219 ALA A N 1 ATOM 1769 C CA . ALA A 1 218 ? 34.091 -9.095 -2.614 1.00 21.49 ? 219 ALA A CA 1 ATOM 1770 C C . ALA A 1 218 ? 33.395 -9.498 -1.309 1.00 20.99 ? 219 ALA A C 1 ATOM 1771 O O . ALA A 1 218 ? 33.405 -8.744 -0.322 1.00 19.49 ? 219 ALA A O 1 ATOM 1772 C CB . ALA A 1 218 ? 33.080 -8.520 -3.595 1.00 21.20 ? 219 ALA A CB 1 ATOM 1773 N N . VAL A 1 219 ? 32.826 -10.704 -1.310 1.00 20.75 ? 220 VAL A N 1 ATOM 1774 C CA . VAL A 1 219 ? 32.112 -11.214 -0.153 1.00 20.23 ? 220 VAL A CA 1 ATOM 1775 C C . VAL A 1 219 ? 33.004 -11.622 1.000 1.00 19.96 ? 220 VAL A C 1 ATOM 1776 O O . VAL A 1 219 ? 32.742 -11.262 2.126 1.00 18.46 ? 220 VAL A O 1 ATOM 1777 C CB . VAL A 1 219 ? 31.239 -12.382 -0.553 1.00 20.22 ? 220 VAL A CB 1 ATOM 1778 C CG1 . VAL A 1 219 ? 30.864 -13.193 0.665 1.00 20.98 ? 220 VAL A CG1 1 ATOM 1779 C CG2 . VAL A 1 219 ? 29.983 -11.851 -1.206 1.00 20.76 ? 220 VAL A CG2 1 ATOM 1780 N N . SER A 1 220 ? 34.040 -12.401 0.706 1.00 21.57 ? 221 SER A N 1 ATOM 1781 C CA . SER A 1 220 ? 35.043 -12.789 1.710 1.00 21.69 ? 221 SER A CA 1 ATOM 1782 C C . SER A 1 220 ? 35.588 -11.538 2.356 1.00 22.05 ? 221 SER A C 1 ATOM 1783 O O . SER A 1 220 ? 35.827 -11.490 3.560 1.00 21.60 ? 221 SER A O 1 ATOM 1784 C CB . SER A 1 220 ? 36.229 -13.490 1.050 1.00 21.63 ? 221 SER A CB 1 ATOM 1785 O OG . SER A 1 220 ? 35.864 -14.697 0.419 1.00 22.48 ? 221 SER A OG 1 ATOM 1786 N N . TYR A 1 221 ? 35.791 -10.532 1.520 1.00 21.70 ? 222 TYR A N 1 ATOM 1787 C CA . TYR A 1 221 ? 36.573 -9.398 1.904 1.00 22.87 ? 222 TYR A CA 1 ATOM 1788 C C . TYR A 1 221 ? 35.784 -8.485 2.823 1.00 24.39 ? 222 TYR A C 1 ATOM 1789 O O . TYR A 1 221 ? 36.348 -7.896 3.747 1.00 25.00 ? 222 TYR A O 1 ATOM 1790 C CB . TYR A 1 221 ? 37.003 -8.670 0.648 1.00 22.84 ? 222 TYR A CB 1 ATOM 1791 C CG . TYR A 1 221 ? 37.891 -7.526 0.916 1.00 23.24 ? 222 TYR A CG 1 ATOM 1792 C CD1 . TYR A 1 221 ? 39.140 -7.718 1.512 1.00 23.96 ? 222 TYR A CD1 1 ATOM 1793 C CD2 . TYR A 1 221 ? 37.497 -6.225 0.576 1.00 24.09 ? 222 TYR A CD2 1 ATOM 1794 C CE1 . TYR A 1 221 ? 39.982 -6.633 1.772 1.00 24.90 ? 222 TYR A CE1 1 ATOM 1795 C CE2 . TYR A 1 221 ? 38.320 -5.129 0.823 1.00 24.68 ? 222 TYR A CE2 1 ATOM 1796 C CZ . TYR A 1 221 ? 39.560 -5.334 1.421 1.00 25.42 ? 222 TYR A CZ 1 ATOM 1797 O OH . TYR A 1 221 ? 40.372 -4.248 1.629 1.00 25.74 ? 222 TYR A OH 1 ATOM 1798 N N . MET A 1 222 ? 34.478 -8.381 2.557 1.00 25.64 ? 223 MET A N 1 ATOM 1799 C CA . MET A 1 222 ? 33.541 -7.635 3.389 1.00 24.49 ? 223 MET A CA 1 ATOM 1800 C C . MET A 1 222 ? 33.350 -8.330 4.723 1.00 24.66 ? 223 MET A C 1 ATOM 1801 O O . MET A 1 222 ? 33.298 -7.672 5.776 1.00 25.07 ? 223 MET A O 1 ATOM 1802 C CB . MET A 1 222 ? 32.203 -7.535 2.681 1.00 25.38 ? 223 MET A CB 1 ATOM 1803 C CG . MET A 1 222 ? 32.217 -6.556 1.510 1.00 26.93 ? 223 MET A CG 1 ATOM 1804 S SD . MET A 1 222 ? 32.040 -4.817 1.987 1.00 27.27 ? 223 MET A SD 1 ATOM 1805 C CE . MET A 1 222 ? 30.315 -4.774 2.459 1.00 28.64 ? 223 MET A CE 1 ATOM 1806 N N . LEU A 1 223 ? 33.251 -9.656 4.698 1.00 24.15 ? 224 LEU A N 1 ATOM 1807 C CA . LEU A 1 223 ? 33.248 -10.426 5.955 1.00 25.46 ? 224 LEU A CA 1 ATOM 1808 C C . LEU A 1 223 ? 34.544 -10.259 6.738 1.00 27.56 ? 224 LEU A C 1 ATOM 1809 O O . LEU A 1 223 ? 34.532 -10.235 7.970 1.00 26.85 ? 224 LEU A O 1 ATOM 1810 C CB . LEU A 1 223 ? 33.074 -11.907 5.705 1.00 23.99 ? 224 LEU A CB 1 ATOM 1811 C CG . LEU A 1 223 ? 31.749 -12.316 5.112 1.00 24.07 ? 224 LEU A CG 1 ATOM 1812 C CD1 . LEU A 1 223 ? 31.907 -13.707 4.528 1.00 23.94 ? 224 LEU A CD1 1 ATOM 1813 C CD2 . LEU A 1 223 ? 30.642 -12.266 6.151 1.00 24.26 ? 224 LEU A CD2 1 ATOM 1814 N N . ARG A 1 224 ? 35.655 -10.172 6.012 1.00 29.30 ? 225 ARG A N 1 ATOM 1815 C CA . ARG A 1 224 ? 36.960 -10.059 6.625 1.00 33.16 ? 225 ARG A CA 1 ATOM 1816 C C . ARG A 1 224 ? 37.096 -8.668 7.230 1.00 33.12 ? 225 ARG A C 1 ATOM 1817 O O . ARG A 1 224 ? 37.600 -8.506 8.345 1.00 32.64 ? 225 ARG A O 1 ATOM 1818 C CB . ARG A 1 224 ? 38.035 -10.364 5.579 1.00 37.73 ? 225 ARG A CB 1 ATOM 1819 C CG . ARG A 1 224 ? 39.465 -10.037 5.962 1.00 41.11 ? 225 ARG A CG 1 ATOM 1820 C CD . ARG A 1 224 ? 39.834 -8.712 5.347 1.00 44.32 ? 225 ARG A CD 1 ATOM 1821 N NE . ARG A 1 224 ? 41.242 -8.395 5.455 1.00 52.03 ? 225 ARG A NE 1 ATOM 1822 C CZ . ARG A 1 224 ? 41.859 -8.061 6.590 1.00 59.98 ? 225 ARG A CZ 1 ATOM 1823 N NH1 . ARG A 1 224 ? 43.145 -7.764 6.568 1.00 60.26 ? 225 ARG A NH1 1 ATOM 1824 N NH2 . ARG A 1 224 ? 41.212 -8.033 7.755 1.00 64.04 ? 225 ARG A NH2 1 ATOM 1825 N N . LEU A 1 225 ? 36.605 -7.672 6.498 1.00 32.13 ? 226 LEU A N 1 ATOM 1826 C CA . LEU A 1 225 ? 36.454 -6.316 7.028 1.00 30.96 ? 226 LEU A CA 1 ATOM 1827 C C . LEU A 1 225 ? 35.461 -6.233 8.179 1.00 30.71 ? 226 LEU A C 1 ATOM 1828 O O . LEU A 1 225 ? 35.410 -5.215 8.851 1.00 34.79 ? 226 LEU A O 1 ATOM 1829 C CB . LEU A 1 225 ? 36.007 -5.357 5.919 1.00 29.37 ? 226 LEU A CB 1 ATOM 1830 C CG . LEU A 1 225 ? 37.048 -4.506 5.203 1.00 28.73 ? 226 LEU A CG 1 ATOM 1831 C CD1 . LEU A 1 225 ? 38.488 -4.933 5.418 1.00 28.38 ? 226 LEU A CD1 1 ATOM 1832 C CD2 . LEU A 1 225 ? 36.740 -4.459 3.721 1.00 29.51 ? 226 LEU A CD2 1 ATOM 1833 N N . GLY A 1 226 ? 34.643 -7.260 8.381 1.00 28.87 ? 227 GLY A N 1 ATOM 1834 C CA . GLY A 1 226 ? 33.779 -7.330 9.558 1.00 27.95 ? 227 GLY A CA 1 ATOM 1835 C C . GLY A 1 226 ? 32.337 -6.940 9.296 1.00 29.23 ? 227 GLY A C 1 ATOM 1836 O O . GLY A 1 226 ? 31.672 -6.422 10.170 1.00 28.93 ? 227 GLY A O 1 ATOM 1837 N N . ALA A 1 227 ? 31.837 -7.182 8.088 1.00 29.77 ? 228 ALA A N 1 ATOM 1838 C CA . ALA A 1 227 ? 30.407 -7.087 7.854 1.00 29.27 ? 228 ALA A CA 1 ATOM 1839 C C . ALA A 1 227 ? 29.845 -8.411 8.321 1.00 30.26 ? 228 ALA A C 1 ATOM 1840 O O . ALA A 1 227 ? 30.250 -9.451 7.812 1.00 29.81 ? 228 ALA A O 1 ATOM 1841 C CB . ALA A 1 227 ? 30.120 -6.891 6.382 1.00 29.47 ? 228 ALA A CB 1 ATOM 1842 N N . PRO A 1 228 ? 28.924 -8.403 9.307 1.00 30.97 ? 229 PRO A N 1 ATOM 1843 C CA . PRO A 1 228 ? 28.348 -9.716 9.644 1.00 28.64 ? 229 PRO A CA 1 ATOM 1844 C C . PRO A 1 228 ? 27.691 -10.289 8.414 1.00 26.23 ? 229 PRO A C 1 ATOM 1845 O O . PRO A 1 228 ? 27.097 -9.547 7.653 1.00 25.10 ? 229 PRO A O 1 ATOM 1846 C CB . PRO A 1 228 ? 27.287 -9.399 10.714 1.00 27.78 ? 229 PRO A CB 1 ATOM 1847 C CG . PRO A 1 228 ? 27.631 -8.042 11.212 1.00 29.12 ? 229 PRO A CG 1 ATOM 1848 C CD . PRO A 1 228 ? 28.322 -7.311 10.096 1.00 30.11 ? 229 PRO A CD 1 ATOM 1849 N N . ALA A 1 229 ? 27.803 -11.591 8.217 1.00 26.05 ? 230 ALA A N 1 ATOM 1850 C CA . ALA A 1 229 ? 27.066 -12.260 7.148 1.00 25.86 ? 230 ALA A CA 1 ATOM 1851 C C . ALA A 1 229 ? 25.599 -11.890 7.165 1.00 25.43 ? 230 ALA A C 1 ATOM 1852 O O . ALA A 1 229 ? 25.031 -11.629 6.115 1.00 26.78 ? 230 ALA A O 1 ATOM 1853 C CB . ALA A 1 229 ? 27.208 -13.767 7.250 1.00 25.68 ? 230 ALA A CB 1 ATOM 1854 N N . ASN A 1 230 ? 24.987 -11.856 8.347 1.00 25.31 ? 231 ASN A N 1 ATOM 1855 C CA . ASN A 1 230 ? 23.533 -11.608 8.451 1.00 25.45 ? 231 ASN A CA 1 ATOM 1856 C C . ASN A 1 230 ? 23.063 -10.157 8.159 1.00 25.21 ? 231 ASN A C 1 ATOM 1857 O O . ASN A 1 230 ? 21.850 -9.869 8.182 1.00 25.39 ? 231 ASN A O 1 ATOM 1858 C CB . ASN A 1 230 ? 22.997 -12.101 9.793 1.00 25.17 ? 231 ASN A CB 1 ATOM 1859 C CG . ASN A 1 230 ? 23.368 -11.198 10.963 1.00 26.73 ? 231 ASN A CG 1 ATOM 1860 O OD1 . ASN A 1 230 ? 24.010 -10.143 10.835 1.00 24.92 ? 231 ASN A OD1 1 ATOM 1861 N ND2 . ASN A 1 230 ? 22.936 -11.620 12.135 1.00 29.12 ? 231 ASN A ND2 1 ATOM 1862 N N . LYS A 1 231 ? 24.015 -9.261 7.883 1.00 24.00 ? 232 LYS A N 1 ATOM 1863 C CA . LYS A 1 231 ? 23.707 -7.947 7.310 1.00 24.07 ? 232 LYS A CA 1 ATOM 1864 C C . LYS A 1 231 ? 24.062 -7.817 5.822 1.00 23.22 ? 232 LYS A C 1 ATOM 1865 O O . LYS A 1 231 ? 23.796 -6.797 5.216 1.00 24.27 ? 232 LYS A O 1 ATOM 1866 C CB . LYS A 1 231 ? 24.400 -6.862 8.115 1.00 24.13 ? 232 LYS A CB 1 ATOM 1867 C CG . LYS A 1 231 ? 23.817 -6.794 9.500 1.00 24.47 ? 232 LYS A CG 1 ATOM 1868 C CD . LYS A 1 231 ? 23.998 -5.448 10.137 1.00 24.59 ? 232 LYS A CD 1 ATOM 1869 C CE . LYS A 1 231 ? 23.024 -5.307 11.290 1.00 25.18 ? 232 LYS A CE 1 ATOM 1870 N NZ . LYS A 1 231 ? 23.554 -4.330 12.277 1.00 26.06 ? 232 LYS A NZ 1 ATOM 1871 N N . LEU A 1 232 ? 24.606 -8.871 5.232 1.00 21.66 ? 233 LEU A N 1 ATOM 1872 C CA . LEU A 1 232 ? 25.186 -8.776 3.915 1.00 20.32 ? 233 LEU A CA 1 ATOM 1873 C C . LEU A 1 232 ? 24.257 -9.376 2.899 1.00 18.67 ? 233 LEU A C 1 ATOM 1874 O O . LEU A 1 232 ? 23.722 -10.476 3.111 1.00 16.81 ? 233 LEU A O 1 ATOM 1875 C CB . LEU A 1 232 ? 26.509 -9.532 3.857 1.00 21.07 ? 233 LEU A CB 1 ATOM 1876 C CG . LEU A 1 232 ? 27.768 -8.805 3.378 1.00 22.21 ? 233 LEU A CG 1 ATOM 1877 C CD1 . LEU A 1 232 ? 28.565 -9.743 2.507 1.00 21.87 ? 233 LEU A CD1 1 ATOM 1878 C CD2 . LEU A 1 232 ? 27.545 -7.493 2.622 1.00 23.16 ? 233 LEU A CD2 1 ATOM 1879 N N . VAL A 1 233 ? 24.114 -8.655 1.782 1.00 17.49 ? 234 VAL A N 1 ATOM 1880 C CA . VAL A 1 233 ? 23.233 -9.029 0.703 1.00 17.04 ? 234 VAL A CA 1 ATOM 1881 C C . VAL A 1 233 ? 23.964 -8.916 -0.620 1.00 17.20 ? 234 VAL A C 1 ATOM 1882 O O . VAL A 1 233 ? 24.316 -7.853 -1.036 1.00 17.80 ? 234 VAL A O 1 ATOM 1883 C CB . VAL A 1 233 ? 21.999 -8.128 0.706 1.00 17.06 ? 234 VAL A CB 1 ATOM 1884 C CG1 . VAL A 1 233 ? 21.166 -8.320 -0.539 1.00 17.06 ? 234 VAL A CG1 1 ATOM 1885 C CG2 . VAL A 1 233 ? 21.139 -8.413 1.922 1.00 17.22 ? 234 VAL A CG2 1 ATOM 1886 N N . MET A 1 234 ? 24.160 -10.028 -1.298 1.00 17.96 ? 235 MET A N 1 ATOM 1887 C CA . MET A 1 234 ? 24.907 -10.037 -2.547 1.00 18.29 ? 235 MET A CA 1 ATOM 1888 C C . MET A 1 234 ? 24.096 -9.568 -3.757 1.00 16.98 ? 235 MET A C 1 ATOM 1889 O O . MET A 1 234 ? 23.039 -10.089 -4.051 1.00 16.63 ? 235 MET A O 1 ATOM 1890 C CB . MET A 1 234 ? 25.383 -11.455 -2.815 1.00 19.25 ? 235 MET A CB 1 ATOM 1891 C CG . MET A 1 234 ? 26.290 -11.568 -4.025 1.00 20.22 ? 235 MET A CG 1 ATOM 1892 S SD . MET A 1 234 ? 27.014 -13.222 -4.115 1.00 21.47 ? 235 MET A SD 1 ATOM 1893 C CE . MET A 1 234 ? 25.808 -14.101 -5.117 1.00 20.93 ? 235 MET A CE 1 ATOM 1894 N N . GLY A 1 235 ? 24.630 -8.622 -4.499 1.00 16.34 ? 236 GLY A N 1 ATOM 1895 C CA . GLY A 1 235 ? 23.910 -8.059 -5.638 1.00 16.23 ? 236 GLY A CA 1 ATOM 1896 C C . GLY A 1 235 ? 24.030 -8.922 -6.861 1.00 15.79 ? 236 GLY A C 1 ATOM 1897 O O . GLY A 1 235 ? 25.112 -9.300 -7.248 1.00 15.63 ? 236 GLY A O 1 ATOM 1898 N N . ILE A 1 236 ? 22.901 -9.227 -7.464 1.00 16.40 ? 237 ILE A N 1 ATOM 1899 C CA . ILE A 1 236 ? 22.823 -10.045 -8.672 1.00 17.44 ? 237 ILE A CA 1 ATOM 1900 C C . ILE A 1 236 ? 22.171 -9.261 -9.840 1.00 18.22 ? 237 ILE A C 1 ATOM 1901 O O . ILE A 1 236 ? 20.972 -8.900 -9.767 1.00 17.96 ? 237 ILE A O 1 ATOM 1902 C CB . ILE A 1 236 ? 21.962 -11.289 -8.419 1.00 17.79 ? 237 ILE A CB 1 ATOM 1903 C CG1 . ILE A 1 236 ? 22.609 -12.201 -7.378 1.00 18.29 ? 237 ILE A CG1 1 ATOM 1904 C CG2 . ILE A 1 236 ? 21.757 -12.076 -9.694 1.00 18.15 ? 237 ILE A CG2 1 ATOM 1905 C CD1 . ILE A 1 236 ? 21.656 -13.240 -6.803 1.00 18.17 ? 237 ILE A CD1 1 ATOM 1906 N N . PRO A 1 237 ? 22.941 -9.012 -10.924 1.00 18.23 ? 238 PRO A N 1 ATOM 1907 C CA . PRO A 1 237 ? 22.390 -8.182 -11.984 1.00 19.34 ? 238 PRO A CA 1 ATOM 1908 C C . PRO A 1 237 ? 21.337 -8.939 -12.782 1.00 20.48 ? 238 PRO A C 1 ATOM 1909 O O . PRO A 1 237 ? 21.384 -10.157 -12.873 1.00 22.38 ? 238 PRO A O 1 ATOM 1910 C CB . PRO A 1 237 ? 23.604 -7.904 -12.874 1.00 18.42 ? 238 PRO A CB 1 ATOM 1911 C CG . PRO A 1 237 ? 24.394 -9.149 -12.749 1.00 17.90 ? 238 PRO A CG 1 ATOM 1912 C CD . PRO A 1 237 ? 24.205 -9.640 -11.337 1.00 17.57 ? 238 PRO A CD 1 ATOM 1913 N N . THR A 1 238 ? 20.408 -8.198 -13.366 1.00 21.36 ? 239 THR A N 1 ATOM 1914 C CA . THR A 1 238 ? 19.371 -8.734 -14.240 1.00 20.28 ? 239 THR A CA 1 ATOM 1915 C C . THR A 1 238 ? 19.658 -8.307 -15.693 1.00 19.45 ? 239 THR A C 1 ATOM 1916 O O . THR A 1 238 ? 19.085 -8.799 -16.638 1.00 18.72 ? 239 THR A O 1 ATOM 1917 C CB . THR A 1 238 ? 18.015 -8.219 -13.714 1.00 20.47 ? 239 THR A CB 1 ATOM 1918 O OG1 . THR A 1 238 ? 17.283 -9.300 -13.141 1.00 21.16 ? 239 THR A OG1 1 ATOM 1919 C CG2 . THR A 1 238 ? 17.206 -7.603 -14.762 1.00 20.83 ? 239 THR A CG2 1 ATOM 1920 N N . PHE A 1 239 ? 20.568 -7.374 -15.851 1.00 19.41 ? 240 PHE A N 1 ATOM 1921 C CA . PHE A 1 239 ? 20.884 -6.834 -17.150 1.00 19.89 ? 240 PHE A CA 1 ATOM 1922 C C . PHE A 1 239 ? 22.129 -7.531 -17.635 1.00 20.35 ? 240 PHE A C 1 ATOM 1923 O O . PHE A 1 239 ? 22.739 -8.310 -16.901 1.00 20.56 ? 240 PHE A O 1 ATOM 1924 C CB . PHE A 1 239 ? 21.150 -5.328 -17.068 1.00 18.87 ? 240 PHE A CB 1 ATOM 1925 C CG . PHE A 1 239 ? 22.201 -4.980 -16.097 1.00 19.24 ? 240 PHE A CG 1 ATOM 1926 C CD1 . PHE A 1 239 ? 21.883 -4.769 -14.746 1.00 19.62 ? 240 PHE A CD1 1 ATOM 1927 C CD2 . PHE A 1 239 ? 23.522 -4.908 -16.497 1.00 19.98 ? 240 PHE A CD2 1 ATOM 1928 C CE1 . PHE A 1 239 ? 22.864 -4.457 -13.828 1.00 20.29 ? 240 PHE A CE1 1 ATOM 1929 C CE2 . PHE A 1 239 ? 24.527 -4.592 -15.579 1.00 20.05 ? 240 PHE A CE2 1 ATOM 1930 C CZ . PHE A 1 239 ? 24.196 -4.368 -14.241 1.00 20.44 ? 240 PHE A CZ 1 ATOM 1931 N N . GLY A 1 240 ? 22.495 -7.237 -18.877 1.00 20.72 ? 241 GLY A N 1 ATOM 1932 C CA . GLY A 1 240 ? 23.775 -7.642 -19.425 1.00 21.31 ? 241 GLY A CA 1 ATOM 1933 C C . GLY A 1 240 ? 24.498 -6.448 -19.990 1.00 21.89 ? 241 GLY A C 1 ATOM 1934 O O . GLY A 1 240 ? 23.977 -5.336 -20.079 1.00 21.58 ? 241 GLY A O 1 ATOM 1935 N N . ARG A 1 241 ? 25.730 -6.691 -20.363 1.00 23.64 ? 242 ARG A N 1 ATOM 1936 C CA . ARG A 1 241 ? 26.562 -5.661 -20.891 1.00 24.23 ? 242 ARG A CA 1 ATOM 1937 C C . ARG A 1 241 ? 27.075 -6.120 -22.218 1.00 23.70 ? 242 ARG A C 1 ATOM 1938 O O . ARG A 1 241 ? 27.428 -7.289 -22.387 1.00 23.61 ? 242 ARG A O 1 ATOM 1939 C CB . ARG A 1 241 ? 27.682 -5.413 -19.921 1.00 26.56 ? 242 ARG A CB 1 ATOM 1940 C CG . ARG A 1 241 ? 27.161 -4.674 -18.714 1.00 30.21 ? 242 ARG A CG 1 ATOM 1941 C CD . ARG A 1 241 ? 28.195 -4.608 -17.613 1.00 34.60 ? 242 ARG A CD 1 ATOM 1942 N NE . ARG A 1 241 ? 29.306 -3.770 -18.009 1.00 38.37 ? 242 ARG A NE 1 ATOM 1943 C CZ . ARG A 1 241 ? 29.271 -2.446 -18.044 1.00 44.08 ? 242 ARG A CZ 1 ATOM 1944 N NH1 . ARG A 1 241 ? 28.177 -1.789 -17.684 1.00 46.95 ? 242 ARG A NH1 1 ATOM 1945 N NH2 . ARG A 1 241 ? 30.346 -1.771 -18.442 1.00 49.96 ? 242 ARG A NH2 1 ATOM 1946 N N . SER A 1 242 ? 27.084 -5.194 -23.163 1.00 23.88 ? 243 SER A N 1 ATOM 1947 C CA . SER A 1 242 ? 27.447 -5.467 -24.550 1.00 23.87 ? 243 SER A CA 1 ATOM 1948 C C . SER A 1 242 ? 28.706 -4.697 -24.921 1.00 25.32 ? 243 SER A C 1 ATOM 1949 O O . SER A 1 242 ? 29.056 -3.652 -24.310 1.00 22.99 ? 243 SER A O 1 ATOM 1950 C CB . SER A 1 242 ? 26.332 -5.002 -25.475 1.00 23.48 ? 243 SER A CB 1 ATOM 1951 O OG . SER A 1 242 ? 26.203 -3.578 -25.422 1.00 22.29 ? 243 SER A OG 1 ATOM 1952 N N . TYR A 1 243 ? 29.370 -5.227 -25.947 1.00 26.81 ? 244 TYR A N 1 ATOM 1953 C CA . TYR A 1 243 ? 30.633 -4.691 -26.458 1.00 26.27 ? 244 TYR A CA 1 ATOM 1954 C C . TYR A 1 243 ? 30.646 -4.983 -27.934 1.00 27.42 ? 244 TYR A C 1 ATOM 1955 O O . TYR A 1 243 ? 30.342 -6.100 -28.364 1.00 27.02 ? 244 TYR A O 1 ATOM 1956 C CB . TYR A 1 243 ? 31.842 -5.371 -25.793 1.00 25.58 ? 244 TYR A CB 1 ATOM 1957 C CG . TYR A 1 243 ? 31.770 -5.337 -24.292 1.00 26.01 ? 244 TYR A CG 1 ATOM 1958 C CD1 . TYR A 1 243 ? 31.182 -6.387 -23.571 1.00 25.88 ? 244 TYR A CD1 1 ATOM 1959 C CD2 . TYR A 1 243 ? 32.215 -4.217 -23.585 1.00 25.74 ? 244 TYR A CD2 1 ATOM 1960 C CE1 . TYR A 1 243 ? 31.065 -6.319 -22.185 1.00 25.74 ? 244 TYR A CE1 1 ATOM 1961 C CE2 . TYR A 1 243 ? 32.117 -4.143 -22.202 1.00 24.95 ? 244 TYR A CE2 1 ATOM 1962 C CZ . TYR A 1 243 ? 31.546 -5.183 -21.499 1.00 25.28 ? 244 TYR A CZ 1 ATOM 1963 O OH . TYR A 1 243 ? 31.452 -5.082 -20.121 1.00 24.04 ? 244 TYR A OH 1 ATOM 1964 N N . THR A 1 244 ? 30.988 -3.970 -28.706 1.00 29.20 ? 245 THR A N 1 ATOM 1965 C CA . THR A 1 244 ? 31.200 -4.134 -30.122 1.00 30.80 ? 245 THR A CA 1 ATOM 1966 C C . THR A 1 244 ? 32.603 -4.704 -30.308 1.00 30.54 ? 245 THR A C 1 ATOM 1967 O O . THR A 1 244 ? 33.577 -4.135 -29.824 1.00 29.95 ? 245 THR A O 1 ATOM 1968 C CB . THR A 1 244 ? 31.070 -2.781 -30.833 1.00 32.14 ? 245 THR A CB 1 ATOM 1969 O OG1 . THR A 1 244 ? 29.744 -2.267 -30.627 1.00 31.16 ? 245 THR A OG1 1 ATOM 1970 C CG2 . THR A 1 244 ? 31.362 -2.918 -32.328 1.00 32.78 ? 245 THR A CG2 1 ATOM 1971 N N . LEU A 1 245 ? 32.688 -5.841 -30.992 1.00 31.59 ? 246 LEU A N 1 ATOM 1972 C CA . LEU A 1 245 ? 33.968 -6.540 -31.211 1.00 32.31 ? 246 LEU A CA 1 ATOM 1973 C C . LEU A 1 245 ? 34.821 -5.845 -32.247 1.00 32.03 ? 246 LEU A C 1 ATOM 1974 O O . LEU A 1 245 ? 34.299 -5.251 -33.187 1.00 33.40 ? 246 LEU A O 1 ATOM 1975 C CB . LEU A 1 245 ? 33.737 -7.966 -31.703 1.00 31.26 ? 246 LEU A CB 1 ATOM 1976 C CG . LEU A 1 245 ? 33.202 -8.965 -30.689 1.00 30.84 ? 246 LEU A CG 1 ATOM 1977 C CD1 . LEU A 1 245 ? 32.873 -10.258 -31.407 1.00 32.15 ? 246 LEU A CD1 1 ATOM 1978 C CD2 . LEU A 1 245 ? 34.176 -9.244 -29.569 1.00 28.83 ? 246 LEU A CD2 1 ATOM 1979 N N . ALA A 1 246 ? 36.131 -5.954 -32.090 1.00 31.94 ? 247 ALA A N 1 ATOM 1980 C CA . ALA A 1 246 ? 37.059 -5.309 -33.013 1.00 34.14 ? 247 ALA A CA 1 ATOM 1981 C C . ALA A 1 246 ? 37.634 -6.306 -34.041 1.00 36.10 ? 247 ALA A C 1 ATOM 1982 O O . ALA A 1 246 ? 38.392 -5.928 -34.929 1.00 35.67 ? 247 ALA A O 1 ATOM 1983 C CB . ALA A 1 246 ? 38.169 -4.585 -32.246 1.00 33.27 ? 247 ALA A CB 1 ATOM 1984 N N . SER A 1 247 ? 37.251 -7.574 -33.936 1.00 38.75 ? 248 SER A N 1 ATOM 1985 C CA . SER A 1 247 ? 37.725 -8.598 -34.863 1.00 40.08 ? 248 SER A CA 1 ATOM 1986 C C . SER A 1 247 ? 36.799 -9.800 -34.749 1.00 39.07 ? 248 SER A C 1 ATOM 1987 O O . SER A 1 247 ? 35.786 -9.743 -34.075 1.00 40.16 ? 248 SER A O 1 ATOM 1988 C CB . SER A 1 247 ? 39.130 -9.071 -34.459 1.00 42.22 ? 248 SER A CB 1 ATOM 1989 O OG . SER A 1 247 ? 39.078 -10.065 -33.433 1.00 44.93 ? 248 SER A OG 1 ATOM 1990 N N . SER A 1 248 ? 37.131 -10.892 -35.411 1.00 39.85 ? 249 SER A N 1 ATOM 1991 C CA . SER A 1 248 ? 36.298 -12.082 -35.294 1.00 42.55 ? 249 SER A CA 1 ATOM 1992 C C . SER A 1 248 ? 36.786 -12.930 -34.104 1.00 43.97 ? 249 SER A C 1 ATOM 1993 O O . SER A 1 248 ? 36.295 -14.052 -33.865 1.00 39.35 ? 249 SER A O 1 ATOM 1994 C CB . SER A 1 248 ? 36.246 -12.873 -36.619 1.00 42.88 ? 249 SER A CB 1 ATOM 1995 O OG . SER A 1 248 ? 37.499 -13.421 -36.980 1.00 41.81 ? 249 SER A OG 1 ATOM 1996 N N . LYS A 1 249 ? 37.738 -12.379 -33.342 1.00 45.44 ? 250 LYS A N 1 ATOM 1997 C CA . LYS A 1 249 ? 38.081 -12.967 -32.054 1.00 46.27 ? 250 LYS A CA 1 ATOM 1998 C C . LYS A 1 249 ? 36.952 -12.670 -31.051 1.00 43.28 ? 250 LYS A C 1 ATOM 1999 O O . LYS A 1 249 ? 36.374 -11.576 -31.003 1.00 37.52 ? 250 LYS A O 1 ATOM 2000 C CB . LYS A 1 249 ? 39.460 -12.515 -31.540 1.00 48.54 ? 250 LYS A CB 1 ATOM 2001 C CG . LYS A 1 249 ? 40.167 -13.603 -30.722 1.00 51.72 ? 250 LYS A CG 1 ATOM 2002 C CD . LYS A 1 249 ? 40.945 -13.027 -29.543 1.00 55.95 ? 250 LYS A CD 1 ATOM 2003 C CE . LYS A 1 249 ? 41.837 -14.054 -28.872 1.00 59.82 ? 250 LYS A CE 1 ATOM 2004 N NZ . LYS A 1 249 ? 41.051 -15.187 -28.297 1.00 62.10 ? 250 LYS A NZ 1 ATOM 2005 N N . THR A 1 250 ? 36.675 -13.680 -30.246 1.00 46.24 ? 251 THR A N 1 ATOM 2006 C CA . THR A 1 250 ? 35.441 -13.784 -29.513 1.00 46.81 ? 251 THR A CA 1 ATOM 2007 C C . THR A 1 250 ? 35.639 -14.471 -28.121 1.00 50.50 ? 251 THR A C 1 ATOM 2008 O O . THR A 1 250 ? 34.832 -14.261 -27.213 1.00 51.79 ? 251 THR A O 1 ATOM 2009 C CB . THR A 1 250 ? 34.396 -14.459 -30.426 1.00 44.63 ? 251 THR A CB 1 ATOM 2010 O OG1 . THR A 1 250 ? 33.643 -13.431 -31.075 1.00 44.25 ? 251 THR A OG1 1 ATOM 2011 C CG2 . THR A 1 250 ? 33.467 -15.428 -29.711 1.00 43.36 ? 251 THR A CG2 1 ATOM 2012 N N . ASP A 1 251 ? 36.747 -15.148 -27.959 1.00 55.54 ? 252 ASP A N 1 ATOM 2013 C CA . ASP A 1 251 ? 36.996 -15.789 -26.700 1.00 58.48 ? 252 ASP A CA 1 ATOM 2014 C C . ASP A 1 251 ? 37.512 -14.814 -25.711 1.00 57.22 ? 252 ASP A C 1 ATOM 2015 O O . ASP A 1 251 ? 37.395 -13.633 -25.890 1.00 55.45 ? 252 ASP A O 1 ATOM 2016 C CB . ASP A 1 251 ? 37.732 -17.135 -26.813 1.00 65.98 ? 252 ASP A CB 1 ATOM 2017 C CG . ASP A 1 251 ? 38.288 -17.381 -28.199 1.00 70.94 ? 252 ASP A CG 1 ATOM 2018 O OD1 . ASP A 1 251 ? 38.927 -18.407 -28.413 1.00 77.57 ? 252 ASP A OD1 1 ATOM 2019 O OD2 . ASP A 1 251 ? 38.084 -16.543 -29.077 1.00 63.66 ? 252 ASP A OD2 1 ATOM 2020 N N . VAL A 1 252 ? 38.166 -15.339 -24.682 1.00 59.92 ? 253 VAL A N 1 ATOM 2021 C CA . VAL A 1 252 ? 38.825 -14.497 -23.704 1.00 61.10 ? 253 VAL A CA 1 ATOM 2022 C C . VAL A 1 252 ? 39.942 -13.703 -24.371 1.00 55.98 ? 253 VAL A C 1 ATOM 2023 O O . VAL A 1 252 ? 40.702 -14.220 -25.189 1.00 48.00 ? 253 VAL A O 1 ATOM 2024 C CB . VAL A 1 252 ? 39.414 -15.327 -22.549 1.00 64.17 ? 253 VAL A CB 1 ATOM 2025 C CG1 . VAL A 1 252 ? 39.592 -14.462 -21.311 1.00 65.54 ? 253 VAL A CG1 1 ATOM 2026 C CG2 . VAL A 1 252 ? 38.525 -16.524 -22.249 1.00 62.16 ? 253 VAL A CG2 1 ATOM 2027 N N . GLY A 1 253 ? 40.017 -12.435 -23.995 1.00 57.47 ? 254 GLY A N 1 ATOM 2028 C CA . GLY A 1 253 ? 41.035 -11.482 -24.462 1.00 53.24 ? 254 GLY A CA 1 ATOM 2029 C C . GLY A 1 253 ? 40.662 -10.708 -25.709 1.00 50.46 ? 254 GLY A C 1 ATOM 2030 O O . GLY A 1 253 ? 41.335 -9.732 -26.050 1.00 52.97 ? 254 GLY A O 1 ATOM 2031 N N . ALA A 1 254 ? 39.591 -11.136 -26.382 1.00 46.23 ? 255 ALA A N 1 ATOM 2032 C CA . ALA A 1 254 ? 39.214 -10.598 -27.689 1.00 42.46 ? 255 ALA A CA 1 ATOM 2033 C C . ALA A 1 254 ? 39.097 -9.074 -27.644 1.00 41.28 ? 255 ALA A C 1 ATOM 2034 O O . ALA A 1 254 ? 38.487 -8.528 -26.736 1.00 39.24 ? 255 ALA A O 1 ATOM 2035 C CB . ALA A 1 254 ? 37.912 -11.225 -28.155 1.00 41.09 ? 255 ALA A CB 1 ATOM 2036 N N . PRO A 1 255 ? 39.713 -8.376 -28.609 1.00 39.73 ? 256 PRO A N 1 ATOM 2037 C CA . PRO A 1 255 ? 39.705 -6.926 -28.515 1.00 36.56 ? 256 PRO A CA 1 ATOM 2038 C C . PRO A 1 255 ? 38.332 -6.331 -28.866 1.00 33.95 ? 256 PRO A C 1 ATOM 2039 O O . PRO A 1 255 ? 37.515 -6.990 -29.506 1.00 31.30 ? 256 PRO A O 1 ATOM 2040 C CB . PRO A 1 255 ? 40.787 -6.508 -29.510 1.00 35.69 ? 256 PRO A CB 1 ATOM 2041 C CG . PRO A 1 255 ? 40.758 -7.571 -30.537 1.00 36.70 ? 256 PRO A CG 1 ATOM 2042 C CD . PRO A 1 255 ? 40.324 -8.842 -29.866 1.00 38.63 ? 256 PRO A CD 1 ATOM 2043 N N . ILE A 1 256 ? 38.131 -5.083 -28.448 1.00 31.14 ? 257 ILE A N 1 ATOM 2044 C CA . ILE A 1 256 ? 36.840 -4.456 -28.375 1.00 31.20 ? 257 ILE A CA 1 ATOM 2045 C C . ILE A 1 256 ? 36.918 -3.051 -28.966 1.00 33.74 ? 257 ILE A C 1 ATOM 2046 O O . ILE A 1 256 ? 37.772 -2.262 -28.568 1.00 37.19 ? 257 ILE A O 1 ATOM 2047 C CB . ILE A 1 256 ? 36.373 -4.476 -26.887 1.00 31.51 ? 257 ILE A CB 1 ATOM 2048 C CG1 . ILE A 1 256 ? 35.095 -5.271 -26.769 1.00 31.59 ? 257 ILE A CG1 1 ATOM 2049 C CG2 . ILE A 1 256 ? 36.064 -3.104 -26.278 1.00 31.61 ? 257 ILE A CG2 1 ATOM 2050 C CD1 . ILE A 1 256 ? 35.175 -6.662 -27.322 1.00 31.39 ? 257 ILE A CD1 1 ATOM 2051 N N . SER A 1 257 ? 36.050 -2.728 -29.926 1.00 34.05 ? 258 SER A N 1 ATOM 2052 C CA . SER A 1 257 ? 36.035 -1.364 -30.477 1.00 34.03 ? 258 SER A CA 1 ATOM 2053 C C . SER A 1 257 ? 35.332 -0.414 -29.513 1.00 33.72 ? 258 SER A C 1 ATOM 2054 O O . SER A 1 257 ? 35.468 0.794 -29.644 1.00 35.47 ? 258 SER A O 1 ATOM 2055 C CB . SER A 1 257 ? 35.327 -1.285 -31.834 1.00 33.67 ? 258 SER A CB 1 ATOM 2056 O OG . SER A 1 257 ? 34.068 -0.635 -31.692 1.00 33.66 ? 258 SER A OG 1 ATOM 2057 N N . GLY A 1 258 ? 34.552 -0.964 -28.583 1.00 32.72 ? 259 GLY A N 1 ATOM 2058 C CA . GLY A 1 258 ? 33.791 -0.164 -27.616 1.00 31.56 ? 259 GLY A CA 1 ATOM 2059 C C . GLY A 1 258 ? 32.476 -0.829 -27.206 1.00 29.94 ? 259 GLY A C 1 ATOM 2060 O O . GLY A 1 258 ? 32.283 -2.031 -27.423 1.00 28.79 ? 259 GLY A O 1 ATOM 2061 N N . PRO A 1 259 ? 31.548 -0.046 -26.629 1.00 29.06 ? 260 PRO A N 1 ATOM 2062 C CA . PRO A 1 259 ? 30.306 -0.653 -26.175 1.00 28.16 ? 260 PRO A CA 1 ATOM 2063 C C . PRO A 1 259 ? 29.469 -1.156 -27.326 1.00 27.39 ? 260 PRO A C 1 ATOM 2064 O O . PRO A 1 259 ? 29.569 -0.651 -28.456 1.00 26.40 ? 260 PRO A O 1 ATOM 2065 C CB . PRO A 1 259 ? 29.576 0.505 -25.479 1.00 27.87 ? 260 PRO A CB 1 ATOM 2066 C CG . PRO A 1 259 ? 30.063 1.725 -26.173 1.00 28.20 ? 260 PRO A CG 1 ATOM 2067 C CD . PRO A 1 259 ? 31.497 1.431 -26.552 1.00 29.29 ? 260 PRO A CD 1 ATOM 2068 N N . GLY A 1 260 ? 28.640 -2.145 -27.021 1.00 27.94 ? 261 GLY A N 1 ATOM 2069 C CA . GLY A 1 260 ? 27.684 -2.666 -27.984 1.00 28.51 ? 261 GLY A CA 1 ATOM 2070 C C . GLY A 1 260 ? 26.575 -1.669 -28.267 1.00 27.85 ? 261 GLY A C 1 ATOM 2071 O O . GLY A 1 260 ? 26.386 -0.689 -27.510 1.00 26.08 ? 261 GLY A O 1 ATOM 2072 N N . ILE A 1 261 ? 25.854 -1.909 -29.357 1.00 27.69 ? 262 ILE A N 1 ATOM 2073 C CA . ILE A 1 261 ? 24.751 -1.005 -29.766 1.00 30.20 ? 262 ILE A CA 1 ATOM 2074 C C . ILE A 1 261 ? 23.599 -0.961 -28.767 1.00 28.57 ? 262 ILE A C 1 ATOM 2075 O O . ILE A 1 261 ? 23.378 -1.928 -28.024 1.00 26.51 ? 262 ILE A O 1 ATOM 2076 C CB . ILE A 1 261 ? 24.136 -1.382 -31.136 1.00 32.00 ? 262 ILE A CB 1 ATOM 2077 C CG1 . ILE A 1 261 ? 23.483 -2.783 -31.047 1.00 33.58 ? 262 ILE A CG1 1 ATOM 2078 C CG2 . ILE A 1 261 ? 25.200 -1.287 -32.232 1.00 32.36 ? 262 ILE A CG2 1 ATOM 2079 C CD1 . ILE A 1 261 ? 23.126 -3.413 -32.374 1.00 34.14 ? 262 ILE A CD1 1 ATOM 2080 N N . PRO A 1 262 ? 22.860 0.166 -28.759 1.00 28.90 ? 263 PRO A N 1 ATOM 2081 C CA . PRO A 1 262 ? 21.691 0.294 -27.901 1.00 28.52 ? 263 PRO A CA 1 ATOM 2082 C C . PRO A 1 262 ? 20.669 -0.810 -28.137 1.00 29.81 ? 263 PRO A C 1 ATOM 2083 O O . PRO A 1 262 ? 20.494 -1.276 -29.271 1.00 29.83 ? 263 PRO A O 1 ATOM 2084 C CB . PRO A 1 262 ? 21.125 1.659 -28.292 1.00 27.90 ? 263 PRO A CB 1 ATOM 2085 C CG . PRO A 1 262 ? 22.331 2.459 -28.656 1.00 28.69 ? 263 PRO A CG 1 ATOM 2086 C CD . PRO A 1 262 ? 23.245 1.472 -29.344 1.00 29.35 ? 263 PRO A CD 1 ATOM 2087 N N . GLY A 1 263 ? 20.030 -1.242 -27.050 1.00 30.81 ? 264 GLY A N 1 ATOM 2088 C CA . GLY A 1 263 ? 18.890 -2.143 -27.114 1.00 30.64 ? 264 GLY A CA 1 ATOM 2089 C C . GLY A 1 263 ? 17.684 -1.380 -27.597 1.00 30.98 ? 264 GLY A C 1 ATOM 2090 O O . GLY A 1 263 ? 17.559 -0.185 -27.301 1.00 30.68 ? 264 GLY A O 1 ATOM 2091 N N . ARG A 1 264 ? 16.779 -2.073 -28.269 1.00 32.34 ? 265 ARG A N 1 ATOM 2092 C CA . ARG A 1 264 ? 15.548 -1.525 -28.812 1.00 32.97 ? 265 ARG A CA 1 ATOM 2093 C C . ARG A 1 264 ? 14.713 -0.787 -27.849 1.00 29.31 ? 265 ARG A C 1 ATOM 2094 O O . ARG A 1 264 ? 14.078 0.141 -28.198 1.00 28.51 ? 265 ARG A O 1 ATOM 2095 C CB . ARG A 1 264 ? 14.686 -2.638 -29.357 1.00 37.65 ? 265 ARG A CB 1 ATOM 2096 C CG . ARG A 1 264 ? 13.359 -2.192 -29.946 1.00 43.15 ? 265 ARG A CG 1 ATOM 2097 C CD . ARG A 1 264 ? 12.531 -3.356 -30.433 1.00 47.71 ? 265 ARG A CD 1 ATOM 2098 N NE . ARG A 1 264 ? 13.410 -4.288 -31.102 1.00 56.63 ? 265 ARG A NE 1 ATOM 2099 C CZ . ARG A 1 264 ? 13.482 -5.587 -30.873 1.00 65.13 ? 265 ARG A CZ 1 ATOM 2100 N NH1 . ARG A 1 264 ? 12.658 -6.166 -30.030 1.00 70.18 ? 265 ARG A NH1 1 ATOM 2101 N NH2 . ARG A 1 264 ? 14.362 -6.313 -31.524 1.00 66.86 ? 265 ARG A NH2 1 ATOM 2102 N N . PHE A 1 265 ? 14.711 -1.242 -26.627 1.00 26.68 ? 266 PHE A N 1 ATOM 2103 C CA . PHE A 1 265 ? 13.859 -0.665 -25.582 1.00 27.29 ? 266 PHE A CA 1 ATOM 2104 C C . PHE A 1 265 ? 14.588 0.150 -24.508 1.00 26.91 ? 266 PHE A C 1 ATOM 2105 O O . PHE A 1 265 ? 14.091 1.171 -24.048 1.00 25.17 ? 266 PHE A O 1 ATOM 2106 C CB . PHE A 1 265 ? 13.093 -1.771 -24.890 1.00 27.85 ? 266 PHE A CB 1 ATOM 2107 C CG . PHE A 1 265 ? 12.221 -2.571 -25.803 1.00 28.09 ? 266 PHE A CG 1 ATOM 2108 C CD1 . PHE A 1 265 ? 12.487 -3.907 -26.035 1.00 29.32 ? 266 PHE A CD1 1 ATOM 2109 C CD2 . PHE A 1 265 ? 11.125 -1.986 -26.421 1.00 28.81 ? 266 PHE A CD2 1 ATOM 2110 C CE1 . PHE A 1 265 ? 11.676 -4.654 -26.873 1.00 30.42 ? 266 PHE A CE1 1 ATOM 2111 C CE2 . PHE A 1 265 ? 10.314 -2.714 -27.256 1.00 28.95 ? 266 PHE A CE2 1 ATOM 2112 C CZ . PHE A 1 265 ? 10.584 -4.055 -27.476 1.00 30.08 ? 266 PHE A CZ 1 ATOM 2113 N N . THR A 1 266 ? 15.761 -0.312 -24.097 1.00 28.42 ? 267 THR A N 1 ATOM 2114 C CA . THR A 1 266 ? 16.550 0.398 -23.076 1.00 29.18 ? 267 THR A CA 1 ATOM 2115 C C . THR A 1 266 ? 17.284 1.596 -23.675 1.00 32.03 ? 267 THR A C 1 ATOM 2116 O O . THR A 1 266 ? 17.469 2.615 -23.001 1.00 33.33 ? 267 THR A O 1 ATOM 2117 C CB . THR A 1 266 ? 17.548 -0.539 -22.353 1.00 26.27 ? 267 THR A CB 1 ATOM 2118 O OG1 . THR A 1 266 ? 18.329 -1.246 -23.312 1.00 25.72 ? 267 THR A OG1 1 ATOM 2119 C CG2 . THR A 1 266 ? 16.815 -1.553 -21.515 1.00 25.14 ? 267 THR A CG2 1 ATOM 2120 N N . LYS A 1 267 ? 17.712 1.465 -24.931 1.00 34.75 ? 268 LYS A N 1 ATOM 2121 C CA . LYS A 1 267 ? 18.314 2.574 -25.680 1.00 37.26 ? 268 LYS A CA 1 ATOM 2122 C C . LYS A 1 267 ? 19.467 3.233 -24.957 1.00 38.78 ? 268 LYS A C 1 ATOM 2123 O O . LYS A 1 267 ? 19.643 4.455 -25.010 1.00 35.30 ? 268 LYS A O 1 ATOM 2124 C CB . LYS A 1 267 ? 17.259 3.615 -26.038 1.00 38.29 ? 268 LYS A CB 1 ATOM 2125 C CG . LYS A 1 267 ? 16.450 3.225 -27.252 1.00 40.83 ? 268 LYS A CG 1 ATOM 2126 C CD . LYS A 1 267 ? 15.083 3.876 -27.239 1.00 41.78 ? 268 LYS A CD 1 ATOM 2127 C CE . LYS A 1 267 ? 14.450 3.780 -28.611 1.00 44.89 ? 268 LYS A CE 1 ATOM 2128 N NZ . LYS A 1 267 ? 13.102 4.404 -28.579 1.00 50.12 ? 268 LYS A NZ 1 ATOM 2129 N N . TRP A 1 268 ? 20.292 2.420 -24.343 1.00 44.11 ? 269 TRP A N 1 ATOM 2130 C CA . TRP A 1 268 ? 21.550 2.902 -23.853 1.00 50.55 ? 269 TRP A CA 1 ATOM 2131 C C . TRP A 1 268 ? 22.642 2.061 -24.410 1.00 44.68 ? 269 TRP A C 1 ATOM 2132 O O . TRP A 1 268 ? 22.548 0.882 -24.432 1.00 45.70 ? 269 TRP A O 1 ATOM 2133 C CB . TRP A 1 268 ? 21.617 2.983 -22.337 1.00 59.02 ? 269 TRP A CB 1 ATOM 2134 C CG . TRP A 1 268 ? 22.739 3.839 -21.972 1.00 77.48 ? 269 TRP A CG 1 ATOM 2135 C CD1 . TRP A 1 268 ? 23.834 3.477 -21.286 1.00 84.74 ? 269 TRP A CD1 1 ATOM 2136 C CD2 . TRP A 1 268 ? 22.943 5.202 -22.360 1.00 91.06 ? 269 TRP A CD2 1 ATOM 2137 N NE1 . TRP A 1 268 ? 24.706 4.518 -21.203 1.00 93.25 ? 269 TRP A NE1 1 ATOM 2138 C CE2 . TRP A 1 268 ? 24.178 5.590 -21.866 1.00 97.69 ? 269 TRP A CE2 1 ATOM 2139 C CE3 . TRP A 1 268 ? 22.198 6.123 -23.085 1.00 96.68 ? 269 TRP A CE3 1 ATOM 2140 C CZ2 . TRP A 1 268 ? 24.681 6.864 -22.044 1.00 101.68 ? 269 TRP A CZ2 1 ATOM 2141 C CZ3 . TRP A 1 268 ? 22.692 7.381 -23.262 1.00 101.58 ? 269 TRP A CZ3 1 ATOM 2142 C CH2 . TRP A 1 268 ? 23.919 7.747 -22.743 1.00 103.18 ? 269 TRP A CH2 1 ATOM 2143 N N . LYS A 1 269 ? 23.704 2.686 -24.845 1.00 43.63 ? 270 LYS A N 1 ATOM 2144 C CA . LYS A 1 269 ? 24.795 1.934 -25.354 1.00 44.72 ? 270 LYS A CA 1 ATOM 2145 C C . LYS A 1 269 ? 25.549 1.256 -24.284 1.00 40.33 ? 270 LYS A C 1 ATOM 2146 O O . LYS A 1 269 ? 26.001 1.862 -23.355 1.00 38.98 ? 270 LYS A O 1 ATOM 2147 C CB . LYS A 1 269 ? 25.749 2.809 -26.133 1.00 49.32 ? 270 LYS A CB 1 ATOM 2148 C CG . LYS A 1 269 ? 25.768 4.244 -25.709 1.00 55.24 ? 270 LYS A CG 1 ATOM 2149 C CD . LYS A 1 269 ? 27.156 4.819 -25.811 1.00 59.85 ? 270 LYS A CD 1 ATOM 2150 C CE . LYS A 1 269 ? 27.106 6.326 -25.758 1.00 64.69 ? 270 LYS A CE 1 ATOM 2151 N NZ . LYS A 1 269 ? 27.879 6.918 -26.876 1.00 67.01 ? 270 LYS A NZ 1 ATOM 2152 N N . GLY A 1 270 ? 25.734 -0.026 -24.468 1.00 39.76 ? 271 GLY A N 1 ATOM 2153 C CA . GLY A 1 270 ? 26.554 -0.818 -23.522 1.00 37.47 ? 271 GLY A CA 1 ATOM 2154 C C . GLY A 1 270 ? 25.782 -1.720 -22.562 1.00 34.26 ? 271 GLY A C 1 ATOM 2155 O O . GLY A 1 270 ? 26.380 -2.547 -21.888 1.00 30.14 ? 271 GLY A O 1 ATOM 2156 N N . ILE A 1 271 ? 24.461 -1.548 -22.509 1.00 32.31 ? 272 ILE A N 1 ATOM 2157 C CA . ILE A 1 271 ? 23.611 -2.261 -21.574 1.00 33.85 ? 272 ILE A CA 1 ATOM 2158 C C . ILE A 1 271 ? 22.463 -2.915 -22.333 1.00 32.38 ? 272 ILE A C 1 ATOM 2159 O O . ILE A 1 271 ? 22.021 -2.374 -23.345 1.00 33.51 ? 272 ILE A O 1 ATOM 2160 C CB . ILE A 1 271 ? 22.963 -1.290 -20.561 1.00 37.45 ? 272 ILE A CB 1 ATOM 2161 C CG1 . ILE A 1 271 ? 24.016 -0.512 -19.769 1.00 39.31 ? 272 ILE A CG1 1 ATOM 2162 C CG2 . ILE A 1 271 ? 22.036 -2.034 -19.605 1.00 37.11 ? 272 ILE A CG2 1 ATOM 2163 C CD1 . ILE A 1 271 ? 24.564 -1.264 -18.577 1.00 42.13 ? 272 ILE A CD1 1 ATOM 2164 N N . LEU A 1 272 ? 21.978 -4.052 -21.826 1.00 28.79 ? 273 LEU A N 1 ATOM 2165 C CA . LEU A 1 272 ? 20.737 -4.663 -22.290 1.00 27.42 ? 273 LEU A CA 1 ATOM 2166 C C . LEU A 1 272 ? 19.920 -5.195 -21.094 1.00 25.77 ? 273 LEU A C 1 ATOM 2167 O O . LEU A 1 272 ? 20.472 -5.596 -20.095 1.00 25.32 ? 273 LEU A O 1 ATOM 2168 C CB . LEU A 1 272 ? 21.029 -5.812 -23.246 1.00 27.88 ? 273 LEU A CB 1 ATOM 2169 C CG . LEU A 1 272 ? 21.849 -5.509 -24.501 1.00 30.17 ? 273 LEU A CG 1 ATOM 2170 C CD1 . LEU A 1 272 ? 22.105 -6.763 -25.352 1.00 29.93 ? 273 LEU A CD1 1 ATOM 2171 C CD2 . LEU A 1 272 ? 21.116 -4.492 -25.348 1.00 32.57 ? 273 LEU A CD2 1 ATOM 2172 N N . ALA A 1 273 ? 18.602 -5.183 -21.205 1.00 23.84 ? 274 ALA A N 1 ATOM 2173 C CA . ALA A 1 273 ? 17.760 -5.851 -20.257 1.00 23.03 ? 274 ALA A CA 1 ATOM 2174 C C . ALA A 1 273 ? 17.762 -7.340 -20.574 1.00 23.27 ? 274 ALA A C 1 ATOM 2175 O O . ALA A 1 273 ? 18.054 -7.749 -21.700 1.00 24.21 ? 274 ALA A O 1 ATOM 2176 C CB . ALA A 1 273 ? 16.355 -5.316 -20.363 1.00 22.80 ? 274 ALA A CB 1 ATOM 2177 N N . TYR A 1 274 ? 17.406 -8.158 -19.600 1.00 21.93 ? 275 TYR A N 1 ATOM 2178 C CA . TYR A 1 274 ? 17.316 -9.578 -19.860 1.00 22.76 ? 275 TYR A CA 1 ATOM 2179 C C . TYR A 1 274 ? 16.303 -9.875 -20.951 1.00 24.26 ? 275 TYR A C 1 ATOM 2180 O O . TYR A 1 274 ? 16.438 -10.869 -21.669 1.00 26.28 ? 275 TYR A O 1 ATOM 2181 C CB . TYR A 1 274 ? 16.930 -10.360 -18.606 1.00 22.67 ? 275 TYR A CB 1 ATOM 2182 C CG . TYR A 1 274 ? 16.931 -11.855 -18.769 1.00 21.87 ? 275 TYR A CG 1 ATOM 2183 C CD1 . TYR A 1 274 ? 18.099 -12.537 -19.104 1.00 23.00 ? 275 TYR A CD1 1 ATOM 2184 C CD2 . TYR A 1 274 ? 15.792 -12.589 -18.537 1.00 21.81 ? 275 TYR A CD2 1 ATOM 2185 C CE1 . TYR A 1 274 ? 18.117 -13.925 -19.243 1.00 23.26 ? 275 TYR A CE1 1 ATOM 2186 C CE2 . TYR A 1 274 ? 15.791 -13.973 -18.662 1.00 22.98 ? 275 TYR A CE2 1 ATOM 2187 C CZ . TYR A 1 274 ? 16.957 -14.648 -19.013 1.00 23.28 ? 275 TYR A CZ 1 ATOM 2188 O OH . TYR A 1 274 ? 16.956 -16.034 -19.146 1.00 23.27 ? 275 TYR A OH 1 ATOM 2189 N N . TYR A 1 275 ? 15.269 -9.047 -21.069 1.00 24.57 ? 276 TYR A N 1 ATOM 2190 C CA . TYR A 1 275 ? 14.208 -9.351 -22.022 1.00 23.64 ? 276 TYR A CA 1 ATOM 2191 C C . TYR A 1 275 ? 14.703 -9.033 -23.433 1.00 23.96 ? 276 TYR A C 1 ATOM 2192 O O . TYR A 1 275 ? 14.319 -9.681 -24.381 1.00 24.12 ? 276 TYR A O 1 ATOM 2193 C CB . TYR A 1 275 ? 12.881 -8.656 -21.650 1.00 23.12 ? 276 TYR A CB 1 ATOM 2194 C CG . TYR A 1 275 ? 12.906 -7.143 -21.522 1.00 22.30 ? 276 TYR A CG 1 ATOM 2195 C CD1 . TYR A 1 275 ? 12.932 -6.329 -22.651 1.00 21.91 ? 276 TYR A CD1 1 ATOM 2196 C CD2 . TYR A 1 275 ? 12.872 -6.524 -20.274 1.00 22.23 ? 276 TYR A CD2 1 ATOM 2197 C CE1 . TYR A 1 275 ? 12.954 -4.952 -22.539 1.00 21.35 ? 276 TYR A CE1 1 ATOM 2198 C CE2 . TYR A 1 275 ? 12.890 -5.146 -20.162 1.00 21.96 ? 276 TYR A CE2 1 ATOM 2199 C CZ . TYR A 1 275 ? 12.927 -4.377 -21.305 1.00 21.10 ? 276 TYR A CZ 1 ATOM 2200 O OH . TYR A 1 275 ? 12.954 -3.022 -21.217 1.00 22.15 ? 276 TYR A OH 1 ATOM 2201 N N . GLU A 1 276 ? 15.600 -8.061 -23.544 1.00 24.92 ? 277 GLU A N 1 ATOM 2202 C CA . GLU A 1 276 ? 16.234 -7.717 -24.811 1.00 25.38 ? 277 GLU A CA 1 ATOM 2203 C C . GLU A 1 276 ? 17.279 -8.752 -25.120 1.00 26.60 ? 277 GLU A C 1 ATOM 2204 O O . GLU A 1 276 ? 17.593 -9.005 -26.268 1.00 27.79 ? 277 GLU A O 1 ATOM 2205 C CB . GLU A 1 276 ? 16.905 -6.341 -24.715 1.00 25.50 ? 277 GLU A CB 1 ATOM 2206 C CG . GLU A 1 276 ? 15.935 -5.178 -24.608 1.00 25.29 ? 277 GLU A CG 1 ATOM 2207 C CD . GLU A 1 276 ? 16.622 -3.829 -24.443 1.00 26.70 ? 277 GLU A CD 1 ATOM 2208 O OE1 . GLU A 1 276 ? 17.573 -3.726 -23.629 1.00 26.97 ? 277 GLU A OE1 1 ATOM 2209 O OE2 . GLU A 1 276 ? 16.201 -2.854 -25.125 1.00 27.08 ? 277 GLU A OE2 1 ATOM 2210 N N . ILE A 1 277 ? 17.833 -9.342 -24.068 1.00 28.93 ? 278 ILE A N 1 ATOM 2211 C CA . ILE A 1 277 ? 18.882 -10.373 -24.189 1.00 29.55 ? 278 ILE A CA 1 ATOM 2212 C C . ILE A 1 277 ? 18.313 -11.729 -24.635 1.00 28.93 ? 278 ILE A C 1 ATOM 2213 O O . ILE A 1 277 ? 18.893 -12.405 -25.475 1.00 28.50 ? 278 ILE A O 1 ATOM 2214 C CB . ILE A 1 277 ? 19.693 -10.460 -22.864 1.00 29.32 ? 278 ILE A CB 1 ATOM 2215 C CG1 . ILE A 1 277 ? 20.808 -9.412 -22.868 1.00 28.73 ? 278 ILE A CG1 1 ATOM 2216 C CG2 . ILE A 1 277 ? 20.286 -11.841 -22.641 1.00 30.19 ? 278 ILE A CG2 1 ATOM 2217 C CD1 . ILE A 1 277 ? 21.336 -9.097 -21.490 1.00 29.36 ? 278 ILE A CD1 1 ATOM 2218 N N . CYS A 1 278 ? 17.170 -12.110 -24.090 1.00 30.11 ? 279 CYS A N 1 ATOM 2219 C CA . CYS A 1 278 ? 16.462 -13.297 -24.562 1.00 33.30 ? 279 CYS A CA 1 ATOM 2220 C C . CYS A 1 278 ? 16.199 -13.261 -26.068 1.00 34.32 ? 279 CYS A C 1 ATOM 2221 O O . CYS A 1 278 ? 16.097 -14.304 -26.729 1.00 31.44 ? 279 CYS A O 1 ATOM 2222 C CB . CYS A 1 278 ? 15.133 -13.430 -23.835 1.00 35.10 ? 279 CYS A CB 1 ATOM 2223 S SG . CYS A 1 278 ? 15.322 -13.934 -22.112 1.00 38.12 ? 279 CYS A SG 1 ATOM 2224 N N . ASP A 1 279 ? 16.060 -12.056 -26.608 1.00 35.19 ? 280 ASP A N 1 ATOM 2225 C CA . ASP A 1 279 ? 15.739 -11.934 -28.001 1.00 37.35 ? 280 ASP A CA 1 ATOM 2226 C C . ASP A 1 279 ? 16.990 -12.000 -28.845 1.00 34.44 ? 280 ASP A C 1 ATOM 2227 O O . ASP A 1 279 ? 17.011 -12.633 -29.902 1.00 34.31 ? 280 ASP A O 1 ATOM 2228 C CB . ASP A 1 279 ? 15.011 -10.636 -28.275 1.00 40.91 ? 280 ASP A CB 1 ATOM 2229 C CG . ASP A 1 279 ? 14.627 -10.516 -29.724 1.00 45.44 ? 280 ASP A CG 1 ATOM 2230 O OD1 . ASP A 1 279 ? 14.355 -11.567 -30.364 1.00 50.30 ? 280 ASP A OD1 1 ATOM 2231 O OD2 . ASP A 1 279 ? 14.642 -9.384 -30.241 1.00 46.71 ? 280 ASP A OD2 1 ATOM 2232 N N . PHE A 1 280 ? 18.015 -11.303 -28.378 1.00 32.15 ? 281 PHE A N 1 ATOM 2233 C CA . PHE A 1 280 ? 19.365 -11.384 -28.945 1.00 30.90 ? 281 PHE A CA 1 ATOM 2234 C C . PHE A 1 280 ? 19.851 -12.825 -29.092 1.00 32.20 ? 281 PHE A C 1 ATOM 2235 O O . PHE A 1 280 ? 20.548 -13.151 -30.051 1.00 32.40 ? 281 PHE A O 1 ATOM 2236 C CB . PHE A 1 280 ? 20.332 -10.620 -28.039 1.00 28.71 ? 281 PHE A CB 1 ATOM 2237 C CG . PHE A 1 280 ? 21.752 -10.550 -28.540 1.00 27.25 ? 281 PHE A CG 1 ATOM 2238 C CD1 . PHE A 1 280 ? 22.215 -9.418 -29.200 1.00 26.68 ? 281 PHE A CD1 1 ATOM 2239 C CD2 . PHE A 1 280 ? 22.649 -11.583 -28.288 1.00 27.58 ? 281 PHE A CD2 1 ATOM 2240 C CE1 . PHE A 1 280 ? 23.532 -9.330 -29.621 1.00 26.47 ? 281 PHE A CE1 1 ATOM 2241 C CE2 . PHE A 1 280 ? 23.970 -11.506 -28.720 1.00 26.81 ? 281 PHE A CE2 1 ATOM 2242 C CZ . PHE A 1 280 ? 24.409 -10.374 -29.382 1.00 26.54 ? 281 PHE A CZ 1 ATOM 2243 N N . LEU A 1 281 ? 19.505 -13.676 -28.122 1.00 33.20 ? 282 LEU A N 1 ATOM 2244 C CA . LEU A 1 281 ? 19.981 -15.073 -28.100 1.00 32.08 ? 282 LEU A CA 1 ATOM 2245 C C . LEU A 1 281 ? 19.524 -15.885 -29.322 1.00 31.13 ? 282 LEU A C 1 ATOM 2246 O O . LEU A 1 281 ? 20.172 -16.868 -29.682 1.00 27.53 ? 282 LEU A O 1 ATOM 2247 C CB . LEU A 1 281 ? 19.559 -15.758 -26.789 1.00 32.81 ? 282 LEU A CB 1 ATOM 2248 C CG . LEU A 1 281 ? 20.586 -15.943 -25.646 1.00 33.09 ? 282 LEU A CG 1 ATOM 2249 C CD1 . LEU A 1 281 ? 21.625 -14.825 -25.534 1.00 32.43 ? 282 LEU A CD1 1 ATOM 2250 C CD2 . LEU A 1 281 ? 19.855 -16.138 -24.319 1.00 31.95 ? 282 LEU A CD2 1 ATOM 2251 N N . HIS A 1 282 ? 18.484 -15.430 -29.974 1.00 31.82 ? 283 HIS A N 1 ATOM 2252 C CA . HIS A 1 282 ? 18.062 -15.984 -31.226 1.00 33.72 ? 283 HIS A CA 1 ATOM 2253 C C . HIS A 1 282 ? 19.025 -15.746 -32.345 1.00 31.24 ? 283 HIS A C 1 ATOM 2254 O O . HIS A 1 282 ? 19.167 -14.665 -32.859 1.00 26.91 ? 283 HIS A O 1 ATOM 2255 C CB . HIS A 1 282 ? 16.695 -15.491 -31.574 1.00 37.85 ? 283 HIS A CB 1 ATOM 2256 C CG . HIS A 1 282 ? 15.656 -15.981 -30.643 1.00 44.67 ? 283 HIS A CG 1 ATOM 2257 N ND1 . HIS A 1 282 ? 14.445 -15.363 -30.483 1.00 50.11 ? 283 HIS A ND1 1 ATOM 2258 C CD2 . HIS A 1 282 ? 15.658 -17.028 -29.799 1.00 47.94 ? 283 HIS A CD2 1 ATOM 2259 C CE1 . HIS A 1 282 ? 13.746 -16.004 -29.572 1.00 51.08 ? 283 HIS A CE1 1 ATOM 2260 N NE2 . HIS A 1 282 ? 14.456 -17.024 -29.149 1.00 51.88 ? 283 HIS A NE2 1 ATOM 2261 N N . GLY A 1 283 ? 19.680 -16.819 -32.708 1.00 30.53 ? 284 GLY A N 1 ATOM 2262 C CA . GLY A 1 283 ? 20.738 -16.785 -33.670 1.00 31.25 ? 284 GLY A CA 1 ATOM 2263 C C . GLY A 1 283 ? 22.093 -16.377 -33.129 1.00 31.48 ? 284 GLY A C 1 ATOM 2264 O O . GLY A 1 283 ? 22.989 -16.100 -33.921 1.00 32.29 ? 284 GLY A O 1 ATOM 2265 N N . ALA A 1 284 ? 22.268 -16.322 -31.808 1.00 31.32 ? 285 ALA A N 1 ATOM 2266 C CA . ALA A 1 284 ? 23.597 -16.013 -31.249 1.00 31.39 ? 285 ALA A CA 1 ATOM 2267 C C . ALA A 1 284 ? 24.346 -17.291 -30.912 1.00 32.41 ? 285 ALA A C 1 ATOM 2268 O O . ALA A 1 284 ? 23.741 -18.352 -30.804 1.00 32.62 ? 285 ALA A O 1 ATOM 2269 C CB . ALA A 1 284 ? 23.474 -15.124 -30.033 1.00 30.98 ? 285 ALA A CB 1 ATOM 2270 N N . THR A 1 285 ? 25.662 -17.204 -30.765 1.00 34.87 ? 286 THR A N 1 ATOM 2271 C CA . THR A 1 285 ? 26.454 -18.347 -30.271 1.00 38.39 ? 286 THR A CA 1 ATOM 2272 C C . THR A 1 285 ? 26.620 -18.234 -28.744 1.00 38.46 ? 286 THR A C 1 ATOM 2273 O O . THR A 1 285 ? 27.180 -17.251 -28.265 1.00 40.99 ? 286 THR A O 1 ATOM 2274 C CB . THR A 1 285 ? 27.859 -18.411 -30.929 1.00 40.18 ? 286 THR A CB 1 ATOM 2275 O OG1 . THR A 1 285 ? 27.731 -18.564 -32.345 1.00 37.39 ? 286 THR A OG1 1 ATOM 2276 C CG2 . THR A 1 285 ? 28.663 -19.597 -30.395 1.00 41.27 ? 286 THR A CG2 1 ATOM 2277 N N . THR A 1 286 ? 26.156 -19.234 -27.990 1.00 37.14 ? 287 THR A N 1 ATOM 2278 C CA . THR A 1 286 ? 26.244 -19.206 -26.515 1.00 36.54 ? 287 THR A CA 1 ATOM 2279 C C . THR A 1 286 ? 27.474 -19.923 -25.928 1.00 36.24 ? 287 THR A C 1 ATOM 2280 O O . THR A 1 286 ? 27.863 -20.996 -26.390 1.00 33.95 ? 287 THR A O 1 ATOM 2281 C CB . THR A 1 286 ? 25.003 -19.851 -25.879 1.00 35.16 ? 287 THR A CB 1 ATOM 2282 O OG1 . THR A 1 286 ? 24.817 -21.163 -26.427 1.00 34.49 ? 287 THR A OG1 1 ATOM 2283 C CG2 . THR A 1 286 ? 23.794 -19.013 -26.138 1.00 34.53 ? 287 THR A CG2 1 ATOM 2284 N N . HIS A 1 287 ? 28.049 -19.331 -24.885 1.00 38.28 ? 288 HIS A N 1 ATOM 2285 C CA . HIS A 1 287 ? 29.192 -19.909 -24.171 1.00 42.48 ? 288 HIS A CA 1 ATOM 2286 C C . HIS A 1 287 ? 29.064 -19.694 -22.662 1.00 40.82 ? 288 HIS A C 1 ATOM 2287 O O . HIS A 1 287 ? 28.314 -18.843 -22.206 1.00 39.55 ? 288 HIS A O 1 ATOM 2288 C CB . HIS A 1 287 ? 30.497 -19.274 -24.664 1.00 48.06 ? 288 HIS A CB 1 ATOM 2289 C CG . HIS A 1 287 ? 30.795 -19.533 -26.114 1.00 56.83 ? 288 HIS A CG 1 ATOM 2290 N ND1 . HIS A 1 287 ? 30.943 -20.807 -26.634 1.00 60.68 ? 288 HIS A ND1 1 ATOM 2291 C CD2 . HIS A 1 287 ? 30.984 -18.681 -27.152 1.00 59.17 ? 288 HIS A CD2 1 ATOM 2292 C CE1 . HIS A 1 287 ? 31.202 -20.726 -27.929 1.00 61.53 ? 288 HIS A CE1 1 ATOM 2293 N NE2 . HIS A 1 287 ? 31.233 -19.447 -28.267 1.00 62.07 ? 288 HIS A NE2 1 ATOM 2294 N N . ARG A 1 288 ? 29.812 -20.455 -21.881 1.00 42.23 ? 289 ARG A N 1 ATOM 2295 C CA . ARG A 1 288 ? 29.774 -20.302 -20.430 1.00 41.90 ? 289 ARG A CA 1 ATOM 2296 C C . ARG A 1 288 ? 31.173 -20.385 -19.819 1.00 42.31 ? 289 ARG A C 1 ATOM 2297 O O . ARG A 1 288 ? 31.833 -21.416 -19.906 1.00 43.07 ? 289 ARG A O 1 ATOM 2298 C CB . ARG A 1 288 ? 28.869 -21.367 -19.836 1.00 41.29 ? 289 ARG A CB 1 ATOM 2299 C CG . ARG A 1 288 ? 28.723 -21.278 -18.315 1.00 45.46 ? 289 ARG A CG 1 ATOM 2300 C CD . ARG A 1 288 ? 27.547 -22.111 -17.780 1.00 43.90 ? 289 ARG A CD 1 ATOM 2301 N NE . ARG A 1 288 ? 26.288 -21.569 -18.285 1.00 40.30 ? 289 ARG A NE 1 ATOM 2302 C CZ . ARG A 1 288 ? 25.387 -20.902 -17.571 1.00 41.39 ? 289 ARG A CZ 1 ATOM 2303 N NH1 . ARG A 1 288 ? 25.519 -20.697 -16.257 1.00 41.25 ? 289 ARG A NH1 1 ATOM 2304 N NH2 . ARG A 1 288 ? 24.316 -20.444 -18.190 1.00 41.54 ? 289 ARG A NH2 1 ATOM 2305 N N . PHE A 1 289 ? 31.644 -19.329 -19.194 1.00 40.83 ? 290 PHE A N 1 ATOM 2306 C CA . PHE A 1 289 ? 32.903 -19.410 -18.516 1.00 39.90 ? 290 PHE A CA 1 ATOM 2307 C C . PHE A 1 289 ? 32.728 -20.481 -17.504 1.00 40.46 ? 290 PHE A C 1 ATOM 2308 O O . PHE A 1 289 ? 31.951 -20.355 -16.624 1.00 36.10 ? 290 PHE A O 1 ATOM 2309 C CB . PHE A 1 289 ? 33.227 -18.122 -17.802 1.00 40.41 ? 290 PHE A CB 1 ATOM 2310 C CG . PHE A 1 289 ? 33.462 -16.967 -18.710 1.00 41.45 ? 290 PHE A CG 1 ATOM 2311 C CD1 . PHE A 1 289 ? 34.499 -16.960 -19.585 1.00 43.94 ? 290 PHE A CD1 1 ATOM 2312 C CD2 . PHE A 1 289 ? 32.631 -15.893 -18.686 1.00 43.12 ? 290 PHE A CD2 1 ATOM 2313 C CE1 . PHE A 1 289 ? 34.704 -15.895 -20.423 1.00 45.50 ? 290 PHE A CE1 1 ATOM 2314 C CE2 . PHE A 1 289 ? 32.818 -14.829 -19.519 1.00 45.11 ? 290 PHE A CE2 1 ATOM 2315 C CZ . PHE A 1 289 ? 33.862 -14.825 -20.386 1.00 46.99 ? 290 PHE A CZ 1 ATOM 2316 N N . ARG A 1 290 ? 33.477 -21.553 -17.620 1.00 47.15 ? 291 ARG A N 1 ATOM 2317 C CA . ARG A 1 290 ? 33.370 -22.662 -16.696 1.00 51.48 ? 291 ARG A CA 1 ATOM 2318 C C . ARG A 1 290 ? 33.786 -22.251 -15.343 1.00 45.49 ? 291 ARG A C 1 ATOM 2319 O O . ARG A 1 290 ? 33.082 -22.376 -14.394 1.00 43.99 ? 291 ARG A O 1 ATOM 2320 C CB . ARG A 1 290 ? 34.301 -23.780 -17.121 1.00 56.53 ? 291 ARG A CB 1 ATOM 2321 C CG . ARG A 1 290 ? 33.695 -25.163 -17.006 1.00 61.99 ? 291 ARG A CG 1 ATOM 2322 C CD . ARG A 1 290 ? 34.378 -25.986 -15.935 1.00 66.82 ? 291 ARG A CD 1 ATOM 2323 N NE . ARG A 1 290 ? 35.713 -26.392 -16.335 1.00 71.21 ? 291 ARG A NE 1 ATOM 2324 C CZ . ARG A 1 290 ? 36.582 -27.018 -15.555 1.00 73.76 ? 291 ARG A CZ 1 ATOM 2325 N NH1 . ARG A 1 290 ? 36.279 -27.322 -14.308 1.00 70.24 ? 291 ARG A NH1 1 ATOM 2326 N NH2 . ARG A 1 290 ? 37.764 -27.346 -16.040 1.00 74.33 ? 291 ARG A NH2 1 ATOM 2327 N N . ASP A 1 291 ? 34.971 -21.714 -15.293 1.00 41.71 ? 292 ASP A N 1 ATOM 2328 C CA . ASP A 1 291 ? 35.574 -21.112 -14.136 1.00 40.94 ? 292 ASP A CA 1 ATOM 2329 C C . ASP A 1 291 ? 34.741 -20.112 -13.371 1.00 35.43 ? 292 ASP A C 1 ATOM 2330 O O . ASP A 1 291 ? 34.526 -20.251 -12.218 1.00 31.32 ? 292 ASP A O 1 ATOM 2331 C CB . ASP A 1 291 ? 36.788 -20.383 -14.655 1.00 46.17 ? 292 ASP A CB 1 ATOM 2332 C CG . ASP A 1 291 ? 36.455 -19.481 -15.806 1.00 50.77 ? 292 ASP A CG 1 ATOM 2333 O OD1 . ASP A 1 291 ? 37.184 -19.438 -16.787 1.00 57.62 ? 292 ASP A OD1 1 ATOM 2334 O OD2 . ASP A 1 291 ? 35.443 -18.798 -15.713 1.00 47.21 ? 292 ASP A OD2 1 ATOM 2335 N N . GLN A 1 292 ? 34.320 -19.080 -14.056 1.00 33.66 ? 293 GLN A N 1 ATOM 2336 C CA . GLN A 1 292 ? 33.598 -17.938 -13.487 1.00 34.68 ? 293 GLN A CA 1 ATOM 2337 C C . GLN A 1 292 ? 32.078 -18.163 -13.343 1.00 35.86 ? 293 GLN A C 1 ATOM 2338 O O . GLN A 1 292 ? 31.378 -17.394 -12.659 1.00 35.93 ? 293 GLN A O 1 ATOM 2339 C CB . GLN A 1 292 ? 33.826 -16.713 -14.372 1.00 35.60 ? 293 GLN A CB 1 ATOM 2340 C CG . GLN A 1 292 ? 35.266 -16.230 -14.399 1.00 37.77 ? 293 GLN A CG 1 ATOM 2341 C CD . GLN A 1 292 ? 35.561 -15.274 -15.541 1.00 40.52 ? 293 GLN A CD 1 ATOM 2342 O OE1 . GLN A 1 292 ? 35.630 -14.055 -15.355 1.00 40.49 ? 293 GLN A OE1 1 ATOM 2343 N NE2 . GLN A 1 292 ? 35.751 -15.826 -16.734 1.00 42.47 ? 293 GLN A NE2 1 ATOM 2344 N N . GLN A 1 293 ? 31.583 -19.196 -14.031 1.00 35.15 ? 294 GLN A N 1 ATOM 2345 C CA . GLN A 1 293 ? 30.209 -19.708 -13.912 1.00 31.80 ? 294 GLN A CA 1 ATOM 2346 C C . GLN A 1 293 ? 29.154 -18.706 -14.324 1.00 30.46 ? 294 GLN A C 1 ATOM 2347 O O . GLN A 1 293 ? 28.081 -18.622 -13.730 1.00 30.87 ? 294 GLN A O 1 ATOM 2348 C CB . GLN A 1 293 ? 29.952 -20.214 -12.506 1.00 31.25 ? 294 GLN A CB 1 ATOM 2349 C CG . GLN A 1 293 ? 31.118 -21.021 -11.995 1.00 31.43 ? 294 GLN A CG 1 ATOM 2350 C CD . GLN A 1 293 ? 30.830 -21.760 -10.723 1.00 30.94 ? 294 GLN A CD 1 ATOM 2351 O OE1 . GLN A 1 293 ? 31.441 -22.766 -10.478 1.00 32.01 ? 294 GLN A OE1 1 ATOM 2352 N NE2 . GLN A 1 293 ? 29.929 -21.259 -9.899 1.00 30.50 ? 294 GLN A NE2 1 ATOM 2353 N N . VAL A 1 294 ? 29.456 -17.967 -15.375 1.00 29.51 ? 295 VAL A N 1 ATOM 2354 C CA . VAL A 1 294 ? 28.497 -17.033 -15.955 1.00 29.05 ? 295 VAL A CA 1 ATOM 2355 C C . VAL A 1 294 ? 28.535 -17.137 -17.491 1.00 28.22 ? 295 VAL A C 1 ATOM 2356 O O . VAL A 1 294 ? 29.580 -17.482 -18.063 1.00 29.77 ? 295 VAL A O 1 ATOM 2357 C CB . VAL A 1 294 ? 28.789 -15.593 -15.477 1.00 28.30 ? 295 VAL A CB 1 ATOM 2358 C CG1 . VAL A 1 294 ? 28.336 -15.410 -14.035 1.00 27.46 ? 295 VAL A CG1 1 ATOM 2359 C CG2 . VAL A 1 294 ? 30.273 -15.268 -15.619 1.00 27.57 ? 295 VAL A CG2 1 ATOM 2360 N N . PRO A 1 295 ? 27.404 -16.872 -18.160 1.00 26.77 ? 296 PRO A N 1 ATOM 2361 C CA . PRO A 1 295 ? 27.348 -16.995 -19.607 1.00 27.25 ? 296 PRO A CA 1 ATOM 2362 C C . PRO A 1 295 ? 27.650 -15.696 -20.336 1.00 28.91 ? 296 PRO A C 1 ATOM 2363 O O . PRO A 1 295 ? 27.441 -14.608 -19.781 1.00 27.58 ? 296 PRO A O 1 ATOM 2364 C CB . PRO A 1 295 ? 25.900 -17.366 -19.855 1.00 27.59 ? 296 PRO A CB 1 ATOM 2365 C CG . PRO A 1 295 ? 25.168 -16.568 -18.817 1.00 28.59 ? 296 PRO A CG 1 ATOM 2366 C CD . PRO A 1 295 ? 26.064 -16.634 -17.594 1.00 28.70 ? 296 PRO A CD 1 ATOM 2367 N N . TYR A 1 296 ? 28.163 -15.833 -21.565 1.00 31.18 ? 297 TYR A N 1 ATOM 2368 C CA . TYR A 1 296 ? 28.158 -14.755 -22.564 1.00 32.51 ? 297 TYR A CA 1 ATOM 2369 C C . TYR A 1 296 ? 27.533 -15.268 -23.859 1.00 31.34 ? 297 TYR A C 1 ATOM 2370 O O . TYR A 1 296 ? 27.281 -16.460 -24.028 1.00 28.87 ? 297 TYR A O 1 ATOM 2371 C CB . TYR A 1 296 ? 29.563 -14.139 -22.825 1.00 34.83 ? 297 TYR A CB 1 ATOM 2372 C CG . TYR A 1 296 ? 30.646 -15.087 -23.378 1.00 36.06 ? 297 TYR A CG 1 ATOM 2373 C CD1 . TYR A 1 296 ? 31.411 -15.869 -22.519 1.00 35.65 ? 297 TYR A CD1 1 ATOM 2374 C CD2 . TYR A 1 296 ? 30.923 -15.164 -24.741 1.00 36.54 ? 297 TYR A CD2 1 ATOM 2375 C CE1 . TYR A 1 296 ? 32.384 -16.724 -22.988 1.00 35.38 ? 297 TYR A CE1 1 ATOM 2376 C CE2 . TYR A 1 296 ? 31.915 -16.015 -25.219 1.00 37.21 ? 297 TYR A CE2 1 ATOM 2377 C CZ . TYR A 1 296 ? 32.640 -16.797 -24.328 1.00 37.01 ? 297 TYR A CZ 1 ATOM 2378 O OH . TYR A 1 296 ? 33.631 -17.667 -24.747 1.00 36.98 ? 297 TYR A OH 1 ATOM 2379 N N . ALA A 1 297 ? 27.261 -14.339 -24.763 1.00 33.28 ? 298 ALA A N 1 ATOM 2380 C CA . ALA A 1 297 ? 26.723 -14.673 -26.071 1.00 33.04 ? 298 ALA A CA 1 ATOM 2381 C C . ALA A 1 297 ? 27.248 -13.718 -27.110 1.00 31.82 ? 298 ALA A C 1 ATOM 2382 O O . ALA A 1 297 ? 27.586 -12.583 -26.814 1.00 29.95 ? 298 ALA A O 1 ATOM 2383 C CB . ALA A 1 297 ? 25.209 -14.612 -26.035 1.00 34.56 ? 298 ALA A CB 1 ATOM 2384 N N . THR A 1 298 ? 27.281 -14.173 -28.350 1.00 34.23 ? 299 THR A N 1 ATOM 2385 C CA . THR A 1 298 ? 27.803 -13.345 -29.421 1.00 35.36 ? 299 THR A CA 1 ATOM 2386 C C . THR A 1 298 ? 27.259 -13.673 -30.821 1.00 34.82 ? 299 THR A C 1 ATOM 2387 O O . THR A 1 298 ? 26.992 -14.827 -31.169 1.00 32.80 ? 299 THR A O 1 ATOM 2388 C CB . THR A 1 298 ? 29.340 -13.383 -29.396 1.00 37.57 ? 299 THR A CB 1 ATOM 2389 O OG1 . THR A 1 298 ? 29.871 -12.417 -30.314 1.00 42.12 ? 299 THR A OG1 1 ATOM 2390 C CG2 . THR A 1 298 ? 29.861 -14.780 -29.705 1.00 37.05 ? 299 THR A CG2 1 ATOM 2391 N N . LYS A 1 299 ? 27.113 -12.612 -31.608 1.00 37.28 ? 300 LYS A N 1 ATOM 2392 C CA . LYS A 1 299 ? 26.491 -12.654 -32.925 1.00 37.20 ? 300 LYS A CA 1 ATOM 2393 C C . LYS A 1 299 ? 26.781 -11.309 -33.635 1.00 35.88 ? 300 LYS A C 1 ATOM 2394 O O . LYS A 1 299 ? 26.724 -10.229 -33.006 1.00 33.07 ? 300 LYS A O 1 ATOM 2395 C CB . LYS A 1 299 ? 24.998 -12.943 -32.762 1.00 39.35 ? 300 LYS A CB 1 ATOM 2396 C CG . LYS A 1 299 ? 24.068 -12.247 -33.739 1.00 43.06 ? 300 LYS A CG 1 ATOM 2397 C CD . LYS A 1 299 ? 22.883 -11.582 -33.037 1.00 45.10 ? 300 LYS A CD 1 ATOM 2398 C CE . LYS A 1 299 ? 21.708 -12.526 -32.843 1.00 44.75 ? 300 LYS A CE 1 ATOM 2399 N NZ . LYS A 1 299 ? 20.461 -11.712 -32.715 1.00 44.97 ? 300 LYS A NZ 1 ATOM 2400 N N . GLY A 1 300 ? 27.111 -11.397 -34.933 1.00 33.92 ? 301 GLY A N 1 ATOM 2401 C CA . GLY A 1 300 ? 27.620 -10.248 -35.716 1.00 31.36 ? 301 GLY A CA 1 ATOM 2402 C C . GLY A 1 300 ? 28.908 -9.724 -35.121 1.00 28.87 ? 301 GLY A C 1 ATOM 2403 O O . GLY A 1 300 ? 29.810 -10.484 -34.816 1.00 30.36 ? 301 GLY A O 1 ATOM 2404 N N . ASN A 1 301 ? 28.992 -8.430 -34.901 1.00 27.04 ? 302 ASN A N 1 ATOM 2405 C CA . ASN A 1 301 ? 30.107 -7.903 -34.141 1.00 26.69 ? 302 ASN A CA 1 ATOM 2406 C C . ASN A 1 301 ? 29.699 -7.563 -32.704 1.00 25.41 ? 302 ASN A C 1 ATOM 2407 O O . ASN A 1 301 ? 30.318 -6.707 -32.069 1.00 24.83 ? 302 ASN A O 1 ATOM 2408 C CB . ASN A 1 301 ? 30.680 -6.674 -34.832 1.00 26.80 ? 302 ASN A CB 1 ATOM 2409 C CG . ASN A 1 301 ? 29.747 -5.514 -34.776 1.00 27.81 ? 302 ASN A CG 1 ATOM 2410 O OD1 . ASN A 1 301 ? 28.580 -5.669 -34.420 1.00 25.86 ? 302 ASN A OD1 1 ATOM 2411 N ND2 . ASN A 1 301 ? 30.253 -4.329 -35.109 1.00 30.22 ? 302 ASN A ND2 1 ATOM 2412 N N . GLN A 1 302 ? 28.666 -8.244 -32.202 1.00 24.55 ? 303 GLN A N 1 ATOM 2413 C CA . GLN A 1 302 ? 28.159 -8.004 -30.859 1.00 23.95 ? 303 GLN A CA 1 ATOM 2414 C C . GLN A 1 302 ? 28.480 -9.162 -29.914 1.00 23.98 ? 303 GLN A C 1 ATOM 2415 O O . GLN A 1 302 ? 28.194 -10.325 -30.217 1.00 21.59 ? 303 GLN A O 1 ATOM 2416 C CB . GLN A 1 302 ? 26.648 -7.774 -30.887 1.00 23.75 ? 303 GLN A CB 1 ATOM 2417 C CG . GLN A 1 302 ? 26.219 -6.550 -31.667 1.00 23.51 ? 303 GLN A CG 1 ATOM 2418 C CD . GLN A 1 302 ? 26.809 -5.302 -31.118 1.00 23.49 ? 303 GLN A CD 1 ATOM 2419 O OE1 . GLN A 1 302 ? 27.543 -4.596 -31.790 1.00 24.16 ? 303 GLN A OE1 1 ATOM 2420 N NE2 . GLN A 1 302 ? 26.534 -5.044 -29.871 1.00 25.19 ? 303 GLN A NE2 1 ATOM 2421 N N . TRP A 1 303 ? 29.042 -8.793 -28.757 1.00 24.32 ? 304 TRP A N 1 ATOM 2422 C CA . TRP A 1 303 ? 29.422 -9.706 -27.684 1.00 24.31 ? 304 TRP A CA 1 ATOM 2423 C C . TRP A 1 303 ? 28.758 -9.252 -26.368 1.00 24.35 ? 304 TRP A C 1 ATOM 2424 O O . TRP A 1 303 ? 28.886 -8.065 -25.958 1.00 23.28 ? 304 TRP A O 1 ATOM 2425 C CB . TRP A 1 303 ? 30.944 -9.678 -27.530 1.00 24.31 ? 304 TRP A CB 1 ATOM 2426 C CG . TRP A 1 303 ? 31.529 -10.798 -26.750 1.00 23.94 ? 304 TRP A CG 1 ATOM 2427 C CD1 . TRP A 1 303 ? 32.064 -11.945 -27.251 1.00 24.80 ? 304 TRP A CD1 1 ATOM 2428 C CD2 . TRP A 1 303 ? 31.669 -10.877 -25.325 1.00 24.35 ? 304 TRP A CD2 1 ATOM 2429 N NE1 . TRP A 1 303 ? 32.525 -12.750 -26.227 1.00 24.83 ? 304 TRP A NE1 1 ATOM 2430 C CE2 . TRP A 1 303 ? 32.297 -12.112 -25.034 1.00 24.60 ? 304 TRP A CE2 1 ATOM 2431 C CE3 . TRP A 1 303 ? 31.325 -10.029 -24.267 1.00 23.61 ? 304 TRP A CE3 1 ATOM 2432 C CZ2 . TRP A 1 303 ? 32.572 -12.519 -23.730 1.00 23.54 ? 304 TRP A CZ2 1 ATOM 2433 C CZ3 . TRP A 1 303 ? 31.624 -10.417 -22.991 1.00 23.27 ? 304 TRP A CZ3 1 ATOM 2434 C CH2 . TRP A 1 303 ? 32.236 -11.658 -22.727 1.00 23.57 ? 304 TRP A CH2 1 ATOM 2435 N N . VAL A 1 304 ? 28.077 -10.200 -25.707 1.00 23.50 ? 305 VAL A N 1 ATOM 2436 C CA . VAL A 1 304 ? 27.313 -9.911 -24.501 1.00 23.69 ? 305 VAL A CA 1 ATOM 2437 C C . VAL A 1 304 ? 27.595 -10.849 -23.341 1.00 24.05 ? 305 VAL A C 1 ATOM 2438 O O . VAL A 1 304 ? 27.497 -12.067 -23.464 1.00 22.71 ? 305 VAL A O 1 ATOM 2439 C CB . VAL A 1 304 ? 25.785 -9.944 -24.738 1.00 24.72 ? 305 VAL A CB 1 ATOM 2440 C CG1 . VAL A 1 304 ? 25.032 -9.404 -23.530 1.00 25.12 ? 305 VAL A CG1 1 ATOM 2441 C CG2 . VAL A 1 304 ? 25.397 -9.108 -25.944 1.00 25.55 ? 305 VAL A CG2 1 ATOM 2442 N N . ALA A 1 305 ? 27.885 -10.226 -22.196 1.00 24.37 ? 306 ALA A N 1 ATOM 2443 C CA . ALA A 1 305 ? 27.992 -10.898 -20.912 1.00 23.22 ? 306 ALA A CA 1 ATOM 2444 C C . ALA A 1 305 ? 26.678 -10.715 -20.130 1.00 22.80 ? 306 ALA A C 1 ATOM 2445 O O . ALA A 1 305 ? 26.105 -9.602 -20.029 1.00 22.49 ? 306 ALA A O 1 ATOM 2446 C CB . ALA A 1 305 ? 29.138 -10.293 -20.150 1.00 23.44 ? 306 ALA A CB 1 ATOM 2447 N N . TYR A 1 306 ? 26.183 -11.802 -19.576 1.00 21.47 ? 307 TYR A N 1 ATOM 2448 C CA . TYR A 1 306 ? 24.890 -11.740 -18.950 1.00 21.44 ? 307 TYR A CA 1 ATOM 2449 C C . TYR A 1 306 ? 24.733 -12.779 -17.847 1.00 21.86 ? 307 TYR A C 1 ATOM 2450 O O . TYR A 1 306 ? 25.632 -13.580 -17.575 1.00 20.14 ? 307 TYR A O 1 ATOM 2451 C CB . TYR A 1 306 ? 23.768 -11.840 -20.022 1.00 21.44 ? 307 TYR A CB 1 ATOM 2452 C CG . TYR A 1 306 ? 23.560 -13.196 -20.662 1.00 20.51 ? 307 TYR A CG 1 ATOM 2453 C CD1 . TYR A 1 306 ? 24.426 -13.688 -21.620 1.00 20.75 ? 307 TYR A CD1 1 ATOM 2454 C CD2 . TYR A 1 306 ? 22.463 -13.964 -20.335 1.00 21.31 ? 307 TYR A CD2 1 ATOM 2455 C CE1 . TYR A 1 306 ? 24.217 -14.940 -22.212 1.00 20.67 ? 307 TYR A CE1 1 ATOM 2456 C CE2 . TYR A 1 306 ? 22.240 -15.215 -20.918 1.00 20.93 ? 307 TYR A CE2 1 ATOM 2457 C CZ . TYR A 1 306 ? 23.122 -15.700 -21.844 1.00 20.44 ? 307 TYR A CZ 1 ATOM 2458 O OH . TYR A 1 306 ? 22.884 -16.937 -22.379 1.00 20.37 ? 307 TYR A OH 1 ATOM 2459 N N . ASP A 1 307 ? 23.595 -12.741 -17.183 1.00 22.34 ? 308 ASP A N 1 ATOM 2460 C CA . ASP A 1 307 ? 23.227 -13.685 -16.169 1.00 22.05 ? 308 ASP A CA 1 ATOM 2461 C C . ASP A 1 307 ? 21.923 -14.256 -16.603 1.00 22.52 ? 308 ASP A C 1 ATOM 2462 O O . ASP A 1 307 ? 21.062 -13.582 -17.031 1.00 22.20 ? 308 ASP A O 1 ATOM 2463 C CB . ASP A 1 307 ? 23.074 -13.015 -14.806 1.00 22.09 ? 308 ASP A CB 1 ATOM 2464 C CG . ASP A 1 307 ? 24.331 -13.025 -13.998 1.00 22.79 ? 308 ASP A CG 1 ATOM 2465 O OD1 . ASP A 1 307 ? 24.998 -12.031 -13.985 1.00 23.77 ? 308 ASP A OD1 1 ATOM 2466 O OD2 . ASP A 1 307 ? 24.662 -13.990 -13.347 1.00 21.37 ? 308 ASP A OD2 1 ATOM 2467 N N . ASP A 1 308 ? 21.806 -15.546 -16.476 1.00 23.03 ? 309 ASP A N 1 ATOM 2468 C CA . ASP A 1 308 ? 20.644 -16.278 -16.863 1.00 23.15 ? 309 ASP A CA 1 ATOM 2469 C C . ASP A 1 308 ? 20.153 -17.037 -15.648 1.00 24.75 ? 309 ASP A C 1 ATOM 2470 O O . ASP A 1 308 ? 20.741 -16.922 -14.580 1.00 23.70 ? 309 ASP A O 1 ATOM 2471 C CB . ASP A 1 308 ? 20.998 -17.232 -17.990 1.00 22.82 ? 309 ASP A CB 1 ATOM 2472 C CG . ASP A 1 308 ? 22.042 -18.264 -17.614 1.00 23.72 ? 309 ASP A CG 1 ATOM 2473 O OD1 . ASP A 1 308 ? 22.710 -18.188 -16.548 1.00 22.86 ? 309 ASP A OD1 1 ATOM 2474 O OD2 . ASP A 1 308 ? 22.180 -19.198 -18.437 1.00 24.36 ? 309 ASP A OD2 1 ATOM 2475 N N . GLN A 1 309 ? 19.086 -17.817 -15.805 1.00 27.03 ? 310 GLN A N 1 ATOM 2476 C CA . GLN A 1 309 ? 18.446 -18.462 -14.657 1.00 28.59 ? 310 GLN A CA 1 ATOM 2477 C C . GLN A 1 309 ? 19.354 -19.396 -13.954 1.00 28.63 ? 310 GLN A C 1 ATOM 2478 O O . GLN A 1 309 ? 19.290 -19.483 -12.741 1.00 29.03 ? 310 GLN A O 1 ATOM 2479 C CB . GLN A 1 309 ? 17.193 -19.209 -15.049 1.00 29.72 ? 310 GLN A CB 1 ATOM 2480 C CG . GLN A 1 309 ? 16.120 -18.273 -15.575 1.00 31.57 ? 310 GLN A CG 1 ATOM 2481 C CD . GLN A 1 309 ? 15.107 -19.002 -16.429 1.00 33.76 ? 310 GLN A CD 1 ATOM 2482 O OE1 . GLN A 1 309 ? 14.474 -19.951 -15.966 1.00 34.79 ? 310 GLN A OE1 1 ATOM 2483 N NE2 . GLN A 1 309 ? 14.962 -18.576 -17.688 1.00 34.00 ? 310 GLN A NE2 1 ATOM 2484 N N . GLU A 1 310 ? 20.220 -20.073 -14.703 1.00 30.47 ? 311 GLU A N 1 ATOM 2485 C CA . GLU A 1 310 ? 21.159 -20.996 -14.094 1.00 31.45 ? 311 GLU A CA 1 ATOM 2486 C C . GLU A 1 310 ? 22.184 -20.259 -13.245 1.00 26.65 ? 311 GLU A C 1 ATOM 2487 O O . GLU A 1 310 ? 22.369 -20.612 -12.121 1.00 25.79 ? 311 GLU A O 1 ATOM 2488 C CB . GLU A 1 310 ? 21.847 -21.884 -15.141 1.00 37.25 ? 311 GLU A CB 1 ATOM 2489 C CG . GLU A 1 310 ? 22.606 -23.076 -14.541 1.00 43.76 ? 311 GLU A CG 1 ATOM 2490 C CD . GLU A 1 310 ? 21.753 -23.882 -13.547 1.00 50.22 ? 311 GLU A CD 1 ATOM 2491 O OE1 . GLU A 1 310 ? 21.981 -23.776 -12.287 1.00 52.25 ? 311 GLU A OE1 1 ATOM 2492 O OE2 . GLU A 1 310 ? 20.837 -24.600 -14.038 1.00 47.39 ? 311 GLU A OE2 1 ATOM 2493 N N . SER A 1 311 ? 22.818 -19.223 -13.775 1.00 24.36 ? 312 SER A N 1 ATOM 2494 C CA . SER A 1 311 ? 23.880 -18.518 -13.048 1.00 22.99 ? 312 SER A CA 1 ATOM 2495 C C . SER A 1 311 ? 23.333 -17.811 -11.851 1.00 21.94 ? 312 SER A C 1 ATOM 2496 O O . SER A 1 311 ? 23.994 -17.660 -10.840 1.00 23.43 ? 312 SER A O 1 ATOM 2497 C CB . SER A 1 311 ? 24.622 -17.502 -13.951 1.00 23.44 ? 312 SER A CB 1 ATOM 2498 O OG . SER A 1 311 ? 23.778 -16.459 -14.466 1.00 22.87 ? 312 SER A OG 1 ATOM 2499 N N . VAL A 1 312 ? 22.114 -17.350 -11.979 1.00 21.12 ? 313 VAL A N 1 ATOM 2500 C CA . VAL A 1 312 ? 21.466 -16.609 -10.930 1.00 20.20 ? 313 VAL A CA 1 ATOM 2501 C C . VAL A 1 312 ? 21.079 -17.552 -9.804 1.00 20.55 ? 313 VAL A C 1 ATOM 2502 O O . VAL A 1 312 ? 21.167 -17.203 -8.638 1.00 19.68 ? 313 VAL A O 1 ATOM 2503 C CB . VAL A 1 312 ? 20.281 -15.861 -11.541 1.00 20.40 ? 313 VAL A CB 1 ATOM 2504 C CG1 . VAL A 1 312 ? 19.071 -15.902 -10.665 1.00 20.94 ? 313 VAL A CG1 1 ATOM 2505 C CG2 . VAL A 1 312 ? 20.681 -14.431 -11.846 1.00 20.41 ? 313 VAL A CG2 1 ATOM 2506 N N . LYS A 1 313 ? 20.662 -18.766 -10.143 1.00 22.40 ? 314 LYS A N 1 ATOM 2507 C CA . LYS A 1 313 ? 20.393 -19.771 -9.105 1.00 23.44 ? 314 LYS A CA 1 ATOM 2508 C C . LYS A 1 313 ? 21.663 -20.066 -8.373 1.00 21.23 ? 314 LYS A C 1 ATOM 2509 O O . LYS A 1 313 ? 21.702 -20.181 -7.156 1.00 20.47 ? 314 LYS A O 1 ATOM 2510 C CB . LYS A 1 313 ? 19.887 -21.068 -9.703 1.00 26.07 ? 314 LYS A CB 1 ATOM 2511 C CG . LYS A 1 313 ? 18.577 -20.920 -10.436 1.00 29.21 ? 314 LYS A CG 1 ATOM 2512 C CD . LYS A 1 313 ? 17.759 -22.176 -10.352 1.00 32.13 ? 314 LYS A CD 1 ATOM 2513 C CE . LYS A 1 313 ? 16.651 -22.132 -11.380 1.00 37.32 ? 314 LYS A CE 1 ATOM 2514 N NZ . LYS A 1 313 ? 15.793 -23.354 -11.247 1.00 43.28 ? 314 LYS A NZ 1 ATOM 2515 N N . ASN A 1 314 ? 22.712 -20.163 -9.163 1.00 19.53 ? 315 ASN A N 1 ATOM 2516 C CA . ASN A 1 314 ? 23.965 -20.643 -8.710 1.00 18.65 ? 315 ASN A CA 1 ATOM 2517 C C . ASN A 1 314 ? 24.521 -19.689 -7.678 1.00 19.14 ? 315 ASN A C 1 ATOM 2518 O O . ASN A 1 314 ? 24.952 -20.108 -6.609 1.00 18.94 ? 315 ASN A O 1 ATOM 2519 C CB . ASN A 1 314 ? 24.859 -20.745 -9.906 1.00 18.39 ? 315 ASN A CB 1 ATOM 2520 C CG . ASN A 1 314 ? 26.181 -21.319 -9.574 1.00 18.83 ? 315 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 314 ? 27.167 -20.604 -9.581 1.00 19.83 ? 315 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 314 ? 26.222 -22.613 -9.275 1.00 18.56 ? 315 ASN A ND2 1 ATOM 2523 N N . LYS A 1 315 ? 24.443 -18.397 -7.991 1.00 19.10 ? 316 LYS A N 1 ATOM 2524 C CA . LYS A 1 315 ? 24.762 -17.315 -7.046 1.00 18.89 ? 316 LYS A CA 1 ATOM 2525 C C . LYS A 1 315 ? 23.898 -17.312 -5.758 1.00 18.90 ? 316 LYS A C 1 ATOM 2526 O O . LYS A 1 315 ? 24.391 -17.025 -4.652 1.00 17.19 ? 316 LYS A O 1 ATOM 2527 C CB . LYS A 1 315 ? 24.655 -15.970 -7.771 1.00 18.90 ? 316 LYS A CB 1 ATOM 2528 C CG . LYS A 1 315 ? 25.812 -15.722 -8.731 1.00 19.58 ? 316 LYS A CG 1 ATOM 2529 C CD . LYS A 1 315 ? 25.539 -14.573 -9.670 1.00 20.40 ? 316 LYS A CD 1 ATOM 2530 C CE . LYS A 1 315 ? 26.776 -14.161 -10.436 1.00 21.30 ? 316 LYS A CE 1 ATOM 2531 N NZ . LYS A 1 315 ? 26.427 -13.477 -11.724 1.00 22.02 ? 316 LYS A NZ 1 ATOM 2532 N N . ALA A 1 316 ? 22.612 -17.620 -5.917 1.00 19.51 ? 317 ALA A N 1 ATOM 2533 C CA . ALA A 1 316 ? 21.722 -17.807 -4.786 1.00 19.80 ? 317 ALA A CA 1 ATOM 2534 C C . ALA A 1 316 ? 22.195 -18.936 -3.862 1.00 20.84 ? 317 ALA A C 1 ATOM 2535 O O . ALA A 1 316 ? 22.095 -18.824 -2.633 1.00 21.88 ? 317 ALA A O 1 ATOM 2536 C CB . ALA A 1 316 ? 20.334 -18.112 -5.270 1.00 20.29 ? 317 ALA A CB 1 ATOM 2537 N N . ARG A 1 317 ? 22.694 -20.027 -4.439 1.00 20.03 ? 318 ARG A N 1 ATOM 2538 C CA . ARG A 1 317 ? 23.200 -21.122 -3.622 1.00 19.92 ? 318 ARG A CA 1 ATOM 2539 C C . ARG A 1 317 ? 24.453 -20.721 -2.902 1.00 18.59 ? 318 ARG A C 1 ATOM 2540 O O . ARG A 1 317 ? 24.608 -20.985 -1.740 1.00 18.20 ? 318 ARG A O 1 ATOM 2541 C CB . ARG A 1 317 ? 23.492 -22.363 -4.471 1.00 21.34 ? 318 ARG A CB 1 ATOM 2542 C CG . ARG A 1 317 ? 22.234 -23.026 -5.036 1.00 22.47 ? 318 ARG A CG 1 ATOM 2543 C CD . ARG A 1 317 ? 22.543 -24.229 -5.905 1.00 23.27 ? 318 ARG A CD 1 ATOM 2544 N NE . ARG A 1 317 ? 21.557 -24.417 -6.965 1.00 24.60 ? 318 ARG A NE 1 ATOM 2545 C CZ . ARG A 1 317 ? 21.793 -24.329 -8.276 1.00 26.45 ? 318 ARG A CZ 1 ATOM 2546 N NH1 . ARG A 1 317 ? 23.008 -24.034 -8.764 1.00 24.93 ? 318 ARG A NH1 1 ATOM 2547 N NH2 . ARG A 1 317 ? 20.772 -24.529 -9.117 1.00 28.76 ? 318 ARG A NH2 1 ATOM 2548 N N . TYR A 1 318 ? 25.345 -20.075 -3.594 1.00 18.71 ? 319 TYR A N 1 ATOM 2549 C CA . TYR A 1 318 ? 26.586 -19.623 -3.030 1.00 18.99 ? 319 TYR A CA 1 ATOM 2550 C C . TYR A 1 318 ? 26.380 -18.800 -1.815 1.00 20.07 ? 319 TYR A C 1 ATOM 2551 O O . TYR A 1 318 ? 27.103 -18.912 -0.874 1.00 20.84 ? 319 TYR A O 1 ATOM 2552 C CB . TYR A 1 318 ? 27.380 -18.822 -4.059 1.00 18.47 ? 319 TYR A CB 1 ATOM 2553 C CG . TYR A 1 318 ? 28.605 -18.147 -3.537 1.00 18.10 ? 319 TYR A CG 1 ATOM 2554 C CD1 . TYR A 1 318 ? 29.809 -18.751 -3.586 1.00 18.02 ? 319 TYR A CD1 1 ATOM 2555 C CD2 . TYR A 1 318 ? 28.541 -16.897 -2.992 1.00 18.60 ? 319 TYR A CD2 1 ATOM 2556 C CE1 . TYR A 1 318 ? 30.912 -18.134 -3.101 1.00 18.80 ? 319 TYR A CE1 1 ATOM 2557 C CE2 . TYR A 1 318 ? 29.634 -16.267 -2.518 1.00 18.54 ? 319 TYR A CE2 1 ATOM 2558 C CZ . TYR A 1 318 ? 30.814 -16.893 -2.577 1.00 18.83 ? 319 TYR A CZ 1 ATOM 2559 O OH . TYR A 1 318 ? 31.901 -16.265 -2.096 1.00 18.88 ? 319 TYR A OH 1 ATOM 2560 N N . LEU A 1 319 ? 25.397 -17.939 -1.838 1.00 21.17 ? 320 LEU A N 1 ATOM 2561 C CA . LEU A 1 319 ? 25.203 -17.057 -0.697 1.00 22.24 ? 320 LEU A CA 1 ATOM 2562 C C . LEU A 1 319 ? 24.487 -17.715 0.452 1.00 22.53 ? 320 LEU A C 1 ATOM 2563 O O . LEU A 1 319 ? 24.668 -17.314 1.599 1.00 22.93 ? 320 LEU A O 1 ATOM 2564 C CB . LEU A 1 319 ? 24.568 -15.721 -1.091 1.00 22.69 ? 320 LEU A CB 1 ATOM 2565 C CG . LEU A 1 319 ? 23.079 -15.323 -1.054 1.00 24.10 ? 320 LEU A CG 1 ATOM 2566 C CD1 . LEU A 1 319 ? 22.490 -15.382 -2.448 1.00 24.90 ? 320 LEU A CD1 1 ATOM 2567 C CD2 . LEU A 1 319 ? 22.165 -16.052 -0.080 1.00 24.79 ? 320 LEU A CD2 1 ATOM 2568 N N . LYS A 1 320 ? 23.666 -18.716 0.148 1.00 24.23 ? 321 LYS A N 1 ATOM 2569 C CA . LYS A 1 320 ? 22.990 -19.522 1.173 1.00 24.42 ? 321 LYS A CA 1 ATOM 2570 C C . LYS A 1 320 ? 24.100 -20.232 1.916 1.00 23.94 ? 321 LYS A C 1 ATOM 2571 O O . LYS A 1 320 ? 24.192 -20.192 3.150 1.00 24.67 ? 321 LYS A O 1 ATOM 2572 C CB . LYS A 1 320 ? 22.082 -20.579 0.532 1.00 26.95 ? 321 LYS A CB 1 ATOM 2573 C CG . LYS A 1 320 ? 20.675 -20.153 0.111 1.00 28.05 ? 321 LYS A CG 1 ATOM 2574 C CD . LYS A 1 320 ? 19.601 -20.911 0.900 1.00 30.19 ? 321 LYS A CD 1 ATOM 2575 C CE . LYS A 1 320 ? 18.770 -21.847 0.039 1.00 32.67 ? 321 LYS A CE 1 ATOM 2576 N NZ . LYS A 1 320 ? 19.456 -23.123 -0.317 1.00 35.88 ? 321 LYS A NZ 1 ATOM 2577 N N . ASN A 1 321 ? 24.982 -20.849 1.140 1.00 22.88 ? 322 ASN A N 1 ATOM 2578 C CA . ASN A 1 321 ? 26.106 -21.606 1.685 1.00 22.45 ? 322 ASN A CA 1 ATOM 2579 C C . ASN A 1 321 ? 27.018 -20.784 2.538 1.00 23.13 ? 322 ASN A C 1 ATOM 2580 O O . ASN A 1 321 ? 27.651 -21.283 3.468 1.00 25.00 ? 322 ASN A O 1 ATOM 2581 C CB . ASN A 1 321 ? 26.944 -22.134 0.553 1.00 21.83 ? 322 ASN A CB 1 ATOM 2582 C CG . ASN A 1 321 ? 26.238 -23.209 -0.223 1.00 20.99 ? 322 ASN A CG 1 ATOM 2583 O OD1 . ASN A 1 321 ? 25.404 -23.937 0.327 1.00 18.52 ? 322 ASN A OD1 1 ATOM 2584 N ND2 . ASN A 1 321 ? 26.574 -23.320 -1.517 1.00 20.77 ? 322 ASN A ND2 1 ATOM 2585 N N . ARG A 1 322 ? 27.126 -19.523 2.164 1.00 22.50 ? 323 ARG A N 1 ATOM 2586 C CA . ARG A 1 322 ? 27.979 -18.605 2.842 1.00 21.97 ? 323 ARG A CA 1 ATOM 2587 C C . ARG A 1 322 ? 27.212 -17.999 4.004 1.00 22.36 ? 323 ARG A C 1 ATOM 2588 O O . ARG A 1 322 ? 27.779 -17.207 4.770 1.00 22.02 ? 323 ARG A O 1 ATOM 2589 C CB . ARG A 1 322 ? 28.371 -17.515 1.867 1.00 22.51 ? 323 ARG A CB 1 ATOM 2590 C CG . ARG A 1 322 ? 29.760 -16.979 2.053 1.00 22.78 ? 323 ARG A CG 1 ATOM 2591 C CD . ARG A 1 322 ? 30.716 -17.744 1.195 1.00 22.88 ? 323 ARG A CD 1 ATOM 2592 N NE . ARG A 1 322 ? 31.941 -16.978 0.943 1.00 24.06 ? 323 ARG A NE 1 ATOM 2593 C CZ . ARG A 1 322 ? 32.912 -16.743 1.822 1.00 22.24 ? 323 ARG A CZ 1 ATOM 2594 N NH1 . ARG A 1 322 ? 32.824 -17.146 3.082 1.00 21.90 ? 323 ARG A NH1 1 ATOM 2595 N NH2 . ARG A 1 322 ? 33.976 -16.080 1.417 1.00 22.36 ? 323 ARG A NH2 1 ATOM 2596 N N . GLN A 1 323 ? 25.939 -18.302 4.101 1.00 21.98 ? 324 GLN A N 1 ATOM 2597 C CA . GLN A 1 323 ? 25.142 -17.829 5.185 1.00 22.37 ? 324 GLN A CA 1 ATOM 2598 C C . GLN A 1 323 ? 24.974 -16.316 5.193 1.00 21.11 ? 324 GLN A C 1 ATOM 2599 O O . GLN A 1 323 ? 25.103 -15.703 6.227 1.00 19.81 ? 324 GLN A O 1 ATOM 2600 C CB . GLN A 1 323 ? 25.817 -18.242 6.451 1.00 23.41 ? 324 GLN A CB 1 ATOM 2601 C CG . GLN A 1 323 ? 25.906 -19.698 6.684 1.00 24.63 ? 324 GLN A CG 1 ATOM 2602 C CD . GLN A 1 323 ? 26.038 -19.960 8.116 1.00 26.19 ? 324 GLN A CD 1 ATOM 2603 O OE1 . GLN A 1 323 ? 27.029 -19.631 8.719 1.00 24.83 ? 324 GLN A OE1 1 ATOM 2604 N NE2 . GLN A 1 323 ? 25.010 -20.519 8.689 1.00 28.29 ? 324 GLN A NE2 1 ATOM 2605 N N . LEU A 1 324 ? 24.647 -15.732 4.047 1.00 19.84 ? 325 LEU A N 1 ATOM 2606 C CA . LEU A 1 324 ? 24.416 -14.312 3.973 1.00 19.37 ? 325 LEU A CA 1 ATOM 2607 C C . LEU A 1 324 ? 22.925 -14.056 4.162 1.00 19.88 ? 325 LEU A C 1 ATOM 2608 O O . LEU A 1 324 ? 22.114 -14.978 4.125 1.00 19.72 ? 325 LEU A O 1 ATOM 2609 C CB . LEU A 1 324 ? 24.890 -13.758 2.628 1.00 19.45 ? 325 LEU A CB 1 ATOM 2610 C CG . LEU A 1 324 ? 26.323 -14.050 2.160 1.00 18.82 ? 325 LEU A CG 1 ATOM 2611 C CD1 . LEU A 1 324 ? 26.632 -13.335 0.867 1.00 18.55 ? 325 LEU A CD1 1 ATOM 2612 C CD2 . LEU A 1 324 ? 27.313 -13.590 3.201 1.00 19.04 ? 325 LEU A CD2 1 ATOM 2613 N N . ALA A 1 325 ? 22.574 -12.789 4.367 1.00 20.26 ? 326 ALA A N 1 ATOM 2614 C CA . ALA A 1 325 ? 21.205 -12.393 4.671 1.00 19.29 ? 326 ALA A CA 1 ATOM 2615 C C . ALA A 1 325 ? 20.267 -12.556 3.483 1.00 19.15 ? 326 ALA A C 1 ATOM 2616 O O . ALA A 1 325 ? 19.097 -12.921 3.649 1.00 19.49 ? 326 ALA A O 1 ATOM 2617 C CB . ALA A 1 325 ? 21.188 -10.977 5.170 1.00 19.31 ? 326 ALA A CB 1 ATOM 2618 N N . GLY A 1 326 ? 20.778 -12.323 2.280 1.00 19.21 ? 327 GLY A N 1 ATOM 2619 C CA . GLY A 1 326 ? 19.982 -12.546 1.078 1.00 17.95 ? 327 GLY A CA 1 ATOM 2620 C C . GLY A 1 326 ? 20.623 -12.020 -0.180 1.00 17.01 ? 327 GLY A C 1 ATOM 2621 O O . GLY A 1 326 ? 21.835 -11.765 -0.237 1.00 16.66 ? 327 GLY A O 1 ATOM 2622 N N . ALA A 1 327 ? 19.786 -11.846 -1.190 1.00 15.88 ? 328 ALA A N 1 ATOM 2623 C CA . ALA A 1 327 ? 20.228 -11.389 -2.468 1.00 15.84 ? 328 ALA A CA 1 ATOM 2624 C C . ALA A 1 327 ? 19.645 -10.021 -2.768 1.00 16.77 ? 328 ALA A C 1 ATOM 2625 O O . ALA A 1 327 ? 18.584 -9.648 -2.264 1.00 17.45 ? 328 ALA A O 1 ATOM 2626 C CB . ALA A 1 327 ? 19.805 -12.385 -3.517 1.00 15.86 ? 328 ALA A CB 1 ATOM 2627 N N . MET A 1 328 ? 20.349 -9.258 -3.584 1.00 17.79 ? 329 MET A N 1 ATOM 2628 C CA . MET A 1 328 ? 19.862 -7.973 -4.006 1.00 19.35 ? 329 MET A CA 1 ATOM 2629 C C . MET A 1 328 ? 19.781 -8.013 -5.523 1.00 20.14 ? 329 MET A C 1 ATOM 2630 O O . MET A 1 328 ? 20.699 -8.491 -6.164 1.00 19.95 ? 329 MET A O 1 ATOM 2631 C CB . MET A 1 328 ? 20.809 -6.883 -3.521 1.00 20.40 ? 329 MET A CB 1 ATOM 2632 C CG . MET A 1 328 ? 20.475 -5.492 -3.997 1.00 21.52 ? 329 MET A CG 1 ATOM 2633 S SD . MET A 1 328 ? 21.023 -5.156 -5.673 1.00 23.19 ? 329 MET A SD 1 ATOM 2634 C CE . MET A 1 328 ? 22.688 -4.611 -5.391 1.00 22.82 ? 329 MET A CE 1 ATOM 2635 N N . VAL A 1 329 ? 18.679 -7.527 -6.095 1.00 21.42 ? 330 VAL A N 1 ATOM 2636 C CA . VAL A 1 329 ? 18.478 -7.567 -7.552 1.00 22.17 ? 330 VAL A CA 1 ATOM 2637 C C . VAL A 1 329 ? 18.432 -6.180 -8.190 1.00 22.73 ? 330 VAL A C 1 ATOM 2638 O O . VAL A 1 329 ? 17.598 -5.351 -7.813 1.00 22.65 ? 330 VAL A O 1 ATOM 2639 C CB . VAL A 1 329 ? 17.162 -8.273 -7.942 1.00 21.90 ? 330 VAL A CB 1 ATOM 2640 C CG1 . VAL A 1 329 ? 16.834 -8.006 -9.401 1.00 22.01 ? 330 VAL A CG1 1 ATOM 2641 C CG2 . VAL A 1 329 ? 17.258 -9.778 -7.718 1.00 21.80 ? 330 VAL A CG2 1 ATOM 2642 N N . TRP A 1 330 ? 19.309 -5.972 -9.179 1.00 22.63 ? 331 TRP A N 1 ATOM 2643 C CA . TRP A 1 330 ? 19.268 -4.813 -10.050 1.00 22.17 ? 331 TRP A CA 1 ATOM 2644 C C . TRP A 1 330 ? 19.094 -5.316 -11.464 1.00 22.22 ? 331 TRP A C 1 ATOM 2645 O O . TRP A 1 330 ? 20.081 -5.834 -12.043 1.00 22.24 ? 331 TRP A O 1 ATOM 2646 C CB . TRP A 1 330 ? 20.572 -3.993 -9.985 1.00 23.00 ? 331 TRP A CB 1 ATOM 2647 C CG . TRP A 1 330 ? 20.416 -2.720 -10.712 1.00 23.11 ? 331 TRP A CG 1 ATOM 2648 C CD1 . TRP A 1 330 ? 20.447 -2.533 -12.074 1.00 24.26 ? 331 TRP A CD1 1 ATOM 2649 C CD2 . TRP A 1 330 ? 20.088 -1.455 -10.145 1.00 22.92 ? 331 TRP A CD2 1 ATOM 2650 N NE1 . TRP A 1 330 ? 20.175 -1.210 -12.381 1.00 24.33 ? 331 TRP A NE1 1 ATOM 2651 C CE2 . TRP A 1 330 ? 19.956 -0.532 -11.213 1.00 23.38 ? 331 TRP A CE2 1 ATOM 2652 C CE3 . TRP A 1 330 ? 19.912 -1.004 -8.844 1.00 22.86 ? 331 TRP A CE3 1 ATOM 2653 C CZ2 . TRP A 1 330 ? 19.658 0.790 -11.007 1.00 23.28 ? 331 TRP A CZ2 1 ATOM 2654 C CZ3 . TRP A 1 330 ? 19.615 0.318 -8.635 1.00 23.20 ? 331 TRP A CZ3 1 ATOM 2655 C CH2 . TRP A 1 330 ? 19.484 1.202 -9.708 1.00 24.41 ? 331 TRP A CH2 1 ATOM 2656 N N . ALA A 1 331 ? 17.897 -5.155 -12.061 1.00 22.15 ? 332 ALA A N 1 ATOM 2657 C CA . ALA A 1 331 ? 16.696 -4.515 -11.453 1.00 21.57 ? 332 ALA A CA 1 ATOM 2658 C C . ALA A 1 331 ? 15.419 -5.086 -12.043 1.00 21.05 ? 332 ALA A C 1 ATOM 2659 O O . ALA A 1 331 ? 15.426 -5.614 -13.144 1.00 22.27 ? 332 ALA A O 1 ATOM 2660 C CB . ALA A 1 331 ? 16.709 -3.011 -11.680 1.00 21.61 ? 332 ALA A CB 1 ATOM 2661 N N . LEU A 1 332 ? 14.316 -4.947 -11.323 1.00 20.66 ? 333 LEU A N 1 ATOM 2662 C CA . LEU A 1 332 ? 13.046 -5.530 -11.735 1.00 20.18 ? 333 LEU A CA 1 ATOM 2663 C C . LEU A 1 332 ? 12.674 -5.095 -13.123 1.00 20.48 ? 333 LEU A C 1 ATOM 2664 O O . LEU A 1 332 ? 12.319 -5.909 -13.968 1.00 20.39 ? 333 LEU A O 1 ATOM 2665 C CB . LEU A 1 332 ? 11.927 -5.102 -10.804 1.00 20.48 ? 333 LEU A CB 1 ATOM 2666 C CG . LEU A 1 332 ? 12.057 -5.536 -9.348 1.00 20.80 ? 333 LEU A CG 1 ATOM 2667 C CD1 . LEU A 1 332 ? 11.040 -4.815 -8.497 1.00 21.26 ? 333 LEU A CD1 1 ATOM 2668 C CD2 . LEU A 1 332 ? 11.877 -7.026 -9.185 1.00 21.11 ? 333 LEU A CD2 1 ATOM 2669 N N . ASP A 1 333 ? 12.765 -3.801 -13.376 1.00 21.71 ? 334 ASP A N 1 ATOM 2670 C CA . ASP A 1 333 ? 12.331 -3.269 -14.670 1.00 22.77 ? 334 ASP A CA 1 ATOM 2671 C C . ASP A 1 333 ? 13.136 -3.824 -15.854 1.00 23.07 ? 334 ASP A C 1 ATOM 2672 O O . ASP A 1 333 ? 12.705 -3.697 -17.005 1.00 22.53 ? 334 ASP A O 1 ATOM 2673 C CB . ASP A 1 333 ? 12.333 -1.749 -14.654 1.00 23.51 ? 334 ASP A CB 1 ATOM 2674 C CG . ASP A 1 333 ? 13.585 -1.175 -14.062 1.00 24.03 ? 334 ASP A CG 1 ATOM 2675 O OD1 . ASP A 1 333 ? 14.548 -0.997 -14.814 1.00 26.17 ? 334 ASP A OD1 1 ATOM 2676 O OD2 . ASP A 1 333 ? 13.601 -0.873 -12.856 1.00 24.79 ? 334 ASP A OD2 1 ATOM 2677 N N . LEU A 1 334 ? 14.278 -4.458 -15.543 1.00 23.69 ? 335 LEU A N 1 ATOM 2678 C CA . LEU A 1 334 ? 15.219 -5.005 -16.536 1.00 23.40 ? 335 LEU A CA 1 ATOM 2679 C C . LEU A 1 334 ? 15.179 -6.517 -16.610 1.00 23.57 ? 335 LEU A C 1 ATOM 2680 O O . LEU A 1 334 ? 15.880 -7.131 -17.418 1.00 23.95 ? 335 LEU A O 1 ATOM 2681 C CB . LEU A 1 334 ? 16.632 -4.585 -16.196 1.00 22.37 ? 335 LEU A CB 1 ATOM 2682 C CG . LEU A 1 334 ? 16.857 -3.092 -16.214 1.00 21.90 ? 335 LEU A CG 1 ATOM 2683 C CD1 . LEU A 1 334 ? 18.085 -2.817 -15.377 1.00 22.64 ? 335 LEU A CD1 1 ATOM 2684 C CD2 . LEU A 1 334 ? 17.044 -2.554 -17.617 1.00 21.87 ? 335 LEU A CD2 1 ATOM 2685 N N . ASP A 1 335 ? 14.384 -7.111 -15.737 1.00 23.77 ? 336 ASP A N 1 ATOM 2686 C CA . ASP A 1 335 ? 14.062 -8.530 -15.807 1.00 24.67 ? 336 ASP A CA 1 ATOM 2687 C C . ASP A 1 335 ? 12.911 -8.656 -16.800 1.00 26.15 ? 336 ASP A C 1 ATOM 2688 O O . ASP A 1 335 ? 12.293 -7.640 -17.154 1.00 28.11 ? 336 ASP A O 1 ATOM 2689 C CB . ASP A 1 335 ? 13.636 -8.983 -14.401 1.00 23.84 ? 336 ASP A CB 1 ATOM 2690 C CG . ASP A 1 335 ? 13.656 -10.477 -14.218 1.00 23.32 ? 336 ASP A CG 1 ATOM 2691 O OD1 . ASP A 1 335 ? 13.822 -11.206 -15.224 1.00 23.22 ? 336 ASP A OD1 1 ATOM 2692 O OD2 . ASP A 1 335 ? 13.474 -10.917 -13.055 1.00 22.62 ? 336 ASP A OD2 1 ATOM 2693 N N . ASP A 1 336 ? 12.583 -9.868 -17.248 1.00 27.57 ? 337 ASP A N 1 ATOM 2694 C CA . ASP A 1 336 ? 11.398 -10.037 -18.146 1.00 27.65 ? 337 ASP A CA 1 ATOM 2695 C C . ASP A 1 336 ? 10.095 -9.899 -17.390 1.00 27.22 ? 337 ASP A C 1 ATOM 2696 O O . ASP A 1 336 ? 9.408 -10.898 -17.113 1.00 26.08 ? 337 ASP A O 1 ATOM 2697 C CB . ASP A 1 336 ? 11.421 -11.380 -18.876 1.00 28.07 ? 337 ASP A CB 1 ATOM 2698 C CG . ASP A 1 336 ? 10.355 -11.486 -19.939 1.00 28.14 ? 337 ASP A CG 1 ATOM 2699 O OD1 . ASP A 1 336 ? 9.748 -10.444 -20.281 1.00 28.99 ? 337 ASP A OD1 1 ATOM 2700 O OD2 . ASP A 1 336 ? 10.145 -12.613 -20.437 1.00 27.41 ? 337 ASP A OD2 1 ATOM 2701 N N . PHE A 1 337 ? 9.755 -8.655 -17.077 1.00 27.83 ? 338 PHE A N 1 ATOM 2702 C CA . PHE A 1 337 ? 8.601 -8.376 -16.222 1.00 30.24 ? 338 PHE A CA 1 ATOM 2703 C C . PHE A 1 337 ? 7.221 -8.613 -16.859 1.00 31.77 ? 338 PHE A C 1 ATOM 2704 O O . PHE A 1 337 ? 6.249 -8.785 -16.136 1.00 32.11 ? 338 PHE A O 1 ATOM 2705 C CB . PHE A 1 337 ? 8.694 -6.963 -15.612 1.00 31.03 ? 338 PHE A CB 1 ATOM 2706 C CG . PHE A 1 337 ? 8.557 -5.838 -16.606 1.00 31.15 ? 338 PHE A CG 1 ATOM 2707 C CD1 . PHE A 1 337 ? 9.676 -5.289 -17.209 1.00 31.49 ? 338 PHE A CD1 1 ATOM 2708 C CD2 . PHE A 1 337 ? 7.304 -5.296 -16.899 1.00 31.83 ? 338 PHE A CD2 1 ATOM 2709 C CE1 . PHE A 1 337 ? 9.547 -4.250 -18.115 1.00 32.18 ? 338 PHE A CE1 1 ATOM 2710 C CE2 . PHE A 1 337 ? 7.165 -4.243 -17.787 1.00 31.05 ? 338 PHE A CE2 1 ATOM 2711 C CZ . PHE A 1 337 ? 8.288 -3.721 -18.400 1.00 31.74 ? 338 PHE A CZ 1 ATOM 2712 N N . ARG A 1 338 ? 7.120 -8.621 -18.189 1.00 35.34 ? 339 ARG A N 1 ATOM 2713 C CA . ARG A 1 338 ? 5.866 -9.005 -18.864 1.00 35.80 ? 339 ARG A CA 1 ATOM 2714 C C . ARG A 1 338 ? 5.794 -10.507 -19.107 1.00 36.61 ? 339 ARG A C 1 ATOM 2715 O O . ARG A 1 338 ? 4.717 -11.056 -19.312 1.00 36.55 ? 339 ARG A O 1 ATOM 2716 C CB . ARG A 1 338 ? 5.706 -8.259 -20.174 1.00 37.20 ? 339 ARG A CB 1 ATOM 2717 C CG . ARG A 1 338 ? 5.464 -6.778 -19.964 1.00 39.92 ? 339 ARG A CG 1 ATOM 2718 C CD . ARG A 1 338 ? 5.322 -6.039 -21.282 1.00 42.97 ? 339 ARG A CD 1 ATOM 2719 N NE . ARG A 1 338 ? 5.319 -4.580 -21.125 1.00 46.08 ? 339 ARG A NE 1 ATOM 2720 C CZ . ARG A 1 338 ? 4.300 -3.856 -20.660 1.00 46.80 ? 339 ARG A CZ 1 ATOM 2721 N NH1 . ARG A 1 338 ? 3.174 -4.432 -20.259 1.00 46.85 ? 339 ARG A NH1 1 ATOM 2722 N NH2 . ARG A 1 338 ? 4.423 -2.537 -20.565 1.00 49.22 ? 339 ARG A NH2 1 ATOM 2723 N N . GLY A 1 339 ? 6.948 -11.163 -19.086 1.00 37.13 ? 340 GLY A N 1 ATOM 2724 C CA . GLY A 1 339 ? 7.015 -12.617 -19.139 1.00 37.39 ? 340 GLY A CA 1 ATOM 2725 C C . GLY A 1 339 ? 6.785 -13.192 -20.520 1.00 36.83 ? 340 GLY A C 1 ATOM 2726 O O . GLY A 1 339 ? 6.485 -14.380 -20.671 1.00 38.63 ? 340 GLY A O 1 ATOM 2727 N N . THR A 1 340 ? 6.979 -12.355 -21.530 1.00 35.81 ? 341 THR A N 1 ATOM 2728 C CA . THR A 1 340 ? 6.632 -12.694 -22.905 1.00 36.43 ? 341 THR A CA 1 ATOM 2729 C C . THR A 1 340 ? 7.855 -12.896 -23.819 1.00 38.66 ? 341 THR A C 1 ATOM 2730 O O . THR A 1 340 ? 7.769 -13.602 -24.836 1.00 42.14 ? 341 THR A O 1 ATOM 2731 C CB . THR A 1 340 ? 5.718 -11.606 -23.499 1.00 34.07 ? 341 THR A CB 1 ATOM 2732 O OG1 . THR A 1 340 ? 6.367 -10.323 -23.414 1.00 32.23 ? 341 THR A OG1 1 ATOM 2733 C CG2 . THR A 1 340 ? 4.407 -11.561 -22.736 1.00 32.59 ? 341 THR A CG2 1 ATOM 2734 N N . PHE A 1 341 ? 8.995 -12.325 -23.438 1.00 36.39 ? 342 PHE A N 1 ATOM 2735 C CA . PHE A 1 341 ? 10.169 -12.309 -24.304 1.00 35.13 ? 342 PHE A CA 1 ATOM 2736 C C . PHE A 1 341 ? 11.045 -13.557 -24.274 1.00 36.38 ? 342 PHE A C 1 ATOM 2737 O O . PHE A 1 341 ? 11.799 -13.771 -25.211 1.00 38.23 ? 342 PHE A O 1 ATOM 2738 C CB . PHE A 1 341 ? 11.028 -11.096 -23.961 1.00 34.71 ? 342 PHE A CB 1 ATOM 2739 C CG . PHE A 1 341 ? 10.348 -9.800 -24.244 1.00 34.00 ? 342 PHE A CG 1 ATOM 2740 C CD1 . PHE A 1 341 ? 9.438 -9.265 -23.336 1.00 33.71 ? 342 PHE A CD1 1 ATOM 2741 C CD2 . PHE A 1 341 ? 10.584 -9.129 -25.431 1.00 32.82 ? 342 PHE A CD2 1 ATOM 2742 C CE1 . PHE A 1 341 ? 8.781 -8.092 -23.615 1.00 32.84 ? 342 PHE A CE1 1 ATOM 2743 C CE2 . PHE A 1 341 ? 9.937 -7.944 -25.707 1.00 31.59 ? 342 PHE A CE2 1 ATOM 2744 C CZ . PHE A 1 341 ? 9.042 -7.429 -24.802 1.00 32.82 ? 342 PHE A CZ 1 ATOM 2745 N N . CYS A 1 342 ? 10.971 -14.367 -23.219 1.00 38.55 ? 343 CYS A N 1 ATOM 2746 C CA . CYS A 1 342 ? 11.965 -15.422 -23.003 1.00 40.75 ? 343 CYS A CA 1 ATOM 2747 C C . CYS A 1 342 ? 11.448 -16.844 -23.231 1.00 44.00 ? 343 CYS A C 1 ATOM 2748 O O . CYS A 1 342 ? 12.042 -17.814 -22.751 1.00 42.49 ? 343 CYS A O 1 ATOM 2749 C CB . CYS A 1 342 ? 12.584 -15.282 -21.610 1.00 41.61 ? 343 CYS A CB 1 ATOM 2750 S SG . CYS A 1 342 ? 13.415 -13.683 -21.346 1.00 45.69 ? 343 CYS A SG 1 ATOM 2751 N N . GLY A 1 343 ? 10.374 -16.976 -24.000 1.00 46.85 ? 344 GLY A N 1 ATOM 2752 C CA . GLY A 1 343 ? 9.883 -18.288 -24.379 1.00 50.51 ? 344 GLY A CA 1 ATOM 2753 C C . GLY A 1 343 ? 8.841 -18.721 -23.380 1.00 54.21 ? 344 GLY A C 1 ATOM 2754 O O . GLY A 1 343 ? 7.651 -18.612 -23.652 1.00 59.53 ? 344 GLY A O 1 ATOM 2755 N N . GLN A 1 344 ? 9.286 -19.135 -22.195 1.00 55.79 ? 345 GLN A N 1 ATOM 2756 C CA . GLN A 1 344 ? 8.390 -19.494 -21.103 1.00 59.60 ? 345 GLN A CA 1 ATOM 2757 C C . GLN A 1 344 ? 7.372 -18.426 -20.898 1.00 58.49 ? 345 GLN A C 1 ATOM 2758 O O . GLN A 1 344 ? 7.533 -17.345 -21.409 1.00 66.65 ? 345 GLN A O 1 ATOM 2759 C CB . GLN A 1 344 ? 9.130 -19.687 -19.802 1.00 61.72 ? 345 GLN A CB 1 ATOM 2760 C CG . GLN A 1 344 ? 10.325 -18.787 -19.575 1.00 64.67 ? 345 GLN A CG 1 ATOM 2761 C CD . GLN A 1 344 ? 11.562 -19.553 -19.168 1.00 64.38 ? 345 GLN A CD 1 ATOM 2762 O OE1 . GLN A 1 344 ? 12.648 -19.227 -19.589 1.00 69.02 ? 345 GLN A OE1 1 ATOM 2763 N NE2 . GLN A 1 344 ? 11.400 -20.571 -18.355 1.00 60.74 ? 345 GLN A NE2 1 ATOM 2764 N N . ASN A 1 345 ? 6.307 -18.725 -20.172 1.00 55.46 ? 346 ASN A N 1 ATOM 2765 C CA . ASN A 1 345 ? 5.279 -17.707 -19.920 1.00 54.06 ? 346 ASN A CA 1 ATOM 2766 C C . ASN A 1 345 ? 5.404 -17.194 -18.501 1.00 52.40 ? 346 ASN A C 1 ATOM 2767 O O . ASN A 1 345 ? 4.426 -17.046 -17.772 1.00 54.11 ? 346 ASN A O 1 ATOM 2768 C CB . ASN A 1 345 ? 3.879 -18.260 -20.169 1.00 52.98 ? 346 ASN A CB 1 ATOM 2769 C CG . ASN A 1 345 ? 2.966 -17.231 -20.800 1.00 54.07 ? 346 ASN A CG 1 ATOM 2770 O OD1 . ASN A 1 345 ? 2.661 -17.332 -21.977 1.00 61.39 ? 346 ASN A OD1 1 ATOM 2771 N ND2 . ASN A 1 345 ? 2.555 -16.217 -20.039 1.00 52.15 ? 346 ASN A ND2 1 ATOM 2772 N N . LEU A 1 346 ? 6.634 -16.916 -18.117 1.00 48.15 ? 347 LEU A N 1 ATOM 2773 C CA . LEU A 1 346 ? 6.950 -16.662 -16.745 1.00 43.65 ? 347 LEU A CA 1 ATOM 2774 C C . LEU A 1 346 ? 7.407 -15.238 -16.685 1.00 38.00 ? 347 LEU A C 1 ATOM 2775 O O . LEU A 1 346 ? 8.244 -14.809 -17.469 1.00 38.59 ? 347 LEU A O 1 ATOM 2776 C CB . LEU A 1 346 ? 8.074 -17.584 -16.310 1.00 44.72 ? 347 LEU A CB 1 ATOM 2777 C CG . LEU A 1 346 ? 8.121 -18.058 -14.864 1.00 45.06 ? 347 LEU A CG 1 ATOM 2778 C CD1 . LEU A 1 346 ? 9.529 -18.586 -14.629 1.00 47.62 ? 347 LEU A CD1 1 ATOM 2779 C CD2 . LEU A 1 346 ? 7.790 -16.984 -13.845 1.00 45.00 ? 347 LEU A CD2 1 ATOM 2780 N N . THR A 1 347 ? 6.860 -14.506 -15.746 1.00 32.81 ? 348 THR A N 1 ATOM 2781 C CA . THR A 1 347 ? 7.276 -13.148 -15.569 1.00 31.35 ? 348 THR A CA 1 ATOM 2782 C C . THR A 1 347 ? 8.296 -13.035 -14.423 1.00 27.79 ? 348 THR A C 1 ATOM 2783 O O . THR A 1 347 ? 8.143 -13.706 -13.390 1.00 26.10 ? 348 THR A O 1 ATOM 2784 C CB . THR A 1 347 ? 6.074 -12.251 -15.309 1.00 33.38 ? 348 THR A CB 1 ATOM 2785 O OG1 . THR A 1 347 ? 6.553 -10.987 -14.849 1.00 39.47 ? 348 THR A OG1 1 ATOM 2786 C CG2 . THR A 1 347 ? 5.138 -12.837 -14.256 1.00 34.77 ? 348 THR A CG2 1 ATOM 2787 N N . PHE A 1 348 ? 9.300 -12.167 -14.597 1.00 23.87 ? 349 PHE A N 1 ATOM 2788 C CA . PHE A 1 348 ? 10.442 -12.097 -13.691 1.00 23.25 ? 349 PHE A CA 1 ATOM 2789 C C . PHE A 1 348 ? 11.150 -13.444 -13.612 1.00 24.01 ? 349 PHE A C 1 ATOM 2790 O O . PHE A 1 348 ? 11.355 -13.985 -12.520 1.00 23.36 ? 349 PHE A O 1 ATOM 2791 C CB . PHE A 1 348 ? 10.064 -11.656 -12.271 1.00 22.77 ? 349 PHE A CB 1 ATOM 2792 C CG . PHE A 1 348 ? 9.357 -10.348 -12.214 1.00 22.98 ? 349 PHE A CG 1 ATOM 2793 C CD1 . PHE A 1 348 ? 10.069 -9.161 -12.319 1.00 23.32 ? 349 PHE A CD1 1 ATOM 2794 C CD2 . PHE A 1 348 ? 7.973 -10.295 -12.075 1.00 22.75 ? 349 PHE A CD2 1 ATOM 2795 C CE1 . PHE A 1 348 ? 9.411 -7.944 -12.295 1.00 23.26 ? 349 PHE A CE1 1 ATOM 2796 C CE2 . PHE A 1 348 ? 7.308 -9.084 -12.040 1.00 22.79 ? 349 PHE A CE2 1 ATOM 2797 C CZ . PHE A 1 348 ? 8.030 -7.905 -12.150 1.00 23.45 ? 349 PHE A CZ 1 ATOM 2798 N N . PRO A 1 349 ? 11.494 -14.017 -14.777 1.00 23.87 ? 350 PRO A N 1 ATOM 2799 C CA . PRO A 1 349 ? 12.171 -15.303 -14.754 1.00 23.31 ? 350 PRO A CA 1 ATOM 2800 C C . PRO A 1 349 ? 13.343 -15.266 -13.803 1.00 23.30 ? 350 PRO A C 1 ATOM 2801 O O . PRO A 1 349 ? 13.401 -16.070 -12.855 1.00 23.08 ? 350 PRO A O 1 ATOM 2802 C CB . PRO A 1 349 ? 12.647 -15.504 -16.209 1.00 23.24 ? 350 PRO A CB 1 ATOM 2803 C CG . PRO A 1 349 ? 12.304 -14.254 -16.954 1.00 23.64 ? 350 PRO A CG 1 ATOM 2804 C CD . PRO A 1 349 ? 11.273 -13.520 -16.145 1.00 23.93 ? 350 PRO A CD 1 ATOM 2805 N N . LEU A 1 350 ? 14.257 -14.328 -14.059 1.00 23.05 ? 351 LEU A N 1 ATOM 2806 C CA . LEU A 1 350 ? 15.485 -14.211 -13.293 1.00 22.96 ? 351 LEU A CA 1 ATOM 2807 C C . LEU A 1 350 ? 15.216 -14.056 -11.797 1.00 22.88 ? 351 LEU A C 1 ATOM 2808 O O . LEU A 1 350 ? 15.818 -14.748 -10.976 1.00 24.46 ? 351 LEU A O 1 ATOM 2809 C CB . LEU A 1 350 ? 16.310 -13.053 -13.824 1.00 23.16 ? 351 LEU A CB 1 ATOM 2810 C CG . LEU A 1 350 ? 17.499 -13.401 -14.709 1.00 24.82 ? 351 LEU A CG 1 ATOM 2811 C CD1 . LEU A 1 350 ? 17.342 -14.622 -15.599 1.00 25.83 ? 351 LEU A CD1 1 ATOM 2812 C CD2 . LEU A 1 350 ? 17.863 -12.196 -15.556 1.00 25.80 ? 351 LEU A CD2 1 ATOM 2813 N N . THR A 1 351 ? 14.294 -13.185 -11.426 1.00 22.31 ? 352 THR A N 1 ATOM 2814 C CA . THR A 1 351 ? 14.063 -12.961 -10.008 1.00 22.65 ? 352 THR A CA 1 ATOM 2815 C C . THR A 1 351 ? 13.365 -14.125 -9.316 1.00 23.83 ? 352 THR A C 1 ATOM 2816 O O . THR A 1 351 ? 13.672 -14.427 -8.165 1.00 27.72 ? 352 THR A O 1 ATOM 2817 C CB . THR A 1 351 ? 13.287 -11.664 -9.726 1.00 21.71 ? 352 THR A CB 1 ATOM 2818 O OG1 . THR A 1 351 ? 13.915 -10.553 -10.387 1.00 19.68 ? 352 THR A OG1 1 ATOM 2819 C CG2 . THR A 1 351 ? 13.264 -11.403 -8.236 1.00 21.60 ? 352 THR A CG2 1 ATOM 2820 N N . SER A 1 352 ? 12.432 -14.770 -9.996 1.00 24.12 ? 353 SER A N 1 ATOM 2821 C CA . SER A 1 352 ? 11.771 -15.961 -9.461 1.00 25.40 ? 353 SER A CA 1 ATOM 2822 C C . SER A 1 352 ? 12.717 -17.105 -9.167 1.00 24.03 ? 353 SER A C 1 ATOM 2823 O O . SER A 1 352 ? 12.545 -17.820 -8.187 1.00 23.74 ? 353 SER A O 1 ATOM 2824 C CB . SER A 1 352 ? 10.735 -16.486 -10.452 1.00 27.84 ? 353 SER A CB 1 ATOM 2825 O OG . SER A 1 352 ? 9.617 -15.626 -10.489 1.00 32.05 ? 353 SER A OG 1 ATOM 2826 N N . ALA A 1 353 ? 13.692 -17.293 -10.044 1.00 23.29 ? 354 ALA A N 1 ATOM 2827 C CA . ALA A 1 353 ? 14.698 -18.357 -9.902 1.00 22.64 ? 354 ALA A CA 1 ATOM 2828 C C . ALA A 1 353 ? 15.484 -18.217 -8.595 1.00 21.01 ? 354 ALA A C 1 ATOM 2829 O O . ALA A 1 353 ? 15.663 -19.169 -7.838 1.00 19.54 ? 354 ALA A O 1 ATOM 2830 C CB . ALA A 1 353 ? 15.638 -18.313 -11.099 1.00 23.03 ? 354 ALA A CB 1 ATOM 2831 N N . ILE A 1 354 ? 15.915 -16.994 -8.337 1.00 20.36 ? 355 ILE A N 1 ATOM 2832 C CA . ILE A 1 354 ? 16.515 -16.649 -7.054 1.00 20.70 ? 355 ILE A CA 1 ATOM 2833 C C . ILE A 1 354 ? 15.595 -16.988 -5.892 1.00 20.78 ? 355 ILE A C 1 ATOM 2834 O O . ILE A 1 354 ? 16.002 -17.666 -4.962 1.00 20.06 ? 355 ILE A O 1 ATOM 2835 C CB . ILE A 1 354 ? 16.857 -15.150 -6.968 1.00 20.28 ? 355 ILE A CB 1 ATOM 2836 C CG1 . ILE A 1 354 ? 17.774 -14.765 -8.113 1.00 19.94 ? 355 ILE A CG1 1 ATOM 2837 C CG2 . ILE A 1 354 ? 17.597 -14.868 -5.684 1.00 20.46 ? 355 ILE A CG2 1 ATOM 2838 C CD1 . ILE A 1 354 ? 17.994 -13.294 -8.297 1.00 19.92 ? 355 ILE A CD1 1 ATOM 2839 N N . LYS A 1 355 ? 14.365 -16.487 -5.955 1.00 22.15 ? 356 LYS A N 1 ATOM 2840 C CA . LYS A 1 355 ? 13.358 -16.673 -4.892 1.00 23.43 ? 356 LYS A CA 1 ATOM 2841 C C . LYS A 1 355 ? 13.052 -18.128 -4.596 1.00 23.50 ? 356 LYS A C 1 ATOM 2842 O O . LYS A 1 355 ? 12.941 -18.528 -3.450 1.00 22.28 ? 356 LYS A O 1 ATOM 2843 C CB . LYS A 1 355 ? 12.072 -15.981 -5.293 1.00 24.35 ? 356 LYS A CB 1 ATOM 2844 C CG . LYS A 1 355 ? 10.947 -16.134 -4.297 1.00 26.10 ? 356 LYS A CG 1 ATOM 2845 C CD . LYS A 1 355 ? 9.685 -15.511 -4.886 1.00 28.65 ? 356 LYS A CD 1 ATOM 2846 C CE . LYS A 1 355 ? 8.407 -16.068 -4.271 1.00 30.94 ? 356 LYS A CE 1 ATOM 2847 N NZ . LYS A 1 355 ? 8.167 -15.494 -2.916 1.00 32.78 ? 356 LYS A NZ 1 ATOM 2848 N N . ASP A 1 356 ? 12.888 -18.912 -5.649 1.00 25.90 ? 357 ASP A N 1 ATOM 2849 C CA . ASP A 1 356 ? 12.726 -20.355 -5.511 1.00 26.99 ? 357 ASP A CA 1 ATOM 2850 C C . ASP A 1 356 ? 13.918 -20.924 -4.768 1.00 25.40 ? 357 ASP A C 1 ATOM 2851 O O . ASP A 1 356 ? 13.752 -21.645 -3.801 1.00 25.48 ? 357 ASP A O 1 ATOM 2852 C CB . ASP A 1 356 ? 12.654 -21.034 -6.878 1.00 29.47 ? 357 ASP A CB 1 ATOM 2853 C CG . ASP A 1 356 ? 11.369 -20.730 -7.635 1.00 33.58 ? 357 ASP A CG 1 ATOM 2854 O OD1 . ASP A 1 356 ? 10.419 -20.146 -7.020 1.00 34.97 ? 357 ASP A OD1 1 ATOM 2855 O OD2 . ASP A 1 356 ? 11.332 -21.083 -8.859 1.00 34.85 ? 357 ASP A OD2 1 ATOM 2856 N N . VAL A 1 357 ? 15.119 -20.615 -5.239 1.00 23.84 ? 358 VAL A N 1 ATOM 2857 C CA . VAL A 1 357 ? 16.315 -21.156 -4.624 1.00 24.04 ? 358 VAL A CA 1 ATOM 2858 C C . VAL A 1 357 ? 16.436 -20.700 -3.183 1.00 24.60 ? 358 VAL A C 1 ATOM 2859 O O . VAL A 1 357 ? 16.857 -21.475 -2.333 1.00 25.41 ? 358 VAL A O 1 ATOM 2860 C CB . VAL A 1 357 ? 17.595 -20.731 -5.345 1.00 23.92 ? 358 VAL A CB 1 ATOM 2861 C CG1 . VAL A 1 357 ? 18.827 -21.123 -4.537 1.00 23.67 ? 358 VAL A CG1 1 ATOM 2862 C CG2 . VAL A 1 357 ? 17.647 -21.346 -6.725 1.00 24.22 ? 358 VAL A CG2 1 ATOM 2863 N N . LEU A 1 358 ? 16.092 -19.450 -2.903 1.00 24.12 ? 359 LEU A N 1 ATOM 2864 C CA . LEU A 1 358 ? 16.186 -18.937 -1.535 1.00 25.13 ? 359 LEU A CA 1 ATOM 2865 C C . LEU A 1 358 ? 15.295 -19.695 -0.548 1.00 26.89 ? 359 LEU A C 1 ATOM 2866 O O . LEU A 1 358 ? 15.533 -19.650 0.634 1.00 27.83 ? 359 LEU A O 1 ATOM 2867 C CB . LEU A 1 358 ? 15.881 -17.428 -1.495 1.00 25.25 ? 359 LEU A CB 1 ATOM 2868 C CG . LEU A 1 358 ? 17.006 -16.384 -1.240 1.00 24.89 ? 359 LEU A CG 1 ATOM 2869 C CD1 . LEU A 1 358 ? 18.411 -16.874 -1.515 1.00 24.98 ? 359 LEU A CD1 1 ATOM 2870 C CD2 . LEU A 1 358 ? 16.767 -15.111 -2.009 1.00 24.44 ? 359 LEU A CD2 1 ATOM 2871 N N . ALA A 1 359 ? 14.299 -20.415 -1.053 1.00 30.72 ? 360 ALA A N 1 ATOM 2872 C CA . ALA A 1 359 ? 13.319 -21.144 -0.243 1.00 31.95 ? 360 ALA A CA 1 ATOM 2873 C C . ALA A 1 359 ? 13.661 -22.616 -0.064 1.00 37.03 ? 360 ALA A C 1 ATOM 2874 O O . ALA A 1 359 ? 13.003 -23.308 0.706 1.00 37.72 ? 360 ALA A O 1 ATOM 2875 C CB . ALA A 1 359 ? 11.947 -21.031 -0.888 1.00 29.57 ? 360 ALA A CB 1 ATOM 2876 N N . ARG A 1 360 ? 14.658 -23.107 -0.796 1.00 44.83 ? 361 ARG A N 1 ATOM 2877 C CA . ARG A 1 360 ? 15.099 -24.511 -0.677 1.00 51.69 ? 361 ARG A CA 1 ATOM 2878 C C . ARG A 1 360 ? 15.834 -24.805 0.646 1.00 55.74 ? 361 ARG A C 1 ATOM 2879 O O . ARG A 1 360 ? 16.003 -23.933 1.501 1.00 51.83 ? 361 ARG A O 1 ATOM 2880 C CB . ARG A 1 360 ? 16.023 -24.901 -1.852 1.00 54.31 ? 361 ARG A CB 1 ATOM 2881 C CG . ARG A 1 360 ? 15.328 -25.605 -3.000 1.00 58.62 ? 361 ARG A CG 1 ATOM 2882 C CD . ARG A 1 360 ? 15.070 -24.692 -4.190 1.00 64.32 ? 361 ARG A CD 1 ATOM 2883 N NE . ARG A 1 360 ? 15.749 -25.132 -5.427 1.00 70.95 ? 361 ARG A NE 1 ATOM 2884 C CZ . ARG A 1 360 ? 15.464 -24.690 -6.664 1.00 75.06 ? 361 ARG A CZ 1 ATOM 2885 N NH1 . ARG A 1 360 ? 14.512 -23.782 -6.850 1.00 80.68 ? 361 ARG A NH1 1 ATOM 2886 N NH2 . ARG A 1 360 ? 16.111 -25.161 -7.733 1.00 70.93 ? 361 ARG A NH2 1 ATOM 2887 N N . VAL A 1 361 ? 16.231 -26.046 0.782 1.00 65.78 ? 362 VAL A N 1 ATOM 2888 C CA . VAL A 1 361 ? 17.093 -26.478 1.841 1.00 74.69 ? 362 VAL A CA 1 ATOM 2889 C C . VAL A 1 361 ? 18.481 -26.636 1.232 1.00 82.03 ? 362 VAL A C 1 ATOM 2890 O O . VAL A 1 361 ? 19.345 -25.695 1.332 1.00 86.65 ? 362 VAL A O 1 ATOM 2891 C CB . VAL A 1 361 ? 16.560 -27.796 2.411 1.00 75.42 ? 362 VAL A CB 1 ATOM 2892 C CG1 . VAL A 1 361 ? 17.648 -28.702 2.994 1.00 76.56 ? 362 VAL A CG1 1 ATOM 2893 C CG2 . VAL A 1 361 ? 15.507 -27.486 3.445 1.00 76.51 ? 362 VAL A CG2 1 ATOM 2894 O OXT . VAL A 1 361 ? 18.645 -27.754 0.665 1.00 83.21 ? 362 VAL A OXT 1 HETATM 2895 C C1 . NAG B 2 . ? 17.757 17.974 -7.665 1.00 33.95 ? 401 NAG A C1 1 HETATM 2896 C C2 . NAG B 2 . ? 17.175 18.556 -8.955 1.00 36.50 ? 401 NAG A C2 1 HETATM 2897 C C3 . NAG B 2 . ? 18.013 19.718 -9.484 1.00 41.00 ? 401 NAG A C3 1 HETATM 2898 C C4 . NAG B 2 . ? 18.302 20.724 -8.389 1.00 40.94 ? 401 NAG A C4 1 HETATM 2899 C C5 . NAG B 2 . ? 19.038 19.901 -7.324 1.00 35.68 ? 401 NAG A C5 1 HETATM 2900 C C6 . NAG B 2 . ? 19.663 20.688 -6.184 1.00 33.09 ? 401 NAG A C6 1 HETATM 2901 C C7 . NAG B 2 . ? 16.020 16.986 -10.433 1.00 39.23 ? 401 NAG A C7 1 HETATM 2902 C C8 . NAG B 2 . ? 16.146 16.012 -11.582 1.00 39.47 ? 401 NAG A C8 1 HETATM 2903 N N2 . NAG B 2 . ? 17.154 17.573 -10.023 1.00 36.20 ? 401 NAG A N2 1 HETATM 2904 O O3 . NAG B 2 . ? 17.414 20.381 -10.588 1.00 44.42 ? 401 NAG A O3 1 HETATM 2905 O O4 . NAG B 2 . ? 18.980 21.767 -9.100 1.00 52.19 ? 401 NAG A O4 1 HETATM 2906 O O5 . NAG B 2 . ? 18.101 18.990 -6.767 1.00 31.83 ? 401 NAG A O5 1 HETATM 2907 O O6 . NAG B 2 . ? 18.687 21.525 -5.611 1.00 32.05 ? 401 NAG A O6 1 HETATM 2908 O O7 . NAG B 2 . ? 14.898 17.204 -9.944 1.00 37.29 ? 401 NAG A O7 1 HETATM 2909 C C1 . GOL C 3 . ? 2.236 9.374 -15.636 1.00 43.47 ? 402 GOL A C1 1 HETATM 2910 O O1 . GOL C 3 . ? 1.746 8.586 -16.746 1.00 42.34 ? 402 GOL A O1 1 HETATM 2911 C C2 . GOL C 3 . ? 1.449 9.219 -14.292 1.00 42.00 ? 402 GOL A C2 1 HETATM 2912 O O2 . GOL C 3 . ? 2.133 8.330 -13.376 1.00 36.27 ? 402 GOL A O2 1 HETATM 2913 C C3 . GOL C 3 . ? 1.245 10.573 -13.545 1.00 42.00 ? 402 GOL A C3 1 HETATM 2914 O O3 . GOL C 3 . ? -0.109 11.076 -13.418 1.00 39.02 ? 402 GOL A O3 1 HETATM 2915 O "O5'" . RIB D 4 . ? 27.202 0.223 -10.900 0.70 43.16 ? 403 RIB A "O5'" 1 HETATM 2916 C "C5'" . RIB D 4 . ? 26.474 1.421 -10.743 0.70 40.27 ? 403 RIB A "C5'" 1 HETATM 2917 C "C4'" . RIB D 4 . ? 25.189 0.835 -10.237 0.70 38.04 ? 403 RIB A "C4'" 1 HETATM 2918 O "O4'" . RIB D 4 . ? 24.907 1.076 -8.868 0.70 37.50 ? 403 RIB A "O4'" 1 HETATM 2919 C "C3'" . RIB D 4 . ? 23.935 1.281 -10.900 0.70 38.21 ? 403 RIB A "C3'" 1 HETATM 2920 O "O3'" . RIB D 4 . ? 23.824 0.723 -12.188 0.70 37.78 ? 403 RIB A "O3'" 1 HETATM 2921 C "C2'" . RIB D 4 . ? 23.000 0.713 -9.873 0.70 39.46 ? 403 RIB A "C2'" 1 HETATM 2922 O "O2'" . RIB D 4 . ? 23.077 -0.705 -9.594 0.70 40.06 ? 403 RIB A "O2'" 1 HETATM 2923 C "C1'" . RIB D 4 . ? 23.595 1.479 -8.746 0.70 37.81 ? 403 RIB A "C1'" 1 HETATM 2924 O "O1'" . RIB D 4 . ? 23.076 1.124 -7.491 0.70 38.57 ? 403 RIB A "O1'" 1 HETATM 2925 O O . HOH E 5 . ? 21.255 23.210 6.124 1.00 8.48 ? 501 HOH A O 1 HETATM 2926 O O . HOH E 5 . ? 31.227 17.376 10.146 1.00 42.10 ? 502 HOH A O 1 HETATM 2927 O O . HOH E 5 . ? 35.637 13.985 -1.594 1.00 29.33 ? 503 HOH A O 1 HETATM 2928 O O . HOH E 5 . ? 6.098 4.064 7.467 1.00 22.93 ? 504 HOH A O 1 HETATM 2929 O O . HOH E 5 . ? 38.199 10.096 5.914 1.00 11.95 ? 505 HOH A O 1 HETATM 2930 O O . HOH E 5 . ? 36.606 17.058 6.470 1.00 32.03 ? 506 HOH A O 1 HETATM 2931 O O . HOH E 5 . ? 29.725 -16.571 6.618 1.00 35.30 ? 507 HOH A O 1 HETATM 2932 O O . HOH E 5 . ? 38.702 -12.009 -11.144 1.00 25.33 ? 508 HOH A O 1 HETATM 2933 O O . HOH E 5 . ? 25.998 -21.748 -29.115 1.00 33.37 ? 509 HOH A O 1 HETATM 2934 O O . HOH E 5 . ? 4.148 -8.196 -23.709 1.00 34.48 ? 510 HOH A O 1 HETATM 2935 O O . HOH E 5 . ? 2.692 9.732 -2.446 1.00 13.73 ? 511 HOH A O 1 HETATM 2936 O O . HOH E 5 . ? 15.050 21.114 -9.842 1.00 14.07 ? 512 HOH A O 1 HETATM 2937 O O . HOH E 5 . ? 20.948 9.138 -9.584 1.00 37.54 ? 513 HOH A O 1 HETATM 2938 O O . HOH E 5 . ? 12.992 13.943 11.799 1.00 26.24 ? 514 HOH A O 1 HETATM 2939 O O . HOH E 5 . ? 31.488 -18.958 5.233 1.00 34.59 ? 515 HOH A O 1 HETATM 2940 O O . HOH E 5 . ? 4.999 -4.110 5.704 1.00 28.01 ? 516 HOH A O 1 HETATM 2941 O O . HOH E 5 . ? 32.308 -10.492 9.489 1.00 22.85 ? 517 HOH A O 1 HETATM 2942 O O . HOH E 5 . ? 26.924 -18.306 -11.332 1.00 21.40 ? 518 HOH A O 1 HETATM 2943 O O . HOH E 5 . ? 19.854 -21.184 -17.516 1.00 28.48 ? 519 HOH A O 1 HETATM 2944 O O . HOH E 5 . ? 31.788 13.470 10.203 1.00 35.03 ? 520 HOH A O 1 HETATM 2945 O O . HOH E 5 . ? 38.280 0.225 -26.813 1.00 32.09 ? 521 HOH A O 1 HETATM 2946 O O . HOH E 5 . ? 26.543 -11.095 -9.229 1.00 22.95 ? 522 HOH A O 1 HETATM 2947 O O . HOH E 5 . ? 30.355 -2.418 -7.900 1.00 21.92 ? 523 HOH A O 1 HETATM 2948 O O . HOH E 5 . ? 31.502 -4.737 -8.932 1.00 33.76 ? 524 HOH A O 1 HETATM 2949 O O . HOH E 5 . ? 38.331 13.822 5.305 1.00 33.12 ? 525 HOH A O 1 HETATM 2950 O O . HOH E 5 . ? 15.651 -17.027 -26.203 1.00 40.69 ? 526 HOH A O 1 HETATM 2951 O O . HOH E 5 . ? 26.290 4.424 -0.470 1.00 31.13 ? 527 HOH A O 1 HETATM 2952 O O . HOH E 5 . ? 40.306 -14.445 -5.534 1.00 28.54 ? 528 HOH A O 1 HETATM 2953 O O . HOH E 5 . ? 7.373 1.096 9.213 1.00 21.55 ? 529 HOH A O 1 HETATM 2954 O O . HOH E 5 . ? 39.046 -10.698 9.678 1.00 34.67 ? 530 HOH A O 1 HETATM 2955 O O . HOH E 5 . ? 15.424 -17.577 -22.567 1.00 31.57 ? 531 HOH A O 1 HETATM 2956 O O . HOH E 5 . ? 37.183 16.757 3.306 1.00 31.69 ? 532 HOH A O 1 HETATM 2957 O O . HOH E 5 . ? 0.847 12.694 -10.755 1.00 22.74 ? 533 HOH A O 1 HETATM 2958 O O . HOH E 5 . ? 27.251 -25.456 -10.893 1.00 24.40 ? 534 HOH A O 1 HETATM 2959 O O . HOH E 5 . ? 26.092 -23.141 -12.839 1.00 29.04 ? 535 HOH A O 1 HETATM 2960 O O . HOH E 5 . ? 3.709 -1.580 -16.127 1.00 43.92 ? 536 HOH A O 1 HETATM 2961 O O . HOH E 5 . ? 0.341 -2.876 -15.334 1.00 42.03 ? 537 HOH A O 1 HETATM 2962 O O . HOH E 5 . ? 35.569 -11.926 -17.658 1.00 29.70 ? 538 HOH A O 1 HETATM 2963 O O . HOH E 5 . ? 9.215 -7.888 -19.961 1.00 49.42 ? 539 HOH A O 1 HETATM 2964 O O . HOH E 5 . ? 4.181 -15.164 -22.916 1.00 37.10 ? 540 HOH A O 1 HETATM 2965 O O . HOH E 5 . ? 26.966 -21.952 -6.112 1.00 18.21 ? 541 HOH A O 1 HETATM 2966 O O . HOH E 5 . ? 31.457 1.039 -30.474 1.00 49.34 ? 542 HOH A O 1 HETATM 2967 O O . HOH E 5 . ? 40.015 3.526 -22.591 1.00 40.00 ? 543 HOH A O 1 HETATM 2968 O O . HOH E 5 . ? 43.356 -0.477 -1.771 1.00 22.26 ? 544 HOH A O 1 HETATM 2969 O O . HOH E 5 . ? 6.627 -15.927 -0.450 1.00 26.37 ? 545 HOH A O 1 HETATM 2970 O O . HOH E 5 . ? 29.617 -1.935 -22.096 1.00 35.85 ? 546 HOH A O 1 HETATM 2971 O O . HOH E 5 . ? 2.675 7.438 -1.336 1.00 31.07 ? 547 HOH A O 1 HETATM 2972 O O . HOH E 5 . ? 25.694 9.530 -5.103 1.00 38.80 ? 548 HOH A O 1 HETATM 2973 O O . HOH E 5 . ? 11.028 -19.531 -11.567 1.00 52.74 ? 549 HOH A O 1 HETATM 2974 O O . HOH E 5 . ? 21.223 10.127 19.811 1.00 29.71 ? 550 HOH A O 1 HETATM 2975 O O . HOH E 5 . ? 34.374 15.441 2.531 1.00 29.48 ? 551 HOH A O 1 HETATM 2976 O O . HOH E 5 . ? 37.061 -8.754 -14.897 1.00 31.83 ? 552 HOH A O 1 HETATM 2977 O O . HOH E 5 . ? 38.616 10.575 -3.125 1.00 23.48 ? 553 HOH A O 1 HETATM 2978 O O . HOH E 5 . ? 34.441 8.776 -6.072 1.00 32.18 ? 554 HOH A O 1 HETATM 2979 O O . HOH E 5 . ? 4.307 5.570 6.449 1.00 30.19 ? 555 HOH A O 1 HETATM 2980 O O . HOH E 5 . ? 24.832 -9.568 -16.102 1.00 14.49 ? 556 HOH A O 1 HETATM 2981 O O . HOH E 5 . ? 11.919 5.225 12.849 1.00 14.79 ? 557 HOH A O 1 HETATM 2982 O O . HOH E 5 . ? 20.384 -0.231 -24.283 1.00 24.26 ? 558 HOH A O 1 HETATM 2983 O O . HOH E 5 . ? 12.310 -1.790 -19.009 1.00 36.07 ? 559 HOH A O 1 HETATM 2984 O O . HOH E 5 . ? 21.109 -10.790 -17.871 1.00 38.80 ? 560 HOH A O 1 HETATM 2985 O O . HOH E 5 . ? 32.857 -21.070 -23.188 1.00 33.41 ? 561 HOH A O 1 HETATM 2986 O O . HOH E 5 . ? 15.537 8.775 -10.208 1.00 27.05 ? 562 HOH A O 1 HETATM 2987 O O . HOH E 5 . ? 23.606 -2.215 -25.588 1.00 12.84 ? 563 HOH A O 1 HETATM 2988 O O . HOH E 5 . ? 34.711 1.661 17.963 1.00 31.68 ? 564 HOH A O 1 HETATM 2989 O O . HOH E 5 . ? 32.549 4.920 6.295 1.00 33.23 ? 565 HOH A O 1 HETATM 2990 O O . HOH E 5 . ? 8.158 6.083 23.543 1.00 23.75 ? 566 HOH A O 1 HETATM 2991 O O . HOH E 5 . ? 30.726 -7.317 -19.191 1.00 27.75 ? 567 HOH A O 1 HETATM 2992 O O . HOH E 5 . ? 37.204 -8.877 -31.182 1.00 50.05 ? 568 HOH A O 1 HETATM 2993 O O . HOH E 5 . ? 38.020 12.879 -1.214 1.00 24.12 ? 569 HOH A O 1 HETATM 2994 O O . HOH E 5 . ? 36.738 -0.149 -7.123 1.00 23.10 ? 570 HOH A O 1 HETATM 2995 O O . HOH E 5 . ? 14.537 -22.350 -9.109 1.00 49.10 ? 571 HOH A O 1 HETATM 2996 O O . HOH E 5 . ? 24.480 -24.131 3.230 1.00 54.87 ? 572 HOH A O 1 HETATM 2997 O O . HOH E 5 . ? 36.564 -0.570 6.331 1.00 25.78 ? 573 HOH A O 1 HETATM 2998 O O . HOH E 5 . ? 12.746 9.558 -8.972 1.00 54.06 ? 574 HOH A O 1 HETATM 2999 O O . HOH E 5 . ? 26.003 -12.873 10.909 1.00 37.60 ? 575 HOH A O 1 HETATM 3000 O O . HOH E 5 . ? 15.943 3.427 -20.089 1.00 27.84 ? 576 HOH A O 1 HETATM 3001 O O . HOH E 5 . ? 9.341 -5.956 -21.605 1.00 40.40 ? 577 HOH A O 1 HETATM 3002 O O . HOH E 5 . ? 21.951 22.898 -8.737 1.00 31.75 ? 578 HOH A O 1 HETATM 3003 O O . HOH E 5 . ? 33.977 -17.695 -27.858 1.00 44.61 ? 579 HOH A O 1 HETATM 3004 O O . HOH E 5 . ? 26.081 -20.484 -13.600 1.00 36.61 ? 580 HOH A O 1 HETATM 3005 O O . HOH E 5 . ? 25.568 -24.330 -6.807 1.00 21.18 ? 581 HOH A O 1 HETATM 3006 O O . HOH E 5 . ? 11.110 -13.755 -1.644 1.00 23.53 ? 582 HOH A O 1 HETATM 3007 O O . HOH E 5 . ? 5.029 12.751 7.905 1.00 27.76 ? 583 HOH A O 1 HETATM 3008 O O . HOH E 5 . ? 40.623 16.882 -3.904 1.00 61.25 ? 584 HOH A O 1 HETATM 3009 O O . HOH E 5 . ? 40.286 -13.223 -14.112 1.00 61.53 ? 585 HOH A O 1 HETATM 3010 O O . HOH E 5 . ? 20.596 20.180 -1.433 1.00 24.51 ? 586 HOH A O 1 HETATM 3011 O O . HOH E 5 . ? 34.865 6.167 9.625 1.00 30.17 ? 587 HOH A O 1 HETATM 3012 O O . HOH E 5 . ? 18.261 24.197 -3.625 1.00 35.91 ? 588 HOH A O 1 HETATM 3013 O O . HOH E 5 . ? 12.159 2.529 -25.856 1.00 48.64 ? 589 HOH A O 1 HETATM 3014 O O . HOH E 5 . ? 35.399 -22.022 -20.382 1.00 34.93 ? 590 HOH A O 1 HETATM 3015 O O . HOH E 5 . ? 11.878 -16.988 -1.196 1.00 32.55 ? 591 HOH A O 1 HETATM 3016 O O . HOH E 5 . ? 7.237 -10.487 2.176 1.00 37.74 ? 592 HOH A O 1 HETATM 3017 O O . HOH E 5 . ? 12.793 -17.343 1.600 1.00 38.98 ? 593 HOH A O 1 HETATM 3018 O O . HOH E 5 . ? 9.396 -15.003 2.511 1.00 22.40 ? 594 HOH A O 1 HETATM 3019 O O . HOH E 5 . ? 7.761 -14.154 4.391 1.00 25.49 ? 595 HOH A O 1 HETATM 3020 O O . HOH E 5 . ? 19.241 24.174 -9.790 1.00 40.33 ? 596 HOH A O 1 HETATM 3021 O O . HOH E 5 . ? 17.370 29.342 -8.467 1.00 12.78 ? 597 HOH A O 1 HETATM 3022 O O . HOH E 5 . ? 25.663 -22.532 10.779 1.00 27.32 ? 598 HOH A O 1 HETATM 3023 O O . HOH E 5 . ? 34.254 8.369 11.684 1.00 30.27 ? 599 HOH A O 1 HETATM 3024 O O . HOH E 5 . ? -1.978 10.422 -9.743 1.00 35.99 ? 600 HOH A O 1 HETATM 3025 O O . HOH E 5 . ? -2.218 9.851 -12.547 1.00 25.46 ? 601 HOH A O 1 HETATM 3026 O O . HOH E 5 . ? 17.681 -19.217 -18.500 1.00 24.34 ? 602 HOH A O 1 HETATM 3027 O O . HOH E 5 . ? 1.520 -13.737 -18.292 1.00 26.40 ? 603 HOH A O 1 HETATM 3028 O O . HOH E 5 . ? 3.166 11.051 7.775 1.00 28.28 ? 604 HOH A O 1 HETATM 3029 O O . HOH E 5 . ? 5.431 -12.695 3.412 1.00 40.15 ? 605 HOH A O 1 HETATM 3030 O O . HOH E 5 . ? 11.826 17.445 -9.083 1.00 21.49 ? 606 HOH A O 1 HETATM 3031 O O . HOH E 5 . ? 20.099 0.801 -14.963 1.00 30.00 ? 607 HOH A O 1 HETATM 3032 O O . HOH E 5 . ? 18.993 2.674 -17.999 1.00 30.00 ? 608 HOH A O 1 HETATM 3033 O O . HOH E 5 . ? 4.635 -15.689 -13.962 1.00 30.00 ? 609 HOH A O 1 HETATM 3034 O O . HOH E 5 . ? 27.402 -14.579 -36.002 1.00 30.00 ? 610 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 1 1 TYR TYR A . n A 1 2 LYS 2 2 2 LYS LYS A . n A 1 3 LEU 3 3 3 LEU LEU A . n A 1 4 ILE 4 4 4 ILE ILE A . n A 1 5 CYS 5 5 5 CYS CYS A . n A 1 6 TYR 6 6 6 TYR TYR A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 TRP 10 10 10 TRP TRP A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 GLN 12 12 12 GLN GLN A . n A 1 13 TYR 13 13 13 TYR TYR A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 GLY 18 18 18 GLY GLY A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 CYS 20 20 20 CYS CYS A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 PRO 22 22 22 PRO PRO A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ILE 25 25 25 ILE ILE A . n A 1 26 ASP 26 26 26 ASP ASP A . n A 1 27 PRO 27 27 27 PRO PRO A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 CYS 30 30 30 CYS CYS A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 HIS 32 32 32 HIS HIS A . n A 1 33 VAL 33 33 33 VAL VAL A . n A 1 34 ILE 34 34 34 ILE ILE A . n A 1 35 TYR 35 35 35 TYR TYR A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 ASN 39 39 39 ASN ASN A . n A 1 40 ILE 40 40 40 ILE ILE A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASN 43 43 43 ASN ASN A . n A 1 44 GLU 44 44 44 GLU GLU A . n A 1 45 ILE 45 45 45 ILE ILE A . n A 1 46 ASP 46 46 46 ASP ASP A . n A 1 47 THR 47 47 47 THR THR A . n A 1 48 TRP 48 48 48 TRP TRP A . n A 1 49 GLU 49 49 49 GLU GLU A . n A 1 50 TRP 50 50 50 TRP TRP A . n A 1 51 ASN 51 51 51 ASN ASN A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 VAL 53 53 53 VAL VAL A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 TYR 56 56 56 TYR TYR A . n A 1 57 ASP 57 57 57 ASP ASP A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 LYS 63 63 63 LYS LYS A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 ARG 65 65 65 ARG ARG A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 PRO 67 67 67 PRO PRO A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 THR 71 71 71 THR THR A . n A 1 72 LEU 72 72 72 LEU LEU A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 SER 74 74 74 SER SER A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 GLY 77 77 77 GLY GLY A . n A 1 78 TRP 78 78 78 TRP TRP A . n A 1 79 ASN 79 79 79 ASN ASN A . n A 1 80 TYR 80 80 80 TYR TYR A . n A 1 81 GLY 81 81 81 GLY GLY A . n A 1 82 SER 82 82 82 SER SER A . n A 1 83 GLN 83 83 83 GLN GLN A . n A 1 84 ARG 84 84 84 ARG ARG A . n A 1 85 PHE 85 85 85 PHE PHE A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 ILE 88 88 88 ILE ILE A . n A 1 89 ALA 89 89 89 ALA ALA A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 THR 92 92 92 THR THR A . n A 1 93 GLN 93 93 93 GLN GLN A . n A 1 94 SER 94 94 94 SER SER A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 THR 97 97 97 THR THR A . n A 1 98 PHE 98 98 98 PHE PHE A . n A 1 99 ILE 99 99 99 ILE ILE A . n A 1 100 LYS 100 100 100 LYS LYS A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 VAL 102 102 102 VAL VAL A . n A 1 103 PRO 103 103 103 PRO PRO A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 PHE 105 105 105 PHE PHE A . n A 1 106 LEU 106 106 106 LEU LEU A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 HIS 109 109 109 HIS HIS A . n A 1 110 GLY 110 110 110 GLY GLY A . n A 1 111 PHE 111 111 111 PHE PHE A . n A 1 112 ASP 112 112 112 ASP ASP A . n A 1 113 GLY 113 113 113 GLY GLY A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 ASP 115 115 115 ASP ASP A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 TRP 118 118 118 TRP TRP A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 TRP 120 120 120 TRP TRP A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 TRP 123 123 123 TRP TRP A . n A 1 124 ARG 124 124 124 ARG ARG A . n A 1 125 ASP 125 125 125 ASP ASP A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 HIS 128 128 128 HIS HIS A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 LEU 132 132 132 LEU LEU A . n A 1 133 VAL 133 133 133 VAL VAL A . n A 1 134 LYS 134 134 134 LYS LYS A . n A 1 135 GLU 135 135 135 GLU GLU A . n A 1 136 MET 136 136 136 MET MET A . n A 1 137 LYS 137 137 137 LYS LYS A . n A 1 138 ALA 138 138 138 ALA ALA A . n A 1 139 GLU 139 139 139 GLU GLU A . n A 1 140 PHE 140 140 140 PHE PHE A . n A 1 141 VAL 141 141 141 VAL VAL A . n A 1 142 ARG 142 142 142 ARG ARG A . n A 1 143 GLU 143 143 143 GLU GLU A . n A 1 144 ALA 144 144 144 ALA ALA A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 GLY 147 147 147 GLY GLY A . n A 1 148 THR 148 148 148 THR THR A . n A 1 149 GLU 149 149 149 GLU GLU A . n A 1 150 GLN 150 150 150 GLN GLN A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 LEU 153 153 153 LEU LEU A . n A 1 154 SER 154 154 154 SER SER A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 VAL 157 157 157 VAL VAL A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLY 160 160 160 GLY GLY A . n A 1 161 LYS 161 161 161 LYS LYS 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 ILE 164 164 164 ILE ILE A . n A 1 165 ASP 165 165 165 ASP ASP A . n A 1 166 ARG 166 166 166 ARG ARG A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 TYR 168 168 168 TYR TYR A . n A 1 169 ASP 169 169 169 ASP ASP A . n A 1 170 ILE 170 170 170 ILE ILE A . n A 1 171 ALA 171 171 171 ALA ALA A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 ARG 175 175 175 ARG ARG A . n A 1 176 HIS 176 176 176 HIS HIS A . n A 1 177 LEU 177 177 177 LEU LEU A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 PHE 179 179 179 PHE PHE A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 LEU 182 182 182 LEU LEU A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 TYR 185 185 185 TYR TYR A . n A 1 186 ASP 186 186 186 ASP ASP A . n A 1 187 PHE 187 187 187 PHE PHE A . n A 1 188 HIS 188 188 188 HIS HIS A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 ALA 190 190 190 ALA ALA A . n A 1 191 TRP 191 191 191 TRP TRP A . n A 1 192 ARG 192 192 192 ARG ARG A . n A 1 193 GLN 193 193 193 GLN GLN A . n A 1 194 THR 194 194 194 THR THR A . n A 1 195 VAL 195 195 195 VAL VAL A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 HIS 197 197 197 HIS HIS A . n A 1 198 HIS 198 198 198 HIS HIS A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 PRO 200 200 200 PRO PRO A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 PHE 202 202 202 PHE PHE A . n A 1 203 ARG 203 203 203 ARG ARG A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 GLU 206 206 206 GLU GLU A . n A 1 207 ASP 207 207 207 ASP ASP A . n A 1 208 ALA 208 208 208 ALA ALA A . n A 1 209 SER 209 209 209 SER SER A . n A 1 210 SER 210 210 210 SER SER A . n A 1 211 ARG 211 212 212 ARG ARG A . n A 1 212 PHE 212 213 213 PHE PHE A . n A 1 213 SER 213 214 214 SER SER A . n A 1 214 ASN 214 215 215 ASN ASN A . n A 1 215 ALA 215 216 216 ALA ALA A . n A 1 216 ASP 216 217 217 ASP ASP A . n A 1 217 TYR 217 218 218 TYR TYR A . n A 1 218 ALA 218 219 219 ALA ALA A . n A 1 219 VAL 219 220 220 VAL VAL A . n A 1 220 SER 220 221 221 SER SER A . n A 1 221 TYR 221 222 222 TYR TYR A . n A 1 222 MET 222 223 223 MET MET A . n A 1 223 LEU 223 224 224 LEU LEU A . n A 1 224 ARG 224 225 225 ARG ARG A . n A 1 225 LEU 225 226 226 LEU LEU A . n A 1 226 GLY 226 227 227 GLY GLY A . n A 1 227 ALA 227 228 228 ALA ALA A . n A 1 228 PRO 228 229 229 PRO PRO A . n A 1 229 ALA 229 230 230 ALA ALA A . n A 1 230 ASN 230 231 231 ASN ASN A . n A 1 231 LYS 231 232 232 LYS LYS A . n A 1 232 LEU 232 233 233 LEU LEU A . n A 1 233 VAL 233 234 234 VAL VAL A . n A 1 234 MET 234 235 235 MET MET A . n A 1 235 GLY 235 236 236 GLY GLY A . n A 1 236 ILE 236 237 237 ILE ILE A . n A 1 237 PRO 237 238 238 PRO PRO A . n A 1 238 THR 238 239 239 THR THR A . n A 1 239 PHE 239 240 240 PHE PHE A . n A 1 240 GLY 240 241 241 GLY GLY A . n A 1 241 ARG 241 242 242 ARG ARG A . n A 1 242 SER 242 243 243 SER SER A . n A 1 243 TYR 243 244 244 TYR TYR A . n A 1 244 THR 244 245 245 THR THR A . n A 1 245 LEU 245 246 246 LEU LEU A . n A 1 246 ALA 246 247 247 ALA ALA A . n A 1 247 SER 247 248 248 SER SER A . n A 1 248 SER 248 249 249 SER SER A . n A 1 249 LYS 249 250 250 LYS LYS A . n A 1 250 THR 250 251 251 THR THR A . n A 1 251 ASP 251 252 252 ASP ASP A . n A 1 252 VAL 252 253 253 VAL VAL A . n A 1 253 GLY 253 254 254 GLY GLY A . n A 1 254 ALA 254 255 255 ALA ALA A . n A 1 255 PRO 255 256 256 PRO PRO A . n A 1 256 ILE 256 257 257 ILE ILE A . n A 1 257 SER 257 258 258 SER SER A . n A 1 258 GLY 258 259 259 GLY GLY A . n A 1 259 PRO 259 260 260 PRO PRO A . n A 1 260 GLY 260 261 261 GLY GLY A . n A 1 261 ILE 261 262 262 ILE ILE A . n A 1 262 PRO 262 263 263 PRO PRO A . n A 1 263 GLY 263 264 264 GLY GLY A . n A 1 264 ARG 264 265 265 ARG ARG A . n A 1 265 PHE 265 266 266 PHE PHE A . n A 1 266 THR 266 267 267 THR THR A . n A 1 267 LYS 267 268 268 LYS LYS A . n A 1 268 TRP 268 269 269 TRP TRP A . n A 1 269 LYS 269 270 270 LYS LYS A . n A 1 270 GLY 270 271 271 GLY GLY A . n A 1 271 ILE 271 272 272 ILE ILE A . n A 1 272 LEU 272 273 273 LEU LEU A . n A 1 273 ALA 273 274 274 ALA ALA A . n A 1 274 TYR 274 275 275 TYR TYR A . n A 1 275 TYR 275 276 276 TYR TYR A . n A 1 276 GLU 276 277 277 GLU GLU A . n A 1 277 ILE 277 278 278 ILE ILE A . n A 1 278 CYS 278 279 279 CYS CYS A . n A 1 279 ASP 279 280 280 ASP ASP A . n A 1 280 PHE 280 281 281 PHE PHE A . n A 1 281 LEU 281 282 282 LEU LEU A . n A 1 282 HIS 282 283 283 HIS HIS A . n A 1 283 GLY 283 284 284 GLY GLY A . n A 1 284 ALA 284 285 285 ALA ALA A . n A 1 285 THR 285 286 286 THR THR A . n A 1 286 THR 286 287 287 THR THR A . n A 1 287 HIS 287 288 288 HIS HIS A . n A 1 288 ARG 288 289 289 ARG ARG A . n A 1 289 PHE 289 290 290 PHE PHE A . n A 1 290 ARG 290 291 291 ARG ARG A . n A 1 291 ASP 291 292 292 ASP ASP A . n A 1 292 GLN 292 293 293 GLN GLN A . n A 1 293 GLN 293 294 294 GLN GLN A . n A 1 294 VAL 294 295 295 VAL VAL A . n A 1 295 PRO 295 296 296 PRO PRO A . n A 1 296 TYR 296 297 297 TYR TYR A . n A 1 297 ALA 297 298 298 ALA ALA A . n A 1 298 THR 298 299 299 THR THR A . n A 1 299 LYS 299 300 300 LYS LYS A . n A 1 300 GLY 300 301 301 GLY GLY A . n A 1 301 ASN 301 302 302 ASN ASN A . n A 1 302 GLN 302 303 303 GLN GLN A . n A 1 303 TRP 303 304 304 TRP TRP A . n A 1 304 VAL 304 305 305 VAL VAL A . n A 1 305 ALA 305 306 306 ALA ALA A . n A 1 306 TYR 306 307 307 TYR TYR A . n A 1 307 ASP 307 308 308 ASP ASP A . n A 1 308 ASP 308 309 309 ASP ASP A . n A 1 309 GLN 309 310 310 GLN GLN A . n A 1 310 GLU 310 311 311 GLU GLU A . n A 1 311 SER 311 312 312 SER SER A . n A 1 312 VAL 312 313 313 VAL VAL A . n A 1 313 LYS 313 314 314 LYS LYS A . n A 1 314 ASN 314 315 315 ASN ASN A . n A 1 315 LYS 315 316 316 LYS LYS A . n A 1 316 ALA 316 317 317 ALA ALA A . n A 1 317 ARG 317 318 318 ARG ARG A . n A 1 318 TYR 318 319 319 TYR TYR A . n A 1 319 LEU 319 320 320 LEU LEU A . n A 1 320 LYS 320 321 321 LYS LYS A . n A 1 321 ASN 321 322 322 ASN ASN A . n A 1 322 ARG 322 323 323 ARG ARG A . n A 1 323 GLN 323 324 324 GLN GLN A . n A 1 324 LEU 324 325 325 LEU LEU A . n A 1 325 ALA 325 326 326 ALA ALA A . n A 1 326 GLY 326 327 327 GLY GLY A . n A 1 327 ALA 327 328 328 ALA ALA A . n A 1 328 MET 328 329 329 MET MET A . n A 1 329 VAL 329 330 330 VAL VAL A . n A 1 330 TRP 330 331 331 TRP TRP A . n A 1 331 ALA 331 332 332 ALA ALA A . n A 1 332 LEU 332 333 333 LEU LEU A . n A 1 333 ASP 333 334 334 ASP ASP A . n A 1 334 LEU 334 335 335 LEU LEU A . n A 1 335 ASP 335 336 336 ASP ASP A . n A 1 336 ASP 336 337 337 ASP ASP A . n A 1 337 PHE 337 338 338 PHE PHE A . n A 1 338 ARG 338 339 339 ARG ARG A . n A 1 339 GLY 339 340 340 GLY GLY A . n A 1 340 THR 340 341 341 THR THR A . n A 1 341 PHE 341 342 342 PHE PHE A . n A 1 342 CYS 342 343 343 CYS CYS A . n A 1 343 GLY 343 344 344 GLY GLY A . n A 1 344 GLN 344 345 345 GLN GLN A . n A 1 345 ASN 345 346 346 ASN ASN A . n A 1 346 LEU 346 347 347 LEU LEU A . n A 1 347 THR 347 348 348 THR THR A . n A 1 348 PHE 348 349 349 PHE PHE A . n A 1 349 PRO 349 350 350 PRO PRO A . n A 1 350 LEU 350 351 351 LEU LEU A . n A 1 351 THR 351 352 352 THR THR A . n A 1 352 SER 352 353 353 SER SER A . n A 1 353 ALA 353 354 354 ALA ALA A . n A 1 354 ILE 354 355 355 ILE ILE A . n A 1 355 LYS 355 356 356 LYS LYS A . n A 1 356 ASP 356 357 357 ASP ASP A . n A 1 357 VAL 357 358 358 VAL VAL A . n A 1 358 LEU 358 359 359 LEU LEU A . n A 1 359 ALA 359 360 360 ALA ALA A . n A 1 360 ARG 360 361 361 ARG ARG A . n A 1 361 VAL 361 362 362 VAL VAL A . n # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 39 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 39 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details '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 # _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 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2013-09-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.7.0032 ? 3 DENZO 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # 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 ASN 79 ? ? CA A ASN 79 ? ? C A ASN 79 ? ? 125.71 110.40 15.31 2.00 N 2 1 C A ASN 79 ? ? N A TYR 80 ? ? CA A TYR 80 ? ? 139.14 121.70 17.44 2.50 Y # 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 ASN A 79 ? ? -43.21 -18.00 2 1 ASP A 207 ? ? 164.13 86.01 3 1 THR A 251 ? ? -146.29 -17.19 4 1 ASP A 252 ? ? -80.54 -159.41 5 1 GLN A 345 ? ? -49.34 164.50 6 1 ASN A 346 ? ? -104.35 45.39 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 ASN A 79 ? ? TYR A 80 ? ? -132.66 2 1 ALA A 208 ? ? SER A 209 ? ? 143.90 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 RIBOSE RIB 5 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 401 401 NAG NAG A . C 3 GOL 1 402 1 GOL GOL A . D 4 RIB 1 403 1 RIB RIB A . E 5 HOH 1 501 1 HOH HOH A . E 5 HOH 2 502 2 HOH HOH A . E 5 HOH 3 503 3 HOH HOH A . E 5 HOH 4 504 4 HOH HOH A . E 5 HOH 5 505 5 HOH HOH A . E 5 HOH 6 506 6 HOH HOH A . E 5 HOH 7 507 7 HOH HOH A . E 5 HOH 8 508 8 HOH HOH A . E 5 HOH 9 509 9 HOH HOH A . E 5 HOH 10 510 10 HOH HOH A . E 5 HOH 11 511 11 HOH HOH A . E 5 HOH 12 512 12 HOH HOH A . E 5 HOH 13 513 13 HOH HOH A . E 5 HOH 14 514 14 HOH HOH A . E 5 HOH 15 515 15 HOH HOH A . E 5 HOH 16 516 16 HOH HOH A . E 5 HOH 17 517 17 HOH HOH A . E 5 HOH 18 518 18 HOH HOH A . E 5 HOH 19 519 19 HOH HOH A . E 5 HOH 20 520 20 HOH HOH A . E 5 HOH 21 521 21 HOH HOH A . E 5 HOH 22 522 22 HOH HOH A . E 5 HOH 23 523 23 HOH HOH A . E 5 HOH 24 524 24 HOH HOH A . E 5 HOH 25 525 25 HOH HOH A . E 5 HOH 26 526 26 HOH HOH A . E 5 HOH 27 527 27 HOH HOH A . E 5 HOH 28 528 28 HOH HOH A . E 5 HOH 29 529 29 HOH HOH A . E 5 HOH 30 530 30 HOH HOH A . E 5 HOH 31 531 31 HOH HOH A . E 5 HOH 32 532 32 HOH HOH A . E 5 HOH 33 533 34 HOH HOH A . E 5 HOH 34 534 35 HOH HOH A . E 5 HOH 35 535 36 HOH HOH A . E 5 HOH 36 536 37 HOH HOH A . E 5 HOH 37 537 38 HOH HOH A . E 5 HOH 38 538 39 HOH HOH A . E 5 HOH 39 539 40 HOH HOH A . E 5 HOH 40 540 41 HOH HOH A . E 5 HOH 41 541 42 HOH HOH A . E 5 HOH 42 542 43 HOH HOH A . E 5 HOH 43 543 44 HOH HOH A . E 5 HOH 44 544 46 HOH HOH A . E 5 HOH 45 545 47 HOH HOH A . E 5 HOH 46 546 48 HOH HOH A . E 5 HOH 47 547 49 HOH HOH A . E 5 HOH 48 548 50 HOH HOH A . E 5 HOH 49 549 51 HOH HOH A . E 5 HOH 50 550 53 HOH HOH A . E 5 HOH 51 551 54 HOH HOH A . E 5 HOH 52 552 55 HOH HOH A . E 5 HOH 53 553 56 HOH HOH A . E 5 HOH 54 554 57 HOH HOH A . E 5 HOH 55 555 58 HOH HOH A . E 5 HOH 56 556 59 HOH HOH A . E 5 HOH 57 557 61 HOH HOH A . E 5 HOH 58 558 63 HOH HOH A . E 5 HOH 59 559 64 HOH HOH A . E 5 HOH 60 560 65 HOH HOH A . E 5 HOH 61 561 66 HOH HOH A . E 5 HOH 62 562 67 HOH HOH A . E 5 HOH 63 563 69 HOH HOH A . E 5 HOH 64 564 73 HOH HOH A . E 5 HOH 65 565 74 HOH HOH A . E 5 HOH 66 566 75 HOH HOH A . E 5 HOH 67 567 76 HOH HOH A . E 5 HOH 68 568 78 HOH HOH A . E 5 HOH 69 569 79 HOH HOH A . E 5 HOH 70 570 80 HOH HOH A . E 5 HOH 71 571 82 HOH HOH A . E 5 HOH 72 572 83 HOH HOH A . E 5 HOH 73 573 84 HOH HOH A . E 5 HOH 74 574 86 HOH HOH A . E 5 HOH 75 575 89 HOH HOH A . E 5 HOH 76 576 90 HOH HOH A . E 5 HOH 77 577 91 HOH HOH A . E 5 HOH 78 578 578 HOH HOH A . E 5 HOH 79 579 94 HOH HOH A . E 5 HOH 80 580 95 HOH HOH A . E 5 HOH 81 581 99 HOH HOH A . E 5 HOH 82 582 101 HOH HOH A . E 5 HOH 83 583 103 HOH HOH A . E 5 HOH 84 584 104 HOH HOH A . E 5 HOH 85 585 105 HOH HOH A . E 5 HOH 86 586 106 HOH HOH A . E 5 HOH 87 587 109 HOH HOH A . E 5 HOH 88 588 110 HOH HOH A . E 5 HOH 89 589 112 HOH HOH A . E 5 HOH 90 590 113 HOH HOH A . E 5 HOH 91 591 114 HOH HOH A . E 5 HOH 92 592 115 HOH HOH A . E 5 HOH 93 593 116 HOH HOH A . E 5 HOH 94 594 117 HOH HOH A . E 5 HOH 95 595 118 HOH HOH A . E 5 HOH 96 596 596 HOH HOH A . E 5 HOH 97 597 120 HOH HOH A . E 5 HOH 98 598 121 HOH HOH A . E 5 HOH 99 599 122 HOH HOH A . E 5 HOH 100 600 123 HOH HOH A . E 5 HOH 101 601 124 HOH HOH A . E 5 HOH 102 602 125 HOH HOH A . E 5 HOH 103 603 126 HOH HOH A . E 5 HOH 104 604 127 HOH HOH A . E 5 HOH 105 605 128 HOH HOH A . E 5 HOH 106 606 129 HOH HOH A . E 5 HOH 107 607 130 HOH HOH A . E 5 HOH 108 608 131 HOH HOH A . E 5 HOH 109 609 132 HOH HOH A . E 5 HOH 110 610 133 HOH HOH A . #