data_4ML4 # _entry.id 4ML4 # _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 4ML4 RCSB RCSB082046 WWPDB D_1000082046 # _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 4ML4 _pdbx_database_status.recvd_initial_deposition_date 2013-09-06 _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 the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 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 4ML4 _cell.length_a 61.174 _cell.length_b 67.088 _cell.length_c 106.569 _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 4ML4 _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 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn TETRAHYDROPYRAN 86.132 1 ? ? ? ? 4 water nat water 18.015 124 ? ? ? ? # _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 4ML4 _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 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 PYE non-polymer . TETRAHYDROPYRAN ? 'C5 H10 O' 86.132 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 4ML4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.67 _exptl_crystal.density_percent_sol 53.94 _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 4ML4 _reflns.observed_criterion_sigma_I 0.00 _reflns.observed_criterion_sigma_F 0.00 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 2.50 _reflns.number_obs 15750 _reflns.number_all 15750 _reflns.percent_possible_obs 95.7 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.102 _reflns.pdbx_netI_over_sigmaI 19.1 _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 2.47 _reflns_shell.d_res_low 2.50 _reflns_shell.percent_possible_all 97.7 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.478 _reflns_shell.meanI_over_sigI_obs 3.1 _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 4ML4 _refine.ls_number_reflns_obs 14157 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 41.76 _refine.ls_d_res_high 2.50 _refine.ls_percent_reflns_obs 94.60 _refine.ls_R_factor_obs 0.24741 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.24656 _refine.ls_R_factor_R_free 0.26329 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 756 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.876 _refine.correlation_coeff_Fo_to_Fc_free 0.886 _refine.B_iso_mean 33.741 _refine.aniso_B[1][1] -2.53 _refine.aniso_B[2][2] -2.59 _refine.aniso_B[3][3] 5.12 _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 0.786 _refine.pdbx_overall_ESU_R_Free 0.316 _refine.overall_SU_ML 0.215 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 9.248 _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 20 _refine_hist.number_atoms_solvent 124 _refine_hist.number_atoms_total 3038 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 41.76 # 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 0.016 0.019 ? 2996 ? 'X-RAY DIFFRACTION' r_bond_other_d 0.002 0.020 ? 2783 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.785 1.938 ? 4067 ? 'X-RAY DIFFRACTION' r_angle_other_deg 0.924 3.001 ? 6365 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 7.093 5.000 ? 359 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 37.928 22.817 ? 142 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 23.163 15.000 ? 476 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 26.003 15.000 ? 23 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.099 0.200 ? 433 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.008 0.020 ? 3397 ? 'X-RAY DIFFRACTION' r_gen_planes_other 0.001 0.020 ? 760 ? 'X-RAY DIFFRACTION' r_mcbond_it 2.776 3.205 ? 1442 ? 'X-RAY DIFFRACTION' r_mcbond_other 2.771 3.202 ? 1441 ? 'X-RAY DIFFRACTION' r_mcangle_it 4.477 4.796 ? 1799 ? 'X-RAY DIFFRACTION' r_mcangle_other 4.478 4.798 ? 1800 ? 'X-RAY DIFFRACTION' r_scbond_it 3.027 3.569 ? 1554 ? 'X-RAY DIFFRACTION' r_scbond_other 3.026 3.569 ? 1555 ? 'X-RAY DIFFRACTION' r_scangle_other 4.814 5.228 ? 2269 ? 'X-RAY DIFFRACTION' r_long_range_B_refined 7.902 27.288 ? 3582 ? 'X-RAY DIFFRACTION' r_long_range_B_other 7.900 27.290 ? 3583 ? '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 2.500 _refine_ls_shell.d_res_low 2.565 _refine_ls_shell.number_reflns_R_work 1020 _refine_ls_shell.R_factor_R_work 0.289 _refine_ls_shell.percent_reflns_obs 95.16 _refine_ls_shell.R_factor_R_free 0.353 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 62 _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 4ML4 _struct.title 'Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 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 4ML4 _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' _struct_keywords.text 'SIGNALING PROTEIN Text SPB-40, TIM barrel, SIGNALING PROTEIN, tetrahydropyran' # 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 ? # _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 ? HIS A 282 ? ALA A 274 HIS A 283 1 ? 10 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 ? ARG A 360 ? PHE A 349 ARG A 361 1 ? 13 # _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 ? ? ? ? ? ? ? 2.131 ? disulf2 disulf ? ? A CYS 278 SG ? ? ? 1_555 A CYS 342 SG ? ? A CYS 279 A CYS 343 1_555 ? ? ? ? ? ? ? 2.092 ? covale1 covale ? ? A ASN 39 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 39 A NAG 401 1_555 ? ? ? ? ? ? ? 1.436 ? # 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 -1.97 2 LEU 119 A . ? LEU 119 A TRP 120 A ? TRP 120 A 1 -2.32 3 TRP 330 A . ? TRP 331 A ALA 331 A ? ALA 332 A 1 -6.06 # 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 TYR A 35 ? N TYR A 35 O SER A 74 ? O SER A 74 A 3 4 N LEU A 73 ? N LEU A 73 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 CYS A 5 ? N CYS A 5 O HIS A 32 ? O HIS A 32 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 TYR A 243 ? N TYR A 244 O TRP A 303 ? O TRP A 304 C 3 4 O GLN A 302 ? O GLN A 303 N LYS A 299 ? N LYS A 300 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE PYE A 402' AC2 Software ? ? ? ? 6 '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 3 TRP A 78 ? TRP A 78 . ? 1_555 ? 2 AC1 3 TYR A 185 ? TYR A 185 . ? 1_555 ? 3 AC1 3 TRP A 330 ? TRP A 331 . ? 1_555 ? 4 AC2 6 ASN A 39 ? ASN A 39 . ? 1_555 ? 5 AC2 6 ILE A 40 ? ILE A 40 . ? 1_555 ? 6 AC2 6 SER A 41 ? SER A 41 . ? 1_555 ? 7 AC2 6 TRP A 48 ? TRP A 48 . ? 1_555 ? 8 AC2 6 HOH D . ? HOH A 562 . ? 1_555 ? 9 AC2 6 HOH D . ? HOH A 575 . ? 1_555 ? # _database_PDB_matrix.entry_id 4ML4 _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 4ML4 _atom_sites.fract_transf_matrix[1][1] 0.016347 _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] 0.014906 _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] 0.009384 _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 ? 15.824 -15.599 4.726 1.00 32.08 ? 1 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 16.590 -14.989 3.577 1.00 35.95 ? 1 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 15.869 -13.802 2.960 1.00 35.27 ? 1 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 14.708 -13.926 2.585 1.00 37.60 ? 1 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 16.879 -16.027 2.482 1.00 34.20 ? 1 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 17.971 -16.969 2.919 1.00 35.50 ? 1 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 19.273 -16.497 3.106 1.00 36.57 ? 1 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 17.711 -18.299 3.231 1.00 33.88 ? 1 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 20.289 -17.329 3.556 1.00 33.91 ? 1 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 18.719 -19.139 3.679 1.00 35.88 ? 1 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 20.013 -18.649 3.838 1.00 37.13 ? 1 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 21.042 -19.490 4.248 1.00 39.23 ? 1 TYR A OH 1 ATOM 13 N N . LYS A 1 2 ? 16.557 -12.663 2.847 1.00 30.80 ? 2 LYS A N 1 ATOM 14 C CA . LYS A 1 2 ? 15.963 -11.505 2.204 1.00 26.84 ? 2 LYS A CA 1 ATOM 15 C C . LYS A 1 2 ? 16.137 -11.529 0.692 1.00 23.28 ? 2 LYS A C 1 ATOM 16 O O . LYS A 1 2 ? 17.150 -11.991 0.207 1.00 19.54 ? 2 LYS A O 1 ATOM 17 C CB . LYS A 1 2 ? 16.596 -10.263 2.787 1.00 28.99 ? 2 LYS A CB 1 ATOM 18 C CG . LYS A 1 2 ? 16.458 -10.178 4.319 1.00 29.33 ? 2 LYS A CG 1 ATOM 19 C CD . LYS A 1 2 ? 17.515 -9.180 4.820 1.00 30.97 ? 2 LYS A CD 1 ATOM 20 C CE . LYS A 1 2 ? 16.982 -8.166 5.829 1.00 28.42 ? 2 LYS A CE 1 ATOM 21 N NZ . LYS A 1 2 ? 17.088 -8.752 7.173 1.00 28.25 ? 2 LYS A NZ 1 ATOM 22 N N . LEU A 1 3 ? 15.128 -11.050 -0.049 1.00 22.05 ? 3 LEU A N 1 ATOM 23 C CA . LEU A 1 3 ? 15.279 -10.746 -1.454 1.00 19.92 ? 3 LEU A CA 1 ATOM 24 C C . LEU A 1 3 ? 14.973 -9.257 -1.625 1.00 23.42 ? 3 LEU A C 1 ATOM 25 O O . LEU A 1 3 ? 13.795 -8.830 -1.575 1.00 21.25 ? 3 LEU A O 1 ATOM 26 C CB . LEU A 1 3 ? 14.351 -11.572 -2.295 1.00 19.46 ? 3 LEU A CB 1 ATOM 27 C CG . LEU A 1 3 ? 14.846 -12.024 -3.662 1.00 19.74 ? 3 LEU A CG 1 ATOM 28 C CD1 . LEU A 1 3 ? 13.674 -12.374 -4.504 1.00 20.77 ? 3 LEU A CD1 1 ATOM 29 C CD2 . LEU A 1 3 ? 15.678 -11.025 -4.442 1.00 20.72 ? 3 LEU A CD2 1 ATOM 30 N N . ILE A 1 4 ? 16.056 -8.473 -1.810 1.00 24.85 ? 4 ILE A N 1 ATOM 31 C CA . ILE A 1 4 ? 16.011 -7.029 -1.880 1.00 23.79 ? 4 ILE A CA 1 ATOM 32 C C . ILE A 1 4 ? 16.058 -6.654 -3.357 1.00 24.46 ? 4 ILE A C 1 ATOM 33 O O . ILE A 1 4 ? 17.041 -6.921 -4.033 1.00 23.26 ? 4 ILE A O 1 ATOM 34 C CB . ILE A 1 4 ? 17.231 -6.383 -1.190 1.00 24.34 ? 4 ILE A CB 1 ATOM 35 C CG1 . ILE A 1 4 ? 17.650 -7.104 0.091 1.00 25.00 ? 4 ILE A CG1 1 ATOM 36 C CG2 . ILE A 1 4 ? 16.948 -4.935 -0.844 1.00 25.01 ? 4 ILE A CG2 1 ATOM 37 C CD1 . ILE A 1 4 ? 16.809 -6.816 1.322 1.00 25.11 ? 4 ILE A CD1 1 ATOM 38 N N . CYS A 1 5 ? 15.014 -6.007 -3.860 1.00 24.87 ? 5 CYS A N 1 ATOM 39 C CA . CYS A 1 5 ? 14.924 -5.755 -5.277 1.00 25.53 ? 5 CYS A CA 1 ATOM 40 C C . CYS A 1 5 ? 14.788 -4.320 -5.529 1.00 25.91 ? 5 CYS A C 1 ATOM 41 O O . CYS A 1 5 ? 13.968 -3.664 -4.894 1.00 28.55 ? 5 CYS A O 1 ATOM 42 C CB . CYS A 1 5 ? 13.680 -6.391 -5.873 1.00 27.51 ? 5 CYS A CB 1 ATOM 43 S SG . CYS A 1 5 ? 13.519 -8.175 -5.684 1.00 27.42 ? 5 CYS A SG 1 ATOM 44 N N . TYR A 1 6 ? 15.507 -3.843 -6.542 1.00 26.47 ? 6 TYR A N 1 ATOM 45 C CA . TYR A 1 6 ? 15.473 -2.417 -6.892 1.00 27.12 ? 6 TYR A CA 1 ATOM 46 C C . TYR A 1 6 ? 14.451 -2.191 -7.967 1.00 25.60 ? 6 TYR A C 1 ATOM 47 O O . TYR A 1 6 ? 14.349 -3.001 -8.907 1.00 26.43 ? 6 TYR A O 1 ATOM 48 C CB . TYR A 1 6 ? 16.831 -1.899 -7.391 1.00 26.11 ? 6 TYR A CB 1 ATOM 49 C CG . TYR A 1 6 ? 17.725 -1.484 -6.276 1.00 27.91 ? 6 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 6 ? 18.467 -2.427 -5.559 1.00 28.17 ? 6 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 6 ? 17.839 -0.150 -5.932 1.00 27.73 ? 6 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 6 ? 19.293 -2.032 -4.526 1.00 29.89 ? 6 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 6 ? 18.641 0.252 -4.903 1.00 29.42 ? 6 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 6 ? 19.378 -0.678 -4.202 1.00 31.67 ? 6 TYR A CZ 1 ATOM 55 O OH . TYR A 1 6 ? 20.193 -0.221 -3.187 1.00 31.45 ? 6 TYR A OH 1 ATOM 56 N N . TYR A 1 7 ? 13.733 -1.088 -7.825 1.00 22.69 ? 7 TYR A N 1 ATOM 57 C CA . TYR A 1 7 ? 12.959 -0.576 -8.922 1.00 27.25 ? 7 TYR A CA 1 ATOM 58 C C . TYR A 1 7 ? 13.488 0.790 -9.289 1.00 26.82 ? 7 TYR A C 1 ATOM 59 O O . TYR A 1 7 ? 13.661 1.649 -8.408 1.00 23.42 ? 7 TYR A O 1 ATOM 60 C CB . TYR A 1 7 ? 11.463 -0.445 -8.535 1.00 30.49 ? 7 TYR A CB 1 ATOM 61 C CG . TYR A 1 7 ? 10.641 0.324 -9.542 1.00 30.70 ? 7 TYR A CG 1 ATOM 62 C CD1 . TYR A 1 7 ? 10.250 -0.245 -10.737 1.00 35.21 ? 7 TYR A CD1 1 ATOM 63 C CD2 . TYR A 1 7 ? 10.278 1.618 -9.303 1.00 34.40 ? 7 TYR A CD2 1 ATOM 64 C CE1 . TYR A 1 7 ? 9.505 0.467 -11.670 1.00 36.82 ? 7 TYR A CE1 1 ATOM 65 C CE2 . TYR A 1 7 ? 9.539 2.341 -10.219 1.00 37.07 ? 7 TYR A CE2 1 ATOM 66 C CZ . TYR A 1 7 ? 9.139 1.765 -11.390 1.00 36.42 ? 7 TYR A CZ 1 ATOM 67 O OH . TYR A 1 7 ? 8.394 2.534 -12.247 1.00 35.98 ? 7 TYR A OH 1 ATOM 68 N N . THR A 1 8 ? 13.667 1.008 -10.594 1.00 26.36 ? 8 THR A N 1 ATOM 69 C CA . THR A 1 8 ? 14.075 2.310 -11.064 1.00 27.70 ? 8 THR A CA 1 ATOM 70 C C . THR A 1 8 ? 12.968 3.253 -11.594 1.00 29.03 ? 8 THR A C 1 ATOM 71 O O . THR A 1 8 ? 12.183 2.897 -12.456 1.00 27.16 ? 8 THR A O 1 ATOM 72 C CB . THR A 1 8 ? 15.128 2.143 -12.160 1.00 28.89 ? 8 THR A CB 1 ATOM 73 O OG1 . THR A 1 8 ? 14.561 1.417 -13.249 1.00 26.62 ? 8 THR A OG1 1 ATOM 74 C CG2 . THR A 1 8 ? 16.350 1.420 -11.585 1.00 29.08 ? 8 THR A CG2 1 ATOM 75 N N . SER A 1 9 ? 13.005 4.491 -11.099 1.00 33.57 ? 9 SER A N 1 ATOM 76 C CA . SER A 1 9 ? 12.156 5.624 -11.540 1.00 34.08 ? 9 SER A CA 1 ATOM 77 C C . SER A 1 9 ? 11.963 5.797 -13.019 1.00 33.11 ? 9 SER A C 1 ATOM 78 O O . SER A 1 9 ? 10.848 5.892 -13.512 1.00 33.40 ? 9 SER A O 1 ATOM 79 C CB . SER A 1 9 ? 12.767 6.922 -11.070 1.00 33.76 ? 9 SER A CB 1 ATOM 80 O OG . SER A 1 9 ? 12.339 7.144 -9.765 1.00 38.28 ? 9 SER A OG 1 ATOM 81 N N . TRP A 1 10 ? 13.081 5.874 -13.710 1.00 35.08 ? 10 TRP A N 1 ATOM 82 C CA . TRP A 1 10 ? 13.127 6.306 -15.110 1.00 33.02 ? 10 TRP A CA 1 ATOM 83 C C . TRP A 1 10 ? 12.675 5.185 -16.046 1.00 32.44 ? 10 TRP A C 1 ATOM 84 O O . TRP A 1 10 ? 12.570 5.363 -17.268 1.00 36.19 ? 10 TRP A O 1 ATOM 85 C CB . TRP A 1 10 ? 14.531 6.829 -15.430 1.00 30.63 ? 10 TRP A CB 1 ATOM 86 C CG . TRP A 1 10 ? 15.626 5.828 -15.281 1.00 28.99 ? 10 TRP A CG 1 ATOM 87 C CD1 . TRP A 1 10 ? 16.189 5.076 -16.282 1.00 29.85 ? 10 TRP A CD1 1 ATOM 88 C CD2 . TRP A 1 10 ? 16.310 5.454 -14.062 1.00 29.62 ? 10 TRP A CD2 1 ATOM 89 N NE1 . TRP A 1 10 ? 17.192 4.248 -15.763 1.00 28.79 ? 10 TRP A NE1 1 ATOM 90 C CE2 . TRP A 1 10 ? 17.291 4.464 -14.414 1.00 29.18 ? 10 TRP A CE2 1 ATOM 91 C CE3 . TRP A 1 10 ? 16.209 5.864 -12.709 1.00 28.12 ? 10 TRP A CE3 1 ATOM 92 C CZ2 . TRP A 1 10 ? 18.153 3.867 -13.446 1.00 30.06 ? 10 TRP A CZ2 1 ATOM 93 C CZ3 . TRP A 1 10 ? 17.087 5.276 -11.741 1.00 27.55 ? 10 TRP A CZ3 1 ATOM 94 C CH2 . TRP A 1 10 ? 18.027 4.282 -12.117 1.00 27.74 ? 10 TRP A CH2 1 ATOM 95 N N . SER A 1 11 ? 12.367 4.035 -15.466 1.00 32.89 ? 11 SER A N 1 ATOM 96 C CA . SER A 1 11 ? 11.870 2.899 -16.256 1.00 37.64 ? 11 SER A CA 1 ATOM 97 C C . SER A 1 11 ? 10.480 3.127 -16.899 1.00 36.58 ? 11 SER A C 1 ATOM 98 O O . SER A 1 11 ? 10.201 2.604 -17.951 1.00 33.73 ? 11 SER A O 1 ATOM 99 C CB . SER A 1 11 ? 11.892 1.594 -15.430 1.00 37.45 ? 11 SER A CB 1 ATOM 100 O OG . SER A 1 11 ? 11.006 1.643 -14.334 1.00 37.90 ? 11 SER A OG 1 ATOM 101 N N . GLN A 1 12 ? 9.629 3.916 -16.264 1.00 41.12 ? 12 GLN A N 1 ATOM 102 C CA . GLN A 1 12 ? 8.315 4.323 -16.829 1.00 41.45 ? 12 GLN A CA 1 ATOM 103 C C . GLN A 1 12 ? 8.326 4.982 -18.209 1.00 41.39 ? 12 GLN A C 1 ATOM 104 O O . GLN A 1 12 ? 7.298 4.927 -18.890 1.00 44.47 ? 12 GLN A O 1 ATOM 105 C CB . GLN A 1 12 ? 7.580 5.273 -15.852 1.00 43.29 ? 12 GLN A CB 1 ATOM 106 C CG . GLN A 1 12 ? 8.480 6.401 -15.384 1.00 45.56 ? 12 GLN A CG 1 ATOM 107 C CD . GLN A 1 12 ? 7.783 7.603 -14.792 1.00 44.40 ? 12 GLN A CD 1 ATOM 108 O OE1 . GLN A 1 12 ? 6.702 8.004 -15.219 1.00 45.81 ? 12 GLN A OE1 1 ATOM 109 N NE2 . GLN A 1 12 ? 8.434 8.219 -13.811 1.00 45.48 ? 12 GLN A NE2 1 ATOM 110 N N . TYR A 1 13 ? 9.453 5.597 -18.617 1.00 44.69 ? 13 TYR A N 1 ATOM 111 C CA . TYR A 1 13 ? 9.571 6.349 -19.900 1.00 43.65 ? 13 TYR A CA 1 ATOM 112 C C . TYR A 1 13 ? 9.968 5.529 -21.120 1.00 46.63 ? 13 TYR A C 1 ATOM 113 O O . TYR A 1 13 ? 9.847 5.997 -22.266 1.00 48.30 ? 13 TYR A O 1 ATOM 114 C CB . TYR A 1 13 ? 10.583 7.502 -19.790 1.00 45.48 ? 13 TYR A CB 1 ATOM 115 C CG . TYR A 1 13 ? 10.322 8.468 -18.658 1.00 47.54 ? 13 TYR A CG 1 ATOM 116 C CD1 . TYR A 1 13 ? 9.193 9.300 -18.650 1.00 49.51 ? 13 TYR A CD1 1 ATOM 117 C CD2 . TYR A 1 13 ? 11.199 8.550 -17.584 1.00 46.35 ? 13 TYR A CD2 1 ATOM 118 C CE1 . TYR A 1 13 ? 8.960 10.183 -17.581 1.00 50.30 ? 13 TYR A CE1 1 ATOM 119 C CE2 . TYR A 1 13 ? 10.983 9.435 -16.527 1.00 46.84 ? 13 TYR A CE2 1 ATOM 120 C CZ . TYR A 1 13 ? 9.865 10.254 -16.512 1.00 46.67 ? 13 TYR A CZ 1 ATOM 121 O OH . TYR A 1 13 ? 9.686 11.129 -15.432 1.00 39.78 ? 13 TYR A OH 1 ATOM 122 N N . ARG A 1 14 ? 10.446 4.318 -20.900 1.00 46.52 ? 14 ARG A N 1 ATOM 123 C CA . ARG A 1 14 ? 10.824 3.473 -22.018 1.00 46.45 ? 14 ARG A CA 1 ATOM 124 C C . ARG A 1 14 ? 9.608 3.150 -22.858 1.00 47.46 ? 14 ARG A C 1 ATOM 125 O O . ARG A 1 14 ? 8.481 3.061 -22.343 1.00 46.95 ? 14 ARG A O 1 ATOM 126 C CB . ARG A 1 14 ? 11.480 2.188 -21.529 1.00 46.59 ? 14 ARG A CB 1 ATOM 127 C CG . ARG A 1 14 ? 12.842 2.434 -20.867 1.00 45.10 ? 14 ARG A CG 1 ATOM 128 C CD . ARG A 1 14 ? 13.267 1.249 -20.042 1.00 44.55 ? 14 ARG A CD 1 ATOM 129 N NE . ARG A 1 14 ? 14.468 1.544 -19.279 1.00 43.99 ? 14 ARG A NE 1 ATOM 130 C CZ . ARG A 1 14 ? 14.848 0.895 -18.181 1.00 41.25 ? 14 ARG A CZ 1 ATOM 131 N NH1 . ARG A 1 14 ? 14.113 -0.103 -17.688 1.00 35.36 ? 14 ARG A NH1 1 ATOM 132 N NH2 . ARG A 1 14 ? 15.991 1.249 -17.578 1.00 41.65 ? 14 ARG A NH2 1 ATOM 133 N N . GLU A 1 15 ? 9.867 2.963 -24.147 1.00 48.01 ? 15 GLU A N 1 ATOM 134 C CA . GLU A 1 15 ? 8.829 2.793 -25.131 1.00 54.41 ? 15 GLU A CA 1 ATOM 135 C C . GLU A 1 15 ? 8.177 1.409 -25.097 1.00 54.51 ? 15 GLU A C 1 ATOM 136 O O . GLU A 1 15 ? 8.758 0.421 -24.609 1.00 51.17 ? 15 GLU A O 1 ATOM 137 C CB . GLU A 1 15 ? 9.360 3.138 -26.538 1.00 61.50 ? 15 GLU A CB 1 ATOM 138 C CG . GLU A 1 15 ? 9.245 4.626 -26.877 1.00 69.61 ? 15 GLU A CG 1 ATOM 139 C CD . GLU A 1 15 ? 7.795 5.117 -26.995 1.00 76.14 ? 15 GLU A CD 1 ATOM 140 O OE1 . GLU A 1 15 ? 7.464 6.187 -26.407 1.00 70.68 ? 15 GLU A OE1 1 ATOM 141 O OE2 . GLU A 1 15 ? 6.986 4.430 -27.667 1.00 79.53 ? 15 GLU A OE2 1 ATOM 142 N N . GLY A 1 16 ? 6.939 1.388 -25.595 1.00 54.15 ? 16 GLY A N 1 ATOM 143 C CA . GLY A 1 16 ? 6.123 0.187 -25.698 1.00 51.46 ? 16 GLY A CA 1 ATOM 144 C C . GLY A 1 16 ? 6.285 -0.718 -24.495 1.00 50.67 ? 16 GLY A C 1 ATOM 145 O O . GLY A 1 16 ? 5.984 -0.327 -23.356 1.00 50.26 ? 16 GLY A O 1 ATOM 146 N N . ASP A 1 17 ? 6.809 -1.914 -24.743 1.00 47.88 ? 17 ASP A N 1 ATOM 147 C CA . ASP A 1 17 ? 6.822 -2.946 -23.719 1.00 47.94 ? 17 ASP A CA 1 ATOM 148 C C . ASP A 1 17 ? 7.855 -2.668 -22.602 1.00 41.95 ? 17 ASP A C 1 ATOM 149 O O . ASP A 1 17 ? 7.675 -3.118 -21.479 1.00 36.13 ? 17 ASP A O 1 ATOM 150 C CB . ASP A 1 17 ? 6.967 -4.343 -24.366 1.00 48.61 ? 17 ASP A CB 1 ATOM 151 C CG . ASP A 1 17 ? 5.599 -5.037 -24.608 1.00 51.33 ? 17 ASP A CG 1 ATOM 152 O OD1 . ASP A 1 17 ? 4.535 -4.402 -24.373 1.00 51.68 ? 17 ASP A OD1 1 ATOM 153 O OD2 . ASP A 1 17 ? 5.597 -6.231 -25.008 1.00 47.13 ? 17 ASP A OD2 1 ATOM 154 N N . GLY A 1 18 ? 8.871 -1.855 -22.894 1.00 39.22 ? 18 GLY A N 1 ATOM 155 C CA . GLY A 1 18 ? 9.858 -1.453 -21.890 1.00 38.81 ? 18 GLY A CA 1 ATOM 156 C C . GLY A 1 18 ? 9.364 -0.591 -20.714 1.00 41.56 ? 18 GLY A C 1 ATOM 157 O O . GLY A 1 18 ? 10.021 -0.545 -19.641 1.00 42.04 ? 18 GLY A O 1 ATOM 158 N N . SER A 1 19 ? 8.229 0.097 -20.903 1.00 41.95 ? 19 SER A N 1 ATOM 159 C CA . SER A 1 19 ? 7.605 0.904 -19.841 1.00 41.38 ? 19 SER A CA 1 ATOM 160 C C . SER A 1 19 ? 7.233 0.060 -18.598 1.00 41.52 ? 19 SER A C 1 ATOM 161 O O . SER A 1 19 ? 6.420 -0.861 -18.679 1.00 39.61 ? 19 SER A O 1 ATOM 162 C CB . SER A 1 19 ? 6.357 1.615 -20.388 1.00 41.83 ? 19 SER A CB 1 ATOM 163 O OG . SER A 1 19 ? 5.819 2.511 -19.427 1.00 41.91 ? 19 SER A OG 1 ATOM 164 N N . CYS A 1 20 ? 7.836 0.372 -17.454 1.00 43.23 ? 20 CYS A N 1 ATOM 165 C CA . CYS A 1 20 ? 7.523 -0.321 -16.192 1.00 46.77 ? 20 CYS A CA 1 ATOM 166 C C . CYS A 1 20 ? 7.103 0.703 -15.133 1.00 43.18 ? 20 CYS A C 1 ATOM 167 O O . CYS A 1 20 ? 7.767 1.720 -14.954 1.00 44.66 ? 20 CYS A O 1 ATOM 168 C CB . CYS A 1 20 ? 8.742 -1.132 -15.683 1.00 46.85 ? 20 CYS A CB 1 ATOM 169 S SG . CYS A 1 20 ? 8.486 -2.211 -14.215 1.00 48.96 ? 20 CYS A SG 1 ATOM 170 N N . PHE A 1 21 ? 5.995 0.431 -14.448 1.00 38.69 ? 21 PHE A N 1 ATOM 171 C CA . PHE A 1 21 ? 5.599 1.192 -13.248 1.00 36.19 ? 21 PHE A CA 1 ATOM 172 C C . PHE A 1 21 ? 5.565 0.218 -12.095 1.00 33.97 ? 21 PHE A C 1 ATOM 173 O O . PHE A 1 21 ? 5.454 -0.991 -12.313 1.00 35.02 ? 21 PHE A O 1 ATOM 174 C CB . PHE A 1 21 ? 4.204 1.801 -13.432 1.00 36.03 ? 21 PHE A CB 1 ATOM 175 C CG . PHE A 1 21 ? 4.148 2.876 -14.482 1.00 36.98 ? 21 PHE A CG 1 ATOM 176 C CD1 . PHE A 1 21 ? 4.428 2.577 -15.828 1.00 37.05 ? 21 PHE A CD1 1 ATOM 177 C CD2 . PHE A 1 21 ? 3.856 4.212 -14.132 1.00 32.96 ? 21 PHE A CD2 1 ATOM 178 C CE1 . PHE A 1 21 ? 4.397 3.594 -16.786 1.00 37.26 ? 21 PHE A CE1 1 ATOM 179 C CE2 . PHE A 1 21 ? 3.857 5.237 -15.091 1.00 31.48 ? 21 PHE A CE2 1 ATOM 180 C CZ . PHE A 1 21 ? 4.112 4.927 -16.412 1.00 33.22 ? 21 PHE A CZ 1 ATOM 181 N N . PRO A 1 22 ? 5.556 0.717 -10.864 1.00 33.02 ? 22 PRO A N 1 ATOM 182 C CA . PRO A 1 22 ? 5.477 -0.237 -9.757 1.00 36.22 ? 22 PRO A CA 1 ATOM 183 C C . PRO A 1 22 ? 4.235 -1.156 -9.760 1.00 39.21 ? 22 PRO A C 1 ATOM 184 O O . PRO A 1 22 ? 4.186 -2.097 -8.964 1.00 39.68 ? 22 PRO A O 1 ATOM 185 C CB . PRO A 1 22 ? 5.437 0.667 -8.511 1.00 36.87 ? 22 PRO A CB 1 ATOM 186 C CG . PRO A 1 22 ? 5.406 2.081 -9.000 1.00 33.03 ? 22 PRO A CG 1 ATOM 187 C CD . PRO A 1 22 ? 5.076 2.038 -10.452 1.00 33.34 ? 22 PRO A CD 1 ATOM 188 N N . ASP A 1 23 ? 3.248 -0.863 -10.621 1.00 40.54 ? 23 ASP A N 1 ATOM 189 C CA . ASP A 1 23 ? 1.985 -1.598 -10.670 1.00 41.26 ? 23 ASP A CA 1 ATOM 190 C C . ASP A 1 23 ? 2.294 -3.043 -11.081 1.00 37.89 ? 23 ASP A C 1 ATOM 191 O O . ASP A 1 23 ? 1.726 -4.001 -10.543 1.00 32.56 ? 23 ASP A O 1 ATOM 192 C CB . ASP A 1 23 ? 0.917 -0.854 -11.584 1.00 49.37 ? 23 ASP A CB 1 ATOM 193 C CG . ASP A 1 23 ? 1.167 -0.976 -13.146 1.00 57.39 ? 23 ASP A CG 1 ATOM 194 O OD1 . ASP A 1 23 ? 2.285 -1.261 -13.663 1.00 59.10 ? 23 ASP A OD1 1 ATOM 195 O OD2 . ASP A 1 23 ? 0.178 -0.744 -13.886 1.00 66.44 ? 23 ASP A OD2 1 ATOM 196 N N . ALA A 1 24 ? 3.275 -3.183 -11.978 1.00 36.78 ? 24 ALA A N 1 ATOM 197 C CA . ALA A 1 24 ? 3.663 -4.481 -12.551 1.00 32.92 ? 24 ALA A CA 1 ATOM 198 C C . ALA A 1 24 ? 4.468 -5.398 -11.603 1.00 28.95 ? 24 ALA A C 1 ATOM 199 O O . ALA A 1 24 ? 4.708 -6.572 -11.910 1.00 31.55 ? 24 ALA A O 1 ATOM 200 C CB . ALA A 1 24 ? 4.422 -4.264 -13.858 1.00 32.48 ? 24 ALA A CB 1 ATOM 201 N N . ILE A 1 25 ? 4.854 -4.902 -10.444 1.00 25.99 ? 25 ILE A N 1 ATOM 202 C CA . ILE A 1 25 ? 5.646 -5.720 -9.521 1.00 26.45 ? 25 ILE A CA 1 ATOM 203 C C . ILE A 1 25 ? 4.747 -6.700 -8.754 1.00 28.39 ? 25 ILE A C 1 ATOM 204 O O . ILE A 1 25 ? 3.809 -6.288 -8.092 1.00 32.06 ? 25 ILE A O 1 ATOM 205 C CB . ILE A 1 25 ? 6.396 -4.805 -8.562 1.00 25.88 ? 25 ILE A CB 1 ATOM 206 C CG1 . ILE A 1 25 ? 7.457 -4.018 -9.354 1.00 23.99 ? 25 ILE A CG1 1 ATOM 207 C CG2 . ILE A 1 25 ? 6.910 -5.561 -7.322 1.00 26.37 ? 25 ILE A CG2 1 ATOM 208 C CD1 . ILE A 1 25 ? 7.982 -2.820 -8.598 1.00 23.89 ? 25 ILE A CD1 1 ATOM 209 N N . ASP A 1 26 ? 4.999 -7.991 -8.878 1.00 29.13 ? 26 ASP A N 1 ATOM 210 C CA . ASP A 1 26 ? 4.266 -8.976 -8.109 1.00 29.35 ? 26 ASP A CA 1 ATOM 211 C C . ASP A 1 26 ? 4.705 -8.836 -6.635 1.00 28.96 ? 26 ASP A C 1 ATOM 212 O O . ASP A 1 26 ? 5.894 -8.805 -6.324 1.00 29.82 ? 26 ASP A O 1 ATOM 213 C CB . ASP A 1 26 ? 4.453 -10.353 -8.745 1.00 32.59 ? 26 ASP A CB 1 ATOM 214 C CG . ASP A 1 26 ? 4.584 -11.504 -7.739 1.00 37.21 ? 26 ASP A CG 1 ATOM 215 O OD1 . ASP A 1 26 ? 3.781 -11.661 -6.775 1.00 31.14 ? 26 ASP A OD1 1 ATOM 216 O OD2 . ASP A 1 26 ? 5.534 -12.294 -7.983 1.00 42.77 ? 26 ASP A OD2 1 ATOM 217 N N . PRO A 1 27 ? 3.732 -8.636 -5.723 1.00 28.14 ? 27 PRO A N 1 ATOM 218 C CA . PRO A 1 27 ? 4.069 -8.225 -4.353 1.00 24.99 ? 27 PRO A CA 1 ATOM 219 C C . PRO A 1 27 ? 4.521 -9.346 -3.457 1.00 25.74 ? 27 PRO A C 1 ATOM 220 O O . PRO A 1 27 ? 4.824 -9.126 -2.269 1.00 23.93 ? 27 PRO A O 1 ATOM 221 C CB . PRO A 1 27 ? 2.751 -7.649 -3.838 1.00 27.41 ? 27 PRO A CB 1 ATOM 222 C CG . PRO A 1 27 ? 1.684 -8.229 -4.701 1.00 26.43 ? 27 PRO A CG 1 ATOM 223 C CD . PRO A 1 27 ? 2.307 -8.376 -6.046 1.00 25.88 ? 27 PRO A CD 1 ATOM 224 N N . PHE A 1 28 ? 4.586 -10.554 -4.013 1.00 26.68 ? 28 PHE A N 1 ATOM 225 C CA . PHE A 1 28 ? 5.034 -11.720 -3.257 1.00 24.42 ? 28 PHE A CA 1 ATOM 226 C C . PHE A 1 28 ? 6.383 -12.209 -3.754 1.00 25.36 ? 28 PHE A C 1 ATOM 227 O O . PHE A 1 28 ? 6.967 -13.132 -3.163 1.00 26.45 ? 28 PHE A O 1 ATOM 228 C CB . PHE A 1 28 ? 3.987 -12.818 -3.334 1.00 23.89 ? 28 PHE A CB 1 ATOM 229 C CG . PHE A 1 28 ? 2.762 -12.502 -2.541 1.00 22.79 ? 28 PHE A CG 1 ATOM 230 C CD1 . PHE A 1 28 ? 2.760 -12.698 -1.166 1.00 21.28 ? 28 PHE A CD1 1 ATOM 231 C CD2 . PHE A 1 28 ? 1.628 -11.986 -3.159 1.00 22.11 ? 28 PHE A CD2 1 ATOM 232 C CE1 . PHE A 1 28 ? 1.653 -12.367 -0.407 1.00 21.59 ? 28 PHE A CE1 1 ATOM 233 C CE2 . PHE A 1 28 ? 0.492 -11.695 -2.418 1.00 21.57 ? 28 PHE A CE2 1 ATOM 234 C CZ . PHE A 1 28 ? 0.512 -11.849 -1.033 1.00 21.68 ? 28 PHE A CZ 1 ATOM 235 N N . LEU A 1 29 ? 6.878 -11.580 -4.817 1.00 23.42 ? 29 LEU A N 1 ATOM 236 C CA . LEU A 1 29 ? 8.241 -11.806 -5.296 1.00 25.51 ? 29 LEU A CA 1 ATOM 237 C C . LEU A 1 29 ? 9.375 -11.502 -4.283 1.00 27.11 ? 29 LEU A C 1 ATOM 238 O O . LEU A 1 29 ? 10.156 -12.405 -3.905 1.00 29.99 ? 29 LEU A O 1 ATOM 239 C CB . LEU A 1 29 ? 8.458 -10.938 -6.520 1.00 27.40 ? 29 LEU A CB 1 ATOM 240 C CG . LEU A 1 29 ? 9.721 -11.198 -7.301 1.00 28.54 ? 29 LEU A CG 1 ATOM 241 C CD1 . LEU A 1 29 ? 9.701 -12.574 -7.913 1.00 29.08 ? 29 LEU A CD1 1 ATOM 242 C CD2 . LEU A 1 29 ? 9.811 -10.158 -8.391 1.00 30.53 ? 29 LEU A CD2 1 ATOM 243 N N . CYS A 1 30 ? 9.481 -10.247 -3.852 1.00 24.92 ? 30 CYS A N 1 ATOM 244 C CA . CYS A 1 30 ? 10.616 -9.781 -3.056 1.00 23.90 ? 30 CYS A CA 1 ATOM 245 C C . CYS A 1 30 ? 10.231 -9.686 -1.608 1.00 22.74 ? 30 CYS A C 1 ATOM 246 O O . CYS A 1 30 ? 9.022 -9.762 -1.307 1.00 25.36 ? 30 CYS A O 1 ATOM 247 C CB . CYS A 1 30 ? 11.079 -8.421 -3.573 1.00 24.87 ? 30 CYS A CB 1 ATOM 248 S SG . CYS A 1 30 ? 11.421 -8.372 -5.366 1.00 29.32 ? 30 CYS A SG 1 ATOM 249 N N . THR A 1 31 ? 11.217 -9.593 -0.695 1.00 21.18 ? 31 THR A N 1 ATOM 250 C CA . THR A 1 31 ? 10.931 -9.145 0.687 1.00 20.07 ? 31 THR A CA 1 ATOM 251 C C . THR A 1 31 ? 11.006 -7.621 0.820 1.00 20.24 ? 31 THR A C 1 ATOM 252 O O . THR A 1 31 ? 10.326 -7.050 1.691 1.00 22.30 ? 31 THR A O 1 ATOM 253 C CB . THR A 1 31 ? 11.891 -9.680 1.755 1.00 21.21 ? 31 THR A CB 1 ATOM 254 O OG1 . THR A 1 31 ? 13.253 -9.295 1.451 1.00 23.40 ? 31 THR A OG1 1 ATOM 255 C CG2 . THR A 1 31 ? 11.804 -11.205 1.887 1.00 22.38 ? 31 THR A CG2 1 ATOM 256 N N . HIS A 1 32 ? 11.861 -6.975 0.022 1.00 19.07 ? 32 HIS A N 1 ATOM 257 C CA . HIS A 1 32 ? 12.090 -5.538 0.135 1.00 19.31 ? 32 HIS A CA 1 ATOM 258 C C . HIS A 1 32 ? 12.219 -5.080 -1.271 1.00 19.24 ? 32 HIS A C 1 ATOM 259 O O . HIS A 1 32 ? 12.968 -5.660 -2.041 1.00 21.28 ? 32 HIS A O 1 ATOM 260 C CB . HIS A 1 32 ? 13.368 -5.216 0.870 1.00 19.45 ? 32 HIS A CB 1 ATOM 261 C CG . HIS A 1 32 ? 13.448 -5.777 2.252 1.00 18.87 ? 32 HIS A CG 1 ATOM 262 N ND1 . HIS A 1 32 ? 13.685 -7.107 2.497 1.00 19.80 ? 32 HIS A ND1 1 ATOM 263 C CD2 . HIS A 1 32 ? 13.427 -5.177 3.467 1.00 19.46 ? 32 HIS A CD2 1 ATOM 264 C CE1 . HIS A 1 32 ? 13.707 -7.323 3.810 1.00 19.62 ? 32 HIS A CE1 1 ATOM 265 N NE2 . HIS A 1 32 ? 13.556 -6.166 4.422 1.00 18.69 ? 32 HIS A NE2 1 ATOM 266 N N . VAL A 1 33 ? 11.459 -4.073 -1.629 1.00 19.96 ? 33 VAL A N 1 ATOM 267 C CA . VAL A 1 33 ? 11.569 -3.434 -2.948 1.00 18.73 ? 33 VAL A CA 1 ATOM 268 C C . VAL A 1 33 ? 12.093 -2.010 -2.664 1.00 19.38 ? 33 VAL A C 1 ATOM 269 O O . VAL A 1 33 ? 11.623 -1.363 -1.721 1.00 17.34 ? 33 VAL A O 1 ATOM 270 C CB . VAL A 1 33 ? 10.198 -3.337 -3.601 1.00 18.48 ? 33 VAL A CB 1 ATOM 271 C CG1 . VAL A 1 33 ? 10.267 -2.494 -4.832 1.00 20.59 ? 33 VAL A CG1 1 ATOM 272 C CG2 . VAL A 1 33 ? 9.661 -4.705 -3.954 1.00 18.27 ? 33 VAL A CG2 1 ATOM 273 N N . ILE A 1 34 ? 13.097 -1.545 -3.424 1.00 20.65 ? 34 ILE A N 1 ATOM 274 C CA . ILE A 1 34 ? 13.748 -0.262 -3.107 1.00 19.95 ? 34 ILE A CA 1 ATOM 275 C C . ILE A 1 34 ? 13.598 0.620 -4.300 1.00 19.82 ? 34 ILE A C 1 ATOM 276 O O . ILE A 1 34 ? 13.942 0.210 -5.375 1.00 18.75 ? 34 ILE A O 1 ATOM 277 C CB . ILE A 1 34 ? 15.246 -0.425 -2.755 1.00 21.59 ? 34 ILE A CB 1 ATOM 278 C CG1 . ILE A 1 34 ? 15.399 -1.277 -1.485 1.00 21.24 ? 34 ILE A CG1 1 ATOM 279 C CG2 . ILE A 1 34 ? 15.905 0.938 -2.545 1.00 21.45 ? 34 ILE A CG2 1 ATOM 280 C CD1 . ILE A 1 34 ? 16.818 -1.416 -0.959 1.00 21.10 ? 34 ILE A CD1 1 ATOM 281 N N . TYR A 1 35 ? 13.007 1.801 -4.078 1.00 21.26 ? 35 TYR A N 1 ATOM 282 C CA . TYR A 1 35 ? 12.782 2.817 -5.080 1.00 20.36 ? 35 TYR A CA 1 ATOM 283 C C . TYR A 1 35 ? 13.995 3.715 -5.283 1.00 20.89 ? 35 TYR A C 1 ATOM 284 O O . TYR A 1 35 ? 14.518 4.308 -4.311 1.00 19.77 ? 35 TYR A O 1 ATOM 285 C CB . TYR A 1 35 ? 11.664 3.711 -4.603 1.00 22.97 ? 35 TYR A CB 1 ATOM 286 C CG . TYR A 1 35 ? 11.036 4.490 -5.717 1.00 24.61 ? 35 TYR A CG 1 ATOM 287 C CD1 . TYR A 1 35 ? 9.896 4.000 -6.369 1.00 24.62 ? 35 TYR A CD1 1 ATOM 288 C CD2 . TYR A 1 35 ? 11.604 5.675 -6.157 1.00 25.18 ? 35 TYR A CD2 1 ATOM 289 C CE1 . TYR A 1 35 ? 9.342 4.678 -7.434 1.00 27.17 ? 35 TYR A CE1 1 ATOM 290 C CE2 . TYR A 1 35 ? 11.056 6.377 -7.206 1.00 26.98 ? 35 TYR A CE2 1 ATOM 291 C CZ . TYR A 1 35 ? 9.915 5.886 -7.852 1.00 29.18 ? 35 TYR A CZ 1 ATOM 292 O OH . TYR A 1 35 ? 9.349 6.586 -8.922 1.00 28.33 ? 35 TYR A OH 1 ATOM 293 N N . SER A 1 36 ? 14.379 3.871 -6.553 1.00 21.31 ? 36 SER A N 1 ATOM 294 C CA . SER A 1 36 ? 15.575 4.578 -6.949 1.00 23.51 ? 36 SER A CA 1 ATOM 295 C C . SER A 1 36 ? 15.264 5.543 -8.017 1.00 21.79 ? 36 SER A C 1 ATOM 296 O O . SER A 1 36 ? 14.674 5.152 -8.994 1.00 21.57 ? 36 SER A O 1 ATOM 297 C CB . SER A 1 36 ? 16.593 3.604 -7.547 1.00 26.44 ? 36 SER A CB 1 ATOM 298 O OG . SER A 1 36 ? 17.465 3.203 -6.514 1.00 34.17 ? 36 SER A OG 1 ATOM 299 N N . PHE A 1 37 ? 15.690 6.794 -7.903 1.00 23.17 ? 37 PHE A N 1 ATOM 300 C CA . PHE A 1 37 ? 16.424 7.341 -6.777 1.00 23.36 ? 37 PHE A CA 1 ATOM 301 C C . PHE A 1 37 ? 15.696 8.525 -6.279 1.00 21.27 ? 37 PHE A C 1 ATOM 302 O O . PHE A 1 37 ? 14.978 9.099 -7.053 1.00 22.35 ? 37 PHE A O 1 ATOM 303 C CB . PHE A 1 37 ? 17.797 7.817 -7.236 1.00 24.47 ? 37 PHE A CB 1 ATOM 304 C CG . PHE A 1 37 ? 18.751 6.708 -7.435 1.00 25.17 ? 37 PHE A CG 1 ATOM 305 C CD1 . PHE A 1 37 ? 19.192 5.953 -6.341 1.00 24.09 ? 37 PHE A CD1 1 ATOM 306 C CD2 . PHE A 1 37 ? 19.222 6.392 -8.729 1.00 27.26 ? 37 PHE A CD2 1 ATOM 307 C CE1 . PHE A 1 37 ? 20.064 4.882 -6.533 1.00 23.33 ? 37 PHE A CE1 1 ATOM 308 C CE2 . PHE A 1 37 ? 20.116 5.315 -8.926 1.00 24.80 ? 37 PHE A CE2 1 ATOM 309 C CZ . PHE A 1 37 ? 20.528 4.570 -7.826 1.00 24.30 ? 37 PHE A CZ 1 ATOM 310 N N . ALA A 1 38 ? 15.944 8.917 -5.036 1.00 19.97 ? 38 ALA A N 1 ATOM 311 C CA . ALA A 1 38 ? 15.501 10.212 -4.494 1.00 21.94 ? 38 ALA A CA 1 ATOM 312 C C . ALA A 1 38 ? 16.609 11.288 -4.596 1.00 25.15 ? 38 ALA A C 1 ATOM 313 O O . ALA A 1 38 ? 17.782 10.984 -4.366 1.00 24.82 ? 38 ALA A O 1 ATOM 314 C CB . ALA A 1 38 ? 15.085 10.062 -3.020 1.00 20.65 ? 38 ALA A CB 1 ATOM 315 N N . ASN A 1 39 ? 16.198 12.538 -4.883 1.00 27.86 ? 39 ASN A N 1 ATOM 316 C CA . ASN A 1 39 ? 17.033 13.718 -4.843 1.00 26.79 ? 39 ASN A CA 1 ATOM 317 C C . ASN A 1 39 ? 17.246 14.273 -3.455 1.00 28.94 ? 39 ASN A C 1 ATOM 318 O O . ASN A 1 39 ? 16.489 13.990 -2.512 1.00 28.12 ? 39 ASN A O 1 ATOM 319 C CB . ASN A 1 39 ? 16.411 14.846 -5.687 1.00 28.67 ? 39 ASN A CB 1 ATOM 320 C CG . ASN A 1 39 ? 17.443 15.880 -6.139 1.00 31.99 ? 39 ASN A CG 1 ATOM 321 O OD1 . ASN A 1 39 ? 18.655 15.742 -5.878 1.00 28.32 ? 39 ASN A OD1 1 ATOM 322 N ND2 . ASN A 1 39 ? 16.977 16.915 -6.830 1.00 34.75 ? 39 ASN A ND2 1 ATOM 323 N N . ILE A 1 40 ? 18.299 15.090 -3.328 1.00 28.51 ? 40 ILE A N 1 ATOM 324 C CA . ILE A 1 40 ? 18.456 15.924 -2.157 1.00 26.76 ? 40 ILE A CA 1 ATOM 325 C C . ILE A 1 40 ? 18.504 17.341 -2.667 1.00 27.70 ? 40 ILE A C 1 ATOM 326 O O . ILE A 1 40 ? 19.295 17.685 -3.551 1.00 25.06 ? 40 ILE A O 1 ATOM 327 C CB . ILE A 1 40 ? 19.731 15.604 -1.366 1.00 27.72 ? 40 ILE A CB 1 ATOM 328 C CG1 . ILE A 1 40 ? 19.677 14.176 -0.847 1.00 28.73 ? 40 ILE A CG1 1 ATOM 329 C CG2 . ILE A 1 40 ? 19.890 16.569 -0.208 1.00 27.65 ? 40 ILE A CG2 1 ATOM 330 C CD1 . ILE A 1 40 ? 20.974 13.664 -0.239 1.00 27.41 ? 40 ILE A CD1 1 ATOM 331 N N . SER A 1 41 ? 17.647 18.176 -2.097 1.00 30.00 ? 41 SER A N 1 ATOM 332 C CA . SER A 1 41 ? 17.469 19.532 -2.590 1.00 28.79 ? 41 SER A CA 1 ATOM 333 C C . SER A 1 41 ? 17.156 20.367 -1.383 1.00 28.18 ? 41 SER A C 1 ATOM 334 O O . SER A 1 41 ? 16.358 19.909 -0.552 1.00 27.63 ? 41 SER A O 1 ATOM 335 C CB . SER A 1 41 ? 16.316 19.515 -3.560 1.00 28.70 ? 41 SER A CB 1 ATOM 336 O OG . SER A 1 41 ? 16.191 20.754 -4.205 1.00 29.45 ? 41 SER A OG 1 ATOM 337 N N . ASN A 1 42 ? 17.805 21.525 -1.244 1.00 26.17 ? 42 ASN A N 1 ATOM 338 C CA . ASN A 1 42 ? 17.816 22.297 0.024 1.00 27.14 ? 42 ASN A CA 1 ATOM 339 C C . ASN A 1 42 ? 18.356 21.565 1.215 1.00 27.79 ? 42 ASN A C 1 ATOM 340 O O . ASN A 1 42 ? 17.970 21.835 2.381 1.00 26.80 ? 42 ASN A O 1 ATOM 341 C CB . ASN A 1 42 ? 16.441 22.786 0.425 1.00 31.74 ? 42 ASN A CB 1 ATOM 342 C CG . ASN A 1 42 ? 15.809 23.697 -0.619 1.00 35.40 ? 42 ASN A CG 1 ATOM 343 O OD1 . ASN A 1 42 ? 14.706 23.392 -1.120 1.00 38.38 ? 42 ASN A OD1 1 ATOM 344 N ND2 . ASN A 1 42 ? 16.491 24.808 -0.959 1.00 30.81 ? 42 ASN A ND2 1 ATOM 345 N N . ASN A 1 43 ? 19.271 20.643 0.948 1.00 26.97 ? 43 ASN A N 1 ATOM 346 C CA . ASN A 1 43 ? 19.816 19.806 1.996 1.00 24.76 ? 43 ASN A CA 1 ATOM 347 C C . ASN A 1 43 ? 18.797 18.884 2.620 1.00 22.26 ? 43 ASN A C 1 ATOM 348 O O . ASN A 1 43 ? 18.880 18.495 3.792 1.00 18.97 ? 43 ASN A O 1 ATOM 349 C CB . ASN A 1 43 ? 20.509 20.671 3.056 1.00 26.53 ? 43 ASN A CB 1 ATOM 350 C CG . ASN A 1 43 ? 21.771 21.320 2.524 1.00 28.84 ? 43 ASN A CG 1 ATOM 351 O OD1 . ASN A 1 43 ? 22.205 21.052 1.368 1.00 28.96 ? 43 ASN A OD1 1 ATOM 352 N ND2 . ASN A 1 43 ? 22.383 22.169 3.357 1.00 28.38 ? 43 ASN A ND2 1 ATOM 353 N N . GLU A 1 44 ? 17.848 18.474 1.815 1.00 24.87 ? 44 GLU A N 1 ATOM 354 C CA . GLU A 1 44 ? 16.733 17.679 2.355 1.00 28.35 ? 44 GLU A CA 1 ATOM 355 C C . GLU A 1 44 ? 16.254 16.606 1.385 1.00 26.28 ? 44 GLU A C 1 ATOM 356 O O . GLU A 1 44 ? 16.193 16.846 0.186 1.00 26.03 ? 44 GLU A O 1 ATOM 357 C CB . GLU A 1 44 ? 15.597 18.636 2.649 1.00 30.65 ? 44 GLU A CB 1 ATOM 358 C CG . GLU A 1 44 ? 15.852 19.509 3.856 1.00 32.82 ? 44 GLU A CG 1 ATOM 359 C CD . GLU A 1 44 ? 14.705 20.458 4.116 1.00 39.97 ? 44 GLU A CD 1 ATOM 360 O OE1 . GLU A 1 44 ? 13.544 19.979 4.078 1.00 42.93 ? 44 GLU A OE1 1 ATOM 361 O OE2 . GLU A 1 44 ? 14.958 21.680 4.318 1.00 46.18 ? 44 GLU A OE2 1 ATOM 362 N N . ILE A 1 45 ? 15.894 15.440 1.884 1.00 24.11 ? 45 ILE A N 1 ATOM 363 C CA . ILE A 1 45 ? 15.501 14.406 0.965 1.00 25.99 ? 45 ILE A CA 1 ATOM 364 C C . ILE A 1 45 ? 14.340 14.890 0.125 1.00 26.39 ? 45 ILE A C 1 ATOM 365 O O . ILE A 1 45 ? 13.539 15.645 0.609 1.00 28.07 ? 45 ILE A O 1 ATOM 366 C CB . ILE A 1 45 ? 15.153 13.095 1.663 1.00 28.16 ? 45 ILE A CB 1 ATOM 367 C CG1 . ILE A 1 45 ? 14.978 11.983 0.587 1.00 28.17 ? 45 ILE A CG1 1 ATOM 368 C CG2 . ILE A 1 45 ? 13.930 13.286 2.582 1.00 27.40 ? 45 ILE A CG2 1 ATOM 369 C CD1 . ILE A 1 45 ? 14.854 10.576 1.164 1.00 28.53 ? 45 ILE A CD1 1 ATOM 370 N N . ASP A 1 46 ? 14.255 14.466 -1.134 1.00 27.55 ? 46 ASP A N 1 ATOM 371 C CA . ASP A 1 46 ? 13.238 14.983 -2.051 1.00 27.12 ? 46 ASP A CA 1 ATOM 372 C C . ASP A 1 46 ? 12.985 14.074 -3.239 1.00 29.34 ? 46 ASP A C 1 ATOM 373 O O . ASP A 1 46 ? 13.794 13.211 -3.550 1.00 30.04 ? 46 ASP A O 1 ATOM 374 C CB . ASP A 1 46 ? 13.679 16.333 -2.558 1.00 27.69 ? 46 ASP A CB 1 ATOM 375 C CG . ASP A 1 46 ? 12.516 17.187 -3.079 1.00 28.92 ? 46 ASP A CG 1 ATOM 376 O OD1 . ASP A 1 46 ? 11.429 17.173 -2.476 1.00 30.76 ? 46 ASP A OD1 1 ATOM 377 O OD2 . ASP A 1 46 ? 12.710 17.916 -4.064 1.00 26.92 ? 46 ASP A OD2 1 ATOM 378 N N . THR A 1 47 ? 11.847 14.267 -3.901 1.00 30.20 ? 47 THR A N 1 ATOM 379 C CA . THR A 1 47 ? 11.495 13.470 -5.065 1.00 28.25 ? 47 THR A CA 1 ATOM 380 C C . THR A 1 47 ? 12.367 13.926 -6.230 1.00 28.48 ? 47 THR A C 1 ATOM 381 O O . THR A 1 47 ? 12.942 14.995 -6.173 1.00 26.26 ? 47 THR A O 1 ATOM 382 C CB . THR A 1 47 ? 10.020 13.697 -5.476 1.00 28.53 ? 47 THR A CB 1 ATOM 383 O OG1 . THR A 1 47 ? 9.876 14.942 -6.167 1.00 28.29 ? 47 THR A OG1 1 ATOM 384 C CG2 . THR A 1 47 ? 9.094 13.701 -4.276 1.00 28.73 ? 47 THR A CG2 1 ATOM 385 N N . TRP A 1 48 ? 12.343 13.159 -7.319 1.00 28.41 ? 48 TRP A N 1 ATOM 386 C CA . TRP A 1 48 ? 13.227 13.330 -8.456 1.00 29.39 ? 48 TRP A CA 1 ATOM 387 C C . TRP A 1 48 ? 12.391 13.552 -9.713 1.00 29.24 ? 48 TRP A C 1 ATOM 388 O O . TRP A 1 48 ? 12.499 14.567 -10.395 1.00 29.38 ? 48 TRP A O 1 ATOM 389 C CB . TRP A 1 48 ? 14.134 12.061 -8.628 1.00 29.66 ? 48 TRP A CB 1 ATOM 390 C CG . TRP A 1 48 ? 15.190 12.218 -9.651 1.00 30.14 ? 48 TRP A CG 1 ATOM 391 C CD1 . TRP A 1 48 ? 15.028 12.205 -11.002 1.00 33.39 ? 48 TRP A CD1 1 ATOM 392 C CD2 . TRP A 1 48 ? 16.576 12.454 -9.416 1.00 33.64 ? 48 TRP A CD2 1 ATOM 393 N NE1 . TRP A 1 48 ? 16.241 12.417 -11.641 1.00 35.18 ? 48 TRP A NE1 1 ATOM 394 C CE2 . TRP A 1 48 ? 17.207 12.572 -10.680 1.00 36.94 ? 48 TRP A CE2 1 ATOM 395 C CE3 . TRP A 1 48 ? 17.356 12.553 -8.258 1.00 35.35 ? 48 TRP A CE3 1 ATOM 396 C CZ2 . TRP A 1 48 ? 18.581 12.782 -10.811 1.00 38.41 ? 48 TRP A CZ2 1 ATOM 397 C CZ3 . TRP A 1 48 ? 18.700 12.753 -8.380 1.00 37.90 ? 48 TRP A CZ3 1 ATOM 398 C CH2 . TRP A 1 48 ? 19.313 12.873 -9.650 1.00 39.56 ? 48 TRP A CH2 1 ATOM 399 N N . GLU A 1 49 ? 11.610 12.559 -10.080 1.00 30.61 ? 49 GLU A N 1 ATOM 400 C CA . GLU A 1 49 ? 10.707 12.728 -11.186 1.00 31.87 ? 49 GLU A CA 1 ATOM 401 C C . GLU A 1 49 ? 9.607 13.711 -10.816 1.00 33.35 ? 49 GLU A C 1 ATOM 402 O O . GLU A 1 49 ? 9.370 14.035 -9.634 1.00 34.45 ? 49 GLU A O 1 ATOM 403 C CB . GLU A 1 49 ? 10.082 11.387 -11.587 1.00 35.58 ? 49 GLU A CB 1 ATOM 404 C CG . GLU A 1 49 ? 11.041 10.369 -12.200 1.00 35.69 ? 49 GLU A CG 1 ATOM 405 C CD . GLU A 1 49 ? 11.960 10.979 -13.247 1.00 40.25 ? 49 GLU A CD 1 ATOM 406 O OE1 . GLU A 1 49 ? 11.688 12.096 -13.789 1.00 45.31 ? 49 GLU A OE1 1 ATOM 407 O OE2 . GLU A 1 49 ? 12.989 10.342 -13.504 1.00 42.99 ? 49 GLU A OE2 1 ATOM 408 N N . TRP A 1 50 ? 8.944 14.192 -11.851 1.00 34.14 ? 50 TRP A N 1 ATOM 409 C CA . TRP A 1 50 ? 7.782 15.041 -11.678 1.00 38.35 ? 50 TRP A CA 1 ATOM 410 C C . TRP A 1 50 ? 6.652 14.315 -10.901 1.00 36.13 ? 50 TRP A C 1 ATOM 411 O O . TRP A 1 50 ? 5.988 14.911 -10.104 1.00 38.36 ? 50 TRP A O 1 ATOM 412 C CB . TRP A 1 50 ? 7.320 15.596 -13.043 1.00 39.42 ? 50 TRP A CB 1 ATOM 413 C CG . TRP A 1 50 ? 6.892 14.568 -13.954 1.00 45.02 ? 50 TRP A CG 1 ATOM 414 C CD1 . TRP A 1 50 ? 7.688 13.716 -14.676 1.00 49.50 ? 50 TRP A CD1 1 ATOM 415 C CD2 . TRP A 1 50 ? 5.554 14.230 -14.268 1.00 48.69 ? 50 TRP A CD2 1 ATOM 416 N NE1 . TRP A 1 50 ? 6.919 12.849 -15.413 1.00 45.96 ? 50 TRP A NE1 1 ATOM 417 C CE2 . TRP A 1 50 ? 5.600 13.145 -15.180 1.00 51.12 ? 50 TRP A CE2 1 ATOM 418 C CE3 . TRP A 1 50 ? 4.309 14.726 -13.860 1.00 53.94 ? 50 TRP A CE3 1 ATOM 419 C CZ2 . TRP A 1 50 ? 4.443 12.550 -15.695 1.00 50.93 ? 50 TRP A CZ2 1 ATOM 420 C CZ3 . TRP A 1 50 ? 3.145 14.129 -14.385 1.00 55.45 ? 50 TRP A CZ3 1 ATOM 421 C CH2 . TRP A 1 50 ? 3.230 13.053 -15.290 1.00 50.18 ? 50 TRP A CH2 1 ATOM 422 N N . ASN A 1 51 ? 6.515 13.015 -11.064 1.00 33.94 ? 51 ASN A N 1 ATOM 423 C CA . ASN A 1 51 ? 5.385 12.284 -10.501 1.00 33.21 ? 51 ASN A CA 1 ATOM 424 C C . ASN A 1 51 ? 5.786 11.211 -9.524 1.00 28.15 ? 51 ASN A C 1 ATOM 425 O O . ASN A 1 51 ? 5.048 10.306 -9.293 1.00 27.27 ? 51 ASN A O 1 ATOM 426 C CB . ASN A 1 51 ? 4.594 11.606 -11.630 1.00 34.86 ? 51 ASN A CB 1 ATOM 427 C CG . ASN A 1 51 ? 5.498 10.822 -12.569 1.00 40.33 ? 51 ASN A CG 1 ATOM 428 O OD1 . ASN A 1 51 ? 6.752 11.009 -12.581 1.00 42.48 ? 51 ASN A OD1 1 ATOM 429 N ND2 . ASN A 1 51 ? 4.888 9.971 -13.390 1.00 40.19 ? 51 ASN A ND2 1 ATOM 430 N N . ASP A 1 52 ? 6.947 11.316 -8.928 1.00 28.63 ? 52 ASP A N 1 ATOM 431 C CA . ASP A 1 52 ? 7.351 10.339 -7.926 1.00 27.30 ? 52 ASP A CA 1 ATOM 432 C C . ASP A 1 52 ? 6.293 10.175 -6.878 1.00 27.29 ? 52 ASP A C 1 ATOM 433 O O . ASP A 1 52 ? 6.028 9.054 -6.462 1.00 30.81 ? 52 ASP A O 1 ATOM 434 C CB . ASP A 1 52 ? 8.698 10.730 -7.251 1.00 27.95 ? 52 ASP A CB 1 ATOM 435 C CG . ASP A 1 52 ? 9.926 10.429 -8.131 1.00 28.03 ? 52 ASP A CG 1 ATOM 436 O OD1 . ASP A 1 52 ? 9.854 9.505 -8.943 1.00 30.09 ? 52 ASP A OD1 1 ATOM 437 O OD2 . ASP A 1 52 ? 10.984 11.080 -8.004 1.00 28.44 ? 52 ASP A OD2 1 ATOM 438 N N . VAL A 1 53 ? 5.698 11.272 -6.420 1.00 27.53 ? 53 VAL A N 1 ATOM 439 C CA . VAL A 1 53 ? 4.657 11.190 -5.372 1.00 30.42 ? 53 VAL A CA 1 ATOM 440 C C . VAL A 1 53 ? 3.574 10.123 -5.712 1.00 32.08 ? 53 VAL A C 1 ATOM 441 O O . VAL A 1 53 ? 3.089 9.426 -4.830 1.00 32.09 ? 53 VAL A O 1 ATOM 442 C CB . VAL A 1 53 ? 3.953 12.556 -5.130 1.00 30.47 ? 53 VAL A CB 1 ATOM 443 C CG1 . VAL A 1 53 ? 4.730 13.431 -4.180 1.00 31.43 ? 53 VAL A CG1 1 ATOM 444 C CG2 . VAL A 1 53 ? 3.755 13.328 -6.440 1.00 34.17 ? 53 VAL A CG2 1 ATOM 445 N N . THR A 1 54 ? 3.195 10.047 -6.988 1.00 30.80 ? 54 THR A N 1 ATOM 446 C CA . THR A 1 54 ? 2.262 9.069 -7.489 1.00 33.57 ? 54 THR A CA 1 ATOM 447 C C . THR A 1 54 ? 2.892 7.660 -7.511 1.00 32.50 ? 54 THR A C 1 ATOM 448 O O . THR A 1 54 ? 2.305 6.710 -7.035 1.00 32.61 ? 54 THR A O 1 ATOM 449 C CB . THR A 1 54 ? 1.782 9.453 -8.930 1.00 37.39 ? 54 THR A CB 1 ATOM 450 O OG1 . THR A 1 54 ? 1.079 10.700 -8.889 1.00 42.15 ? 54 THR A OG1 1 ATOM 451 C CG2 . THR A 1 54 ? 0.824 8.390 -9.514 1.00 37.83 ? 54 THR A CG2 1 ATOM 452 N N . LEU A 1 55 ? 4.093 7.516 -8.056 1.00 32.80 ? 55 LEU A N 1 ATOM 453 C CA . LEU A 1 55 ? 4.681 6.177 -8.197 1.00 29.90 ? 55 LEU A CA 1 ATOM 454 C C . LEU A 1 55 ? 5.013 5.648 -6.818 1.00 28.57 ? 55 LEU A C 1 ATOM 455 O O . LEU A 1 55 ? 4.781 4.472 -6.567 1.00 29.65 ? 55 LEU A O 1 ATOM 456 C CB . LEU A 1 55 ? 5.892 6.175 -9.151 1.00 27.89 ? 55 LEU A CB 1 ATOM 457 C CG . LEU A 1 55 ? 5.635 6.771 -10.541 1.00 28.49 ? 55 LEU A CG 1 ATOM 458 C CD1 . LEU A 1 55 ? 6.708 6.317 -11.543 1.00 29.48 ? 55 LEU A CD1 1 ATOM 459 C CD2 . LEU A 1 55 ? 4.262 6.408 -11.085 1.00 27.38 ? 55 LEU A CD2 1 ATOM 460 N N . TYR A 1 56 ? 5.485 6.515 -5.910 1.00 26.23 ? 56 TYR A N 1 ATOM 461 C CA . TYR A 1 56 ? 5.626 6.117 -4.501 1.00 25.90 ? 56 TYR A CA 1 ATOM 462 C C . TYR A 1 56 ? 4.346 5.513 -3.994 1.00 24.74 ? 56 TYR A C 1 ATOM 463 O O . TYR A 1 56 ? 4.375 4.568 -3.245 1.00 24.37 ? 56 TYR A O 1 ATOM 464 C CB . TYR A 1 56 ? 5.867 7.275 -3.558 1.00 24.93 ? 56 TYR A CB 1 ATOM 465 C CG . TYR A 1 56 ? 7.133 8.059 -3.711 1.00 26.16 ? 56 TYR A CG 1 ATOM 466 C CD1 . TYR A 1 56 ? 8.251 7.558 -4.387 1.00 27.13 ? 56 TYR A CD1 1 ATOM 467 C CD2 . TYR A 1 56 ? 7.231 9.301 -3.109 1.00 27.34 ? 56 TYR A CD2 1 ATOM 468 C CE1 . TYR A 1 56 ? 9.425 8.275 -4.449 1.00 25.46 ? 56 TYR A CE1 1 ATOM 469 C CE2 . TYR A 1 56 ? 8.397 10.033 -3.161 1.00 27.89 ? 56 TYR A CE2 1 ATOM 470 C CZ . TYR A 1 56 ? 9.477 9.530 -3.840 1.00 26.96 ? 56 TYR A CZ 1 ATOM 471 O OH . TYR A 1 56 ? 10.579 10.320 -3.862 1.00 24.90 ? 56 TYR A OH 1 ATOM 472 N N . ASP A 1 57 ? 3.239 6.146 -4.331 1.00 27.68 ? 57 ASP A N 1 ATOM 473 C CA . ASP A 1 57 ? 1.914 5.782 -3.817 1.00 31.36 ? 57 ASP A CA 1 ATOM 474 C C . ASP A 1 57 ? 1.450 4.411 -4.390 1.00 29.85 ? 57 ASP A C 1 ATOM 475 O O . ASP A 1 57 ? 0.957 3.563 -3.664 1.00 28.62 ? 57 ASP A O 1 ATOM 476 C CB . ASP A 1 57 ? 0.916 6.921 -4.143 1.00 34.53 ? 57 ASP A CB 1 ATOM 477 C CG . ASP A 1 57 ? -0.540 6.492 -4.019 1.00 35.04 ? 57 ASP A CG 1 ATOM 478 O OD1 . ASP A 1 57 ? -0.978 6.231 -2.894 1.00 31.08 ? 57 ASP A OD1 1 ATOM 479 O OD2 . ASP A 1 57 ? -1.227 6.386 -5.064 1.00 40.90 ? 57 ASP A OD2 1 ATOM 480 N N . THR A 1 58 ? 1.612 4.236 -5.694 1.00 28.50 ? 58 THR A N 1 ATOM 481 C CA . THR A 1 58 ? 1.428 2.957 -6.388 1.00 29.52 ? 58 THR A CA 1 ATOM 482 C C . THR A 1 58 ? 2.299 1.795 -5.877 1.00 30.94 ? 58 THR A C 1 ATOM 483 O O . THR A 1 58 ? 1.851 0.648 -5.889 1.00 30.73 ? 58 THR A O 1 ATOM 484 C CB . THR A 1 58 ? 1.780 3.175 -7.863 1.00 28.51 ? 58 THR A CB 1 ATOM 485 O OG1 . THR A 1 58 ? 1.059 4.321 -8.323 1.00 27.54 ? 58 THR A OG1 1 ATOM 486 C CG2 . THR A 1 58 ? 1.455 1.936 -8.741 1.00 28.27 ? 58 THR A CG2 1 ATOM 487 N N . LEU A 1 59 ? 3.544 2.097 -5.483 1.00 30.24 ? 59 LEU A N 1 ATOM 488 C CA . LEU A 1 59 ? 4.422 1.110 -4.843 1.00 30.09 ? 59 LEU A CA 1 ATOM 489 C C . LEU A 1 59 ? 3.955 0.810 -3.455 1.00 27.08 ? 59 LEU A C 1 ATOM 490 O O . LEU A 1 59 ? 3.841 -0.343 -3.040 1.00 27.46 ? 59 LEU A O 1 ATOM 491 C CB . LEU A 1 59 ? 5.864 1.611 -4.718 1.00 31.76 ? 59 LEU A CB 1 ATOM 492 C CG . LEU A 1 59 ? 6.828 0.731 -3.882 1.00 30.56 ? 59 LEU A CG 1 ATOM 493 C CD1 . LEU A 1 59 ? 7.502 -0.289 -4.771 1.00 32.37 ? 59 LEU A CD1 1 ATOM 494 C CD2 . LEU A 1 59 ? 7.895 1.521 -3.174 1.00 29.30 ? 59 LEU A CD2 1 ATOM 495 N N . ASN A 1 60 ? 3.706 1.842 -2.692 1.00 29.87 ? 60 ASN A N 1 ATOM 496 C CA . ASN A 1 60 ? 3.234 1.606 -1.316 1.00 32.52 ? 60 ASN A CA 1 ATOM 497 C C . ASN A 1 60 ? 1.811 0.987 -1.186 1.00 30.50 ? 60 ASN A C 1 ATOM 498 O O . ASN A 1 60 ? 1.466 0.406 -0.157 1.00 29.41 ? 60 ASN A O 1 ATOM 499 C CB . ASN A 1 60 ? 3.551 2.833 -0.447 1.00 34.02 ? 60 ASN A CB 1 ATOM 500 C CG . ASN A 1 60 ? 5.118 3.012 -0.243 1.00 37.02 ? 60 ASN A CG 1 ATOM 501 O OD1 . ASN A 1 60 ? 5.739 4.075 -0.538 1.00 29.20 ? 60 ASN A OD1 1 ATOM 502 N ND2 . ASN A 1 60 ? 5.752 1.930 0.236 1.00 34.28 ? 60 ASN A ND2 1 ATOM 503 N N . THR A 1 61 ? 1.034 0.990 -2.258 1.00 30.06 ? 61 THR A N 1 ATOM 504 C CA . THR A 1 61 ? -0.212 0.230 -2.266 1.00 32.95 ? 61 THR A CA 1 ATOM 505 C C . THR A 1 61 ? -0.068 -1.300 -2.612 1.00 32.33 ? 61 THR A C 1 ATOM 506 O O . THR A 1 61 ? -1.020 -2.110 -2.486 1.00 30.85 ? 61 THR A O 1 ATOM 507 C CB . THR A 1 61 ? -1.203 0.908 -3.210 1.00 33.82 ? 61 THR A CB 1 ATOM 508 O OG1 . THR A 1 61 ? -0.541 1.175 -4.447 1.00 39.90 ? 61 THR A OG1 1 ATOM 509 C CG2 . THR A 1 61 ? -1.682 2.203 -2.591 1.00 34.28 ? 61 THR A CG2 1 ATOM 510 N N . LEU A 1 62 ? 1.103 -1.694 -3.085 1.00 30.84 ? 62 LEU A N 1 ATOM 511 C CA . LEU A 1 62 ? 1.424 -3.091 -3.177 1.00 29.62 ? 62 LEU A CA 1 ATOM 512 C C . LEU A 1 62 ? 1.430 -3.726 -1.792 1.00 30.10 ? 62 LEU A C 1 ATOM 513 O O . LEU A 1 62 ? 1.088 -4.885 -1.645 1.00 31.45 ? 62 LEU A O 1 ATOM 514 C CB . LEU A 1 62 ? 2.747 -3.295 -3.876 1.00 32.06 ? 62 LEU A CB 1 ATOM 515 C CG . LEU A 1 62 ? 2.764 -2.882 -5.346 1.00 33.30 ? 62 LEU A CG 1 ATOM 516 C CD1 . LEU A 1 62 ? 4.129 -3.242 -5.905 1.00 33.67 ? 62 LEU A CD1 1 ATOM 517 C CD2 . LEU A 1 62 ? 1.680 -3.529 -6.190 1.00 32.84 ? 62 LEU A CD2 1 ATOM 518 N N . LYS A 1 63 ? 1.736 -2.951 -0.768 1.00 32.51 ? 63 LYS A N 1 ATOM 519 C CA . LYS A 1 63 ? 1.492 -3.360 0.628 1.00 34.05 ? 63 LYS A CA 1 ATOM 520 C C . LYS A 1 63 ? 0.081 -3.825 0.986 1.00 38.02 ? 63 LYS A C 1 ATOM 521 O O . LYS A 1 63 ? -0.106 -4.429 2.043 1.00 42.40 ? 63 LYS A O 1 ATOM 522 C CB . LYS A 1 63 ? 1.803 -2.221 1.585 1.00 34.03 ? 63 LYS A CB 1 ATOM 523 C CG . LYS A 1 63 ? 3.010 -2.485 2.448 1.00 35.22 ? 63 LYS A CG 1 ATOM 524 C CD . LYS A 1 63 ? 4.241 -2.155 1.667 1.00 35.47 ? 63 LYS A CD 1 ATOM 525 C CE . LYS A 1 63 ? 4.636 -0.737 1.959 1.00 35.98 ? 63 LYS A CE 1 ATOM 526 N NZ . LYS A 1 63 ? 5.167 -0.514 3.330 1.00 34.02 ? 63 LYS A NZ 1 ATOM 527 N N . ASN A 1 64 ? -0.907 -3.517 0.157 1.00 37.49 ? 64 ASN A N 1 ATOM 528 C CA . ASN A 1 64 ? -2.269 -3.946 0.437 1.00 41.31 ? 64 ASN A CA 1 ATOM 529 C C . ASN A 1 64 ? -2.505 -5.398 0.065 1.00 37.67 ? 64 ASN A C 1 ATOM 530 O O . ASN A 1 64 ? -3.289 -6.087 0.686 1.00 33.69 ? 64 ASN A O 1 ATOM 531 C CB . ASN A 1 64 ? -3.271 -3.070 -0.318 1.00 43.26 ? 64 ASN A CB 1 ATOM 532 C CG . ASN A 1 64 ? -3.362 -1.706 0.277 1.00 45.36 ? 64 ASN A CG 1 ATOM 533 O OD1 . ASN A 1 64 ? -3.071 -1.526 1.467 1.00 44.23 ? 64 ASN A OD1 1 ATOM 534 N ND2 . ASN A 1 64 ? -3.745 -0.722 -0.531 1.00 51.12 ? 64 ASN A ND2 1 ATOM 535 N N . ARG A 1 65 ? -1.838 -5.820 -0.986 1.00 35.02 ? 65 ARG A N 1 ATOM 536 C CA . ARG A 1 65 ? -1.786 -7.207 -1.354 1.00 35.53 ? 65 ARG A CA 1 ATOM 537 C C . ARG A 1 65 ? -0.842 -8.018 -0.472 1.00 33.04 ? 65 ARG A C 1 ATOM 538 O O . ARG A 1 65 ? -1.148 -9.153 -0.109 1.00 33.29 ? 65 ARG A O 1 ATOM 539 C CB . ARG A 1 65 ? -1.365 -7.313 -2.801 1.00 38.14 ? 65 ARG A CB 1 ATOM 540 C CG . ARG A 1 65 ? -2.398 -6.742 -3.746 1.00 37.39 ? 65 ARG A CG 1 ATOM 541 C CD . ARG A 1 65 ? -2.702 -7.833 -4.739 1.00 45.39 ? 65 ARG A CD 1 ATOM 542 N NE . ARG A 1 65 ? -1.889 -7.654 -5.926 1.00 51.21 ? 65 ARG A NE 1 ATOM 543 C CZ . ARG A 1 65 ? -1.471 -8.628 -6.720 1.00 52.35 ? 65 ARG A CZ 1 ATOM 544 N NH1 . ARG A 1 65 ? -1.742 -9.901 -6.458 1.00 54.86 ? 65 ARG A NH1 1 ATOM 545 N NH2 . ARG A 1 65 ? -0.742 -8.305 -7.773 1.00 59.44 ? 65 ARG A NH2 1 ATOM 546 N N . ASN A 1 66 ? 0.287 -7.446 -0.090 1.00 30.33 ? 66 ASN A N 1 ATOM 547 C CA . ASN A 1 66 ? 1.188 -8.167 0.793 1.00 28.57 ? 66 ASN A CA 1 ATOM 548 C C . ASN A 1 66 ? 1.628 -7.286 1.919 1.00 27.97 ? 66 ASN A C 1 ATOM 549 O O . ASN A 1 66 ? 2.646 -6.606 1.828 1.00 27.15 ? 66 ASN A O 1 ATOM 550 C CB . ASN A 1 66 ? 2.366 -8.724 -0.019 1.00 28.12 ? 66 ASN A CB 1 ATOM 551 C CG . ASN A 1 66 ? 3.458 -9.325 0.852 1.00 27.67 ? 66 ASN A CG 1 ATOM 552 O OD1 . ASN A 1 66 ? 3.260 -9.690 2.043 1.00 29.27 ? 66 ASN A OD1 1 ATOM 553 N ND2 . ASN A 1 66 ? 4.645 -9.360 0.287 1.00 25.98 ? 66 ASN A ND2 1 ATOM 554 N N . PRO A 1 67 ? 0.865 -7.293 3.007 1.00 32.23 ? 67 PRO A N 1 ATOM 555 C CA . PRO A 1 67 ? 1.194 -6.436 4.165 1.00 31.19 ? 67 PRO A CA 1 ATOM 556 C C . PRO A 1 67 ? 2.591 -6.667 4.733 1.00 29.98 ? 67 PRO A C 1 ATOM 557 O O . PRO A 1 67 ? 3.078 -5.848 5.461 1.00 34.93 ? 67 PRO A O 1 ATOM 558 C CB . PRO A 1 67 ? 0.151 -6.834 5.211 1.00 31.58 ? 67 PRO A CB 1 ATOM 559 C CG . PRO A 1 67 ? -0.962 -7.506 4.443 1.00 32.76 ? 67 PRO A CG 1 ATOM 560 C CD . PRO A 1 67 ? -0.320 -8.141 3.256 1.00 33.67 ? 67 PRO A CD 1 ATOM 561 N N . ASN A 1 68 ? 3.238 -7.772 4.433 1.00 29.46 ? 68 ASN A N 1 ATOM 562 C CA . ASN A 1 68 ? 4.545 -7.975 5.002 1.00 30.75 ? 68 ASN A CA 1 ATOM 563 C C . ASN A 1 68 ? 5.651 -7.287 4.145 1.00 28.51 ? 68 ASN A C 1 ATOM 564 O O . ASN A 1 68 ? 6.736 -7.059 4.610 1.00 27.73 ? 68 ASN A O 1 ATOM 565 C CB . ASN A 1 68 ? 4.803 -9.453 5.225 1.00 32.59 ? 68 ASN A CB 1 ATOM 566 C CG . ASN A 1 68 ? 4.325 -9.957 6.599 1.00 38.59 ? 68 ASN A CG 1 ATOM 567 O OD1 . ASN A 1 68 ? 4.039 -9.204 7.529 1.00 43.00 ? 68 ASN A OD1 1 ATOM 568 N ND2 . ASN A 1 68 ? 4.293 -11.265 6.733 1.00 43.38 ? 68 ASN A ND2 1 ATOM 569 N N . LEU A 1 69 ? 5.319 -6.886 2.928 1.00 26.83 ? 69 LEU A N 1 ATOM 570 C CA . LEU A 1 69 ? 6.292 -6.331 2.011 1.00 24.89 ? 69 LEU A CA 1 ATOM 571 C C . LEU A 1 69 ? 6.923 -5.062 2.590 1.00 25.59 ? 69 LEU A C 1 ATOM 572 O O . LEU A 1 69 ? 6.208 -4.150 2.961 1.00 26.48 ? 69 LEU A O 1 ATOM 573 C CB . LEU A 1 69 ? 5.626 -6.048 0.678 1.00 22.54 ? 69 LEU A CB 1 ATOM 574 C CG . LEU A 1 69 ? 6.384 -5.877 -0.650 1.00 20.55 ? 69 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 69 ? 6.198 -4.516 -1.269 1.00 19.03 ? 69 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 69 ? 7.859 -6.244 -0.556 1.00 22.01 ? 69 LEU A CD2 1 ATOM 577 N N . LYS A 1 70 ? 8.261 -5.032 2.696 1.00 25.55 ? 70 LYS A N 1 ATOM 578 C CA . LYS A 1 70 ? 8.967 -3.821 3.124 1.00 25.64 ? 70 LYS A CA 1 ATOM 579 C C . LYS A 1 70 ? 9.453 -3.021 1.919 1.00 23.28 ? 70 LYS A C 1 ATOM 580 O O . LYS A 1 70 ? 9.818 -3.580 0.887 1.00 23.20 ? 70 LYS A O 1 ATOM 581 C CB . LYS A 1 70 ? 10.089 -4.141 4.044 1.00 27.55 ? 70 LYS A CB 1 ATOM 582 C CG . LYS A 1 70 ? 9.615 -4.898 5.267 1.00 31.79 ? 70 LYS A CG 1 ATOM 583 C CD . LYS A 1 70 ? 8.854 -3.967 6.204 1.00 36.64 ? 70 LYS A CD 1 ATOM 584 C CE . LYS A 1 70 ? 9.072 -4.281 7.687 1.00 37.97 ? 70 LYS A CE 1 ATOM 585 N NZ . LYS A 1 70 ? 9.753 -3.136 8.414 1.00 37.55 ? 70 LYS A NZ 1 ATOM 586 N N . THR A 1 71 ? 9.338 -1.695 2.014 1.00 22.67 ? 71 THR A N 1 ATOM 587 C CA . THR A 1 71 ? 9.807 -0.822 0.950 1.00 21.79 ? 71 THR A CA 1 ATOM 588 C C . THR A 1 71 ? 10.788 0.178 1.484 1.00 20.48 ? 71 THR A C 1 ATOM 589 O O . THR A 1 71 ? 10.690 0.619 2.608 1.00 20.50 ? 71 THR A O 1 ATOM 590 C CB . THR A 1 71 ? 8.657 -0.071 0.260 1.00 22.21 ? 71 THR A CB 1 ATOM 591 O OG1 . THR A 1 71 ? 7.973 0.740 1.224 1.00 22.21 ? 71 THR A OG1 1 ATOM 592 C CG2 . THR A 1 71 ? 7.689 -1.061 -0.381 1.00 23.18 ? 71 THR A CG2 1 ATOM 593 N N . LEU A 1 72 ? 11.729 0.552 0.643 1.00 20.24 ? 72 LEU A N 1 ATOM 594 C CA . LEU A 1 72 ? 12.694 1.564 0.985 1.00 19.44 ? 72 LEU A CA 1 ATOM 595 C C . LEU A 1 72 ? 12.842 2.527 -0.153 1.00 19.28 ? 72 LEU A C 1 ATOM 596 O O . LEU A 1 72 ? 12.541 2.235 -1.321 1.00 19.24 ? 72 LEU A O 1 ATOM 597 C CB . LEU A 1 72 ? 14.079 0.941 1.302 1.00 20.13 ? 72 LEU A CB 1 ATOM 598 C CG . LEU A 1 72 ? 14.187 0.306 2.701 1.00 21.41 ? 72 LEU A CG 1 ATOM 599 C CD1 . LEU A 1 72 ? 13.826 -1.192 2.662 1.00 21.55 ? 72 LEU A CD1 1 ATOM 600 C CD2 . LEU A 1 72 ? 15.584 0.482 3.243 1.00 23.19 ? 72 LEU A CD2 1 ATOM 601 N N . LEU A 1 73 ? 13.369 3.685 0.191 1.00 20.03 ? 73 LEU A N 1 ATOM 602 C CA . LEU A 1 73 ? 13.693 4.661 -0.806 1.00 19.82 ? 73 LEU A CA 1 ATOM 603 C C . LEU A 1 73 ? 15.165 4.849 -0.812 1.00 18.66 ? 73 LEU A C 1 ATOM 604 O O . LEU A 1 73 ? 15.782 5.009 0.248 1.00 16.82 ? 73 LEU A O 1 ATOM 605 C CB . LEU A 1 73 ? 13.007 5.963 -0.453 1.00 19.63 ? 73 LEU A CB 1 ATOM 606 C CG . LEU A 1 73 ? 13.224 7.073 -1.420 1.00 19.88 ? 73 LEU A CG 1 ATOM 607 C CD1 . LEU A 1 73 ? 12.620 6.848 -2.797 1.00 19.97 ? 73 LEU A CD1 1 ATOM 608 C CD2 . LEU A 1 73 ? 12.604 8.278 -0.785 1.00 22.21 ? 73 LEU A CD2 1 ATOM 609 N N . SER A 1 74 ? 15.718 4.888 -2.022 1.00 19.35 ? 74 SER A N 1 ATOM 610 C CA . SER A 1 74 ? 17.155 5.074 -2.187 1.00 20.38 ? 74 SER A CA 1 ATOM 611 C C . SER A 1 74 ? 17.550 6.514 -2.504 1.00 20.88 ? 74 SER A C 1 ATOM 612 O O . SER A 1 74 ? 17.114 7.066 -3.531 1.00 22.81 ? 74 SER A O 1 ATOM 613 C CB . SER A 1 74 ? 17.689 4.179 -3.304 1.00 21.00 ? 74 SER A CB 1 ATOM 614 O OG . SER A 1 74 ? 19.112 4.191 -3.310 1.00 23.45 ? 74 SER A OG 1 ATOM 615 N N . VAL A 1 75 ? 18.445 7.093 -1.687 1.00 20.94 ? 75 VAL A N 1 ATOM 616 C CA . VAL A 1 75 ? 18.969 8.461 -1.943 1.00 21.08 ? 75 VAL A CA 1 ATOM 617 C C . VAL A 1 75 ? 20.360 8.489 -2.581 1.00 20.04 ? 75 VAL A C 1 ATOM 618 O O . VAL A 1 75 ? 21.312 7.953 -2.052 1.00 16.93 ? 75 VAL A O 1 ATOM 619 C CB . VAL A 1 75 ? 19.097 9.338 -0.661 1.00 22.07 ? 75 VAL A CB 1 ATOM 620 C CG1 . VAL A 1 75 ? 18.418 10.665 -0.897 1.00 22.80 ? 75 VAL A CG1 1 ATOM 621 C CG2 . VAL A 1 75 ? 18.483 8.737 0.538 1.00 22.29 ? 75 VAL A CG2 1 ATOM 622 N N . GLY A 1 76 ? 20.468 9.169 -3.698 1.00 20.34 ? 76 GLY A N 1 ATOM 623 C CA . GLY A 1 76 ? 21.706 9.243 -4.395 1.00 21.71 ? 76 GLY A CA 1 ATOM 624 C C . GLY A 1 76 ? 21.633 8.660 -5.763 1.00 23.71 ? 76 GLY A C 1 ATOM 625 O O . GLY A 1 76 ? 20.886 9.171 -6.590 1.00 25.03 ? 76 GLY A O 1 ATOM 626 N N . GLY A 1 77 ? 22.403 7.596 -6.001 1.00 26.65 ? 77 GLY A N 1 ATOM 627 C CA . GLY A 1 77 ? 22.623 7.066 -7.351 1.00 29.54 ? 77 GLY A CA 1 ATOM 628 C C . GLY A 1 77 ? 23.671 7.871 -8.092 1.00 35.04 ? 77 GLY A C 1 ATOM 629 O O . GLY A 1 77 ? 24.232 8.823 -7.546 1.00 31.34 ? 77 GLY A O 1 ATOM 630 N N . TRP A 1 78 ? 23.866 7.571 -9.359 1.00 42.68 ? 78 TRP A N 1 ATOM 631 C CA . TRP A 1 78 ? 24.921 8.204 -10.116 1.00 52.02 ? 78 TRP A CA 1 ATOM 632 C C . TRP A 1 78 ? 24.591 9.515 -10.796 1.00 55.68 ? 78 TRP A C 1 ATOM 633 O O . TRP A 1 78 ? 25.379 10.423 -10.826 1.00 57.91 ? 78 TRP A O 1 ATOM 634 C CB . TRP A 1 78 ? 25.493 7.236 -11.121 1.00 58.47 ? 78 TRP A CB 1 ATOM 635 C CG . TRP A 1 78 ? 24.525 6.778 -12.091 1.00 63.42 ? 78 TRP A CG 1 ATOM 636 C CD1 . TRP A 1 78 ? 24.158 7.395 -13.235 1.00 65.07 ? 78 TRP A CD1 1 ATOM 637 C CD2 . TRP A 1 78 ? 23.778 5.596 -12.016 1.00 61.77 ? 78 TRP A CD2 1 ATOM 638 N NE1 . TRP A 1 78 ? 23.209 6.677 -13.858 1.00 62.20 ? 78 TRP A NE1 1 ATOM 639 C CE2 . TRP A 1 78 ? 22.965 5.551 -13.129 1.00 63.98 ? 78 TRP A CE2 1 ATOM 640 C CE3 . TRP A 1 78 ? 23.708 4.570 -11.096 1.00 64.66 ? 78 TRP A CE3 1 ATOM 641 C CZ2 . TRP A 1 78 ? 22.108 4.512 -13.366 1.00 67.64 ? 78 TRP A CZ2 1 ATOM 642 C CZ3 . TRP A 1 78 ? 22.857 3.550 -11.327 1.00 63.96 ? 78 TRP A CZ3 1 ATOM 643 C CH2 . TRP A 1 78 ? 22.073 3.518 -12.454 1.00 66.34 ? 78 TRP A CH2 1 ATOM 644 N N . ASN A 1 79 ? 23.411 9.626 -11.332 1.00 59.63 ? 79 ASN A N 1 ATOM 645 C CA . ASN A 1 79 ? 22.946 10.934 -11.856 1.00 60.74 ? 79 ASN A CA 1 ATOM 646 C C . ASN A 1 79 ? 23.259 12.086 -10.892 1.00 54.39 ? 79 ASN A C 1 ATOM 647 O O . ASN A 1 79 ? 23.266 13.250 -11.241 1.00 49.67 ? 79 ASN A O 1 ATOM 648 C CB . ASN A 1 79 ? 21.442 10.893 -12.105 1.00 61.56 ? 79 ASN A CB 1 ATOM 649 C CG . ASN A 1 79 ? 21.093 10.626 -13.545 1.00 64.84 ? 79 ASN A CG 1 ATOM 650 O OD1 . ASN A 1 79 ? 21.934 10.201 -14.333 1.00 65.50 ? 79 ASN A OD1 1 ATOM 651 N ND2 . ASN A 1 79 ? 19.832 10.881 -13.900 1.00 70.82 ? 79 ASN A ND2 1 ATOM 652 N N . TYR A 1 80 ? 23.579 11.692 -9.679 1.00 57.77 ? 80 TYR A N 1 ATOM 653 C CA . TYR A 1 80 ? 23.719 12.538 -8.549 1.00 59.23 ? 80 TYR A CA 1 ATOM 654 C C . TYR A 1 80 ? 25.196 12.627 -8.186 1.00 62.09 ? 80 TYR A C 1 ATOM 655 O O . TYR A 1 80 ? 25.878 11.599 -8.050 1.00 59.71 ? 80 TYR A O 1 ATOM 656 C CB . TYR A 1 80 ? 22.959 11.839 -7.449 1.00 60.16 ? 80 TYR A CB 1 ATOM 657 C CG . TYR A 1 80 ? 22.712 12.687 -6.298 1.00 62.14 ? 80 TYR A CG 1 ATOM 658 C CD1 . TYR A 1 80 ? 21.605 13.511 -6.266 1.00 67.56 ? 80 TYR A CD1 1 ATOM 659 C CD2 . TYR A 1 80 ? 23.590 12.697 -5.240 1.00 65.48 ? 80 TYR A CD2 1 ATOM 660 C CE1 . TYR A 1 80 ? 21.370 14.325 -5.190 1.00 71.38 ? 80 TYR A CE1 1 ATOM 661 C CE2 . TYR A 1 80 ? 23.376 13.509 -4.159 1.00 71.84 ? 80 TYR A CE2 1 ATOM 662 C CZ . TYR A 1 80 ? 22.264 14.319 -4.142 1.00 76.53 ? 80 TYR A CZ 1 ATOM 663 O OH . TYR A 1 80 ? 22.062 15.127 -3.065 1.00 89.23 ? 80 TYR A OH 1 ATOM 664 N N . GLY A 1 81 ? 25.693 13.848 -8.032 1.00 64.37 ? 81 GLY A N 1 ATOM 665 C CA . GLY A 1 81 ? 27.110 14.066 -7.725 1.00 69.07 ? 81 GLY A CA 1 ATOM 666 C C . GLY A 1 81 ? 27.563 13.554 -6.358 1.00 67.87 ? 81 GLY A C 1 ATOM 667 O O . GLY A 1 81 ? 27.034 13.973 -5.322 1.00 75.43 ? 81 GLY A O 1 ATOM 668 N N . SER A 1 82 ? 28.526 12.624 -6.360 1.00 62.38 ? 82 SER A N 1 ATOM 669 C CA . SER A 1 82 ? 29.330 12.299 -5.166 1.00 54.93 ? 82 SER A CA 1 ATOM 670 C C . SER A 1 82 ? 29.732 13.592 -4.451 1.00 49.38 ? 82 SER A C 1 ATOM 671 O O . SER A 1 82 ? 29.581 13.750 -3.227 1.00 35.69 ? 82 SER A O 1 ATOM 672 C CB . SER A 1 82 ? 30.591 11.537 -5.576 1.00 55.87 ? 82 SER A CB 1 ATOM 673 O OG . SER A 1 82 ? 31.541 11.507 -4.516 1.00 61.07 ? 82 SER A OG 1 ATOM 674 N N . GLN A 1 83 ? 30.254 14.503 -5.272 1.00 50.33 ? 83 GLN A N 1 ATOM 675 C CA . GLN A 1 83 ? 30.581 15.877 -4.897 1.00 46.22 ? 83 GLN A CA 1 ATOM 676 C C . GLN A 1 83 ? 29.460 16.465 -4.061 1.00 42.40 ? 83 GLN A C 1 ATOM 677 O O . GLN A 1 83 ? 29.684 16.898 -2.944 1.00 39.56 ? 83 GLN A O 1 ATOM 678 C CB . GLN A 1 83 ? 30.838 16.721 -6.148 1.00 45.19 ? 83 GLN A CB 1 ATOM 679 C CG . GLN A 1 83 ? 29.951 16.371 -7.355 1.00 52.68 ? 83 GLN A CG 1 ATOM 680 C CD . GLN A 1 83 ? 30.614 15.459 -8.413 1.00 56.13 ? 83 GLN A CD 1 ATOM 681 O OE1 . GLN A 1 83 ? 31.214 15.955 -9.367 1.00 57.27 ? 83 GLN A OE1 1 ATOM 682 N NE2 . GLN A 1 83 ? 30.462 14.136 -8.276 1.00 52.89 ? 83 GLN A NE2 1 ATOM 683 N N . ARG A 1 84 ? 28.241 16.418 -4.584 1.00 42.68 ? 84 ARG A N 1 ATOM 684 C CA . ARG A 1 84 ? 27.082 16.972 -3.881 1.00 39.14 ? 84 ARG A CA 1 ATOM 685 C C . ARG A 1 84 ? 26.755 16.200 -2.607 1.00 34.48 ? 84 ARG A C 1 ATOM 686 O O . ARG A 1 84 ? 26.382 16.807 -1.601 1.00 33.76 ? 84 ARG A O 1 ATOM 687 C CB . ARG A 1 84 ? 25.855 16.988 -4.795 1.00 42.33 ? 84 ARG A CB 1 ATOM 688 C CG . ARG A 1 84 ? 26.069 17.555 -6.204 1.00 43.32 ? 84 ARG A CG 1 ATOM 689 C CD . ARG A 1 84 ? 24.757 17.590 -6.979 1.00 46.80 ? 84 ARG A CD 1 ATOM 690 N NE . ARG A 1 84 ? 23.622 17.710 -6.068 1.00 48.36 ? 84 ARG A NE 1 ATOM 691 C CZ . ARG A 1 84 ? 22.383 17.312 -6.325 1.00 47.64 ? 84 ARG A CZ 1 ATOM 692 N NH1 . ARG A 1 84 ? 22.050 16.789 -7.498 1.00 47.27 ? 84 ARG A NH1 1 ATOM 693 N NH2 . ARG A 1 84 ? 21.471 17.439 -5.372 1.00 47.71 ? 84 ARG A NH2 1 ATOM 694 N N . PHE A 1 85 ? 26.915 14.871 -2.613 1.00 31.22 ? 85 PHE A N 1 ATOM 695 C CA . PHE A 1 85 ? 26.722 14.093 -1.353 1.00 30.87 ? 85 PHE A CA 1 ATOM 696 C C . PHE A 1 85 ? 27.780 14.472 -0.321 1.00 31.46 ? 85 PHE A C 1 ATOM 697 O O . PHE A 1 85 ? 27.509 14.711 0.873 1.00 32.30 ? 85 PHE A O 1 ATOM 698 C CB . PHE A 1 85 ? 26.838 12.609 -1.621 1.00 34.31 ? 85 PHE A CB 1 ATOM 699 C CG . PHE A 1 85 ? 25.710 11.784 -1.059 1.00 34.19 ? 85 PHE A CG 1 ATOM 700 C CD1 . PHE A 1 85 ? 25.397 11.836 0.285 1.00 34.95 ? 85 PHE A CD1 1 ATOM 701 C CD2 . PHE A 1 85 ? 24.988 10.929 -1.881 1.00 34.77 ? 85 PHE A CD2 1 ATOM 702 C CE1 . PHE A 1 85 ? 24.375 11.070 0.800 1.00 34.43 ? 85 PHE A CE1 1 ATOM 703 C CE2 . PHE A 1 85 ? 23.958 10.179 -1.371 1.00 35.30 ? 85 PHE A CE2 1 ATOM 704 C CZ . PHE A 1 85 ? 23.648 10.253 -0.035 1.00 34.18 ? 85 PHE A CZ 1 ATOM 705 N N . SER A 1 86 ? 29.012 14.521 -0.796 1.00 32.51 ? 86 SER A N 1 ATOM 706 C CA . SER A 1 86 ? 30.136 14.989 -0.005 1.00 33.62 ? 86 SER A CA 1 ATOM 707 C C . SER A 1 86 ? 29.882 16.302 0.755 1.00 33.20 ? 86 SER A C 1 ATOM 708 O O . SER A 1 86 ? 30.218 16.443 1.945 1.00 32.73 ? 86 SER A O 1 ATOM 709 C CB . SER A 1 86 ? 31.316 15.181 -0.922 1.00 35.08 ? 86 SER A CB 1 ATOM 710 O OG . SER A 1 86 ? 32.392 15.668 -0.161 1.00 45.66 ? 86 SER A OG 1 ATOM 711 N N . LYS A 1 87 ? 29.287 17.259 0.060 1.00 34.16 ? 87 LYS A N 1 ATOM 712 C CA . LYS A 1 87 ? 29.007 18.586 0.632 1.00 34.22 ? 87 LYS A CA 1 ATOM 713 C C . LYS A 1 87 ? 27.983 18.515 1.726 1.00 33.08 ? 87 LYS A C 1 ATOM 714 O O . LYS A 1 87 ? 28.152 19.129 2.795 1.00 36.25 ? 87 LYS A O 1 ATOM 715 C CB . LYS A 1 87 ? 28.530 19.563 -0.443 1.00 38.58 ? 87 LYS A CB 1 ATOM 716 C CG . LYS A 1 87 ? 29.562 20.595 -0.875 1.00 42.16 ? 87 LYS A CG 1 ATOM 717 C CD . LYS A 1 87 ? 29.382 21.902 -0.115 1.00 47.32 ? 87 LYS A CD 1 ATOM 718 C CE . LYS A 1 87 ? 30.646 22.769 -0.164 1.00 51.20 ? 87 LYS A CE 1 ATOM 719 N NZ . LYS A 1 87 ? 30.497 24.095 0.527 1.00 50.51 ? 87 LYS A NZ 1 ATOM 720 N N . ILE A 1 88 ? 26.922 17.757 1.485 1.00 31.70 ? 88 ILE A N 1 ATOM 721 C CA . ILE A 1 88 ? 25.923 17.564 2.521 1.00 31.51 ? 88 ILE A CA 1 ATOM 722 C C . ILE A 1 88 ? 26.501 16.877 3.759 1.00 31.32 ? 88 ILE A C 1 ATOM 723 O O . ILE A 1 88 ? 26.231 17.309 4.870 1.00 34.53 ? 88 ILE A O 1 ATOM 724 C CB . ILE A 1 88 ? 24.703 16.780 1.983 1.00 33.18 ? 88 ILE A CB 1 ATOM 725 C CG1 . ILE A 1 88 ? 23.872 17.671 1.054 1.00 31.45 ? 88 ILE A CG1 1 ATOM 726 C CG2 . ILE A 1 88 ? 23.814 16.266 3.114 1.00 31.66 ? 88 ILE A CG2 1 ATOM 727 C CD1 . ILE A 1 88 ? 23.288 16.903 -0.103 1.00 34.02 ? 88 ILE A CD1 1 ATOM 728 N N . ALA A 1 89 ? 27.316 15.846 3.578 1.00 31.09 ? 89 ALA A N 1 ATOM 729 C CA . ALA A 1 89 ? 27.707 14.974 4.697 1.00 28.63 ? 89 ALA A CA 1 ATOM 730 C C . ALA A 1 89 ? 28.846 15.519 5.510 1.00 28.27 ? 89 ALA A C 1 ATOM 731 O O . ALA A 1 89 ? 28.913 15.306 6.723 1.00 28.83 ? 89 ALA A O 1 ATOM 732 C CB . ALA A 1 89 ? 28.070 13.592 4.169 1.00 29.58 ? 89 ALA A CB 1 ATOM 733 N N . SER A 1 90 ? 29.718 16.262 4.862 1.00 29.66 ? 90 SER A N 1 ATOM 734 C CA . SER A 1 90 ? 30.927 16.729 5.510 1.00 34.75 ? 90 SER A CA 1 ATOM 735 C C . SER A 1 90 ? 30.781 17.961 6.396 1.00 35.56 ? 90 SER A C 1 ATOM 736 O O . SER A 1 90 ? 31.762 18.371 6.987 1.00 39.97 ? 90 SER A O 1 ATOM 737 C CB . SER A 1 90 ? 32.020 16.982 4.457 1.00 38.87 ? 90 SER A CB 1 ATOM 738 O OG . SER A 1 90 ? 31.683 18.082 3.619 1.00 44.88 ? 90 SER A OG 1 ATOM 739 N N . LYS A 1 91 ? 29.581 18.538 6.498 1.00 40.20 ? 91 LYS A N 1 ATOM 740 C CA . LYS A 1 91 ? 29.333 19.714 7.358 1.00 42.11 ? 91 LYS A CA 1 ATOM 741 C C . LYS A 1 91 ? 28.245 19.466 8.379 1.00 41.82 ? 91 LYS A C 1 ATOM 742 O O . LYS A 1 91 ? 27.169 19.012 8.022 1.00 46.65 ? 91 LYS A O 1 ATOM 743 C CB . LYS A 1 91 ? 28.904 20.923 6.519 1.00 44.24 ? 91 LYS A CB 1 ATOM 744 C CG . LYS A 1 91 ? 29.841 21.273 5.373 1.00 49.09 ? 91 LYS A CG 1 ATOM 745 C CD . LYS A 1 91 ? 29.670 22.710 4.889 1.00 51.86 ? 91 LYS A CD 1 ATOM 746 C CE . LYS A 1 91 ? 28.628 22.807 3.789 1.00 56.75 ? 91 LYS A CE 1 ATOM 747 N NZ . LYS A 1 91 ? 27.796 24.040 3.931 1.00 62.95 ? 91 LYS A NZ 1 ATOM 748 N N . THR A 1 92 ? 28.462 19.825 9.634 1.00 40.02 ? 92 THR A N 1 ATOM 749 C CA . THR A 1 92 ? 27.501 19.403 10.648 1.00 46.39 ? 92 THR A CA 1 ATOM 750 C C . THR A 1 92 ? 26.069 19.954 10.470 1.00 48.30 ? 92 THR A C 1 ATOM 751 O O . THR A 1 92 ? 25.133 19.393 11.035 1.00 50.30 ? 92 THR A O 1 ATOM 752 C CB . THR A 1 92 ? 27.962 19.700 12.088 1.00 45.59 ? 92 THR A CB 1 ATOM 753 O OG1 . THR A 1 92 ? 28.050 21.097 12.265 1.00 51.81 ? 92 THR A OG1 1 ATOM 754 C CG2 . THR A 1 92 ? 29.304 19.075 12.384 1.00 48.17 ? 92 THR A CG2 1 ATOM 755 N N . GLN A 1 93 ? 25.899 21.014 9.684 1.00 49.31 ? 93 GLN A N 1 ATOM 756 C CA . GLN A 1 93 ? 24.591 21.680 9.528 1.00 49.55 ? 93 GLN A CA 1 ATOM 757 C C . GLN A 1 93 ? 23.787 21.218 8.299 1.00 43.81 ? 93 GLN A C 1 ATOM 758 O O . GLN A 1 93 ? 22.551 21.119 8.333 1.00 44.16 ? 93 GLN A O 1 ATOM 759 C CB . GLN A 1 93 ? 24.805 23.197 9.475 1.00 52.33 ? 93 GLN A CB 1 ATOM 760 C CG . GLN A 1 93 ? 23.945 23.983 10.453 1.00 59.41 ? 93 GLN A CG 1 ATOM 761 C CD . GLN A 1 93 ? 22.975 24.913 9.757 1.00 62.81 ? 93 GLN A CD 1 ATOM 762 O OE1 . GLN A 1 93 ? 21.774 24.664 9.736 1.00 71.80 ? 93 GLN A OE1 1 ATOM 763 N NE2 . GLN A 1 93 ? 23.497 25.993 9.175 1.00 67.63 ? 93 GLN A NE2 1 ATOM 764 N N . SER A 1 94 ? 24.482 20.953 7.203 1.00 36.30 ? 94 SER A N 1 ATOM 765 C CA . SER A 1 94 ? 23.820 20.379 6.064 1.00 34.58 ? 94 SER A CA 1 ATOM 766 C C . SER A 1 94 ? 23.470 18.897 6.326 1.00 33.07 ? 94 SER A C 1 ATOM 767 O O . SER A 1 94 ? 22.480 18.368 5.806 1.00 34.53 ? 94 SER A O 1 ATOM 768 C CB . SER A 1 94 ? 24.691 20.527 4.822 1.00 33.95 ? 94 SER A CB 1 ATOM 769 O OG . SER A 1 94 ? 26.016 20.177 5.125 1.00 35.75 ? 94 SER A OG 1 ATOM 770 N N . ARG A 1 95 ? 24.280 18.245 7.142 1.00 30.75 ? 95 ARG A N 1 ATOM 771 C CA . ARG A 1 95 ? 24.084 16.856 7.480 1.00 31.51 ? 95 ARG A CA 1 ATOM 772 C C . ARG A 1 95 ? 22.875 16.749 8.409 1.00 29.77 ? 95 ARG A C 1 ATOM 773 O O . ARG A 1 95 ? 22.118 15.774 8.369 1.00 27.68 ? 95 ARG A O 1 ATOM 774 C CB . ARG A 1 95 ? 25.369 16.303 8.145 1.00 32.97 ? 95 ARG A CB 1 ATOM 775 C CG . ARG A 1 95 ? 25.392 14.790 8.320 1.00 34.02 ? 95 ARG A CG 1 ATOM 776 C CD . ARG A 1 95 ? 26.724 14.240 8.795 1.00 33.39 ? 95 ARG A CD 1 ATOM 777 N NE . ARG A 1 95 ? 27.108 14.784 10.090 1.00 34.89 ? 95 ARG A NE 1 ATOM 778 C CZ . ARG A 1 95 ? 28.235 15.474 10.320 1.00 36.19 ? 95 ARG A CZ 1 ATOM 779 N NH1 . ARG A 1 95 ? 29.168 15.695 9.360 1.00 31.87 ? 95 ARG A NH1 1 ATOM 780 N NH2 . ARG A 1 95 ? 28.440 15.937 11.542 1.00 36.48 ? 95 ARG A NH2 1 ATOM 781 N N . ARG A 1 96 ? 22.704 17.753 9.254 1.00 29.23 ? 96 ARG A N 1 ATOM 782 C CA . ARG A 1 96 ? 21.651 17.748 10.241 1.00 31.04 ? 96 ARG A CA 1 ATOM 783 C C . ARG A 1 96 ? 20.276 18.030 9.593 1.00 30.62 ? 96 ARG A C 1 ATOM 784 O O . ARG A 1 96 ? 19.272 17.385 9.909 1.00 33.05 ? 96 ARG A O 1 ATOM 785 C CB . ARG A 1 96 ? 21.971 18.770 11.325 1.00 34.54 ? 96 ARG A CB 1 ATOM 786 C CG . ARG A 1 96 ? 21.333 18.421 12.649 1.00 39.53 ? 96 ARG A CG 1 ATOM 787 C CD . ARG A 1 96 ? 19.853 18.659 12.572 1.00 42.25 ? 96 ARG A CD 1 ATOM 788 N NE . ARG A 1 96 ? 19.103 17.579 13.195 1.00 48.21 ? 96 ARG A NE 1 ATOM 789 C CZ . ARG A 1 96 ? 18.770 17.535 14.484 1.00 49.94 ? 96 ARG A CZ 1 ATOM 790 N NH1 . ARG A 1 96 ? 19.170 18.487 15.338 1.00 56.94 ? 96 ARG A NH1 1 ATOM 791 N NH2 . ARG A 1 96 ? 18.047 16.526 14.931 1.00 44.64 ? 96 ARG A NH2 1 ATOM 792 N N . THR A 1 97 ? 20.254 18.996 8.688 1.00 27.87 ? 97 THR A N 1 ATOM 793 C CA . THR A 1 97 ? 19.074 19.340 7.971 1.00 27.69 ? 97 THR A CA 1 ATOM 794 C C . THR A 1 97 ? 18.624 18.094 7.225 1.00 28.02 ? 97 THR A C 1 ATOM 795 O O . THR A 1 97 ? 17.482 17.648 7.386 1.00 28.83 ? 97 THR A O 1 ATOM 796 C CB . THR A 1 97 ? 19.370 20.549 7.037 1.00 29.03 ? 97 THR A CB 1 ATOM 797 O OG1 . THR A 1 97 ? 19.668 21.673 7.859 1.00 29.57 ? 97 THR A OG1 1 ATOM 798 C CG2 . THR A 1 97 ? 18.207 20.925 6.087 1.00 26.09 ? 97 THR A CG2 1 ATOM 799 N N . PHE A 1 98 ? 19.514 17.508 6.451 1.00 27.67 ? 98 PHE A N 1 ATOM 800 C CA . PHE A 1 98 ? 19.154 16.308 5.679 1.00 29.43 ? 98 PHE A CA 1 ATOM 801 C C . PHE A 1 98 ? 18.621 15.146 6.564 1.00 29.42 ? 98 PHE A C 1 ATOM 802 O O . PHE A 1 98 ? 17.534 14.580 6.310 1.00 32.18 ? 98 PHE A O 1 ATOM 803 C CB . PHE A 1 98 ? 20.331 15.906 4.769 1.00 28.27 ? 98 PHE A CB 1 ATOM 804 C CG . PHE A 1 98 ? 20.217 14.533 4.199 1.00 28.97 ? 98 PHE A CG 1 ATOM 805 C CD1 . PHE A 1 98 ? 19.154 14.181 3.416 1.00 30.46 ? 98 PHE A CD1 1 ATOM 806 C CD2 . PHE A 1 98 ? 21.176 13.583 4.467 1.00 28.14 ? 98 PHE A CD2 1 ATOM 807 C CE1 . PHE A 1 98 ? 19.054 12.893 2.902 1.00 30.27 ? 98 PHE A CE1 1 ATOM 808 C CE2 . PHE A 1 98 ? 21.069 12.293 3.989 1.00 28.13 ? 98 PHE A CE2 1 ATOM 809 C CZ . PHE A 1 98 ? 20.002 11.939 3.211 1.00 28.01 ? 98 PHE A CZ 1 ATOM 810 N N . ILE A 1 99 ? 19.344 14.801 7.609 1.00 26.71 ? 99 ILE A N 1 ATOM 811 C CA . ILE A 1 99 ? 18.930 13.689 8.450 1.00 26.32 ? 99 ILE A CA 1 ATOM 812 C C . ILE A 1 99 ? 17.554 13.950 9.064 1.00 26.86 ? 99 ILE A C 1 ATOM 813 O O . ILE A 1 99 ? 16.697 13.059 9.095 1.00 24.97 ? 99 ILE A O 1 ATOM 814 C CB . ILE A 1 99 ? 19.939 13.454 9.603 1.00 26.76 ? 99 ILE A CB 1 ATOM 815 C CG1 . ILE A 1 99 ? 21.230 12.826 9.076 1.00 26.64 ? 99 ILE A CG1 1 ATOM 816 C CG2 . ILE A 1 99 ? 19.327 12.658 10.768 1.00 26.12 ? 99 ILE A CG2 1 ATOM 817 C CD1 . ILE A 1 99 ? 22.341 12.760 10.120 1.00 27.10 ? 99 ILE A CD1 1 ATOM 818 N N . LYS A 1 100 ? 17.349 15.151 9.600 1.00 27.82 ? 100 LYS A N 1 ATOM 819 C CA . LYS A 1 100 ? 16.056 15.453 10.188 1.00 28.06 ? 100 LYS A CA 1 ATOM 820 C C . LYS A 1 100 ? 14.969 15.368 9.205 1.00 24.28 ? 100 LYS A C 1 ATOM 821 O O . LYS A 1 100 ? 13.862 15.018 9.579 1.00 30.44 ? 100 LYS A O 1 ATOM 822 C CB . LYS A 1 100 ? 15.982 16.819 10.825 1.00 33.40 ? 100 LYS A CB 1 ATOM 823 C CG . LYS A 1 100 ? 16.200 16.805 12.328 1.00 37.30 ? 100 LYS A CG 1 ATOM 824 C CD . LYS A 1 100 ? 15.410 15.715 13.067 1.00 40.77 ? 100 LYS A CD 1 ATOM 825 C CE . LYS A 1 100 ? 15.062 16.103 14.510 1.00 42.53 ? 100 LYS A CE 1 ATOM 826 N NZ . LYS A 1 100 ? 15.153 14.976 15.482 1.00 43.09 ? 100 LYS A NZ 1 ATOM 827 N N . SER A 1 101 ? 15.276 15.628 7.951 1.00 20.43 ? 101 SER A N 1 ATOM 828 C CA . SER A 1 101 ? 14.257 15.710 6.907 1.00 19.96 ? 101 SER A CA 1 ATOM 829 C C . SER A 1 101 ? 13.759 14.348 6.436 1.00 21.86 ? 101 SER A C 1 ATOM 830 O O . SER A 1 101 ? 12.762 14.236 5.715 1.00 21.82 ? 101 SER A O 1 ATOM 831 C CB . SER A 1 101 ? 14.837 16.433 5.697 1.00 18.89 ? 101 SER A CB 1 ATOM 832 O OG . SER A 1 101 ? 15.529 15.522 4.858 1.00 19.74 ? 101 SER A OG 1 ATOM 833 N N . VAL A 1 102 ? 14.484 13.298 6.795 1.00 23.45 ? 102 VAL A N 1 ATOM 834 C CA . VAL A 1 102 ? 14.228 12.001 6.195 1.00 21.87 ? 102 VAL A CA 1 ATOM 835 C C . VAL A 1 102 ? 13.041 11.207 6.772 1.00 20.57 ? 102 VAL A C 1 ATOM 836 O O . VAL A 1 102 ? 12.245 10.718 6.000 1.00 17.90 ? 102 VAL A O 1 ATOM 837 C CB . VAL A 1 102 ? 15.504 11.158 6.121 1.00 21.78 ? 102 VAL A CB 1 ATOM 838 C CG1 . VAL A 1 102 ? 15.200 9.715 5.699 1.00 23.45 ? 102 VAL A CG1 1 ATOM 839 C CG2 . VAL A 1 102 ? 16.442 11.755 5.105 1.00 22.26 ? 102 VAL A CG2 1 ATOM 840 N N . PRO A 1 103 ? 12.947 11.037 8.094 1.00 20.48 ? 103 PRO A N 1 ATOM 841 C CA . PRO A 1 103 ? 11.807 10.314 8.660 1.00 21.17 ? 103 PRO A CA 1 ATOM 842 C C . PRO A 1 103 ? 10.398 10.840 8.255 1.00 24.53 ? 103 PRO A C 1 ATOM 843 O O . PRO A 1 103 ? 9.544 10.011 7.885 1.00 25.91 ? 103 PRO A O 1 ATOM 844 C CB . PRO A 1 103 ? 12.013 10.427 10.179 1.00 20.89 ? 103 PRO A CB 1 ATOM 845 C CG . PRO A 1 103 ? 13.450 10.727 10.385 1.00 21.15 ? 103 PRO A CG 1 ATOM 846 C CD . PRO A 1 103 ? 13.961 11.381 9.110 1.00 22.11 ? 103 PRO A CD 1 ATOM 847 N N . PRO A 1 104 ? 10.143 12.172 8.337 1.00 22.94 ? 104 PRO A N 1 ATOM 848 C CA . PRO A 1 104 ? 8.791 12.598 8.006 1.00 24.42 ? 104 PRO A CA 1 ATOM 849 C C . PRO A 1 104 ? 8.545 12.409 6.545 1.00 24.56 ? 104 PRO A C 1 ATOM 850 O O . PRO A 1 104 ? 7.404 12.168 6.164 1.00 25.56 ? 104 PRO A O 1 ATOM 851 C CB . PRO A 1 104 ? 8.765 14.107 8.317 1.00 25.48 ? 104 PRO A CB 1 ATOM 852 C CG . PRO A 1 104 ? 9.975 14.395 9.133 1.00 25.43 ? 104 PRO A CG 1 ATOM 853 C CD . PRO A 1 104 ? 10.955 13.269 8.871 1.00 25.41 ? 104 PRO A CD 1 ATOM 854 N N . PHE A 1 105 ? 9.584 12.542 5.720 1.00 22.28 ? 105 PHE A N 1 ATOM 855 C CA . PHE A 1 105 ? 9.411 12.310 4.280 1.00 20.21 ? 105 PHE A CA 1 ATOM 856 C C . PHE A 1 105 ? 9.084 10.829 3.972 1.00 21.47 ? 105 PHE A C 1 ATOM 857 O O . PHE A 1 105 ? 8.157 10.524 3.193 1.00 22.62 ? 105 PHE A O 1 ATOM 858 C CB . PHE A 1 105 ? 10.624 12.801 3.517 1.00 18.07 ? 105 PHE A CB 1 ATOM 859 C CG . PHE A 1 105 ? 10.454 12.806 2.026 1.00 17.95 ? 105 PHE A CG 1 ATOM 860 C CD1 . PHE A 1 105 ? 9.958 13.905 1.387 1.00 18.19 ? 105 PHE A CD1 1 ATOM 861 C CD2 . PHE A 1 105 ? 10.790 11.699 1.265 1.00 18.00 ? 105 PHE A CD2 1 ATOM 862 C CE1 . PHE A 1 105 ? 9.789 13.915 0.017 1.00 18.65 ? 105 PHE A CE1 1 ATOM 863 C CE2 . PHE A 1 105 ? 10.651 11.720 -0.102 1.00 18.65 ? 105 PHE A CE2 1 ATOM 864 C CZ . PHE A 1 105 ? 10.168 12.848 -0.734 1.00 18.26 ? 105 PHE A CZ 1 ATOM 865 N N . LEU A 1 106 ? 9.792 9.899 4.599 1.00 22.35 ? 106 LEU A N 1 ATOM 866 C CA . LEU A 1 106 ? 9.441 8.445 4.497 1.00 22.53 ? 106 LEU A CA 1 ATOM 867 C C . LEU A 1 106 ? 7.993 8.113 4.997 1.00 22.42 ? 106 LEU A C 1 ATOM 868 O O . LEU A 1 106 ? 7.229 7.437 4.359 1.00 20.28 ? 106 LEU A O 1 ATOM 869 C CB . LEU A 1 106 ? 10.428 7.605 5.301 1.00 20.89 ? 106 LEU A CB 1 ATOM 870 C CG . LEU A 1 106 ? 11.750 7.031 4.767 1.00 22.04 ? 106 LEU A CG 1 ATOM 871 C CD1 . LEU A 1 106 ? 12.339 7.658 3.514 1.00 21.37 ? 106 LEU A CD1 1 ATOM 872 C CD2 . LEU A 1 106 ? 12.765 7.035 5.906 1.00 22.27 ? 106 LEU A CD2 1 ATOM 873 N N . ARG A 1 107 ? 7.681 8.559 6.182 1.00 24.91 ? 107 ARG A N 1 ATOM 874 C CA . ARG A 1 107 ? 6.372 8.372 6.788 1.00 27.83 ? 107 ARG A CA 1 ATOM 875 C C . ARG A 1 107 ? 5.242 8.864 5.846 1.00 28.28 ? 107 ARG A C 1 ATOM 876 O O . ARG A 1 107 ? 4.345 8.129 5.512 1.00 29.98 ? 107 ARG A O 1 ATOM 877 C CB . ARG A 1 107 ? 6.360 9.163 8.101 1.00 28.82 ? 107 ARG A CB 1 ATOM 878 C CG . ARG A 1 107 ? 6.553 8.414 9.399 1.00 30.17 ? 107 ARG A CG 1 ATOM 879 C CD . ARG A 1 107 ? 7.769 7.537 9.484 1.00 33.26 ? 107 ARG A CD 1 ATOM 880 N NE . ARG A 1 107 ? 7.464 6.114 9.329 1.00 36.14 ? 107 ARG A NE 1 ATOM 881 C CZ . ARG A 1 107 ? 7.701 5.158 10.221 1.00 36.88 ? 107 ARG A CZ 1 ATOM 882 N NH1 . ARG A 1 107 ? 8.268 5.443 11.388 1.00 35.87 ? 107 ARG A NH1 1 ATOM 883 N NH2 . ARG A 1 107 ? 7.378 3.893 9.921 1.00 37.58 ? 107 ARG A NH2 1 ATOM 884 N N . THR A 1 108 ? 5.313 10.118 5.428 1.00 31.29 ? 108 THR A N 1 ATOM 885 C CA . THR A 1 108 ? 4.397 10.739 4.450 1.00 31.46 ? 108 THR A CA 1 ATOM 886 C C . THR A 1 108 ? 4.094 9.855 3.226 1.00 32.10 ? 108 THR A C 1 ATOM 887 O O . THR A 1 108 ? 2.943 9.779 2.798 1.00 32.38 ? 108 THR A O 1 ATOM 888 C CB . THR A 1 108 ? 5.025 12.095 3.996 1.00 33.51 ? 108 THR A CB 1 ATOM 889 O OG1 . THR A 1 108 ? 5.180 12.922 5.144 1.00 34.12 ? 108 THR A OG1 1 ATOM 890 C CG2 . THR A 1 108 ? 4.206 12.861 2.924 1.00 31.86 ? 108 THR A CG2 1 ATOM 891 N N . HIS A 1 109 ? 5.117 9.190 2.675 1.00 32.02 ? 109 HIS A N 1 ATOM 892 C CA . HIS A 1 109 ? 5.006 8.466 1.384 1.00 30.53 ? 109 HIS A CA 1 ATOM 893 C C . HIS A 1 109 ? 4.928 6.959 1.540 1.00 27.59 ? 109 HIS A C 1 ATOM 894 O O . HIS A 1 109 ? 4.681 6.213 0.561 1.00 28.31 ? 109 HIS A O 1 ATOM 895 C CB . HIS A 1 109 ? 6.129 8.908 0.427 1.00 32.70 ? 109 HIS A CB 1 ATOM 896 C CG . HIS A 1 109 ? 6.048 10.367 0.085 1.00 34.40 ? 109 HIS A CG 1 ATOM 897 N ND1 . HIS A 1 109 ? 4.920 10.933 -0.487 1.00 37.76 ? 109 HIS A ND1 1 ATOM 898 C CD2 . HIS A 1 109 ? 6.906 11.388 0.300 1.00 35.94 ? 109 HIS A CD2 1 ATOM 899 C CE1 . HIS A 1 109 ? 5.104 12.231 -0.644 1.00 33.72 ? 109 HIS A CE1 1 ATOM 900 N NE2 . HIS A 1 109 ? 6.296 12.535 -0.166 1.00 37.60 ? 109 HIS A NE2 1 ATOM 901 N N . GLY A 1 110 ? 5.027 6.517 2.786 1.00 25.12 ? 110 GLY A N 1 ATOM 902 C CA . GLY A 1 110 ? 4.714 5.143 3.160 1.00 24.00 ? 110 GLY A CA 1 ATOM 903 C C . GLY A 1 110 ? 5.909 4.191 3.145 1.00 24.33 ? 110 GLY A C 1 ATOM 904 O O . GLY A 1 110 ? 5.744 2.993 3.290 1.00 25.50 ? 110 GLY A O 1 ATOM 905 N N . PHE A 1 111 ? 7.120 4.709 2.998 1.00 22.99 ? 111 PHE A N 1 ATOM 906 C CA . PHE A 1 111 ? 8.291 3.838 3.028 1.00 22.31 ? 111 PHE A CA 1 ATOM 907 C C . PHE A 1 111 ? 8.585 3.369 4.449 1.00 23.52 ? 111 PHE A C 1 ATOM 908 O O . PHE A 1 111 ? 8.177 4.022 5.415 1.00 24.39 ? 111 PHE A O 1 ATOM 909 C CB . PHE A 1 111 ? 9.500 4.558 2.456 1.00 21.91 ? 111 PHE A CB 1 ATOM 910 C CG . PHE A 1 111 ? 9.403 4.842 0.972 1.00 20.13 ? 111 PHE A CG 1 ATOM 911 C CD1 . PHE A 1 111 ? 9.615 3.829 0.059 1.00 20.07 ? 111 PHE A CD1 1 ATOM 912 C CD2 . PHE A 1 111 ? 9.146 6.122 0.504 1.00 19.44 ? 111 PHE A CD2 1 ATOM 913 C CE1 . PHE A 1 111 ? 9.581 4.070 -1.305 1.00 19.94 ? 111 PHE A CE1 1 ATOM 914 C CE2 . PHE A 1 111 ? 9.096 6.381 -0.860 1.00 19.56 ? 111 PHE A CE2 1 ATOM 915 C CZ . PHE A 1 111 ? 9.315 5.348 -1.764 1.00 20.23 ? 111 PHE A CZ 1 ATOM 916 N N . ASP A 1 112 ? 9.297 2.230 4.541 1.00 23.47 ? 112 ASP A N 1 ATOM 917 C CA . ASP A 1 112 ? 9.778 1.623 5.768 1.00 23.70 ? 112 ASP A CA 1 ATOM 918 C C . ASP A 1 112 ? 11.262 1.918 6.042 1.00 23.49 ? 112 ASP A C 1 ATOM 919 O O . ASP A 1 112 ? 11.807 1.617 7.126 1.00 23.58 ? 112 ASP A O 1 ATOM 920 C CB . ASP A 1 112 ? 9.583 0.107 5.687 1.00 26.43 ? 112 ASP A CB 1 ATOM 921 C CG . ASP A 1 112 ? 8.120 -0.270 5.422 1.00 31.23 ? 112 ASP A CG 1 ATOM 922 O OD1 . ASP A 1 112 ? 7.258 0.206 6.193 1.00 34.17 ? 112 ASP A OD1 1 ATOM 923 O OD2 . ASP A 1 112 ? 7.824 -1.006 4.442 1.00 31.85 ? 112 ASP A OD2 1 ATOM 924 N N . GLY A 1 113 ? 11.958 2.477 5.072 1.00 22.35 ? 113 GLY A N 1 ATOM 925 C CA . GLY A 1 113 ? 13.339 2.848 5.357 1.00 21.68 ? 113 GLY A CA 1 ATOM 926 C C . GLY A 1 113 ? 14.038 3.648 4.289 1.00 22.32 ? 113 GLY A C 1 ATOM 927 O O . GLY A 1 113 ? 13.456 3.991 3.217 1.00 20.37 ? 113 GLY A O 1 ATOM 928 N N . LEU A 1 114 ? 15.318 3.926 4.602 1.00 21.67 ? 114 LEU A N 1 ATOM 929 C CA . LEU A 1 114 ? 16.193 4.624 3.712 1.00 19.12 ? 114 LEU A CA 1 ATOM 930 C C . LEU A 1 114 ? 17.316 3.701 3.207 1.00 19.56 ? 114 LEU A C 1 ATOM 931 O O . LEU A 1 114 ? 17.940 2.983 4.002 1.00 17.56 ? 114 LEU A O 1 ATOM 932 C CB . LEU A 1 114 ? 16.747 5.848 4.441 1.00 18.98 ? 114 LEU A CB 1 ATOM 933 C CG . LEU A 1 114 ? 17.470 6.822 3.477 1.00 19.46 ? 114 LEU A CG 1 ATOM 934 C CD1 . LEU A 1 114 ? 16.451 7.504 2.589 1.00 18.79 ? 114 LEU A CD1 1 ATOM 935 C CD2 . LEU A 1 114 ? 18.364 7.856 4.154 1.00 19.90 ? 114 LEU A CD2 1 ATOM 936 N N . ASP A 1 115 ? 17.559 3.728 1.885 1.00 20.38 ? 115 ASP A N 1 ATOM 937 C CA . ASP A 1 115 ? 18.798 3.216 1.299 1.00 21.66 ? 115 ASP A CA 1 ATOM 938 C C . ASP A 1 115 ? 19.741 4.378 0.952 1.00 20.43 ? 115 ASP A C 1 ATOM 939 O O . ASP A 1 115 ? 19.359 5.311 0.265 1.00 20.23 ? 115 ASP A O 1 ATOM 940 C CB . ASP A 1 115 ? 18.526 2.387 0.052 1.00 25.38 ? 115 ASP A CB 1 ATOM 941 C CG . ASP A 1 115 ? 19.724 1.447 -0.337 1.00 29.24 ? 115 ASP A CG 1 ATOM 942 O OD1 . ASP A 1 115 ? 20.018 0.531 0.446 1.00 33.41 ? 115 ASP A OD1 1 ATOM 943 O OD2 . ASP A 1 115 ? 20.338 1.607 -1.432 1.00 30.85 ? 115 ASP A OD2 1 ATOM 944 N N . LEU A 1 116 ? 20.989 4.327 1.424 1.00 18.25 ? 116 LEU A N 1 ATOM 945 C CA . LEU A 1 116 ? 21.958 5.345 1.049 1.00 16.40 ? 116 LEU A CA 1 ATOM 946 C C . LEU A 1 116 ? 22.675 4.846 -0.134 1.00 14.93 ? 116 LEU A C 1 ATOM 947 O O . LEU A 1 116 ? 23.372 3.878 -0.007 1.00 12.90 ? 116 LEU A O 1 ATOM 948 C CB . LEU A 1 116 ? 22.915 5.580 2.202 1.00 16.68 ? 116 LEU A CB 1 ATOM 949 C CG . LEU A 1 116 ? 22.201 6.125 3.424 1.00 16.50 ? 116 LEU A CG 1 ATOM 950 C CD1 . LEU A 1 116 ? 23.126 6.092 4.610 1.00 17.11 ? 116 LEU A CD1 1 ATOM 951 C CD2 . LEU A 1 116 ? 21.718 7.549 3.189 1.00 15.98 ? 116 LEU A CD2 1 ATOM 952 N N . ALA A 1 117 ? 22.496 5.480 -1.286 1.00 16.47 ? 117 ALA A N 1 ATOM 953 C CA . ALA A 1 117 ? 23.296 5.175 -2.539 1.00 18.09 ? 117 ALA A CA 1 ATOM 954 C C . ALA A 1 117 ? 24.239 6.310 -2.973 1.00 20.57 ? 117 ALA A C 1 ATOM 955 O O . ALA A 1 117 ? 24.063 6.956 -4.033 1.00 21.67 ? 117 ALA A O 1 ATOM 956 C CB . ALA A 1 117 ? 22.387 4.790 -3.712 1.00 18.09 ? 117 ALA A CB 1 ATOM 957 N N . TRP A 1 118 ? 25.276 6.511 -2.170 1.00 22.43 ? 118 TRP A N 1 ATOM 958 C CA . TRP A 1 118 ? 26.352 7.457 -2.494 1.00 24.01 ? 118 TRP A CA 1 ATOM 959 C C . TRP A 1 118 ? 27.380 6.690 -3.339 1.00 25.03 ? 118 TRP A C 1 ATOM 960 O O . TRP A 1 118 ? 28.065 5.832 -2.859 1.00 26.34 ? 118 TRP A O 1 ATOM 961 C CB . TRP A 1 118 ? 26.949 7.986 -1.167 1.00 24.15 ? 118 TRP A CB 1 ATOM 962 C CG . TRP A 1 118 ? 28.028 9.015 -1.234 1.00 21.59 ? 118 TRP A CG 1 ATOM 963 C CD1 . TRP A 1 118 ? 28.641 9.516 -2.329 1.00 20.88 ? 118 TRP A CD1 1 ATOM 964 C CD2 . TRP A 1 118 ? 28.640 9.630 -0.114 1.00 19.95 ? 118 TRP A CD2 1 ATOM 965 N NE1 . TRP A 1 118 ? 29.584 10.433 -1.958 1.00 18.76 ? 118 TRP A NE1 1 ATOM 966 C CE2 . TRP A 1 118 ? 29.607 10.514 -0.602 1.00 18.75 ? 118 TRP A CE2 1 ATOM 967 C CE3 . TRP A 1 118 ? 28.412 9.568 1.265 1.00 19.34 ? 118 TRP A CE3 1 ATOM 968 C CZ2 . TRP A 1 118 ? 30.371 11.298 0.227 1.00 19.16 ? 118 TRP A CZ2 1 ATOM 969 C CZ3 . TRP A 1 118 ? 29.176 10.334 2.088 1.00 19.45 ? 118 TRP A CZ3 1 ATOM 970 C CH2 . TRP A 1 118 ? 30.143 11.202 1.572 1.00 18.50 ? 118 TRP A CH2 1 ATOM 971 N N . LEU A 1 119 ? 27.429 6.977 -4.628 1.00 30.19 ? 119 LEU A N 1 ATOM 972 C CA . LEU A 1 119 ? 28.379 6.328 -5.538 1.00 28.90 ? 119 LEU A CA 1 ATOM 973 C C . LEU A 1 119 ? 29.321 7.399 -6.060 1.00 30.89 ? 119 LEU A C 1 ATOM 974 O O . LEU A 1 119 ? 28.966 8.108 -7.028 1.00 31.26 ? 119 LEU A O 1 ATOM 975 C CB . LEU A 1 119 ? 27.645 5.687 -6.728 1.00 27.44 ? 119 LEU A CB 1 ATOM 976 C CG . LEU A 1 119 ? 26.290 5.024 -6.428 1.00 28.12 ? 119 LEU A CG 1 ATOM 977 C CD1 . LEU A 1 119 ? 25.550 4.762 -7.719 1.00 28.60 ? 119 LEU A CD1 1 ATOM 978 C CD2 . LEU A 1 119 ? 26.436 3.756 -5.609 1.00 26.01 ? 119 LEU A CD2 1 ATOM 979 N N . TRP A 1 120 ? 30.505 7.552 -5.464 1.00 31.08 ? 120 TRP A N 1 ATOM 980 C CA . TRP A 1 120 ? 30.995 6.813 -4.300 1.00 35.22 ? 120 TRP A CA 1 ATOM 981 C C . TRP A 1 120 ? 31.803 7.798 -3.480 1.00 33.58 ? 120 TRP A C 1 ATOM 982 O O . TRP A 1 120 ? 32.398 8.703 -4.040 1.00 34.17 ? 120 TRP A O 1 ATOM 983 C CB . TRP A 1 120 ? 31.954 5.703 -4.706 1.00 37.29 ? 120 TRP A CB 1 ATOM 984 C CG . TRP A 1 120 ? 31.745 5.254 -6.066 1.00 41.19 ? 120 TRP A CG 1 ATOM 985 C CD1 . TRP A 1 120 ? 32.252 5.821 -7.207 1.00 48.43 ? 120 TRP A CD1 1 ATOM 986 C CD2 . TRP A 1 120 ? 30.920 4.160 -6.493 1.00 42.62 ? 120 TRP A CD2 1 ATOM 987 N NE1 . TRP A 1 120 ? 31.802 5.129 -8.329 1.00 49.19 ? 120 TRP A NE1 1 ATOM 988 C CE2 . TRP A 1 120 ? 30.971 4.116 -7.914 1.00 43.13 ? 120 TRP A CE2 1 ATOM 989 C CE3 . TRP A 1 120 ? 30.141 3.222 -5.824 1.00 38.37 ? 120 TRP A CE3 1 ATOM 990 C CZ2 . TRP A 1 120 ? 30.308 3.151 -8.652 1.00 36.79 ? 120 TRP A CZ2 1 ATOM 991 C CZ3 . TRP A 1 120 ? 29.461 2.285 -6.579 1.00 35.04 ? 120 TRP A CZ3 1 ATOM 992 C CH2 . TRP A 1 120 ? 29.564 2.251 -7.972 1.00 34.82 ? 120 TRP A CH2 1 ATOM 993 N N . PRO A 1 121 ? 31.879 7.599 -2.159 1.00 32.35 ? 121 PRO A N 1 ATOM 994 C CA . PRO A 1 121 ? 32.745 8.520 -1.418 1.00 31.48 ? 121 PRO A CA 1 ATOM 995 C C . PRO A 1 121 ? 34.202 8.502 -1.927 1.00 35.64 ? 121 PRO A C 1 ATOM 996 O O . PRO A 1 121 ? 34.716 7.455 -2.357 1.00 34.73 ? 121 PRO A O 1 ATOM 997 C CB . PRO A 1 121 ? 32.645 8.031 0.017 1.00 31.12 ? 121 PRO A CB 1 ATOM 998 C CG . PRO A 1 121 ? 31.589 6.954 0.028 1.00 31.97 ? 121 PRO A CG 1 ATOM 999 C CD . PRO A 1 121 ? 31.466 6.438 -1.354 1.00 30.80 ? 121 PRO A CD 1 ATOM 1000 N N . GLY A 1 122 ? 34.837 9.672 -1.942 1.00 38.33 ? 122 GLY A N 1 ATOM 1001 C CA . GLY A 1 122 ? 36.302 9.757 -2.125 1.00 37.12 ? 122 GLY A CA 1 ATOM 1002 C C . GLY A 1 122 ? 36.942 9.487 -0.768 1.00 37.14 ? 122 GLY A C 1 ATOM 1003 O O . GLY A 1 122 ? 36.220 9.325 0.244 1.00 32.76 ? 122 GLY A O 1 ATOM 1004 N N . TRP A 1 123 ? 38.284 9.476 -0.713 1.00 34.34 ? 123 TRP A N 1 ATOM 1005 C CA . TRP A 1 123 ? 38.984 9.115 0.531 1.00 29.71 ? 123 TRP A CA 1 ATOM 1006 C C . TRP A 1 123 ? 38.853 10.187 1.575 1.00 29.68 ? 123 TRP A C 1 ATOM 1007 O O . TRP A 1 123 ? 38.843 9.904 2.792 1.00 31.52 ? 123 TRP A O 1 ATOM 1008 C CB . TRP A 1 123 ? 40.454 8.753 0.261 1.00 33.46 ? 123 TRP A CB 1 ATOM 1009 C CG . TRP A 1 123 ? 41.285 9.864 -0.358 1.00 33.60 ? 123 TRP A CG 1 ATOM 1010 C CD1 . TRP A 1 123 ? 41.537 10.082 -1.697 1.00 31.74 ? 123 TRP A CD1 1 ATOM 1011 C CD2 . TRP A 1 123 ? 41.932 10.919 0.358 1.00 30.83 ? 123 TRP A CD2 1 ATOM 1012 N NE1 . TRP A 1 123 ? 42.298 11.219 -1.845 1.00 32.81 ? 123 TRP A NE1 1 ATOM 1013 C CE2 . TRP A 1 123 ? 42.571 11.737 -0.598 1.00 32.29 ? 123 TRP A CE2 1 ATOM 1014 C CE3 . TRP A 1 123 ? 42.031 11.254 1.733 1.00 30.37 ? 123 TRP A CE3 1 ATOM 1015 C CZ2 . TRP A 1 123 ? 43.317 12.869 -0.228 1.00 32.48 ? 123 TRP A CZ2 1 ATOM 1016 C CZ3 . TRP A 1 123 ? 42.774 12.378 2.101 1.00 28.90 ? 123 TRP A CZ3 1 ATOM 1017 C CH2 . TRP A 1 123 ? 43.402 13.174 1.118 1.00 30.45 ? 123 TRP A CH2 1 ATOM 1018 N N . ARG A 1 124 ? 38.732 11.438 1.137 1.00 29.92 ? 124 ARG A N 1 ATOM 1019 C CA . ARG A 1 124 ? 38.387 12.518 2.085 1.00 31.21 ? 124 ARG A CA 1 ATOM 1020 C C . ARG A 1 124 ? 36.963 12.313 2.707 1.00 29.55 ? 124 ARG A C 1 ATOM 1021 O O . ARG A 1 124 ? 36.699 12.797 3.812 1.00 24.74 ? 124 ARG A O 1 ATOM 1022 C CB . ARG A 1 124 ? 38.462 13.905 1.411 1.00 34.36 ? 124 ARG A CB 1 ATOM 1023 C CG . ARG A 1 124 ? 39.805 14.251 0.803 1.00 35.83 ? 124 ARG A CG 1 ATOM 1024 C CD . ARG A 1 124 ? 39.916 15.707 0.436 1.00 34.77 ? 124 ARG A CD 1 ATOM 1025 N NE . ARG A 1 124 ? 41.212 15.985 -0.210 1.00 38.44 ? 124 ARG A NE 1 ATOM 1026 C CZ . ARG A 1 124 ? 41.502 15.731 -1.498 1.00 35.41 ? 124 ARG A CZ 1 ATOM 1027 N NH1 . ARG A 1 124 ? 40.633 15.136 -2.312 1.00 32.09 ? 124 ARG A NH1 1 ATOM 1028 N NH2 . ARG A 1 124 ? 42.675 16.075 -1.985 1.00 37.34 ? 124 ARG A NH2 1 ATOM 1029 N N . ASP A 1 125 ? 36.087 11.576 2.011 1.00 27.85 ? 125 ASP A N 1 ATOM 1030 C CA . ASP A 1 125 ? 34.701 11.356 2.471 1.00 28.14 ? 125 ASP A CA 1 ATOM 1031 C C . ASP A 1 125 ? 34.507 10.270 3.494 1.00 28.28 ? 125 ASP A C 1 ATOM 1032 O O . ASP A 1 125 ? 33.586 10.347 4.300 1.00 26.80 ? 125 ASP A O 1 ATOM 1033 C CB . ASP A 1 125 ? 33.806 11.033 1.294 1.00 26.07 ? 125 ASP A CB 1 ATOM 1034 C CG . ASP A 1 125 ? 33.819 12.116 0.252 1.00 25.33 ? 125 ASP A CG 1 ATOM 1035 O OD1 . ASP A 1 125 ? 33.713 13.294 0.657 1.00 23.01 ? 125 ASP A OD1 1 ATOM 1036 O OD2 . ASP A 1 125 ? 33.923 11.791 -0.958 1.00 26.51 ? 125 ASP A OD2 1 ATOM 1037 N N . LYS A 1 126 ? 35.362 9.262 3.448 1.00 29.80 ? 126 LYS A N 1 ATOM 1038 C CA . LYS A 1 126 ? 35.245 8.090 4.331 1.00 32.79 ? 126 LYS A CA 1 ATOM 1039 C C . LYS A 1 126 ? 34.745 8.382 5.713 1.00 32.26 ? 126 LYS A C 1 ATOM 1040 O O . LYS A 1 126 ? 33.758 7.795 6.122 1.00 36.55 ? 126 LYS A O 1 ATOM 1041 C CB . LYS A 1 126 ? 36.593 7.376 4.476 1.00 38.17 ? 126 LYS A CB 1 ATOM 1042 C CG . LYS A 1 126 ? 36.479 5.878 4.735 1.00 41.16 ? 126 LYS A CG 1 ATOM 1043 C CD . LYS A 1 126 ? 37.757 5.275 5.310 1.00 40.99 ? 126 LYS A CD 1 ATOM 1044 C CE . LYS A 1 126 ? 38.335 4.203 4.389 1.00 43.13 ? 126 LYS A CE 1 ATOM 1045 N NZ . LYS A 1 126 ? 38.723 3.002 5.184 1.00 46.04 ? 126 LYS A NZ 1 ATOM 1046 N N . ARG A 1 127 ? 35.401 9.278 6.449 1.00 31.31 ? 127 ARG A N 1 ATOM 1047 C CA . ARG A 1 127 ? 34.971 9.563 7.842 1.00 32.40 ? 127 ARG A CA 1 ATOM 1048 C C . ARG A 1 127 ? 33.542 10.200 7.957 1.00 29.92 ? 127 ARG A C 1 ATOM 1049 O O . ARG A 1 127 ? 32.886 10.064 8.968 1.00 29.27 ? 127 ARG A O 1 ATOM 1050 C CB . ARG A 1 127 ? 36.024 10.436 8.566 1.00 37.65 ? 127 ARG A CB 1 ATOM 1051 C CG . ARG A 1 127 ? 35.810 11.960 8.450 1.00 41.95 ? 127 ARG A CG 1 ATOM 1052 C CD . ARG A 1 127 ? 37.038 12.862 8.313 1.00 45.63 ? 127 ARG A CD 1 ATOM 1053 N NE . ARG A 1 127 ? 38.338 12.180 8.317 1.00 56.54 ? 127 ARG A NE 1 ATOM 1054 C CZ . ARG A 1 127 ? 39.490 12.714 8.752 1.00 64.22 ? 127 ARG A CZ 1 ATOM 1055 N NH1 . ARG A 1 127 ? 39.556 13.967 9.235 1.00 68.32 ? 127 ARG A NH1 1 ATOM 1056 N NH2 . ARG A 1 127 ? 40.603 11.984 8.713 1.00 63.80 ? 127 ARG A NH2 1 ATOM 1057 N N . HIS A 1 128 ? 33.084 10.908 6.929 1.00 29.75 ? 128 HIS A N 1 ATOM 1058 C CA . HIS A 1 128 ? 31.734 11.558 6.909 1.00 29.62 ? 128 HIS A CA 1 ATOM 1059 C C . HIS A 1 128 ? 30.591 10.577 6.630 1.00 28.26 ? 128 HIS A C 1 ATOM 1060 O O . HIS A 1 128 ? 29.514 10.665 7.221 1.00 25.37 ? 128 HIS A O 1 ATOM 1061 C CB . HIS A 1 128 ? 31.698 12.656 5.838 1.00 28.75 ? 128 HIS A CB 1 ATOM 1062 C CG . HIS A 1 128 ? 32.753 13.698 6.032 1.00 29.68 ? 128 HIS A CG 1 ATOM 1063 N ND1 . HIS A 1 128 ? 32.928 14.358 7.233 1.00 31.00 ? 128 HIS A ND1 1 ATOM 1064 C CD2 . HIS A 1 128 ? 33.714 14.166 5.196 1.00 27.36 ? 128 HIS A CD2 1 ATOM 1065 C CE1 . HIS A 1 128 ? 33.955 15.189 7.121 1.00 30.78 ? 128 HIS A CE1 1 ATOM 1066 N NE2 . HIS A 1 128 ? 34.440 15.095 5.893 1.00 26.79 ? 128 HIS A NE2 1 ATOM 1067 N N . LEU A 1 129 ? 30.829 9.659 5.695 1.00 27.88 ? 129 LEU A N 1 ATOM 1068 C CA . LEU A 1 129 ? 29.913 8.563 5.483 1.00 27.07 ? 129 LEU A CA 1 ATOM 1069 C C . LEU A 1 129 ? 29.693 7.896 6.846 1.00 27.43 ? 129 LEU A C 1 ATOM 1070 O O . LEU A 1 129 ? 28.568 7.674 7.260 1.00 31.33 ? 129 LEU A O 1 ATOM 1071 C CB . LEU A 1 129 ? 30.487 7.596 4.441 1.00 26.59 ? 129 LEU A CB 1 ATOM 1072 C CG . LEU A 1 129 ? 29.596 6.519 3.790 1.00 27.08 ? 129 LEU A CG 1 ATOM 1073 C CD1 . LEU A 1 129 ? 30.049 5.098 4.146 1.00 29.14 ? 129 LEU A CD1 1 ATOM 1074 C CD2 . LEU A 1 129 ? 28.119 6.680 4.089 1.00 25.42 ? 129 LEU A CD2 1 ATOM 1075 N N . THR A 1 130 ? 30.767 7.612 7.574 1.00 24.12 ? 130 THR A N 1 ATOM 1076 C CA . THR A 1 130 ? 30.630 6.910 8.841 1.00 22.25 ? 130 THR A CA 1 ATOM 1077 C C . THR A 1 130 ? 29.772 7.682 9.839 1.00 22.33 ? 130 THR A C 1 ATOM 1078 O O . THR A 1 130 ? 28.932 7.091 10.565 1.00 20.45 ? 130 THR A O 1 ATOM 1079 C CB . THR A 1 130 ? 32.009 6.616 9.453 1.00 20.53 ? 130 THR A CB 1 ATOM 1080 O OG1 . THR A 1 130 ? 32.710 5.669 8.592 1.00 21.59 ? 130 THR A OG1 1 ATOM 1081 C CG2 . THR A 1 130 ? 31.858 6.086 10.895 1.00 19.22 ? 130 THR A CG2 1 ATOM 1082 N N . THR A 1 131 ? 30.018 8.991 9.893 1.00 21.62 ? 131 THR A N 1 ATOM 1083 C CA . THR A 1 131 ? 29.193 9.909 10.705 1.00 22.36 ? 131 THR A CA 1 ATOM 1084 C C . THR A 1 131 ? 27.736 9.991 10.169 1.00 20.10 ? 131 THR A C 1 ATOM 1085 O O . THR A 1 131 ? 26.799 9.876 10.921 1.00 20.13 ? 131 THR A O 1 ATOM 1086 C CB . THR A 1 131 ? 29.873 11.284 10.799 1.00 22.97 ? 131 THR A CB 1 ATOM 1087 O OG1 . THR A 1 131 ? 31.192 11.096 11.308 1.00 27.46 ? 131 THR A OG1 1 ATOM 1088 C CG2 . THR A 1 131 ? 29.189 12.181 11.742 1.00 23.29 ? 131 THR A CG2 1 ATOM 1089 N N . LEU A 1 132 ? 27.550 10.104 8.868 1.00 18.77 ? 132 LEU A N 1 ATOM 1090 C CA . LEU A 1 132 ? 26.182 10.158 8.316 1.00 20.08 ? 132 LEU A CA 1 ATOM 1091 C C . LEU A 1 132 ? 25.358 8.987 8.843 1.00 20.96 ? 132 LEU A C 1 ATOM 1092 O O . LEU A 1 132 ? 24.436 9.189 9.582 1.00 21.29 ? 132 LEU A O 1 ATOM 1093 C CB . LEU A 1 132 ? 26.237 10.138 6.790 1.00 18.70 ? 132 LEU A CB 1 ATOM 1094 C CG . LEU A 1 132 ? 24.990 10.016 5.942 1.00 17.46 ? 132 LEU A CG 1 ATOM 1095 C CD1 . LEU A 1 132 ? 24.037 11.146 6.207 1.00 18.57 ? 132 LEU A CD1 1 ATOM 1096 C CD2 . LEU A 1 132 ? 25.392 10.131 4.508 1.00 17.33 ? 132 LEU A CD2 1 ATOM 1097 N N . VAL A 1 133 ? 25.767 7.780 8.475 1.00 22.31 ? 133 VAL A N 1 ATOM 1098 C CA . VAL A 1 133 ? 25.160 6.519 8.891 1.00 25.90 ? 133 VAL A CA 1 ATOM 1099 C C . VAL A 1 133 ? 24.866 6.437 10.398 1.00 30.12 ? 133 VAL A C 1 ATOM 1100 O O . VAL A 1 133 ? 23.791 5.986 10.842 1.00 34.38 ? 133 VAL A O 1 ATOM 1101 C CB . VAL A 1 133 ? 26.103 5.344 8.494 1.00 25.10 ? 133 VAL A CB 1 ATOM 1102 C CG1 . VAL A 1 133 ? 25.689 4.029 9.132 1.00 23.78 ? 133 VAL A CG1 1 ATOM 1103 C CG2 . VAL A 1 133 ? 26.149 5.194 6.968 1.00 26.04 ? 133 VAL A CG2 1 ATOM 1104 N N . LYS A 1 134 ? 25.857 6.825 11.169 1.00 32.13 ? 134 LYS A N 1 ATOM 1105 C CA . LYS A 1 134 ? 25.844 6.699 12.600 1.00 33.59 ? 134 LYS A CA 1 ATOM 1106 C C . LYS A 1 134 ? 24.731 7.587 13.155 1.00 34.64 ? 134 LYS A C 1 ATOM 1107 O O . LYS A 1 134 ? 23.915 7.134 13.977 1.00 34.94 ? 134 LYS A O 1 ATOM 1108 C CB . LYS A 1 134 ? 27.225 7.132 13.068 1.00 40.22 ? 134 LYS A CB 1 ATOM 1109 C CG . LYS A 1 134 ? 27.519 7.178 14.555 1.00 47.01 ? 134 LYS A CG 1 ATOM 1110 C CD . LYS A 1 134 ? 28.970 7.660 14.739 1.00 48.87 ? 134 LYS A CD 1 ATOM 1111 C CE . LYS A 1 134 ? 29.116 8.757 15.790 1.00 50.75 ? 134 LYS A CE 1 ATOM 1112 N NZ . LYS A 1 134 ? 30.101 9.803 15.366 1.00 52.77 ? 134 LYS A NZ 1 ATOM 1113 N N . GLU A 1 135 ? 24.663 8.824 12.661 1.00 32.98 ? 135 GLU A N 1 ATOM 1114 C CA . GLU A 1 135 ? 23.702 9.835 13.147 1.00 32.23 ? 135 GLU A CA 1 ATOM 1115 C C . GLU A 1 135 ? 22.294 9.677 12.499 1.00 32.93 ? 135 GLU A C 1 ATOM 1116 O O . GLU A 1 135 ? 21.274 9.957 13.130 1.00 28.51 ? 135 GLU A O 1 ATOM 1117 C CB . GLU A 1 135 ? 24.231 11.238 12.865 1.00 33.23 ? 135 GLU A CB 1 ATOM 1118 C CG . GLU A 1 135 ? 25.434 11.652 13.705 1.00 35.93 ? 135 GLU A CG 1 ATOM 1119 C CD . GLU A 1 135 ? 25.958 13.068 13.400 1.00 39.41 ? 135 GLU A CD 1 ATOM 1120 O OE1 . GLU A 1 135 ? 25.818 13.588 12.250 1.00 36.45 ? 135 GLU A OE1 1 ATOM 1121 O OE2 . GLU A 1 135 ? 26.552 13.679 14.337 1.00 43.30 ? 135 GLU A OE2 1 ATOM 1122 N N . MET A 1 136 ? 22.264 9.246 11.238 1.00 29.98 ? 136 MET A N 1 ATOM 1123 C CA . MET A 1 136 ? 21.053 8.820 10.561 1.00 29.99 ? 136 MET A CA 1 ATOM 1124 C C . MET A 1 136 ? 20.331 7.693 11.344 1.00 29.73 ? 136 MET A C 1 ATOM 1125 O O . MET A 1 136 ? 19.125 7.732 11.590 1.00 24.41 ? 136 MET A O 1 ATOM 1126 C CB . MET A 1 136 ? 21.433 8.318 9.164 1.00 30.55 ? 136 MET A CB 1 ATOM 1127 C CG . MET A 1 136 ? 20.259 7.935 8.290 1.00 31.73 ? 136 MET A CG 1 ATOM 1128 S SD . MET A 1 136 ? 19.078 9.268 7.958 1.00 35.71 ? 136 MET A SD 1 ATOM 1129 C CE . MET A 1 136 ? 19.988 10.246 6.773 1.00 30.35 ? 136 MET A CE 1 ATOM 1130 N N . LYS A 1 137 ? 21.101 6.707 11.767 1.00 31.67 ? 137 LYS A N 1 ATOM 1131 C CA . LYS A 1 137 ? 20.544 5.648 12.604 1.00 34.86 ? 137 LYS A CA 1 ATOM 1132 C C . LYS A 1 137 ? 20.052 6.187 13.926 1.00 33.92 ? 137 LYS A C 1 ATOM 1133 O O . LYS A 1 137 ? 18.954 5.842 14.348 1.00 40.21 ? 137 LYS A O 1 ATOM 1134 C CB . LYS A 1 137 ? 21.568 4.531 12.880 1.00 36.47 ? 137 LYS A CB 1 ATOM 1135 C CG . LYS A 1 137 ? 21.025 3.343 13.677 1.00 36.96 ? 137 LYS A CG 1 ATOM 1136 C CD . LYS A 1 137 ? 19.843 2.684 12.961 1.00 41.35 ? 137 LYS A CD 1 ATOM 1137 C CE . LYS A 1 137 ? 19.386 1.434 13.691 1.00 42.70 ? 137 LYS A CE 1 ATOM 1138 N NZ . LYS A 1 137 ? 20.224 0.276 13.300 1.00 41.00 ? 137 LYS A NZ 1 ATOM 1139 N N . ALA A 1 138 ? 20.863 6.987 14.611 1.00 28.49 ? 138 ALA A N 1 ATOM 1140 C CA . ALA A 1 138 ? 20.430 7.492 15.901 1.00 27.52 ? 138 ALA A CA 1 ATOM 1141 C C . ALA A 1 138 ? 19.100 8.218 15.763 1.00 27.69 ? 138 ALA A C 1 ATOM 1142 O O . ALA A 1 138 ? 18.250 8.068 16.629 1.00 29.34 ? 138 ALA A O 1 ATOM 1143 C CB . ALA A 1 138 ? 21.470 8.404 16.553 1.00 24.87 ? 138 ALA A CB 1 ATOM 1144 N N . GLU A 1 139 ? 18.947 9.001 14.688 1.00 26.93 ? 139 GLU A N 1 ATOM 1145 C CA . GLU A 1 139 ? 17.680 9.625 14.349 1.00 28.71 ? 139 GLU A CA 1 ATOM 1146 C C . GLU A 1 139 ? 16.499 8.634 14.139 1.00 26.77 ? 139 GLU A C 1 ATOM 1147 O O . GLU A 1 139 ? 15.410 8.897 14.632 1.00 26.37 ? 139 GLU A O 1 ATOM 1148 C CB . GLU A 1 139 ? 17.843 10.497 13.107 1.00 31.36 ? 139 GLU A CB 1 ATOM 1149 C CG . GLU A 1 139 ? 16.546 11.195 12.665 1.00 35.19 ? 139 GLU A CG 1 ATOM 1150 C CD . GLU A 1 139 ? 16.076 12.352 13.557 1.00 39.31 ? 139 GLU A CD 1 ATOM 1151 O OE1 . GLU A 1 139 ? 16.846 12.863 14.428 1.00 43.28 ? 139 GLU A OE1 1 ATOM 1152 O OE2 . GLU A 1 139 ? 14.901 12.768 13.365 1.00 44.27 ? 139 GLU A OE2 1 ATOM 1153 N N . PHE A 1 140 ? 16.696 7.559 13.363 1.00 21.84 ? 140 PHE A N 1 ATOM 1154 C CA . PHE A 1 140 ? 15.702 6.533 13.241 1.00 19.50 ? 140 PHE A CA 1 ATOM 1155 C C . PHE A 1 140 ? 15.404 5.943 14.637 1.00 23.86 ? 140 PHE A C 1 ATOM 1156 O O . PHE A 1 140 ? 14.226 5.583 14.924 1.00 24.36 ? 140 PHE A O 1 ATOM 1157 C CB . PHE A 1 140 ? 16.147 5.461 12.305 1.00 17.89 ? 140 PHE A CB 1 ATOM 1158 C CG . PHE A 1 140 ? 16.174 5.868 10.850 1.00 16.71 ? 140 PHE A CG 1 ATOM 1159 C CD1 . PHE A 1 140 ? 16.089 7.183 10.447 1.00 15.24 ? 140 PHE A CD1 1 ATOM 1160 C CD2 . PHE A 1 140 ? 16.394 4.911 9.877 1.00 16.27 ? 140 PHE A CD2 1 ATOM 1161 C CE1 . PHE A 1 140 ? 16.177 7.526 9.117 1.00 14.43 ? 140 PHE A CE1 1 ATOM 1162 C CE2 . PHE A 1 140 ? 16.438 5.253 8.540 1.00 15.22 ? 140 PHE A CE2 1 ATOM 1163 C CZ . PHE A 1 140 ? 16.316 6.563 8.168 1.00 14.82 ? 140 PHE A CZ 1 ATOM 1164 N N . VAL A 1 141 ? 16.409 5.885 15.527 1.00 24.79 ? 141 VAL A N 1 ATOM 1165 C CA . VAL A 1 141 ? 16.182 5.374 16.899 1.00 27.35 ? 141 VAL A CA 1 ATOM 1166 C C . VAL A 1 141 ? 15.292 6.303 17.695 1.00 28.22 ? 141 VAL A C 1 ATOM 1167 O O . VAL A 1 141 ? 14.370 5.870 18.373 1.00 26.32 ? 141 VAL A O 1 ATOM 1168 C CB . VAL A 1 141 ? 17.496 5.089 17.708 1.00 27.54 ? 141 VAL A CB 1 ATOM 1169 C CG1 . VAL A 1 141 ? 17.208 4.934 19.221 1.00 25.53 ? 141 VAL A CG1 1 ATOM 1170 C CG2 . VAL A 1 141 ? 18.174 3.805 17.184 1.00 27.45 ? 141 VAL A CG2 1 ATOM 1171 N N . ARG A 1 142 ? 15.572 7.584 17.577 1.00 34.30 ? 142 ARG A N 1 ATOM 1172 C CA . ARG A 1 142 ? 14.793 8.632 18.238 1.00 39.47 ? 142 ARG A CA 1 ATOM 1173 C C . ARG A 1 142 ? 13.329 8.697 17.782 1.00 38.07 ? 142 ARG A C 1 ATOM 1174 O O . ARG A 1 142 ? 12.418 8.895 18.590 1.00 39.23 ? 142 ARG A O 1 ATOM 1175 C CB . ARG A 1 142 ? 15.428 9.979 17.935 1.00 44.67 ? 142 ARG A CB 1 ATOM 1176 C CG . ARG A 1 142 ? 16.373 10.518 18.987 1.00 49.57 ? 142 ARG A CG 1 ATOM 1177 C CD . ARG A 1 142 ? 15.825 11.869 19.410 1.00 55.89 ? 142 ARG A CD 1 ATOM 1178 N NE . ARG A 1 142 ? 16.865 12.879 19.545 1.00 60.24 ? 142 ARG A NE 1 ATOM 1179 C CZ . ARG A 1 142 ? 17.305 13.343 20.706 1.00 70.55 ? 142 ARG A CZ 1 ATOM 1180 N NH1 . ARG A 1 142 ? 16.798 12.879 21.845 1.00 77.05 ? 142 ARG A NH1 1 ATOM 1181 N NH2 . ARG A 1 142 ? 18.265 14.263 20.732 1.00 73.33 ? 142 ARG A NH2 1 ATOM 1182 N N . GLU A 1 143 ? 13.130 8.577 16.477 1.00 34.40 ? 143 GLU A N 1 ATOM 1183 C CA . GLU A 1 143 ? 11.802 8.584 15.899 1.00 34.73 ? 143 GLU A CA 1 ATOM 1184 C C . GLU A 1 143 ? 10.902 7.410 16.375 1.00 32.55 ? 143 GLU A C 1 ATOM 1185 O O . GLU A 1 143 ? 9.759 7.608 16.670 1.00 30.33 ? 143 GLU A O 1 ATOM 1186 C CB . GLU A 1 143 ? 11.899 8.642 14.381 1.00 36.06 ? 143 GLU A CB 1 ATOM 1187 C CG . GLU A 1 143 ? 10.546 8.820 13.680 1.00 38.24 ? 143 GLU A CG 1 ATOM 1188 C CD . GLU A 1 143 ? 9.907 7.510 13.224 1.00 37.86 ? 143 GLU A CD 1 ATOM 1189 O OE1 . GLU A 1 143 ? 10.242 6.418 13.773 1.00 36.79 ? 143 GLU A OE1 1 ATOM 1190 O OE2 . GLU A 1 143 ? 9.070 7.578 12.288 1.00 37.83 ? 143 GLU A OE2 1 ATOM 1191 N N . ALA A 1 144 ? 11.449 6.213 16.486 1.00 32.67 ? 144 ALA A N 1 ATOM 1192 C CA . ALA A 1 144 ? 10.721 5.031 16.916 1.00 30.34 ? 144 ALA A CA 1 ATOM 1193 C C . ALA A 1 144 ? 10.002 5.202 18.252 1.00 33.96 ? 144 ALA A C 1 ATOM 1194 O O . ALA A 1 144 ? 8.980 4.513 18.462 1.00 34.92 ? 144 ALA A O 1 ATOM 1195 C CB . ALA A 1 144 ? 11.669 3.834 17.006 1.00 29.70 ? 144 ALA A CB 1 ATOM 1196 N N . GLN A 1 145 ? 10.484 6.103 19.129 1.00 31.25 ? 145 GLN A N 1 ATOM 1197 C CA . GLN A 1 145 ? 9.824 6.347 20.415 1.00 31.28 ? 145 GLN A CA 1 ATOM 1198 C C . GLN A 1 145 ? 8.395 6.856 20.234 1.00 32.97 ? 145 GLN A C 1 ATOM 1199 O O . GLN A 1 145 ? 7.614 6.825 21.206 1.00 33.66 ? 145 GLN A O 1 ATOM 1200 C CB . GLN A 1 145 ? 10.523 7.400 21.257 1.00 31.77 ? 145 GLN A CB 1 ATOM 1201 C CG . GLN A 1 145 ? 11.970 7.157 21.607 1.00 33.53 ? 145 GLN A CG 1 ATOM 1202 C CD . GLN A 1 145 ? 12.753 8.465 21.804 1.00 35.54 ? 145 GLN A CD 1 ATOM 1203 O OE1 . GLN A 1 145 ? 12.354 9.567 21.346 1.00 31.15 ? 145 GLN A OE1 1 ATOM 1204 N NE2 . GLN A 1 145 ? 13.901 8.342 22.459 1.00 37.03 ? 145 GLN A NE2 1 ATOM 1205 N N . ALA A 1 146 ? 8.102 7.364 19.021 1.00 31.81 ? 146 ALA A N 1 ATOM 1206 C CA . ALA A 1 146 ? 6.776 7.916 18.596 1.00 32.38 ? 146 ALA A CA 1 ATOM 1207 C C . ALA A 1 146 ? 5.691 6.887 18.281 1.00 31.77 ? 146 ALA A C 1 ATOM 1208 O O . ALA A 1 146 ? 4.521 7.261 17.957 1.00 29.33 ? 146 ALA A O 1 ATOM 1209 C CB . ALA A 1 146 ? 6.934 8.846 17.389 1.00 29.47 ? 146 ALA A CB 1 ATOM 1210 N N . GLY A 1 147 ? 6.078 5.611 18.363 1.00 31.07 ? 147 GLY A N 1 ATOM 1211 C CA . GLY A 1 147 ? 5.141 4.504 18.344 1.00 28.26 ? 147 GLY A CA 1 ATOM 1212 C C . GLY A 1 147 ? 5.250 3.701 17.077 1.00 30.20 ? 147 GLY A C 1 ATOM 1213 O O . GLY A 1 147 ? 5.005 2.471 17.057 1.00 35.23 ? 147 GLY A O 1 ATOM 1214 N N . THR A 1 148 ? 5.568 4.362 15.982 1.00 28.86 ? 148 THR A N 1 ATOM 1215 C CA . THR A 1 148 ? 5.690 3.611 14.758 1.00 33.01 ? 148 THR A CA 1 ATOM 1216 C C . THR A 1 148 ? 6.987 2.818 14.751 1.00 34.59 ? 148 THR A C 1 ATOM 1217 O O . THR A 1 148 ? 8.019 3.226 15.280 1.00 36.16 ? 148 THR A O 1 ATOM 1218 C CB . THR A 1 148 ? 5.519 4.470 13.486 1.00 34.25 ? 148 THR A CB 1 ATOM 1219 O OG1 . THR A 1 148 ? 4.411 5.362 13.676 1.00 35.26 ? 148 THR A OG1 1 ATOM 1220 C CG2 . THR A 1 148 ? 5.258 3.550 12.262 1.00 32.85 ? 148 THR A CG2 1 ATOM 1221 N N . GLU A 1 149 ? 6.898 1.658 14.146 1.00 40.09 ? 149 GLU A N 1 ATOM 1222 C CA . GLU A 1 149 ? 8.000 0.741 14.062 1.00 42.33 ? 149 GLU A CA 1 ATOM 1223 C C . GLU A 1 149 ? 9.225 1.338 13.318 1.00 39.30 ? 149 GLU A C 1 ATOM 1224 O O . GLU A 1 149 ? 9.104 1.909 12.217 1.00 39.12 ? 149 GLU A O 1 ATOM 1225 C CB . GLU A 1 149 ? 7.476 -0.554 13.446 1.00 48.00 ? 149 GLU A CB 1 ATOM 1226 C CG . GLU A 1 149 ? 8.227 -1.085 12.263 1.00 56.44 ? 149 GLU A CG 1 ATOM 1227 C CD . GLU A 1 149 ? 8.551 -2.543 12.460 1.00 66.39 ? 149 GLU A CD 1 ATOM 1228 O OE1 . GLU A 1 149 ? 9.755 -2.871 12.597 1.00 65.44 ? 149 GLU A OE1 1 ATOM 1229 O OE2 . GLU A 1 149 ? 7.582 -3.344 12.511 1.00 71.39 ? 149 GLU A OE2 1 ATOM 1230 N N . GLN A 1 150 ? 10.389 1.177 13.953 1.00 33.31 ? 150 GLN A N 1 ATOM 1231 C CA . GLN A 1 150 ? 11.660 1.699 13.483 1.00 32.20 ? 150 GLN A CA 1 ATOM 1232 C C . GLN A 1 150 ? 11.953 1.622 11.973 1.00 30.58 ? 150 GLN A C 1 ATOM 1233 O O . GLN A 1 150 ? 11.951 0.571 11.325 1.00 35.49 ? 150 GLN A O 1 ATOM 1234 C CB . GLN A 1 150 ? 12.825 1.071 14.254 1.00 30.55 ? 150 GLN A CB 1 ATOM 1235 C CG . GLN A 1 150 ? 14.114 1.831 14.010 1.00 31.44 ? 150 GLN A CG 1 ATOM 1236 C CD . GLN A 1 150 ? 15.223 1.469 14.986 1.00 32.98 ? 150 GLN A CD 1 ATOM 1237 O OE1 . GLN A 1 150 ? 16.194 0.801 14.616 1.00 32.30 ? 150 GLN A OE1 1 ATOM 1238 N NE2 . GLN A 1 150 ? 15.105 1.933 16.227 1.00 33.98 ? 150 GLN A NE2 1 ATOM 1239 N N . LEU A 1 151 ? 12.248 2.775 11.429 1.00 28.29 ? 151 LEU A N 1 ATOM 1240 C CA . LEU A 1 151 ? 12.646 2.875 10.044 1.00 28.25 ? 151 LEU A CA 1 ATOM 1241 C C . LEU A 1 151 ? 13.918 2.070 9.781 1.00 25.09 ? 151 LEU A C 1 ATOM 1242 O O . LEU A 1 151 ? 14.847 2.134 10.564 1.00 24.80 ? 151 LEU A O 1 ATOM 1243 C CB . LEU A 1 151 ? 12.888 4.346 9.750 1.00 30.15 ? 151 LEU A CB 1 ATOM 1244 C CG . LEU A 1 151 ? 11.648 5.244 9.794 1.00 32.51 ? 151 LEU A CG 1 ATOM 1245 C CD1 . LEU A 1 151 ? 12.062 6.718 9.767 1.00 34.19 ? 151 LEU A CD1 1 ATOM 1246 C CD2 . LEU A 1 151 ? 10.753 4.926 8.607 1.00 33.78 ? 151 LEU A CD2 1 ATOM 1247 N N . LEU A 1 152 ? 13.948 1.320 8.688 1.00 23.07 ? 152 LEU A N 1 ATOM 1248 C CA . LEU A 1 152 ? 15.121 0.561 8.298 1.00 22.17 ? 152 LEU A CA 1 ATOM 1249 C C . LEU A 1 152 ? 16.162 1.426 7.636 1.00 21.66 ? 152 LEU A C 1 ATOM 1250 O O . LEU A 1 152 ? 15.801 2.379 6.941 1.00 25.73 ? 152 LEU A O 1 ATOM 1251 C CB . LEU A 1 152 ? 14.746 -0.487 7.272 1.00 23.03 ? 152 LEU A CB 1 ATOM 1252 C CG . LEU A 1 152 ? 13.787 -1.599 7.670 1.00 24.12 ? 152 LEU A CG 1 ATOM 1253 C CD1 . LEU A 1 152 ? 13.475 -2.400 6.399 1.00 24.39 ? 152 LEU A CD1 1 ATOM 1254 C CD2 . LEU A 1 152 ? 14.307 -2.452 8.848 1.00 22.38 ? 152 LEU A CD2 1 ATOM 1255 N N . LEU A 1 153 ? 17.446 1.120 7.834 1.00 19.83 ? 153 LEU A N 1 ATOM 1256 C CA . LEU A 1 153 ? 18.525 1.857 7.130 1.00 19.24 ? 153 LEU A CA 1 ATOM 1257 C C . LEU A 1 153 ? 19.482 0.889 6.429 1.00 18.69 ? 153 LEU A C 1 ATOM 1258 O O . LEU A 1 153 ? 20.074 0.024 7.065 1.00 19.71 ? 153 LEU A O 1 ATOM 1259 C CB . LEU A 1 153 ? 19.284 2.705 8.123 1.00 19.10 ? 153 LEU A CB 1 ATOM 1260 C CG . LEU A 1 153 ? 20.481 3.505 7.582 1.00 19.52 ? 153 LEU A CG 1 ATOM 1261 C CD1 . LEU A 1 153 ? 20.097 4.576 6.565 1.00 18.54 ? 153 LEU A CD1 1 ATOM 1262 C CD2 . LEU A 1 153 ? 21.187 4.160 8.758 1.00 19.64 ? 153 LEU A CD2 1 ATOM 1263 N N . SER A 1 154 ? 19.645 1.035 5.131 1.00 17.12 ? 154 SER A N 1 ATOM 1264 C CA . SER A 1 154 ? 20.534 0.187 4.410 1.00 17.35 ? 154 SER A CA 1 ATOM 1265 C C . SER A 1 154 ? 21.488 1.048 3.595 1.00 17.34 ? 154 SER A C 1 ATOM 1266 O O . SER A 1 154 ? 21.267 2.218 3.546 1.00 18.85 ? 154 SER A O 1 ATOM 1267 C CB . SER A 1 154 ? 19.694 -0.663 3.471 1.00 18.46 ? 154 SER A CB 1 ATOM 1268 O OG . SER A 1 154 ? 18.825 0.138 2.707 1.00 17.28 ? 154 SER A OG 1 ATOM 1269 N N . ALA A 1 155 ? 22.527 0.456 2.971 1.00 16.60 ? 155 ALA A N 1 ATOM 1270 C CA . ALA A 1 155 ? 23.446 1.159 2.072 1.00 16.02 ? 155 ALA A CA 1 ATOM 1271 C C . ALA A 1 155 ? 23.895 0.243 0.965 1.00 17.04 ? 155 ALA A C 1 ATOM 1272 O O . ALA A 1 155 ? 24.002 -0.967 1.178 1.00 15.67 ? 155 ALA A O 1 ATOM 1273 C CB . ALA A 1 155 ? 24.648 1.645 2.808 1.00 15.16 ? 155 ALA A CB 1 ATOM 1274 N N . ALA A 1 156 ? 24.163 0.837 -0.204 1.00 17.84 ? 156 ALA A N 1 ATOM 1275 C CA . ALA A 1 156 ? 24.598 0.128 -1.395 1.00 19.62 ? 156 ALA A CA 1 ATOM 1276 C C . ALA A 1 156 ? 26.111 0.368 -1.522 1.00 22.70 ? 156 ALA A C 1 ATOM 1277 O O . ALA A 1 156 ? 26.568 1.512 -1.521 1.00 26.07 ? 156 ALA A O 1 ATOM 1278 C CB . ALA A 1 156 ? 23.868 0.668 -2.614 1.00 19.97 ? 156 ALA A CB 1 ATOM 1279 N N . VAL A 1 157 ? 26.872 -0.711 -1.613 1.00 22.76 ? 157 VAL A N 1 ATOM 1280 C CA . VAL A 1 157 ? 28.318 -0.667 -1.532 1.00 24.13 ? 157 VAL A CA 1 ATOM 1281 C C . VAL A 1 157 ? 28.995 -1.270 -2.770 1.00 24.25 ? 157 VAL A C 1 ATOM 1282 O O . VAL A 1 157 ? 28.631 -2.285 -3.322 1.00 19.83 ? 157 VAL A O 1 ATOM 1283 C CB . VAL A 1 157 ? 28.812 -1.336 -0.236 1.00 24.58 ? 157 VAL A CB 1 ATOM 1284 C CG1 . VAL A 1 157 ? 30.339 -1.324 -0.138 1.00 23.79 ? 157 VAL A CG1 1 ATOM 1285 C CG2 . VAL A 1 157 ? 28.203 -0.621 0.959 1.00 24.34 ? 157 VAL A CG2 1 ATOM 1286 N N . THR A 1 158 ? 30.019 -0.596 -3.220 1.00 28.15 ? 158 THR A N 1 ATOM 1287 C CA . THR A 1 158 ? 30.672 -1.091 -4.397 1.00 30.10 ? 158 THR A CA 1 ATOM 1288 C C . THR A 1 158 ? 31.436 -2.376 -4.036 1.00 26.28 ? 158 THR A C 1 ATOM 1289 O O . THR A 1 158 ? 31.916 -2.537 -2.933 1.00 23.78 ? 158 THR A O 1 ATOM 1290 C CB . THR A 1 158 ? 31.585 -0.045 -5.003 1.00 35.78 ? 158 THR A CB 1 ATOM 1291 O OG1 . THR A 1 158 ? 32.864 -0.647 -5.257 1.00 56.76 ? 158 THR A OG1 1 ATOM 1292 C CG2 . THR A 1 158 ? 31.805 1.116 -4.061 1.00 41.10 ? 158 THR A CG2 1 ATOM 1293 N N . ALA A 1 159 ? 31.560 -3.282 -4.978 1.00 26.50 ? 159 ALA A N 1 ATOM 1294 C CA . ALA A 1 159 ? 32.245 -4.574 -4.727 1.00 28.04 ? 159 ALA A CA 1 ATOM 1295 C C . ALA A 1 159 ? 33.771 -4.619 -5.123 1.00 28.34 ? 159 ALA A C 1 ATOM 1296 O O . ALA A 1 159 ? 34.435 -5.664 -4.951 1.00 29.81 ? 159 ALA A O 1 ATOM 1297 C CB . ALA A 1 159 ? 31.472 -5.698 -5.413 1.00 25.12 ? 159 ALA A CB 1 ATOM 1298 N N . GLY A 1 160 ? 34.295 -3.507 -5.650 1.00 26.95 ? 160 GLY A N 1 ATOM 1299 C CA . GLY A 1 160 ? 35.711 -3.395 -6.042 1.00 25.22 ? 160 GLY A CA 1 ATOM 1300 C C . GLY A 1 160 ? 36.529 -2.961 -4.849 1.00 25.45 ? 160 GLY A C 1 ATOM 1301 O O . GLY A 1 160 ? 36.199 -1.956 -4.184 1.00 26.80 ? 160 GLY A O 1 ATOM 1302 N N . LYS A 1 161 ? 37.566 -3.748 -4.551 1.00 24.06 ? 161 LYS A N 1 ATOM 1303 C CA . LYS A 1 161 ? 38.513 -3.494 -3.465 1.00 24.85 ? 161 LYS A CA 1 ATOM 1304 C C . LYS A 1 161 ? 38.998 -2.038 -3.369 1.00 23.97 ? 161 LYS A C 1 ATOM 1305 O O . LYS A 1 161 ? 39.056 -1.421 -2.286 1.00 23.92 ? 161 LYS A O 1 ATOM 1306 C CB . LYS A 1 161 ? 39.721 -4.435 -3.662 1.00 26.89 ? 161 LYS A CB 1 ATOM 1307 C CG . LYS A 1 161 ? 40.669 -4.500 -2.490 1.00 28.29 ? 161 LYS A CG 1 ATOM 1308 C CD . LYS A 1 161 ? 41.799 -5.486 -2.826 1.00 32.04 ? 161 LYS A CD 1 ATOM 1309 C CE . LYS A 1 161 ? 42.647 -5.860 -1.599 1.00 33.40 ? 161 LYS A CE 1 ATOM 1310 N NZ . LYS A 1 161 ? 42.997 -4.687 -0.724 1.00 34.76 ? 161 LYS A NZ 1 ATOM 1311 N N . ILE A 1 162 ? 39.378 -1.484 -4.501 1.00 24.58 ? 162 ILE A N 1 ATOM 1312 C CA . ILE A 1 162 ? 39.922 -0.146 -4.490 1.00 28.36 ? 162 ILE A CA 1 ATOM 1313 C C . ILE A 1 162 ? 38.847 0.802 -3.947 1.00 28.36 ? 162 ILE A C 1 ATOM 1314 O O . ILE A 1 162 ? 39.087 1.525 -2.946 1.00 30.33 ? 162 ILE A O 1 ATOM 1315 C CB . ILE A 1 162 ? 40.462 0.225 -5.878 1.00 31.19 ? 162 ILE A CB 1 ATOM 1316 C CG1 . ILE A 1 162 ? 41.804 -0.534 -6.084 1.00 34.00 ? 162 ILE A CG1 1 ATOM 1317 C CG2 . ILE A 1 162 ? 40.696 1.732 -6.006 1.00 31.72 ? 162 ILE A CG2 1 ATOM 1318 C CD1 . ILE A 1 162 ? 42.156 -0.759 -7.557 1.00 34.04 ? 162 ILE A CD1 1 ATOM 1319 N N . ALA A 1 163 ? 37.648 0.735 -4.540 1.00 25.45 ? 163 ALA A N 1 ATOM 1320 C CA . ALA A 1 163 ? 36.563 1.653 -4.149 1.00 24.59 ? 163 ALA A CA 1 ATOM 1321 C C . ALA A 1 163 ? 36.144 1.439 -2.705 1.00 24.51 ? 163 ALA A C 1 ATOM 1322 O O . ALA A 1 163 ? 35.713 2.375 -2.040 1.00 23.75 ? 163 ALA A O 1 ATOM 1323 C CB . ALA A 1 163 ? 35.362 1.510 -5.090 1.00 23.75 ? 163 ALA A CB 1 ATOM 1324 N N . ILE A 1 164 ? 36.270 0.201 -2.228 1.00 27.09 ? 164 ILE A N 1 ATOM 1325 C CA . ILE A 1 164 ? 35.940 -0.136 -0.818 1.00 30.25 ? 164 ILE A CA 1 ATOM 1326 C C . ILE A 1 164 ? 36.916 0.468 0.194 1.00 30.25 ? 164 ILE A C 1 ATOM 1327 O O . ILE A 1 164 ? 36.515 1.083 1.181 1.00 29.55 ? 164 ILE A O 1 ATOM 1328 C CB . ILE A 1 164 ? 35.868 -1.664 -0.603 1.00 29.14 ? 164 ILE A CB 1 ATOM 1329 C CG1 . ILE A 1 164 ? 34.575 -2.236 -1.195 1.00 28.66 ? 164 ILE A CG1 1 ATOM 1330 C CG2 . ILE A 1 164 ? 35.863 -1.985 0.868 1.00 29.62 ? 164 ILE A CG2 1 ATOM 1331 C CD1 . ILE A 1 164 ? 34.589 -3.745 -1.394 1.00 28.99 ? 164 ILE A CD1 1 ATOM 1332 N N . ASP A 1 165 ? 38.203 0.275 -0.057 1.00 34.16 ? 165 ASP A N 1 ATOM 1333 C CA . ASP A 1 165 ? 39.244 0.818 0.807 1.00 33.11 ? 165 ASP A CA 1 ATOM 1334 C C . ASP A 1 165 ? 39.191 2.321 0.765 1.00 31.39 ? 165 ASP A C 1 ATOM 1335 O O . ASP A 1 165 ? 39.368 2.997 1.767 1.00 29.55 ? 165 ASP A O 1 ATOM 1336 C CB . ASP A 1 165 ? 40.622 0.405 0.314 1.00 34.27 ? 165 ASP A CB 1 ATOM 1337 C CG . ASP A 1 165 ? 40.849 -1.070 0.397 1.00 35.87 ? 165 ASP A CG 1 ATOM 1338 O OD1 . ASP A 1 165 ? 40.246 -1.758 1.276 1.00 34.91 ? 165 ASP A OD1 1 ATOM 1339 O OD2 . ASP A 1 165 ? 41.643 -1.533 -0.443 1.00 38.73 ? 165 ASP A OD2 1 ATOM 1340 N N . ARG A 1 166 ? 38.936 2.851 -0.416 1.00 31.95 ? 166 ARG A N 1 ATOM 1341 C CA . ARG A 1 166 ? 38.965 4.301 -0.576 1.00 31.46 ? 166 ARG A CA 1 ATOM 1342 C C . ARG A 1 166 ? 37.877 5.021 0.241 1.00 30.99 ? 166 ARG A C 1 ATOM 1343 O O . ARG A 1 166 ? 38.182 6.028 0.887 1.00 33.28 ? 166 ARG A O 1 ATOM 1344 C CB . ARG A 1 166 ? 38.832 4.625 -2.051 1.00 31.70 ? 166 ARG A CB 1 ATOM 1345 C CG . ARG A 1 166 ? 39.053 6.087 -2.355 1.00 35.29 ? 166 ARG A CG 1 ATOM 1346 C CD . ARG A 1 166 ? 38.407 6.481 -3.668 1.00 36.03 ? 166 ARG A CD 1 ATOM 1347 N NE . ARG A 1 166 ? 39.030 5.835 -4.827 1.00 36.61 ? 166 ARG A NE 1 ATOM 1348 C CZ . ARG A 1 166 ? 38.394 5.082 -5.734 1.00 42.41 ? 166 ARG A CZ 1 ATOM 1349 N NH1 . ARG A 1 166 ? 37.067 4.827 -5.676 1.00 41.92 ? 166 ARG A NH1 1 ATOM 1350 N NH2 . ARG A 1 166 ? 39.097 4.584 -6.732 1.00 45.39 ? 166 ARG A NH2 1 ATOM 1351 N N . GLY A 1 167 ? 36.642 4.490 0.247 1.00 26.99 ? 167 GLY A N 1 ATOM 1352 C CA . GLY A 1 167 ? 35.468 5.223 0.770 1.00 28.75 ? 167 GLY A CA 1 ATOM 1353 C C . GLY A 1 167 ? 34.706 4.723 2.014 1.00 28.79 ? 167 GLY A C 1 ATOM 1354 O O . GLY A 1 167 ? 33.916 5.474 2.607 1.00 30.12 ? 167 GLY A O 1 ATOM 1355 N N . TYR A 1 168 ? 34.931 3.487 2.443 1.00 26.18 ? 168 TYR A N 1 ATOM 1356 C CA . TYR A 1 168 ? 34.076 2.904 3.456 1.00 24.55 ? 168 TYR A CA 1 ATOM 1357 C C . TYR A 1 168 ? 34.812 2.331 4.673 1.00 24.56 ? 168 TYR A C 1 ATOM 1358 O O . TYR A 1 168 ? 35.830 1.681 4.589 1.00 26.31 ? 168 TYR A O 1 ATOM 1359 C CB . TYR A 1 168 ? 33.179 1.846 2.812 1.00 23.16 ? 168 TYR A CB 1 ATOM 1360 C CG . TYR A 1 168 ? 32.409 2.306 1.572 1.00 20.76 ? 168 TYR A CG 1 ATOM 1361 C CD1 . TYR A 1 168 ? 31.042 2.669 1.645 1.00 21.20 ? 168 TYR A CD1 1 ATOM 1362 C CD2 . TYR A 1 168 ? 33.035 2.373 0.338 1.00 20.56 ? 168 TYR A CD2 1 ATOM 1363 C CE1 . TYR A 1 168 ? 30.334 3.086 0.506 1.00 20.19 ? 168 TYR A CE1 1 ATOM 1364 C CE2 . TYR A 1 168 ? 32.347 2.744 -0.822 1.00 20.27 ? 168 TYR A CE2 1 ATOM 1365 C CZ . TYR A 1 168 ? 31.003 3.109 -0.757 1.00 19.68 ? 168 TYR A CZ 1 ATOM 1366 O OH . TYR A 1 168 ? 30.365 3.496 -1.928 1.00 18.79 ? 168 TYR A OH 1 ATOM 1367 N N . ASP A 1 169 ? 34.275 2.586 5.833 1.00 25.50 ? 169 ASP A N 1 ATOM 1368 C CA . ASP A 1 169 ? 34.806 1.987 7.015 1.00 24.42 ? 169 ASP A CA 1 ATOM 1369 C C . ASP A 1 169 ? 33.764 0.971 7.345 1.00 24.25 ? 169 ASP A C 1 ATOM 1370 O O . ASP A 1 169 ? 32.804 1.282 8.039 1.00 23.00 ? 169 ASP A O 1 ATOM 1371 C CB . ASP A 1 169 ? 34.921 3.037 8.081 1.00 25.48 ? 169 ASP A CB 1 ATOM 1372 C CG . ASP A 1 169 ? 35.613 2.569 9.289 1.00 26.72 ? 169 ASP A CG 1 ATOM 1373 O OD1 . ASP A 1 169 ? 35.870 1.357 9.475 1.00 29.63 ? 169 ASP A OD1 1 ATOM 1374 O OD2 . ASP A 1 169 ? 35.911 3.467 10.086 1.00 30.79 ? 169 ASP A OD2 1 ATOM 1375 N N . ILE A 1 170 ? 33.955 -0.236 6.802 1.00 23.67 ? 170 ILE A N 1 ATOM 1376 C CA . ILE A 1 170 ? 32.941 -1.282 6.807 1.00 24.38 ? 170 ILE A CA 1 ATOM 1377 C C . ILE A 1 170 ? 32.601 -1.721 8.225 1.00 26.35 ? 170 ILE A C 1 ATOM 1378 O O . ILE A 1 170 ? 31.417 -1.841 8.571 1.00 28.23 ? 170 ILE A O 1 ATOM 1379 C CB . ILE A 1 170 ? 33.409 -2.493 5.991 1.00 23.60 ? 170 ILE A CB 1 ATOM 1380 C CG1 . ILE A 1 170 ? 33.598 -2.119 4.521 1.00 23.06 ? 170 ILE A CG1 1 ATOM 1381 C CG2 . ILE A 1 170 ? 32.456 -3.666 6.162 1.00 23.41 ? 170 ILE A CG2 1 ATOM 1382 C CD1 . ILE A 1 170 ? 32.364 -1.613 3.813 1.00 24.08 ? 170 ILE A CD1 1 ATOM 1383 N N . ALA A 1 171 ? 33.629 -1.959 9.036 1.00 25.52 ? 171 ALA A N 1 ATOM 1384 C CA . ALA A 1 171 ? 33.437 -2.363 10.447 1.00 26.63 ? 171 ALA A CA 1 ATOM 1385 C C . ALA A 1 171 ? 32.489 -1.436 11.136 1.00 26.91 ? 171 ALA A C 1 ATOM 1386 O O . ALA A 1 171 ? 31.614 -1.856 11.863 1.00 30.97 ? 171 ALA A O 1 ATOM 1387 C CB . ALA A 1 171 ? 34.761 -2.307 11.190 1.00 27.80 ? 171 ALA A CB 1 ATOM 1388 N N . GLN A 1 172 ? 32.711 -0.148 10.949 1.00 27.70 ? 172 GLN A N 1 ATOM 1389 C CA . GLN A 1 172 ? 31.903 0.884 11.619 1.00 29.34 ? 172 GLN A CA 1 ATOM 1390 C C . GLN A 1 172 ? 30.447 1.002 11.123 1.00 28.61 ? 172 GLN A C 1 ATOM 1391 O O . GLN A 1 172 ? 29.524 1.049 11.927 1.00 29.09 ? 172 GLN A O 1 ATOM 1392 C CB . GLN A 1 172 ? 32.608 2.220 11.493 1.00 29.76 ? 172 GLN A CB 1 ATOM 1393 C CG . GLN A 1 172 ? 33.865 2.275 12.346 1.00 29.97 ? 172 GLN A CG 1 ATOM 1394 C CD . GLN A 1 172 ? 33.513 2.410 13.800 1.00 30.62 ? 172 GLN A CD 1 ATOM 1395 O OE1 . GLN A 1 172 ? 33.583 1.471 14.588 1.00 28.93 ? 172 GLN A OE1 1 ATOM 1396 N NE2 . GLN A 1 172 ? 33.099 3.596 14.163 1.00 36.48 ? 172 GLN A NE2 1 ATOM 1397 N N . ILE A 1 173 ? 30.237 1.025 9.813 1.00 26.41 ? 173 ILE A N 1 ATOM 1398 C CA . ILE A 1 173 ? 28.882 1.204 9.288 1.00 27.81 ? 173 ILE A CA 1 ATOM 1399 C C . ILE A 1 173 ? 27.989 -0.048 9.478 1.00 28.68 ? 173 ILE A C 1 ATOM 1400 O O . ILE A 1 173 ? 26.809 0.064 9.830 1.00 27.78 ? 173 ILE A O 1 ATOM 1401 C CB . ILE A 1 173 ? 28.887 1.763 7.837 1.00 27.48 ? 173 ILE A CB 1 ATOM 1402 C CG1 . ILE A 1 173 ? 29.555 0.817 6.850 1.00 25.51 ? 173 ILE A CG1 1 ATOM 1403 C CG2 . ILE A 1 173 ? 29.658 3.092 7.788 1.00 28.50 ? 173 ILE A CG2 1 ATOM 1404 C CD1 . ILE A 1 173 ? 29.440 1.308 5.435 1.00 24.74 ? 173 ILE A CD1 1 ATOM 1405 N N . SER A 1 174 ? 28.560 -1.231 9.304 1.00 30.95 ? 174 SER A N 1 ATOM 1406 C CA . SER A 1 174 ? 27.878 -2.484 9.678 1.00 33.23 ? 174 SER A CA 1 ATOM 1407 C C . SER A 1 174 ? 27.251 -2.526 11.046 1.00 33.42 ? 174 SER A C 1 ATOM 1408 O O . SER A 1 174 ? 26.241 -3.187 11.195 1.00 38.00 ? 174 SER A O 1 ATOM 1409 C CB . SER A 1 174 ? 28.855 -3.641 9.628 1.00 38.24 ? 174 SER A CB 1 ATOM 1410 O OG . SER A 1 174 ? 29.225 -3.905 8.293 1.00 41.02 ? 174 SER A OG 1 ATOM 1411 N N . ARG A 1 175 ? 27.837 -1.872 12.052 1.00 35.05 ? 175 ARG A N 1 ATOM 1412 C CA . ARG A 1 175 ? 27.169 -1.728 13.376 1.00 38.43 ? 175 ARG A CA 1 ATOM 1413 C C . ARG A 1 175 ? 25.726 -1.142 13.311 1.00 37.37 ? 175 ARG A C 1 ATOM 1414 O O . ARG A 1 175 ? 24.826 -1.618 14.031 1.00 35.31 ? 175 ARG A O 1 ATOM 1415 C CB . ARG A 1 175 ? 27.976 -0.833 14.332 1.00 44.86 ? 175 ARG A CB 1 ATOM 1416 C CG . ARG A 1 175 ? 28.526 -1.518 15.581 1.00 51.18 ? 175 ARG A CG 1 ATOM 1417 C CD . ARG A 1 175 ? 28.493 -0.637 16.858 1.00 56.18 ? 175 ARG A CD 1 ATOM 1418 N NE . ARG A 1 175 ? 29.185 0.685 16.883 1.00 60.52 ? 175 ARG A NE 1 ATOM 1419 C CZ . ARG A 1 175 ? 30.212 1.090 16.117 1.00 63.31 ? 175 ARG A CZ 1 ATOM 1420 N NH1 . ARG A 1 175 ? 30.763 0.319 15.189 1.00 61.50 ? 175 ARG A NH1 1 ATOM 1421 N NH2 . ARG A 1 175 ? 30.709 2.314 16.279 1.00 63.78 ? 175 ARG A NH2 1 ATOM 1422 N N . HIS A 1 176 ? 25.520 -0.114 12.474 1.00 32.29 ? 176 HIS A N 1 ATOM 1423 C CA . HIS A 1 176 ? 24.276 0.682 12.513 1.00 31.30 ? 176 HIS A CA 1 ATOM 1424 C C . HIS A 1 176 ? 23.332 0.342 11.406 1.00 29.83 ? 176 HIS A C 1 ATOM 1425 O O . HIS A 1 176 ? 22.210 0.738 11.468 1.00 34.45 ? 176 HIS A O 1 ATOM 1426 C CB . HIS A 1 176 ? 24.547 2.178 12.349 1.00 31.42 ? 176 HIS A CB 1 ATOM 1427 C CG . HIS A 1 176 ? 25.583 2.721 13.274 1.00 33.09 ? 176 HIS A CG 1 ATOM 1428 N ND1 . HIS A 1 176 ? 25.481 2.643 14.649 1.00 35.11 ? 176 HIS A ND1 1 ATOM 1429 C CD2 . HIS A 1 176 ? 26.740 3.370 13.022 1.00 34.79 ? 176 HIS A CD2 1 ATOM 1430 C CE1 . HIS A 1 176 ? 26.549 3.196 15.204 1.00 34.03 ? 176 HIS A CE1 1 ATOM 1431 N NE2 . HIS A 1 176 ? 27.325 3.646 14.239 1.00 36.15 ? 176 HIS A NE2 1 ATOM 1432 N N . LEU A 1 177 ? 23.822 -0.298 10.357 1.00 26.85 ? 177 LEU A N 1 ATOM 1433 C CA . LEU A 1 177 ? 23.036 -0.636 9.191 1.00 24.22 ? 177 LEU A CA 1 ATOM 1434 C C . LEU A 1 177 ? 22.257 -1.954 9.386 1.00 26.20 ? 177 LEU A C 1 ATOM 1435 O O . LEU A 1 177 ? 22.713 -2.858 10.112 1.00 25.71 ? 177 LEU A O 1 ATOM 1436 C CB . LEU A 1 177 ? 23.973 -0.791 8.003 1.00 22.10 ? 177 LEU A CB 1 ATOM 1437 C CG . LEU A 1 177 ? 24.570 0.471 7.445 1.00 20.64 ? 177 LEU A CG 1 ATOM 1438 C CD1 . LEU A 1 177 ? 25.436 0.078 6.262 1.00 20.46 ? 177 LEU A CD1 1 ATOM 1439 C CD2 . LEU A 1 177 ? 23.495 1.391 6.994 1.00 19.33 ? 177 LEU A CD2 1 ATOM 1440 N N . ASP A 1 178 ? 21.096 -2.062 8.731 1.00 24.92 ? 178 ASP A N 1 ATOM 1441 C CA . ASP A 1 178 ? 20.238 -3.242 8.875 1.00 26.12 ? 178 ASP A CA 1 ATOM 1442 C C . ASP A 1 178 ? 20.630 -4.265 7.836 1.00 26.90 ? 178 ASP A C 1 ATOM 1443 O O . ASP A 1 178 ? 20.379 -5.456 8.015 1.00 25.14 ? 178 ASP A O 1 ATOM 1444 C CB . ASP A 1 178 ? 18.748 -2.894 8.723 1.00 27.47 ? 178 ASP A CB 1 ATOM 1445 C CG . ASP A 1 178 ? 18.223 -2.136 9.917 1.00 28.89 ? 178 ASP A CG 1 ATOM 1446 O OD1 . ASP A 1 178 ? 18.332 -2.668 11.045 1.00 32.55 ? 178 ASP A OD1 1 ATOM 1447 O OD2 . ASP A 1 178 ? 17.748 -0.992 9.755 1.00 32.36 ? 178 ASP A OD2 1 ATOM 1448 N N . PHE A 1 179 ? 21.196 -3.764 6.733 1.00 24.36 ? 179 PHE A N 1 ATOM 1449 C CA . PHE A 1 179 ? 21.901 -4.575 5.790 1.00 22.13 ? 179 PHE A CA 1 ATOM 1450 C C . PHE A 1 179 ? 22.684 -3.689 4.798 1.00 21.84 ? 179 PHE A C 1 ATOM 1451 O O . PHE A 1 179 ? 22.400 -2.456 4.675 1.00 22.15 ? 179 PHE A O 1 ATOM 1452 C CB . PHE A 1 179 ? 20.925 -5.460 5.048 1.00 22.35 ? 179 PHE A CB 1 ATOM 1453 C CG . PHE A 1 179 ? 20.030 -4.725 4.092 1.00 23.46 ? 179 PHE A CG 1 ATOM 1454 C CD1 . PHE A 1 179 ? 18.794 -4.195 4.521 1.00 26.75 ? 179 PHE A CD1 1 ATOM 1455 C CD2 . PHE A 1 179 ? 20.387 -4.577 2.782 1.00 24.24 ? 179 PHE A CD2 1 ATOM 1456 C CE1 . PHE A 1 179 ? 17.958 -3.537 3.660 1.00 24.11 ? 179 PHE A CE1 1 ATOM 1457 C CE2 . PHE A 1 179 ? 19.553 -3.890 1.913 1.00 25.49 ? 179 PHE A CE2 1 ATOM 1458 C CZ . PHE A 1 179 ? 18.346 -3.387 2.357 1.00 24.49 ? 179 PHE A CZ 1 ATOM 1459 N N . ILE A 1 180 ? 23.598 -4.346 4.072 1.00 19.31 ? 180 ILE A N 1 ATOM 1460 C CA . ILE A 1 180 ? 24.419 -3.761 3.044 1.00 20.74 ? 180 ILE A CA 1 ATOM 1461 C C . ILE A 1 180 ? 24.228 -4.585 1.814 1.00 21.70 ? 180 ILE A C 1 ATOM 1462 O O . ILE A 1 180 ? 24.455 -5.775 1.876 1.00 20.75 ? 180 ILE A O 1 ATOM 1463 C CB . ILE A 1 180 ? 25.930 -3.905 3.357 1.00 22.65 ? 180 ILE A CB 1 ATOM 1464 C CG1 . ILE A 1 180 ? 26.291 -3.162 4.634 1.00 25.61 ? 180 ILE A CG1 1 ATOM 1465 C CG2 . ILE A 1 180 ? 26.792 -3.442 2.183 1.00 23.80 ? 180 ILE A CG2 1 ATOM 1466 C CD1 . ILE A 1 180 ? 27.783 -2.965 4.875 1.00 27.30 ? 180 ILE A CD1 1 ATOM 1467 N N . SER A 1 181 ? 23.874 -3.949 0.702 1.00 22.65 ? 181 SER A N 1 ATOM 1468 C CA . SER A 1 181 ? 23.810 -4.584 -0.596 1.00 22.98 ? 181 SER A CA 1 ATOM 1469 C C . SER A 1 181 ? 25.113 -4.381 -1.365 1.00 24.84 ? 181 SER A C 1 ATOM 1470 O O . SER A 1 181 ? 25.474 -3.260 -1.810 1.00 23.54 ? 181 SER A O 1 ATOM 1471 C CB . SER A 1 181 ? 22.641 -3.998 -1.355 1.00 25.59 ? 181 SER A CB 1 ATOM 1472 O OG . SER A 1 181 ? 21.465 -4.060 -0.535 1.00 27.78 ? 181 SER A OG 1 ATOM 1473 N N . LEU A 1 182 ? 25.819 -5.489 -1.558 1.00 24.68 ? 182 LEU A N 1 ATOM 1474 C CA . LEU A 1 182 ? 27.154 -5.494 -2.177 1.00 22.66 ? 182 LEU A CA 1 ATOM 1475 C C . LEU A 1 182 ? 27.029 -5.519 -3.689 1.00 23.34 ? 182 LEU A C 1 ATOM 1476 O O . LEU A 1 182 ? 26.421 -6.453 -4.237 1.00 21.48 ? 182 LEU A O 1 ATOM 1477 C CB . LEU A 1 182 ? 27.846 -6.770 -1.792 1.00 22.90 ? 182 LEU A CB 1 ATOM 1478 C CG . LEU A 1 182 ? 29.253 -6.743 -1.268 1.00 23.26 ? 182 LEU A CG 1 ATOM 1479 C CD1 . LEU A 1 182 ? 29.927 -7.997 -1.786 1.00 21.98 ? 182 LEU A CD1 1 ATOM 1480 C CD2 . LEU A 1 182 ? 30.057 -5.487 -1.616 1.00 24.03 ? 182 LEU A CD2 1 ATOM 1481 N N . LEU A 1 183 ? 27.596 -4.521 -4.373 1.00 23.36 ? 183 LEU A N 1 ATOM 1482 C CA . LEU A 1 183 ? 27.276 -4.279 -5.798 1.00 23.75 ? 183 LEU A CA 1 ATOM 1483 C C . LEU A 1 183 ? 28.076 -5.159 -6.742 1.00 24.72 ? 183 LEU A C 1 ATOM 1484 O O . LEU A 1 183 ? 28.669 -4.679 -7.690 1.00 27.17 ? 183 LEU A O 1 ATOM 1485 C CB . LEU A 1 183 ? 27.470 -2.802 -6.142 1.00 23.68 ? 183 LEU A CB 1 ATOM 1486 C CG . LEU A 1 183 ? 26.563 -1.828 -5.367 1.00 25.05 ? 183 LEU A CG 1 ATOM 1487 C CD1 . LEU A 1 183 ? 26.741 -0.411 -5.883 1.00 25.84 ? 183 LEU A CD1 1 ATOM 1488 C CD2 . LEU A 1 183 ? 25.087 -2.193 -5.414 1.00 24.46 ? 183 LEU A CD2 1 ATOM 1489 N N . THR A 1 184 ? 28.045 -6.464 -6.501 1.00 24.34 ? 184 THR A N 1 ATOM 1490 C CA . THR A 1 184 ? 28.895 -7.412 -7.205 1.00 23.00 ? 184 THR A CA 1 ATOM 1491 C C . THR A 1 184 ? 28.565 -7.692 -8.673 1.00 21.81 ? 184 THR A C 1 ATOM 1492 O O . THR A 1 184 ? 28.362 -8.827 -9.079 1.00 19.98 ? 184 THR A O 1 ATOM 1493 C CB . THR A 1 184 ? 28.847 -8.711 -6.446 1.00 22.85 ? 184 THR A CB 1 ATOM 1494 O OG1 . THR A 1 184 ? 27.557 -8.806 -5.820 1.00 23.33 ? 184 THR A OG1 1 ATOM 1495 C CG2 . THR A 1 184 ? 29.949 -8.720 -5.389 1.00 22.40 ? 184 THR A CG2 1 ATOM 1496 N N . TYR A 1 185 ? 28.462 -6.654 -9.462 1.00 23.15 ? 185 TYR A N 1 ATOM 1497 C CA . TYR A 1 185 ? 28.308 -6.748 -10.887 1.00 25.39 ? 185 TYR A CA 1 ATOM 1498 C C . TYR A 1 185 ? 28.943 -5.658 -11.725 1.00 25.39 ? 185 TYR A C 1 ATOM 1499 O O . TYR A 1 185 ? 28.478 -5.392 -12.771 1.00 24.90 ? 185 TYR A O 1 ATOM 1500 C CB . TYR A 1 185 ? 26.857 -6.905 -11.246 1.00 27.77 ? 185 TYR A CB 1 ATOM 1501 C CG . TYR A 1 185 ? 25.990 -5.979 -10.501 1.00 29.46 ? 185 TYR A CG 1 ATOM 1502 C CD1 . TYR A 1 185 ? 25.959 -4.668 -10.796 1.00 32.11 ? 185 TYR A CD1 1 ATOM 1503 C CD2 . TYR A 1 185 ? 25.225 -6.415 -9.495 1.00 32.60 ? 185 TYR A CD2 1 ATOM 1504 C CE1 . TYR A 1 185 ? 25.186 -3.806 -10.092 1.00 31.94 ? 185 TYR A CE1 1 ATOM 1505 C CE2 . TYR A 1 185 ? 24.438 -5.559 -8.822 1.00 33.86 ? 185 TYR A CE2 1 ATOM 1506 C CZ . TYR A 1 185 ? 24.437 -4.260 -9.128 1.00 33.26 ? 185 TYR A CZ 1 ATOM 1507 O OH . TYR A 1 185 ? 23.657 -3.451 -8.430 1.00 42.68 ? 185 TYR A OH 1 ATOM 1508 N N . ASP A 1 186 ? 29.997 -5.019 -11.268 1.00 29.07 ? 186 ASP A N 1 ATOM 1509 C CA . ASP A 1 186 ? 30.739 -4.018 -12.090 1.00 30.23 ? 186 ASP A CA 1 ATOM 1510 C C . ASP A 1 186 ? 32.246 -4.357 -12.140 1.00 28.01 ? 186 ASP A C 1 ATOM 1511 O O . ASP A 1 186 ? 33.100 -3.500 -12.029 1.00 27.16 ? 186 ASP A O 1 ATOM 1512 C CB . ASP A 1 186 ? 30.498 -2.578 -11.580 1.00 32.46 ? 186 ASP A CB 1 ATOM 1513 C CG . ASP A 1 186 ? 30.883 -1.505 -12.619 1.00 38.92 ? 186 ASP A CG 1 ATOM 1514 O OD1 . ASP A 1 186 ? 30.757 -1.757 -13.844 1.00 45.00 ? 186 ASP A OD1 1 ATOM 1515 O OD2 . ASP A 1 186 ? 31.344 -0.406 -12.239 1.00 39.44 ? 186 ASP A OD2 1 ATOM 1516 N N . PHE A 1 187 ? 32.543 -5.616 -12.396 1.00 27.03 ? 187 PHE A N 1 ATOM 1517 C CA . PHE A 1 187 ? 33.889 -6.159 -12.243 1.00 26.18 ? 187 PHE A CA 1 ATOM 1518 C C . PHE A 1 187 ? 34.708 -6.162 -13.499 1.00 33.24 ? 187 PHE A C 1 ATOM 1519 O O . PHE A 1 187 ? 35.869 -6.583 -13.485 1.00 35.50 ? 187 PHE A O 1 ATOM 1520 C CB . PHE A 1 187 ? 33.807 -7.603 -11.790 1.00 23.04 ? 187 PHE A CB 1 ATOM 1521 C CG . PHE A 1 187 ? 33.652 -7.754 -10.315 1.00 21.39 ? 187 PHE A CG 1 ATOM 1522 C CD1 . PHE A 1 187 ? 34.496 -7.047 -9.455 1.00 20.79 ? 187 PHE A CD1 1 ATOM 1523 C CD2 . PHE A 1 187 ? 32.665 -8.576 -9.780 1.00 19.37 ? 187 PHE A CD2 1 ATOM 1524 C CE1 . PHE A 1 187 ? 34.380 -7.190 -8.096 1.00 21.30 ? 187 PHE A CE1 1 ATOM 1525 C CE2 . PHE A 1 187 ? 32.537 -8.716 -8.420 1.00 19.16 ? 187 PHE A CE2 1 ATOM 1526 C CZ . PHE A 1 187 ? 33.399 -8.038 -7.570 1.00 19.48 ? 187 PHE A CZ 1 ATOM 1527 N N . HIS A 1 188 ? 34.099 -5.745 -14.601 1.00 42.28 ? 188 HIS A N 1 ATOM 1528 C CA . HIS A 1 188 ? 34.828 -5.637 -15.838 1.00 45.76 ? 188 HIS A CA 1 ATOM 1529 C C . HIS A 1 188 ? 34.754 -4.206 -16.319 1.00 54.70 ? 188 HIS A C 1 ATOM 1530 O O . HIS A 1 188 ? 33.815 -3.807 -17.015 1.00 57.63 ? 188 HIS A O 1 ATOM 1531 C CB . HIS A 1 188 ? 34.305 -6.578 -16.879 1.00 42.11 ? 188 HIS A CB 1 ATOM 1532 C CG . HIS A 1 188 ? 35.092 -6.547 -18.144 1.00 40.46 ? 188 HIS A CG 1 ATOM 1533 N ND1 . HIS A 1 188 ? 34.672 -5.862 -19.261 1.00 38.18 ? 188 HIS A ND1 1 ATOM 1534 C CD2 . HIS A 1 188 ? 36.265 -7.132 -18.481 1.00 41.57 ? 188 HIS A CD2 1 ATOM 1535 C CE1 . HIS A 1 188 ? 35.541 -6.033 -20.237 1.00 37.76 ? 188 HIS A CE1 1 ATOM 1536 N NE2 . HIS A 1 188 ? 36.513 -6.810 -19.796 1.00 39.69 ? 188 HIS A NE2 1 ATOM 1537 N N . GLY A 1 189 ? 35.759 -3.430 -15.921 1.00 60.42 ? 189 GLY A N 1 ATOM 1538 C CA . GLY A 1 189 ? 35.893 -2.068 -16.398 1.00 72.28 ? 189 GLY A CA 1 ATOM 1539 C C . GLY A 1 189 ? 35.774 -1.958 -17.919 1.00 80.01 ? 189 GLY A C 1 ATOM 1540 O O . GLY A 1 189 ? 36.474 -2.645 -18.666 1.00 75.45 ? 189 GLY A O 1 ATOM 1541 N N . ALA A 1 190 ? 34.875 -1.089 -18.379 1.00 92.11 ? 190 ALA A N 1 ATOM 1542 C CA . ALA A 1 190 ? 34.669 -0.858 -19.818 1.00 91.33 ? 190 ALA A CA 1 ATOM 1543 C C . ALA A 1 190 ? 35.888 -0.217 -20.474 1.00 93.91 ? 190 ALA A C 1 ATOM 1544 O O . ALA A 1 190 ? 36.141 -0.430 -21.659 1.00 103.79 ? 190 ALA A O 1 ATOM 1545 C CB . ALA A 1 190 ? 33.462 0.036 -20.037 1.00 90.19 ? 190 ALA A CB 1 ATOM 1546 N N . TRP A 1 191 ? 36.611 0.600 -19.709 1.00 81.65 ? 191 TRP A N 1 ATOM 1547 C CA . TRP A 1 191 ? 37.872 1.184 -20.165 1.00 74.46 ? 191 TRP A CA 1 ATOM 1548 C C . TRP A 1 191 ? 38.901 0.173 -20.702 1.00 66.58 ? 191 TRP A C 1 ATOM 1549 O O . TRP A 1 191 ? 39.800 0.541 -21.452 1.00 63.72 ? 191 TRP A O 1 ATOM 1550 C CB . TRP A 1 191 ? 38.505 2.004 -19.037 1.00 77.94 ? 191 TRP A CB 1 ATOM 1551 C CG . TRP A 1 191 ? 38.666 1.245 -17.757 1.00 80.40 ? 191 TRP A CG 1 ATOM 1552 C CD1 . TRP A 1 191 ? 37.815 1.250 -16.691 1.00 77.49 ? 191 TRP A CD1 1 ATOM 1553 C CD2 . TRP A 1 191 ? 39.745 0.369 -17.408 1.00 80.36 ? 191 TRP A CD2 1 ATOM 1554 N NE1 . TRP A 1 191 ? 38.296 0.432 -15.701 1.00 78.08 ? 191 TRP A NE1 1 ATOM 1555 C CE2 . TRP A 1 191 ? 39.479 -0.124 -16.113 1.00 80.91 ? 191 TRP A CE2 1 ATOM 1556 C CE3 . TRP A 1 191 ? 40.912 -0.048 -18.065 1.00 82.73 ? 191 TRP A CE3 1 ATOM 1557 C CZ2 . TRP A 1 191 ? 40.342 -1.025 -15.453 1.00 83.41 ? 191 TRP A CZ2 1 ATOM 1558 C CZ3 . TRP A 1 191 ? 41.776 -0.945 -17.403 1.00 84.76 ? 191 TRP A CZ3 1 ATOM 1559 C CH2 . TRP A 1 191 ? 41.477 -1.424 -16.116 1.00 80.02 ? 191 TRP A CH2 1 ATOM 1560 N N . ARG A 1 192 ? 38.787 -1.087 -20.301 1.00 60.17 ? 192 ARG A N 1 ATOM 1561 C CA . ARG A 1 192 ? 39.627 -2.142 -20.841 1.00 57.35 ? 192 ARG A CA 1 ATOM 1562 C C . ARG A 1 192 ? 39.284 -2.382 -22.282 1.00 52.85 ? 192 ARG A C 1 ATOM 1563 O O . ARG A 1 192 ? 38.162 -2.174 -22.697 1.00 46.34 ? 192 ARG A O 1 ATOM 1564 C CB . ARG A 1 192 ? 39.403 -3.429 -20.088 1.00 65.12 ? 192 ARG A CB 1 ATOM 1565 C CG . ARG A 1 192 ? 39.569 -3.259 -18.595 1.00 71.00 ? 192 ARG A CG 1 ATOM 1566 C CD . ARG A 1 192 ? 40.400 -4.377 -18.028 1.00 77.37 ? 192 ARG A CD 1 ATOM 1567 N NE . ARG A 1 192 ? 39.745 -4.972 -16.877 1.00 83.83 ? 192 ARG A NE 1 ATOM 1568 C CZ . ARG A 1 192 ? 39.637 -6.281 -16.670 1.00 91.25 ? 192 ARG A CZ 1 ATOM 1569 N NH1 . ARG A 1 192 ? 40.134 -7.156 -17.548 1.00 93.91 ? 192 ARG A NH1 1 ATOM 1570 N NH2 . ARG A 1 192 ? 39.010 -6.725 -15.585 1.00 93.82 ? 192 ARG A NH2 1 ATOM 1571 N N . GLN A 1 193 ? 40.255 -2.824 -23.059 1.00 56.02 ? 193 GLN A N 1 ATOM 1572 C CA . GLN A 1 193 ? 40.067 -2.880 -24.504 1.00 55.40 ? 193 GLN A CA 1 ATOM 1573 C C . GLN A 1 193 ? 39.786 -4.313 -24.962 1.00 52.80 ? 193 GLN A C 1 ATOM 1574 O O . GLN A 1 193 ? 40.050 -4.695 -26.100 1.00 54.21 ? 193 GLN A O 1 ATOM 1575 C CB . GLN A 1 193 ? 41.265 -2.249 -25.224 1.00 58.24 ? 193 GLN A CB 1 ATOM 1576 C CG . GLN A 1 193 ? 41.188 -0.717 -25.327 1.00 64.32 ? 193 GLN A CG 1 ATOM 1577 C CD . GLN A 1 193 ? 42.106 0.041 -24.380 1.00 69.65 ? 193 GLN A CD 1 ATOM 1578 O OE1 . GLN A 1 193 ? 41.677 1.002 -23.751 1.00 71.73 ? 193 GLN A OE1 1 ATOM 1579 N NE2 . GLN A 1 193 ? 43.383 -0.363 -24.299 1.00 73.53 ? 193 GLN A NE2 1 ATOM 1580 N N . THR A 1 194 ? 39.203 -5.103 -24.072 1.00 49.94 ? 194 THR A N 1 ATOM 1581 C CA . THR A 1 194 ? 38.913 -6.488 -24.380 1.00 44.96 ? 194 THR A CA 1 ATOM 1582 C C . THR A 1 194 ? 37.576 -6.922 -23.836 1.00 40.49 ? 194 THR A C 1 ATOM 1583 O O . THR A 1 194 ? 36.880 -6.229 -23.109 1.00 36.44 ? 194 THR A O 1 ATOM 1584 C CB . THR A 1 194 ? 39.956 -7.436 -23.757 1.00 45.95 ? 194 THR A CB 1 ATOM 1585 O OG1 . THR A 1 194 ? 39.943 -7.280 -22.330 1.00 41.51 ? 194 THR A OG1 1 ATOM 1586 C CG2 . THR A 1 194 ? 41.353 -7.150 -24.313 1.00 47.15 ? 194 THR A CG2 1 ATOM 1587 N N . VAL A 1 195 ? 37.266 -8.145 -24.160 1.00 37.41 ? 195 VAL A N 1 ATOM 1588 C CA . VAL A 1 195 ? 36.073 -8.773 -23.687 1.00 36.27 ? 195 VAL A CA 1 ATOM 1589 C C . VAL A 1 195 ? 36.243 -9.156 -22.213 1.00 36.96 ? 195 VAL A C 1 ATOM 1590 O O . VAL A 1 195 ? 37.354 -9.164 -21.666 1.00 38.42 ? 195 VAL A O 1 ATOM 1591 C CB . VAL A 1 195 ? 35.775 -9.927 -24.668 1.00 35.76 ? 195 VAL A CB 1 ATOM 1592 C CG1 . VAL A 1 195 ? 35.513 -11.247 -23.995 1.00 38.44 ? 195 VAL A CG1 1 ATOM 1593 C CG2 . VAL A 1 195 ? 34.693 -9.502 -25.629 1.00 35.28 ? 195 VAL A CG2 1 ATOM 1594 N N . GLY A 1 196 ? 35.136 -9.422 -21.542 1.00 34.87 ? 196 GLY A N 1 ATOM 1595 C CA . GLY A 1 196 ? 35.224 -9.825 -20.162 1.00 32.44 ? 196 GLY A CA 1 ATOM 1596 C C . GLY A 1 196 ? 33.880 -9.780 -19.499 1.00 30.54 ? 196 GLY A C 1 ATOM 1597 O O . GLY A 1 196 ? 32.978 -9.120 -19.984 1.00 29.39 ? 196 GLY A O 1 ATOM 1598 N N . HIS A 1 197 ? 33.737 -10.520 -18.409 1.00 28.47 ? 197 HIS A N 1 ATOM 1599 C CA . HIS A 1 197 ? 32.459 -10.574 -17.722 1.00 28.22 ? 197 HIS A CA 1 ATOM 1600 C C . HIS A 1 197 ? 32.550 -9.689 -16.507 1.00 29.00 ? 197 HIS A C 1 ATOM 1601 O O . HIS A 1 197 ? 33.605 -9.592 -15.893 1.00 35.50 ? 197 HIS A O 1 ATOM 1602 C CB . HIS A 1 197 ? 32.110 -11.989 -17.341 1.00 27.43 ? 197 HIS A CB 1 ATOM 1603 C CG . HIS A 1 197 ? 30.639 -12.223 -17.223 1.00 28.77 ? 197 HIS A CG 1 ATOM 1604 N ND1 . HIS A 1 197 ? 29.875 -11.631 -16.247 1.00 28.44 ? 197 HIS A ND1 1 ATOM 1605 C CD2 . HIS A 1 197 ? 29.793 -12.998 -17.948 1.00 30.53 ? 197 HIS A CD2 1 ATOM 1606 C CE1 . HIS A 1 197 ? 28.623 -12.042 -16.359 1.00 33.27 ? 197 HIS A CE1 1 ATOM 1607 N NE2 . HIS A 1 197 ? 28.543 -12.860 -17.398 1.00 32.06 ? 197 HIS A NE2 1 ATOM 1608 N N . HIS A 1 198 ? 31.436 -9.044 -16.172 1.00 27.68 ? 198 HIS A N 1 ATOM 1609 C CA . HIS A 1 198 ? 31.330 -8.041 -15.100 1.00 24.49 ? 198 HIS A CA 1 ATOM 1610 C C . HIS A 1 198 ? 30.732 -8.547 -13.772 1.00 24.12 ? 198 HIS A C 1 ATOM 1611 O O . HIS A 1 198 ? 30.734 -7.833 -12.774 1.00 21.37 ? 198 HIS A O 1 ATOM 1612 C CB . HIS A 1 198 ? 30.429 -6.930 -15.606 1.00 26.04 ? 198 HIS A CB 1 ATOM 1613 C CG . HIS A 1 198 ? 29.062 -7.412 -15.920 1.00 26.34 ? 198 HIS A CG 1 ATOM 1614 N ND1 . HIS A 1 198 ? 28.756 -8.026 -17.113 1.00 28.12 ? 198 HIS A ND1 1 ATOM 1615 C CD2 . HIS A 1 198 ? 27.944 -7.477 -15.161 1.00 28.02 ? 198 HIS A CD2 1 ATOM 1616 C CE1 . HIS A 1 198 ? 27.498 -8.430 -17.081 1.00 29.28 ? 198 HIS A CE1 1 ATOM 1617 N NE2 . HIS A 1 198 ? 26.980 -8.100 -15.915 1.00 27.39 ? 198 HIS A NE2 1 ATOM 1618 N N . SER A 1 199 ? 30.195 -9.759 -13.730 1.00 25.00 ? 199 SER A N 1 ATOM 1619 C CA . SER A 1 199 ? 29.709 -10.301 -12.466 1.00 25.84 ? 199 SER A CA 1 ATOM 1620 C C . SER A 1 199 ? 30.154 -11.737 -12.369 1.00 26.54 ? 199 SER A C 1 ATOM 1621 O O . SER A 1 199 ? 29.355 -12.645 -12.075 1.00 28.55 ? 199 SER A O 1 ATOM 1622 C CB . SER A 1 199 ? 28.181 -10.191 -12.382 1.00 27.09 ? 199 SER A CB 1 ATOM 1623 O OG . SER A 1 199 ? 27.587 -10.936 -13.425 1.00 27.84 ? 199 SER A OG 1 ATOM 1624 N N . PRO A 1 200 ? 31.442 -11.975 -12.623 1.00 25.65 ? 200 PRO A N 1 ATOM 1625 C CA . PRO A 1 200 ? 31.835 -13.342 -12.397 1.00 24.74 ? 200 PRO A CA 1 ATOM 1626 C C . PRO A 1 200 ? 31.780 -13.689 -10.916 1.00 23.30 ? 200 PRO A C 1 ATOM 1627 O O . PRO A 1 200 ? 32.036 -12.819 -10.049 1.00 25.25 ? 200 PRO A O 1 ATOM 1628 C CB . PRO A 1 200 ? 33.270 -13.390 -12.915 1.00 24.88 ? 200 PRO A CB 1 ATOM 1629 C CG . PRO A 1 200 ? 33.746 -12.002 -12.881 1.00 27.21 ? 200 PRO A CG 1 ATOM 1630 C CD . PRO A 1 200 ? 32.545 -11.141 -13.124 1.00 25.87 ? 200 PRO A CD 1 ATOM 1631 N N . LEU A 1 201 ? 31.479 -14.948 -10.625 1.00 21.58 ? 201 LEU A N 1 ATOM 1632 C CA . LEU A 1 201 ? 31.457 -15.409 -9.227 1.00 21.41 ? 201 LEU A CA 1 ATOM 1633 C C . LEU A 1 201 ? 32.840 -15.804 -8.726 1.00 22.34 ? 201 LEU A C 1 ATOM 1634 O O . LEU A 1 201 ? 33.214 -15.564 -7.544 1.00 24.34 ? 201 LEU A O 1 ATOM 1635 C CB . LEU A 1 201 ? 30.498 -16.581 -9.042 1.00 19.49 ? 201 LEU A CB 1 ATOM 1636 C CG . LEU A 1 201 ? 30.506 -17.178 -7.636 1.00 20.37 ? 201 LEU A CG 1 ATOM 1637 C CD1 . LEU A 1 201 ? 30.123 -16.129 -6.593 1.00 19.94 ? 201 LEU A CD1 1 ATOM 1638 C CD2 . LEU A 1 201 ? 29.584 -18.400 -7.485 1.00 21.12 ? 201 LEU A CD2 1 ATOM 1639 N N . PHE A 1 202 ? 33.588 -16.467 -9.590 1.00 24.63 ? 202 PHE A N 1 ATOM 1640 C CA . PHE A 1 202 ? 34.973 -16.839 -9.270 1.00 27.93 ? 202 PHE A CA 1 ATOM 1641 C C . PHE A 1 202 ? 35.904 -16.227 -10.306 1.00 31.03 ? 202 PHE A C 1 ATOM 1642 O O . PHE A 1 202 ? 35.474 -15.892 -11.416 1.00 26.06 ? 202 PHE A O 1 ATOM 1643 C CB . PHE A 1 202 ? 35.132 -18.371 -9.210 1.00 26.68 ? 202 PHE A CB 1 ATOM 1644 C CG . PHE A 1 202 ? 34.382 -18.982 -8.083 1.00 24.01 ? 202 PHE A CG 1 ATOM 1645 C CD1 . PHE A 1 202 ? 34.809 -18.767 -6.761 1.00 24.61 ? 202 PHE A CD1 1 ATOM 1646 C CD2 . PHE A 1 202 ? 33.197 -19.697 -8.308 1.00 23.58 ? 202 PHE A CD2 1 ATOM 1647 C CE1 . PHE A 1 202 ? 34.066 -19.270 -5.678 1.00 22.67 ? 202 PHE A CE1 1 ATOM 1648 C CE2 . PHE A 1 202 ? 32.456 -20.200 -7.227 1.00 22.24 ? 202 PHE A CE2 1 ATOM 1649 C CZ . PHE A 1 202 ? 32.898 -19.986 -5.922 1.00 23.28 ? 202 PHE A CZ 1 ATOM 1650 N N . ARG A 1 203 ? 37.171 -16.102 -9.929 1.00 39.04 ? 203 ARG A N 1 ATOM 1651 C CA . ARG A 1 203 ? 38.213 -15.533 -10.787 1.00 46.68 ? 203 ARG A CA 1 ATOM 1652 C C . ARG A 1 203 ? 38.397 -16.276 -12.096 1.00 48.12 ? 203 ARG A C 1 ATOM 1653 O O . ARG A 1 203 ? 38.598 -15.673 -13.152 1.00 56.99 ? 203 ARG A O 1 ATOM 1654 C CB . ARG A 1 203 ? 39.563 -15.540 -10.061 1.00 53.46 ? 203 ARG A CB 1 ATOM 1655 C CG . ARG A 1 203 ? 40.716 -14.945 -10.880 1.00 59.20 ? 203 ARG A CG 1 ATOM 1656 C CD . ARG A 1 203 ? 41.901 -15.900 -11.013 1.00 68.07 ? 203 ARG A CD 1 ATOM 1657 N NE . ARG A 1 203 ? 42.799 -15.864 -9.855 1.00 73.25 ? 203 ARG A NE 1 ATOM 1658 C CZ . ARG A 1 203 ? 43.609 -16.855 -9.478 1.00 74.39 ? 203 ARG A CZ 1 ATOM 1659 N NH1 . ARG A 1 203 ? 43.636 -17.999 -10.160 1.00 78.43 ? 203 ARG A NH1 1 ATOM 1660 N NH2 . ARG A 1 203 ? 44.389 -16.711 -8.407 1.00 66.86 ? 203 ARG A NH2 1 ATOM 1661 N N . GLY A 1 204 ? 38.374 -17.602 -12.017 1.00 52.93 ? 204 GLY A N 1 ATOM 1662 C CA . GLY A 1 204 ? 38.667 -18.448 -13.160 1.00 58.12 ? 204 GLY A CA 1 ATOM 1663 C C . GLY A 1 204 ? 40.156 -18.723 -13.284 1.00 61.09 ? 204 GLY A C 1 ATOM 1664 O O . GLY A 1 204 ? 40.965 -18.136 -12.565 1.00 53.08 ? 204 GLY A O 1 ATOM 1665 N N . ASN A 1 205 ? 40.517 -19.622 -14.195 1.00 73.00 ? 205 ASN A N 1 ATOM 1666 C CA . ASN A 1 205 ? 41.910 -20.024 -14.381 1.00 85.32 ? 205 ASN A CA 1 ATOM 1667 C C . ASN A 1 205 ? 42.610 -19.401 -15.590 1.00 91.66 ? 205 ASN A C 1 ATOM 1668 O O . ASN A 1 205 ? 43.733 -19.780 -15.923 1.00 95.65 ? 205 ASN A O 1 ATOM 1669 C CB . ASN A 1 205 ? 42.017 -21.550 -14.449 1.00 87.71 ? 205 ASN A CB 1 ATOM 1670 C CG . ASN A 1 205 ? 41.039 -22.244 -13.521 1.00 88.42 ? 205 ASN A CG 1 ATOM 1671 O OD1 . ASN A 1 205 ? 41.374 -22.581 -12.386 1.00 80.21 ? 205 ASN A OD1 1 ATOM 1672 N ND2 . ASN A 1 205 ? 39.820 -22.462 -14.002 1.00 93.97 ? 205 ASN A ND2 1 ATOM 1673 N N . GLU A 1 206 ? 41.807 -18.639 -16.329 1.00 93.33 ? 206 GLU A N 1 ATOM 1674 C CA . GLU A 1 206 ? 41.975 -18.423 -17.746 1.00 93.65 ? 206 GLU A CA 1 ATOM 1675 C C . GLU A 1 206 ? 43.306 -17.765 -17.982 1.00 98.59 ? 206 GLU A C 1 ATOM 1676 O O . GLU A 1 206 ? 44.037 -18.128 -18.884 1.00 93.20 ? 206 GLU A O 1 ATOM 1677 C CB . GLU A 1 206 ? 40.820 -17.590 -18.303 1.00 86.70 ? 206 GLU A CB 1 ATOM 1678 C CG . GLU A 1 206 ? 39.551 -17.606 -17.457 1.00 81.94 ? 206 GLU A CG 1 ATOM 1679 C CD . GLU A 1 206 ? 38.307 -18.002 -18.220 1.00 85.42 ? 206 GLU A CD 1 ATOM 1680 O OE1 . GLU A 1 206 ? 37.272 -18.335 -17.589 1.00 78.49 ? 206 GLU A OE1 1 ATOM 1681 O OE2 . GLU A 1 206 ? 38.366 -18.016 -19.456 1.00 85.95 ? 206 GLU A OE2 1 ATOM 1682 N N . ASP A 1 207 ? 43.570 -16.794 -17.126 1.00 103.95 ? 207 ASP A N 1 ATOM 1683 C CA . ASP A 1 207 ? 44.844 -16.276 -16.661 1.00 103.01 ? 207 ASP A CA 1 ATOM 1684 C C . ASP A 1 207 ? 44.259 -15.648 -15.427 1.00 111.39 ? 207 ASP A C 1 ATOM 1685 O O . ASP A 1 207 ? 43.062 -15.813 -15.203 1.00 120.02 ? 207 ASP A O 1 ATOM 1686 C CB . ASP A 1 207 ? 45.560 -15.276 -17.624 1.00 95.05 ? 207 ASP A CB 1 ATOM 1687 C CG . ASP A 1 207 ? 44.766 -14.004 -17.934 1.00 86.10 ? 207 ASP A CG 1 ATOM 1688 O OD1 . ASP A 1 207 ? 45.267 -12.921 -17.624 1.00 78.47 ? 207 ASP A OD1 1 ATOM 1689 O OD2 . ASP A 1 207 ? 43.679 -14.075 -18.524 1.00 80.06 ? 207 ASP A OD2 1 ATOM 1690 N N . ALA A 1 208 ? 45.050 -15.006 -14.583 1.00 115.63 ? 208 ALA A N 1 ATOM 1691 C CA . ALA A 1 208 ? 44.455 -14.269 -13.479 1.00 119.12 ? 208 ALA A CA 1 ATOM 1692 C C . ALA A 1 208 ? 44.995 -12.872 -13.363 1.00 127.09 ? 208 ALA A C 1 ATOM 1693 O O . ALA A 1 208 ? 45.709 -12.578 -12.441 1.00 138.22 ? 208 ALA A O 1 ATOM 1694 C CB . ALA A 1 208 ? 44.578 -15.019 -12.167 1.00 114.17 ? 208 ALA A CB 1 ATOM 1695 N N . SER A 1 209 ? 44.593 -12.005 -14.291 1.00 127.68 ? 209 SER A N 1 ATOM 1696 C CA . SER A 1 209 ? 45.050 -10.607 -14.347 1.00 117.39 ? 209 SER A CA 1 ATOM 1697 C C . SER A 1 209 ? 44.646 -9.807 -13.075 1.00 115.55 ? 209 SER A C 1 ATOM 1698 O O . SER A 1 209 ? 45.449 -9.010 -12.537 1.00 111.45 ? 209 SER A O 1 ATOM 1699 C CB . SER A 1 209 ? 44.553 -9.921 -15.650 1.00 109.71 ? 209 SER A CB 1 ATOM 1700 O OG . SER A 1 209 ? 45.285 -10.320 -16.799 1.00 98.82 ? 209 SER A OG 1 ATOM 1701 N N . SER A 1 210 ? 43.417 -10.031 -12.606 1.00 102.51 ? 210 SER A N 1 ATOM 1702 C CA . SER A 1 210 ? 43.016 -9.634 -11.294 1.00 89.80 ? 210 SER A CA 1 ATOM 1703 C C . SER A 1 210 ? 42.385 -10.836 -10.661 1.00 89.35 ? 210 SER A C 1 ATOM 1704 O O . SER A 1 210 ? 41.575 -11.525 -11.279 1.00 82.98 ? 210 SER A O 1 ATOM 1705 C CB . SER A 1 210 ? 42.046 -8.486 -11.262 1.00 84.85 ? 210 SER A CB 1 ATOM 1706 O OG . SER A 1 210 ? 42.050 -7.942 -9.969 1.00 78.06 ? 210 SER A OG 1 ATOM 1707 N N . ARG A 1 211 ? 42.762 -11.080 -9.430 1.00 30.45 ? 212 ARG A N 1 ATOM 1708 C CA . ARG A 1 211 ? 42.145 -12.080 -8.698 1.00 28.86 ? 212 ARG A CA 1 ATOM 1709 C C . ARG A 1 211 ? 41.173 -11.434 -7.762 1.00 27.45 ? 212 ARG A C 1 ATOM 1710 O O . ARG A 1 211 ? 40.536 -12.106 -7.047 1.00 23.49 ? 212 ARG A O 1 ATOM 1711 C CB . ARG A 1 211 ? 43.225 -12.952 -8.051 1.00 31.01 ? 212 ARG A CB 1 ATOM 1712 C CG . ARG A 1 211 ? 43.691 -12.642 -6.646 1.00 31.63 ? 212 ARG A CG 1 ATOM 1713 C CD . ARG A 1 211 ? 45.006 -13.337 -6.339 1.00 35.44 ? 212 ARG A CD 1 ATOM 1714 N NE . ARG A 1 211 ? 45.842 -12.558 -5.443 1.00 33.07 ? 212 ARG A NE 1 ATOM 1715 C CZ . ARG A 1 211 ? 45.898 -12.714 -4.134 1.00 33.52 ? 212 ARG A CZ 1 ATOM 1716 N NH1 . ARG A 1 211 ? 45.216 -13.648 -3.531 1.00 31.00 ? 212 ARG A NH1 1 ATOM 1717 N NH2 . ARG A 1 211 ? 46.649 -11.924 -3.426 1.00 37.59 ? 212 ARG A NH2 1 ATOM 1718 N N . PHE A 1 212 ? 41.016 -10.119 -7.803 1.00 30.25 ? 213 PHE A N 1 ATOM 1719 C CA . PHE A 1 212 ? 40.142 -9.464 -6.790 1.00 33.73 ? 213 PHE A CA 1 ATOM 1720 C C . PHE A 1 212 ? 38.731 -9.220 -7.292 1.00 29.24 ? 213 PHE A C 1 ATOM 1721 O O . PHE A 1 212 ? 37.878 -8.818 -6.503 1.00 28.79 ? 213 PHE A O 1 ATOM 1722 C CB . PHE A 1 212 ? 40.793 -8.134 -6.336 1.00 35.55 ? 213 PHE A CB 1 ATOM 1723 C CG . PHE A 1 212 ? 42.226 -8.315 -5.956 1.00 41.04 ? 213 PHE A CG 1 ATOM 1724 C CD1 . PHE A 1 212 ? 42.574 -8.693 -4.666 1.00 43.39 ? 213 PHE A CD1 1 ATOM 1725 C CD2 . PHE A 1 212 ? 43.237 -8.239 -6.919 1.00 48.96 ? 213 PHE A CD2 1 ATOM 1726 C CE1 . PHE A 1 212 ? 43.902 -8.919 -4.315 1.00 45.26 ? 213 PHE A CE1 1 ATOM 1727 C CE2 . PHE A 1 212 ? 44.579 -8.472 -6.574 1.00 47.58 ? 213 PHE A CE2 1 ATOM 1728 C CZ . PHE A 1 212 ? 44.905 -8.814 -5.273 1.00 45.33 ? 213 PHE A CZ 1 ATOM 1729 N N . SER A 1 213 ? 38.522 -9.513 -8.592 1.00 28.35 ? 214 SER A N 1 ATOM 1730 C CA . SER A 1 213 ? 37.508 -8.925 -9.483 1.00 25.29 ? 214 SER A CA 1 ATOM 1731 C C . SER A 1 213 ? 36.366 -9.899 -9.710 1.00 23.58 ? 214 SER A C 1 ATOM 1732 O O . SER A 1 213 ? 35.879 -10.131 -10.850 1.00 20.06 ? 214 SER A O 1 ATOM 1733 C CB . SER A 1 213 ? 38.141 -8.558 -10.850 1.00 29.86 ? 214 SER A CB 1 ATOM 1734 O OG . SER A 1 213 ? 38.721 -7.250 -10.860 1.00 32.10 ? 214 SER A OG 1 ATOM 1735 N N . ASN A 1 214 ? 35.908 -10.455 -8.597 1.00 21.62 ? 215 ASN A N 1 ATOM 1736 C CA . ASN A 1 214 ? 34.880 -11.448 -8.639 1.00 21.64 ? 215 ASN A CA 1 ATOM 1737 C C . ASN A 1 214 ? 34.141 -11.390 -7.343 1.00 20.87 ? 215 ASN A C 1 ATOM 1738 O O . ASN A 1 214 ? 34.716 -11.033 -6.286 1.00 23.08 ? 215 ASN A O 1 ATOM 1739 C CB . ASN A 1 214 ? 35.457 -12.838 -8.887 1.00 21.77 ? 215 ASN A CB 1 ATOM 1740 C CG . ASN A 1 214 ? 36.454 -13.231 -7.834 1.00 22.39 ? 215 ASN A CG 1 ATOM 1741 O OD1 . ASN A 1 214 ? 36.095 -13.736 -6.782 1.00 23.58 ? 215 ASN A OD1 1 ATOM 1742 N ND2 . ASN A 1 214 ? 37.707 -12.883 -8.061 1.00 26.64 ? 215 ASN A ND2 1 ATOM 1743 N N . ALA A 1 215 ? 32.871 -11.737 -7.428 1.00 19.15 ? 216 ALA A N 1 ATOM 1744 C CA . ALA A 1 215 ? 31.983 -11.728 -6.261 1.00 20.35 ? 216 ALA A CA 1 ATOM 1745 C C . ALA A 1 215 ? 32.538 -12.375 -5.013 1.00 20.57 ? 216 ALA A C 1 ATOM 1746 O O . ALA A 1 215 ? 32.452 -11.820 -3.926 1.00 21.75 ? 216 ALA A O 1 ATOM 1747 C CB . ALA A 1 215 ? 30.662 -12.412 -6.646 1.00 20.57 ? 216 ALA A CB 1 ATOM 1748 N N . ASP A 1 216 ? 33.106 -13.567 -5.155 1.00 23.89 ? 217 ASP A N 1 ATOM 1749 C CA . ASP A 1 216 ? 33.660 -14.290 -3.983 1.00 25.85 ? 217 ASP A CA 1 ATOM 1750 C C . ASP A 1 216 ? 34.829 -13.517 -3.370 1.00 25.06 ? 217 ASP A C 1 ATOM 1751 O O . ASP A 1 216 ? 35.033 -13.491 -2.156 1.00 24.77 ? 217 ASP A O 1 ATOM 1752 C CB . ASP A 1 216 ? 34.082 -15.732 -4.384 1.00 26.71 ? 217 ASP A CB 1 ATOM 1753 C CG . ASP A 1 216 ? 34.898 -16.413 -3.334 1.00 25.86 ? 217 ASP A CG 1 ATOM 1754 O OD1 . ASP A 1 216 ? 36.109 -16.421 -3.517 1.00 34.36 ? 217 ASP A OD1 1 ATOM 1755 O OD2 . ASP A 1 216 ? 34.386 -16.926 -2.324 1.00 27.92 ? 217 ASP A OD2 1 ATOM 1756 N N . TYR A 1 217 ? 35.614 -12.848 -4.183 1.00 25.70 ? 218 TYR A N 1 ATOM 1757 C CA . TYR A 1 217 ? 36.626 -11.993 -3.508 1.00 27.48 ? 218 TYR A CA 1 ATOM 1758 C C . TYR A 1 217 ? 35.890 -10.955 -2.628 1.00 23.70 ? 218 TYR A C 1 ATOM 1759 O O . TYR A 1 217 ? 36.157 -10.827 -1.430 1.00 21.46 ? 218 TYR A O 1 ATOM 1760 C CB . TYR A 1 217 ? 37.565 -11.262 -4.481 1.00 28.44 ? 218 TYR A CB 1 ATOM 1761 C CG . TYR A 1 217 ? 38.657 -10.607 -3.698 1.00 31.96 ? 218 TYR A CG 1 ATOM 1762 C CD1 . TYR A 1 217 ? 39.809 -11.331 -3.372 1.00 32.81 ? 218 TYR A CD1 1 ATOM 1763 C CD2 . TYR A 1 217 ? 38.525 -9.306 -3.209 1.00 28.97 ? 218 TYR A CD2 1 ATOM 1764 C CE1 . TYR A 1 217 ? 40.798 -10.773 -2.579 1.00 32.56 ? 218 TYR A CE1 1 ATOM 1765 C CE2 . TYR A 1 217 ? 39.516 -8.739 -2.436 1.00 30.68 ? 218 TYR A CE2 1 ATOM 1766 C CZ . TYR A 1 217 ? 40.657 -9.495 -2.124 1.00 32.27 ? 218 TYR A CZ 1 ATOM 1767 O OH . TYR A 1 217 ? 41.692 -9.006 -1.378 1.00 29.25 ? 218 TYR A OH 1 ATOM 1768 N N . ALA A 1 218 ? 34.930 -10.268 -3.251 1.00 22.57 ? 219 ALA A N 1 ATOM 1769 C CA . ALA A 1 218 ? 34.243 -9.111 -2.613 1.00 22.35 ? 219 ALA A CA 1 ATOM 1770 C C . ALA A 1 218 ? 33.601 -9.492 -1.331 1.00 20.98 ? 219 ALA A C 1 ATOM 1771 O O . ALA A 1 218 ? 33.772 -8.776 -0.328 1.00 19.85 ? 219 ALA A O 1 ATOM 1772 C CB . ALA A 1 218 ? 33.212 -8.480 -3.534 1.00 21.81 ? 219 ALA A CB 1 ATOM 1773 N N . VAL A 1 219 ? 32.923 -10.652 -1.346 1.00 20.61 ? 220 VAL A N 1 ATOM 1774 C CA . VAL A 1 219 ? 32.259 -11.165 -0.139 1.00 19.45 ? 220 VAL A CA 1 ATOM 1775 C C . VAL A 1 219 ? 33.182 -11.588 0.974 1.00 20.93 ? 220 VAL A C 1 ATOM 1776 O O . VAL A 1 219 ? 32.918 -11.278 2.138 1.00 20.51 ? 220 VAL A O 1 ATOM 1777 C CB . VAL A 1 219 ? 31.468 -12.394 -0.456 1.00 20.39 ? 220 VAL A CB 1 ATOM 1778 C CG1 . VAL A 1 219 ? 30.953 -13.018 0.832 1.00 20.71 ? 220 VAL A CG1 1 ATOM 1779 C CG2 . VAL A 1 219 ? 30.310 -12.053 -1.365 1.00 20.94 ? 220 VAL A CG2 1 ATOM 1780 N N . SER A 1 220 ? 34.215 -12.388 0.648 1.00 20.91 ? 221 SER A N 1 ATOM 1781 C CA . SER A 1 220 ? 35.210 -12.758 1.679 1.00 20.52 ? 221 SER A CA 1 ATOM 1782 C C . SER A 1 220 ? 35.860 -11.457 2.250 1.00 19.39 ? 221 SER A C 1 ATOM 1783 O O . SER A 1 220 ? 36.172 -11.348 3.447 1.00 15.59 ? 221 SER A O 1 ATOM 1784 C CB . SER A 1 220 ? 36.343 -13.608 1.088 1.00 19.99 ? 221 SER A CB 1 ATOM 1785 O OG . SER A 1 220 ? 35.905 -14.818 0.571 1.00 19.49 ? 221 SER A OG 1 ATOM 1786 N N . TYR A 1 221 ? 36.125 -10.509 1.354 1.00 19.50 ? 222 TYR A N 1 ATOM 1787 C CA . TYR A 1 221 ? 36.804 -9.284 1.798 1.00 22.14 ? 222 TYR A CA 1 ATOM 1788 C C . TYR A 1 221 ? 35.958 -8.440 2.788 1.00 23.28 ? 222 TYR A C 1 ATOM 1789 O O . TYR A 1 221 ? 36.447 -8.030 3.820 1.00 27.63 ? 222 TYR A O 1 ATOM 1790 C CB . TYR A 1 221 ? 37.230 -8.464 0.605 1.00 21.74 ? 222 TYR A CB 1 ATOM 1791 C CG . TYR A 1 221 ? 38.178 -7.354 0.965 1.00 25.91 ? 222 TYR A CG 1 ATOM 1792 C CD1 . TYR A 1 221 ? 39.358 -7.592 1.696 1.00 27.01 ? 222 TYR A CD1 1 ATOM 1793 C CD2 . TYR A 1 221 ? 37.929 -6.058 0.537 1.00 27.12 ? 222 TYR A CD2 1 ATOM 1794 C CE1 . TYR A 1 221 ? 40.233 -6.551 1.979 1.00 28.03 ? 222 TYR A CE1 1 ATOM 1795 C CE2 . TYR A 1 221 ? 38.792 -5.020 0.820 1.00 28.63 ? 222 TYR A CE2 1 ATOM 1796 C CZ . TYR A 1 221 ? 39.943 -5.252 1.516 1.00 29.17 ? 222 TYR A CZ 1 ATOM 1797 O OH . TYR A 1 221 ? 40.741 -4.139 1.763 1.00 30.42 ? 222 TYR A OH 1 ATOM 1798 N N . MET A 1 222 ? 34.684 -8.230 2.492 1.00 23.16 ? 223 MET A N 1 ATOM 1799 C CA . MET A 1 222 ? 33.760 -7.586 3.441 1.00 22.90 ? 223 MET A CA 1 ATOM 1800 C C . MET A 1 222 ? 33.655 -8.305 4.754 1.00 21.74 ? 223 MET A C 1 ATOM 1801 O O . MET A 1 222 ? 33.580 -7.648 5.804 1.00 19.10 ? 223 MET A O 1 ATOM 1802 C CB . MET A 1 222 ? 32.341 -7.530 2.871 1.00 22.07 ? 223 MET A CB 1 ATOM 1803 C CG . MET A 1 222 ? 32.233 -6.714 1.612 1.00 22.65 ? 223 MET A CG 1 ATOM 1804 S SD . MET A 1 222 ? 32.240 -4.955 1.962 1.00 26.04 ? 223 MET A SD 1 ATOM 1805 C CE . MET A 1 222 ? 30.668 -4.826 2.822 1.00 28.27 ? 223 MET A CE 1 ATOM 1806 N N . LEU A 1 223 ? 33.555 -9.638 4.692 1.00 22.15 ? 224 LEU A N 1 ATOM 1807 C CA . LEU A 1 223 ? 33.516 -10.443 5.931 1.00 23.69 ? 224 LEU A CA 1 ATOM 1808 C C . LEU A 1 223 ? 34.803 -10.263 6.728 1.00 27.04 ? 224 LEU A C 1 ATOM 1809 O O . LEU A 1 223 ? 34.772 -10.064 7.961 1.00 27.36 ? 224 LEU A O 1 ATOM 1810 C CB . LEU A 1 223 ? 33.346 -11.920 5.673 1.00 23.50 ? 224 LEU A CB 1 ATOM 1811 C CG . LEU A 1 223 ? 32.004 -12.458 5.137 1.00 25.24 ? 224 LEU A CG 1 ATOM 1812 C CD1 . LEU A 1 223 ? 32.149 -13.975 4.896 1.00 25.07 ? 224 LEU A CD1 1 ATOM 1813 C CD2 . LEU A 1 223 ? 30.841 -12.225 6.060 1.00 25.80 ? 224 LEU A CD2 1 ATOM 1814 N N . ARG A 1 224 ? 35.939 -10.331 6.032 1.00 29.66 ? 225 ARG A N 1 ATOM 1815 C CA . ARG A 1 224 ? 37.228 -10.108 6.693 1.00 31.73 ? 225 ARG A CA 1 ATOM 1816 C C . ARG A 1 224 ? 37.286 -8.660 7.207 1.00 29.44 ? 225 ARG A C 1 ATOM 1817 O O . ARG A 1 224 ? 37.804 -8.390 8.293 1.00 30.71 ? 225 ARG A O 1 ATOM 1818 C CB . ARG A 1 224 ? 38.409 -10.515 5.779 1.00 34.21 ? 225 ARG A CB 1 ATOM 1819 C CG . ARG A 1 224 ? 39.357 -9.431 5.301 1.00 38.55 ? 225 ARG A CG 1 ATOM 1820 C CD . ARG A 1 224 ? 40.075 -8.793 6.451 1.00 40.31 ? 225 ARG A CD 1 ATOM 1821 N NE . ARG A 1 224 ? 41.421 -8.361 6.130 1.00 51.13 ? 225 ARG A NE 1 ATOM 1822 C CZ . ARG A 1 224 ? 42.399 -8.281 7.038 1.00 61.77 ? 225 ARG A CZ 1 ATOM 1823 N NH1 . ARG A 1 224 ? 43.595 -7.859 6.686 1.00 65.00 ? 225 ARG A NH1 1 ATOM 1824 N NH2 . ARG A 1 224 ? 42.195 -8.631 8.310 1.00 64.35 ? 225 ARG A NH2 1 ATOM 1825 N N . LEU A 1 225 ? 36.677 -7.737 6.475 1.00 29.84 ? 226 LEU A N 1 ATOM 1826 C CA . LEU A 1 225 ? 36.573 -6.332 6.952 1.00 30.49 ? 226 LEU A CA 1 ATOM 1827 C C . LEU A 1 225 ? 35.618 -6.117 8.165 1.00 29.00 ? 226 LEU A C 1 ATOM 1828 O O . LEU A 1 225 ? 35.517 -4.991 8.670 1.00 32.04 ? 226 LEU A O 1 ATOM 1829 C CB . LEU A 1 225 ? 36.229 -5.390 5.787 1.00 29.35 ? 226 LEU A CB 1 ATOM 1830 C CG . LEU A 1 225 ? 37.238 -4.371 5.223 1.00 30.84 ? 226 LEU A CG 1 ATOM 1831 C CD1 . LEU A 1 225 ? 38.724 -4.737 5.304 1.00 30.21 ? 226 LEU A CD1 1 ATOM 1832 C CD2 . LEU A 1 225 ? 36.858 -3.937 3.807 1.00 29.96 ? 226 LEU A CD2 1 ATOM 1833 N N . GLY A 1 226 ? 34.969 -7.182 8.661 1.00 28.33 ? 227 GLY A N 1 ATOM 1834 C CA . GLY A 1 226 ? 34.068 -7.098 9.838 1.00 26.01 ? 227 GLY A CA 1 ATOM 1835 C C . GLY A 1 226 ? 32.608 -6.757 9.531 1.00 25.59 ? 227 GLY A C 1 ATOM 1836 O O . GLY A 1 226 ? 31.887 -6.210 10.370 1.00 23.24 ? 227 GLY A O 1 ATOM 1837 N N . ALA A 1 227 ? 32.161 -7.076 8.324 1.00 26.05 ? 228 ALA A N 1 ATOM 1838 C CA . ALA A 1 227 ? 30.748 -7.012 7.997 1.00 26.94 ? 228 ALA A CA 1 ATOM 1839 C C . ALA A 1 227 ? 30.121 -8.341 8.375 1.00 27.46 ? 228 ALA A C 1 ATOM 1840 O O . ALA A 1 227 ? 30.473 -9.363 7.780 1.00 29.88 ? 228 ALA A O 1 ATOM 1841 C CB . ALA A 1 227 ? 30.593 -6.755 6.514 1.00 27.39 ? 228 ALA A CB 1 ATOM 1842 N N . PRO A 1 228 ? 29.205 -8.377 9.369 1.00 27.95 ? 229 PRO A N 1 ATOM 1843 C CA . PRO A 1 228 ? 28.743 -9.763 9.691 1.00 27.06 ? 229 PRO A CA 1 ATOM 1844 C C . PRO A 1 228 ? 27.934 -10.378 8.546 1.00 23.60 ? 229 PRO A C 1 ATOM 1845 O O . PRO A 1 228 ? 27.261 -9.677 7.843 1.00 20.61 ? 229 PRO A O 1 ATOM 1846 C CB . PRO A 1 228 ? 27.885 -9.610 10.962 1.00 26.21 ? 229 PRO A CB 1 ATOM 1847 C CG . PRO A 1 228 ? 27.915 -8.144 11.319 1.00 28.01 ? 229 PRO A CG 1 ATOM 1848 C CD . PRO A 1 228 ? 28.466 -7.358 10.139 1.00 28.81 ? 229 PRO A CD 1 ATOM 1849 N N . ALA A 1 229 ? 28.030 -11.687 8.372 1.00 22.39 ? 230 ALA A N 1 ATOM 1850 C CA . ALA A 1 229 ? 27.371 -12.334 7.272 1.00 22.24 ? 230 ALA A CA 1 ATOM 1851 C C . ALA A 1 229 ? 25.909 -11.987 7.319 1.00 22.46 ? 230 ALA A C 1 ATOM 1852 O O . ALA A 1 229 ? 25.344 -11.686 6.270 1.00 22.96 ? 230 ALA A O 1 ATOM 1853 C CB . ALA A 1 229 ? 27.583 -13.847 7.286 1.00 21.04 ? 230 ALA A CB 1 ATOM 1854 N N . ASN A 1 230 ? 25.314 -11.978 8.519 1.00 23.03 ? 231 ASN A N 1 ATOM 1855 C CA . ASN A 1 230 ? 23.870 -11.736 8.658 1.00 24.73 ? 231 ASN A CA 1 ATOM 1856 C C . ASN A 1 230 ? 23.427 -10.307 8.329 1.00 24.65 ? 231 ASN A C 1 ATOM 1857 O O . ASN A 1 230 ? 22.218 -10.013 8.409 1.00 30.63 ? 231 ASN A O 1 ATOM 1858 C CB . ASN A 1 230 ? 23.327 -12.153 10.045 1.00 25.29 ? 231 ASN A CB 1 ATOM 1859 C CG . ASN A 1 230 ? 23.745 -11.202 11.170 1.00 28.50 ? 231 ASN A CG 1 ATOM 1860 O OD1 . ASN A 1 230 ? 24.445 -10.213 10.956 1.00 31.82 ? 231 ASN A OD1 1 ATOM 1861 N ND2 . ASN A 1 230 ? 23.314 -11.507 12.386 1.00 29.08 ? 231 ASN A ND2 1 ATOM 1862 N N . LYS A 1 231 ? 24.357 -9.431 7.955 1.00 22.40 ? 232 LYS A N 1 ATOM 1863 C CA . LYS A 1 231 ? 24.003 -8.094 7.449 1.00 22.40 ? 232 LYS A CA 1 ATOM 1864 C C . LYS A 1 231 ? 24.395 -7.876 6.005 1.00 21.24 ? 232 LYS A C 1 ATOM 1865 O O . LYS A 1 231 ? 24.305 -6.770 5.487 1.00 22.12 ? 232 LYS A O 1 ATOM 1866 C CB . LYS A 1 231 ? 24.565 -6.998 8.341 1.00 21.59 ? 232 LYS A CB 1 ATOM 1867 C CG . LYS A 1 231 ? 23.808 -6.908 9.651 1.00 22.62 ? 232 LYS A CG 1 ATOM 1868 C CD . LYS A 1 231 ? 24.118 -5.589 10.360 1.00 23.71 ? 232 LYS A CD 1 ATOM 1869 C CE . LYS A 1 231 ? 23.235 -5.393 11.581 1.00 23.44 ? 232 LYS A CE 1 ATOM 1870 N NZ . LYS A 1 231 ? 23.694 -4.197 12.321 1.00 24.34 ? 232 LYS A NZ 1 ATOM 1871 N N . LEU A 1 232 ? 24.702 -8.953 5.309 1.00 20.18 ? 233 LEU A N 1 ATOM 1872 C CA . LEU A 1 232 ? 25.318 -8.822 4.013 1.00 19.44 ? 233 LEU A CA 1 ATOM 1873 C C . LEU A 1 232 ? 24.466 -9.440 3.006 1.00 17.49 ? 233 LEU A C 1 ATOM 1874 O O . LEU A 1 232 ? 24.002 -10.549 3.225 1.00 18.03 ? 233 LEU A O 1 ATOM 1875 C CB . LEU A 1 232 ? 26.611 -9.602 4.045 1.00 21.34 ? 233 LEU A CB 1 ATOM 1876 C CG . LEU A 1 232 ? 27.803 -8.920 3.496 1.00 23.47 ? 233 LEU A CG 1 ATOM 1877 C CD1 . LEU A 1 232 ? 28.965 -9.794 3.935 1.00 27.43 ? 233 LEU A CD1 1 ATOM 1878 C CD2 . LEU A 1 232 ? 27.729 -8.841 2.009 1.00 24.03 ? 233 LEU A CD2 1 ATOM 1879 N N . VAL A 1 233 ? 24.336 -8.783 1.869 1.00 16.03 ? 234 VAL A N 1 ATOM 1880 C CA . VAL A 1 233 ? 23.417 -9.181 0.867 1.00 15.94 ? 234 VAL A CA 1 ATOM 1881 C C . VAL A 1 233 ? 24.127 -9.077 -0.444 1.00 16.84 ? 234 VAL A C 1 ATOM 1882 O O . VAL A 1 233 ? 24.575 -8.040 -0.807 1.00 18.21 ? 234 VAL A O 1 ATOM 1883 C CB . VAL A 1 233 ? 22.270 -8.167 0.872 1.00 15.87 ? 234 VAL A CB 1 ATOM 1884 C CG1 . VAL A 1 233 ? 21.474 -8.193 -0.416 1.00 16.95 ? 234 VAL A CG1 1 ATOM 1885 C CG2 . VAL A 1 233 ? 21.360 -8.463 2.021 1.00 16.49 ? 234 VAL A CG2 1 ATOM 1886 N N . MET A 1 234 ? 24.165 -10.128 -1.210 1.00 17.39 ? 235 MET A N 1 ATOM 1887 C CA . MET A 1 234 ? 24.937 -10.095 -2.427 1.00 18.39 ? 235 MET A CA 1 ATOM 1888 C C . MET A 1 234 ? 24.149 -9.687 -3.662 1.00 18.26 ? 235 MET A C 1 ATOM 1889 O O . MET A 1 234 ? 23.068 -10.190 -3.950 1.00 19.41 ? 235 MET A O 1 ATOM 1890 C CB . MET A 1 234 ? 25.552 -11.482 -2.643 1.00 19.48 ? 235 MET A CB 1 ATOM 1891 C CG . MET A 1 234 ? 26.329 -11.638 -3.924 1.00 20.72 ? 235 MET A CG 1 ATOM 1892 S SD . MET A 1 234 ? 27.171 -13.233 -4.004 1.00 23.41 ? 235 MET A SD 1 ATOM 1893 C CE . MET A 1 234 ? 26.137 -14.087 -5.194 1.00 24.58 ? 235 MET A CE 1 ATOM 1894 N N . GLY A 1 235 ? 24.764 -8.857 -4.468 1.00 18.25 ? 236 GLY A N 1 ATOM 1895 C CA . GLY A 1 235 ? 24.064 -8.254 -5.566 1.00 18.94 ? 236 GLY A CA 1 ATOM 1896 C C . GLY A 1 235 ? 24.114 -9.141 -6.751 1.00 19.27 ? 236 GLY A C 1 ATOM 1897 O O . GLY A 1 235 ? 25.176 -9.603 -7.143 1.00 20.56 ? 236 GLY A O 1 ATOM 1898 N N . ILE A 1 236 ? 22.965 -9.332 -7.362 1.00 19.06 ? 237 ILE A N 1 ATOM 1899 C CA . ILE A 1 236 ? 22.895 -10.144 -8.558 1.00 19.32 ? 237 ILE A CA 1 ATOM 1900 C C . ILE A 1 236 ? 22.318 -9.322 -9.700 1.00 21.45 ? 237 ILE A C 1 ATOM 1901 O O . ILE A 1 236 ? 21.251 -8.708 -9.554 1.00 24.06 ? 237 ILE A O 1 ATOM 1902 C CB . ILE A 1 236 ? 21.984 -11.344 -8.330 1.00 18.74 ? 237 ILE A CB 1 ATOM 1903 C CG1 . ILE A 1 236 ? 22.597 -12.277 -7.281 1.00 18.58 ? 237 ILE A CG1 1 ATOM 1904 C CG2 . ILE A 1 236 ? 21.749 -12.065 -9.636 1.00 19.54 ? 237 ILE A CG2 1 ATOM 1905 C CD1 . ILE A 1 236 ? 21.626 -13.292 -6.716 1.00 18.69 ? 237 ILE A CD1 1 ATOM 1906 N N . PRO A 1 237 ? 23.015 -9.294 -10.852 1.00 21.29 ? 238 PRO A N 1 ATOM 1907 C CA . PRO A 1 237 ? 22.487 -8.435 -11.893 1.00 19.89 ? 238 PRO A CA 1 ATOM 1908 C C . PRO A 1 237 ? 21.461 -9.116 -12.745 1.00 20.83 ? 238 PRO A C 1 ATOM 1909 O O . PRO A 1 237 ? 21.503 -10.342 -12.977 1.00 20.82 ? 238 PRO A O 1 ATOM 1910 C CB . PRO A 1 237 ? 23.701 -8.113 -12.731 1.00 19.96 ? 238 PRO A CB 1 ATOM 1911 C CG . PRO A 1 237 ? 24.578 -9.266 -12.534 1.00 19.50 ? 238 PRO A CG 1 ATOM 1912 C CD . PRO A 1 237 ? 24.423 -9.611 -11.082 1.00 19.36 ? 238 PRO A CD 1 ATOM 1913 N N . THR A 1 238 ? 20.522 -8.310 -13.207 1.00 21.17 ? 239 THR A N 1 ATOM 1914 C CA . THR A 1 238 ? 19.454 -8.770 -14.066 1.00 21.78 ? 239 THR A CA 1 ATOM 1915 C C . THR A 1 238 ? 19.657 -8.318 -15.530 1.00 23.19 ? 239 THR A C 1 ATOM 1916 O O . THR A 1 238 ? 19.066 -8.847 -16.476 1.00 26.90 ? 239 THR A O 1 ATOM 1917 C CB . THR A 1 238 ? 18.151 -8.269 -13.472 1.00 21.85 ? 239 THR A CB 1 ATOM 1918 O OG1 . THR A 1 238 ? 17.372 -9.390 -13.079 1.00 23.31 ? 239 THR A OG1 1 ATOM 1919 C CG2 . THR A 1 238 ? 17.447 -7.497 -14.426 1.00 21.91 ? 239 THR A CG2 1 ATOM 1920 N N . PHE A 1 239 ? 20.551 -7.365 -15.705 1.00 21.24 ? 240 PHE A N 1 ATOM 1921 C CA . PHE A 1 239 ? 20.928 -6.880 -17.018 1.00 19.77 ? 240 PHE A CA 1 ATOM 1922 C C . PHE A 1 239 ? 22.200 -7.584 -17.510 1.00 20.26 ? 240 PHE A C 1 ATOM 1923 O O . PHE A 1 239 ? 22.741 -8.434 -16.829 1.00 19.51 ? 240 PHE A O 1 ATOM 1924 C CB . PHE A 1 239 ? 21.135 -5.373 -16.918 1.00 19.02 ? 240 PHE A CB 1 ATOM 1925 C CG . PHE A 1 239 ? 22.185 -4.987 -15.946 1.00 19.18 ? 240 PHE A CG 1 ATOM 1926 C CD1 . PHE A 1 239 ? 21.900 -4.780 -14.613 1.00 20.71 ? 240 PHE A CD1 1 ATOM 1927 C CD2 . PHE A 1 239 ? 23.510 -4.917 -16.367 1.00 20.48 ? 240 PHE A CD2 1 ATOM 1928 C CE1 . PHE A 1 239 ? 22.930 -4.451 -13.708 1.00 21.46 ? 240 PHE A CE1 1 ATOM 1929 C CE2 . PHE A 1 239 ? 24.541 -4.580 -15.510 1.00 19.34 ? 240 PHE A CE2 1 ATOM 1930 C CZ . PHE A 1 239 ? 24.256 -4.337 -14.164 1.00 20.94 ? 240 PHE A CZ 1 ATOM 1931 N N . GLY A 1 240 ? 22.618 -7.265 -18.731 1.00 22.01 ? 241 GLY A N 1 ATOM 1932 C CA . GLY A 1 240 ? 23.883 -7.692 -19.274 1.00 23.49 ? 241 GLY A CA 1 ATOM 1933 C C . GLY A 1 240 ? 24.644 -6.469 -19.770 1.00 23.71 ? 241 GLY A C 1 ATOM 1934 O O . GLY A 1 240 ? 24.089 -5.386 -19.811 1.00 23.45 ? 241 GLY A O 1 ATOM 1935 N N . ARG A 1 241 ? 25.891 -6.634 -20.157 1.00 23.96 ? 242 ARG A N 1 ATOM 1936 C CA . ARG A 1 241 ? 26.679 -5.619 -20.803 1.00 23.23 ? 242 ARG A CA 1 ATOM 1937 C C . ARG A 1 241 ? 27.142 -6.091 -22.124 1.00 22.23 ? 242 ARG A C 1 ATOM 1938 O O . ARG A 1 241 ? 27.462 -7.196 -22.316 1.00 22.81 ? 242 ARG A O 1 ATOM 1939 C CB . ARG A 1 241 ? 27.907 -5.360 -20.018 1.00 26.18 ? 242 ARG A CB 1 ATOM 1940 C CG . ARG A 1 241 ? 27.716 -5.343 -18.563 1.00 31.82 ? 242 ARG A CG 1 ATOM 1941 C CD . ARG A 1 241 ? 28.727 -4.405 -18.006 1.00 37.52 ? 242 ARG A CD 1 ATOM 1942 N NE . ARG A 1 241 ? 28.479 -4.034 -16.625 1.00 43.97 ? 242 ARG A NE 1 ATOM 1943 C CZ . ARG A 1 241 ? 28.067 -2.844 -16.247 1.00 50.96 ? 242 ARG A CZ 1 ATOM 1944 N NH1 . ARG A 1 241 ? 27.856 -2.611 -14.972 1.00 50.40 ? 242 ARG A NH1 1 ATOM 1945 N NH2 . ARG A 1 241 ? 27.856 -1.913 -17.157 1.00 57.44 ? 242 ARG A NH2 1 ATOM 1946 N N . SER A 1 242 ? 27.254 -5.186 -23.029 1.00 23.18 ? 243 SER A N 1 ATOM 1947 C CA . SER A 1 242 ? 27.580 -5.508 -24.401 1.00 24.21 ? 243 SER A CA 1 ATOM 1948 C C . SER A 1 242 ? 28.754 -4.696 -24.900 1.00 26.60 ? 243 SER A C 1 ATOM 1949 O O . SER A 1 242 ? 28.987 -3.533 -24.489 1.00 23.11 ? 243 SER A O 1 ATOM 1950 C CB . SER A 1 242 ? 26.419 -5.132 -25.308 1.00 23.56 ? 243 SER A CB 1 ATOM 1951 O OG . SER A 1 242 ? 26.143 -3.753 -25.173 1.00 22.29 ? 243 SER A OG 1 ATOM 1952 N N . TYR A 1 243 ? 29.443 -5.284 -25.872 1.00 29.16 ? 244 TYR A N 1 ATOM 1953 C CA . TYR A 1 243 ? 30.612 -4.648 -26.463 1.00 28.55 ? 244 TYR A CA 1 ATOM 1954 C C . TYR A 1 243 ? 30.573 -4.991 -27.912 1.00 30.05 ? 244 TYR A C 1 ATOM 1955 O O . TYR A 1 243 ? 30.213 -6.102 -28.260 1.00 29.71 ? 244 TYR A O 1 ATOM 1956 C CB . TYR A 1 243 ? 31.888 -5.185 -25.820 1.00 27.31 ? 244 TYR A CB 1 ATOM 1957 C CG . TYR A 1 243 ? 31.802 -5.187 -24.321 1.00 24.63 ? 244 TYR A CG 1 ATOM 1958 C CD1 . TYR A 1 243 ? 31.242 -6.253 -23.630 1.00 26.69 ? 244 TYR A CD1 1 ATOM 1959 C CD2 . TYR A 1 243 ? 32.217 -4.111 -23.605 1.00 25.63 ? 244 TYR A CD2 1 ATOM 1960 C CE1 . TYR A 1 243 ? 31.131 -6.237 -22.245 1.00 25.45 ? 244 TYR A CE1 1 ATOM 1961 C CE2 . TYR A 1 243 ? 32.161 -4.085 -22.222 1.00 24.85 ? 244 TYR A CE2 1 ATOM 1962 C CZ . TYR A 1 243 ? 31.603 -5.129 -21.538 1.00 25.38 ? 244 TYR A CZ 1 ATOM 1963 O OH . TYR A 1 243 ? 31.534 -5.062 -20.146 1.00 22.68 ? 244 TYR A OH 1 ATOM 1964 N N . THR A 1 244 ? 30.876 -4.007 -28.745 1.00 33.36 ? 245 THR A N 1 ATOM 1965 C CA . THR A 1 244 ? 31.133 -4.219 -30.158 1.00 34.55 ? 245 THR A CA 1 ATOM 1966 C C . THR A 1 244 ? 32.544 -4.779 -30.290 1.00 33.69 ? 245 THR A C 1 ATOM 1967 O O . THR A 1 244 ? 33.452 -4.381 -29.568 1.00 34.26 ? 245 THR A O 1 ATOM 1968 C CB . THR A 1 244 ? 31.055 -2.871 -30.908 1.00 38.83 ? 245 THR A CB 1 ATOM 1969 O OG1 . THR A 1 244 ? 29.774 -2.245 -30.667 1.00 39.88 ? 245 THR A OG1 1 ATOM 1970 C CG2 . THR A 1 244 ? 31.291 -3.059 -32.438 1.00 38.89 ? 245 THR A CG2 1 ATOM 1971 N N . LEU A 1 245 ? 32.742 -5.680 -31.232 1.00 36.51 ? 246 LEU A N 1 ATOM 1972 C CA . LEU A 1 245 ? 34.032 -6.393 -31.370 1.00 36.68 ? 246 LEU A CA 1 ATOM 1973 C C . LEU A 1 245 ? 34.954 -5.742 -32.381 1.00 37.20 ? 246 LEU A C 1 ATOM 1974 O O . LEU A 1 245 ? 34.485 -5.267 -33.425 1.00 38.00 ? 246 LEU A O 1 ATOM 1975 C CB . LEU A 1 245 ? 33.806 -7.843 -31.791 1.00 33.86 ? 246 LEU A CB 1 ATOM 1976 C CG . LEU A 1 245 ? 33.303 -8.798 -30.721 1.00 31.14 ? 246 LEU A CG 1 ATOM 1977 C CD1 . LEU A 1 245 ? 32.766 -10.067 -31.353 1.00 30.75 ? 246 LEU A CD1 1 ATOM 1978 C CD2 . LEU A 1 245 ? 34.393 -9.143 -29.723 1.00 31.48 ? 246 LEU A CD2 1 ATOM 1979 N N . ALA A 1 246 ? 36.258 -5.740 -32.074 1.00 38.67 ? 247 ALA A N 1 ATOM 1980 C CA . ALA A 1 246 ? 37.260 -5.175 -32.993 1.00 40.96 ? 247 ALA A CA 1 ATOM 1981 C C . ALA A 1 246 ? 37.688 -6.160 -34.080 1.00 41.93 ? 247 ALA A C 1 ATOM 1982 O O . ALA A 1 246 ? 38.360 -5.763 -35.041 1.00 47.83 ? 247 ALA A O 1 ATOM 1983 C CB . ALA A 1 246 ? 38.470 -4.673 -32.234 1.00 39.83 ? 247 ALA A CB 1 ATOM 1984 N N . SER A 1 247 ? 37.291 -7.426 -33.943 1.00 42.69 ? 248 SER A N 1 ATOM 1985 C CA . SER A 1 247 ? 37.647 -8.458 -34.915 1.00 44.89 ? 248 SER A CA 1 ATOM 1986 C C . SER A 1 247 ? 36.642 -9.607 -34.882 1.00 46.92 ? 248 SER A C 1 ATOM 1987 O O . SER A 1 247 ? 35.536 -9.448 -34.370 1.00 55.64 ? 248 SER A O 1 ATOM 1988 C CB . SER A 1 247 ? 39.111 -8.933 -34.680 1.00 46.30 ? 248 SER A CB 1 ATOM 1989 O OG . SER A 1 247 ? 39.259 -9.671 -33.482 1.00 47.25 ? 248 SER A OG 1 ATOM 1990 N N . SER A 1 248 ? 37.001 -10.745 -35.468 1.00 47.05 ? 249 SER A N 1 ATOM 1991 C CA . SER A 1 248 ? 36.181 -11.945 -35.383 1.00 43.74 ? 249 SER A CA 1 ATOM 1992 C C . SER A 1 248 ? 36.597 -12.753 -34.168 1.00 45.09 ? 249 SER A C 1 ATOM 1993 O O . SER A 1 248 ? 36.002 -13.805 -33.882 1.00 44.53 ? 249 SER A O 1 ATOM 1994 C CB . SER A 1 248 ? 36.297 -12.793 -36.659 1.00 46.96 ? 249 SER A CB 1 ATOM 1995 O OG . SER A 1 248 ? 37.634 -13.152 -36.945 1.00 45.39 ? 249 SER A OG 1 ATOM 1996 N N . LYS A 1 249 ? 37.615 -12.264 -33.449 1.00 48.20 ? 250 LYS A N 1 ATOM 1997 C CA . LYS A 1 249 ? 37.993 -12.839 -32.147 1.00 49.72 ? 250 LYS A CA 1 ATOM 1998 C C . LYS A 1 249 ? 36.848 -12.650 -31.146 1.00 48.59 ? 250 LYS A C 1 ATOM 1999 O O . LYS A 1 249 ? 36.259 -11.578 -31.074 1.00 42.98 ? 250 LYS A O 1 ATOM 2000 C CB . LYS A 1 249 ? 39.306 -12.222 -31.610 1.00 55.86 ? 250 LYS A CB 1 ATOM 2001 C CG . LYS A 1 249 ? 40.499 -13.170 -31.631 1.00 58.68 ? 250 LYS A CG 1 ATOM 2002 C CD . LYS A 1 249 ? 40.482 -14.117 -30.441 1.00 57.93 ? 250 LYS A CD 1 ATOM 2003 C CE . LYS A 1 249 ? 41.317 -13.579 -29.294 1.00 58.92 ? 250 LYS A CE 1 ATOM 2004 N NZ . LYS A 1 249 ? 41.198 -14.464 -28.110 1.00 60.03 ? 250 LYS A NZ 1 ATOM 2005 N N . THR A 1 250 ? 36.580 -13.700 -30.372 1.00 52.86 ? 251 THR A N 1 ATOM 2006 C CA . THR A 1 250 ? 35.358 -13.858 -29.575 1.00 53.87 ? 251 THR A CA 1 ATOM 2007 C C . THR A 1 250 ? 35.557 -14.495 -28.177 1.00 58.03 ? 251 THR A C 1 ATOM 2008 O O . THR A 1 250 ? 34.611 -14.599 -27.390 1.00 52.64 ? 251 THR A O 1 ATOM 2009 C CB . THR A 1 250 ? 34.370 -14.692 -30.412 1.00 56.01 ? 251 THR A CB 1 ATOM 2010 O OG1 . THR A 1 250 ? 33.571 -13.792 -31.193 1.00 61.08 ? 251 THR A OG1 1 ATOM 2011 C CG2 . THR A 1 250 ? 33.446 -15.579 -29.573 1.00 54.52 ? 251 THR A CG2 1 ATOM 2012 N N . ASP A 1 251 ? 36.785 -14.895 -27.860 1.00 64.40 ? 252 ASP A N 1 ATOM 2013 C CA . ASP A 1 251 ? 37.067 -15.639 -26.627 1.00 64.37 ? 252 ASP A CA 1 ATOM 2014 C C . ASP A 1 251 ? 37.924 -14.792 -25.705 1.00 59.09 ? 252 ASP A C 1 ATOM 2015 O O . ASP A 1 251 ? 38.178 -13.619 -25.984 1.00 58.30 ? 252 ASP A O 1 ATOM 2016 C CB . ASP A 1 251 ? 37.725 -17.014 -26.927 1.00 69.78 ? 252 ASP A CB 1 ATOM 2017 C CG . ASP A 1 251 ? 38.681 -16.989 -28.140 1.00 71.07 ? 252 ASP A CG 1 ATOM 2018 O OD1 . ASP A 1 251 ? 39.833 -17.456 -27.989 1.00 69.98 ? 252 ASP A OD1 1 ATOM 2019 O OD2 . ASP A 1 251 ? 38.276 -16.530 -29.240 1.00 60.72 ? 252 ASP A OD2 1 ATOM 2020 N N . VAL A 1 252 ? 38.326 -15.374 -24.585 1.00 59.04 ? 253 VAL A N 1 ATOM 2021 C CA . VAL A 1 252 ? 39.148 -14.672 -23.590 1.00 59.73 ? 253 VAL A CA 1 ATOM 2022 C C . VAL A 1 252 ? 40.138 -13.708 -24.260 1.00 54.57 ? 253 VAL A C 1 ATOM 2023 O O . VAL A 1 252 ? 40.903 -14.126 -25.130 1.00 48.44 ? 253 VAL A O 1 ATOM 2024 C CB . VAL A 1 252 ? 39.943 -15.633 -22.645 1.00 61.55 ? 253 VAL A CB 1 ATOM 2025 C CG1 . VAL A 1 252 ? 39.846 -15.132 -21.197 1.00 62.13 ? 253 VAL A CG1 1 ATOM 2026 C CG2 . VAL A 1 252 ? 39.472 -17.092 -22.739 1.00 57.31 ? 253 VAL A CG2 1 ATOM 2027 N N . GLY A 1 253 ? 40.077 -12.423 -23.872 1.00 50.94 ? 254 GLY A N 1 ATOM 2028 C CA . GLY A 1 253 ? 41.023 -11.388 -24.330 1.00 47.91 ? 254 GLY A CA 1 ATOM 2029 C C . GLY A 1 253 ? 40.689 -10.684 -25.643 1.00 48.34 ? 254 GLY A C 1 ATOM 2030 O O . GLY A 1 253 ? 41.417 -9.754 -26.058 1.00 39.59 ? 254 GLY A O 1 ATOM 2031 N N . ALA A 1 254 ? 39.588 -11.111 -26.284 1.00 44.82 ? 255 ALA A N 1 ATOM 2032 C CA . ALA A 1 254 ? 39.206 -10.641 -27.621 1.00 44.12 ? 255 ALA A CA 1 ATOM 2033 C C . ALA A 1 254 ? 39.001 -9.133 -27.655 1.00 40.98 ? 255 ALA A C 1 ATOM 2034 O O . ALA A 1 254 ? 38.283 -8.616 -26.825 1.00 39.08 ? 255 ALA A O 1 ATOM 2035 C CB . ALA A 1 254 ? 37.954 -11.360 -28.109 1.00 44.64 ? 255 ALA A CB 1 ATOM 2036 N N . PRO A 1 255 ? 39.663 -8.434 -28.603 1.00 40.90 ? 256 PRO A N 1 ATOM 2037 C CA . PRO A 1 255 ? 39.706 -6.978 -28.589 1.00 42.17 ? 256 PRO A CA 1 ATOM 2038 C C . PRO A 1 255 ? 38.365 -6.307 -28.919 1.00 39.71 ? 256 PRO A C 1 ATOM 2039 O O . PRO A 1 255 ? 37.521 -6.921 -29.551 1.00 40.37 ? 256 PRO A O 1 ATOM 2040 C CB . PRO A 1 255 ? 40.785 -6.645 -29.638 1.00 39.48 ? 256 PRO A CB 1 ATOM 2041 C CG . PRO A 1 255 ? 40.806 -7.823 -30.535 1.00 40.26 ? 256 PRO A CG 1 ATOM 2042 C CD . PRO A 1 255 ? 40.527 -8.992 -29.664 1.00 41.56 ? 256 PRO A CD 1 ATOM 2043 N N . ILE A 1 256 ? 38.230 -5.043 -28.509 1.00 39.07 ? 257 ILE A N 1 ATOM 2044 C CA . ILE A 1 256 ? 36.966 -4.306 -28.467 1.00 40.81 ? 257 ILE A CA 1 ATOM 2045 C C . ILE A 1 256 ? 37.099 -2.900 -29.089 1.00 43.56 ? 257 ILE A C 1 ATOM 2046 O O . ILE A 1 256 ? 38.059 -2.191 -28.833 1.00 46.82 ? 257 ILE A O 1 ATOM 2047 C CB . ILE A 1 256 ? 36.454 -4.267 -26.976 1.00 41.50 ? 257 ILE A CB 1 ATOM 2048 C CG1 . ILE A 1 256 ? 35.238 -5.153 -26.803 1.00 39.26 ? 257 ILE A CG1 1 ATOM 2049 C CG2 . ILE A 1 256 ? 36.033 -2.887 -26.475 1.00 39.50 ? 257 ILE A CG2 1 ATOM 2050 C CD1 . ILE A 1 256 ? 35.363 -6.488 -27.471 1.00 40.85 ? 257 ILE A CD1 1 ATOM 2051 N N . SER A 1 257 ? 36.132 -2.519 -29.924 1.00 44.83 ? 258 SER A N 1 ATOM 2052 C CA . SER A 1 257 ? 36.075 -1.177 -30.524 1.00 39.20 ? 258 SER A CA 1 ATOM 2053 C C . SER A 1 257 ? 35.348 -0.241 -29.583 1.00 38.25 ? 258 SER A C 1 ATOM 2054 O O . SER A 1 257 ? 35.483 0.973 -29.676 1.00 41.80 ? 258 SER A O 1 ATOM 2055 C CB . SER A 1 257 ? 35.332 -1.209 -31.873 1.00 39.55 ? 258 SER A CB 1 ATOM 2056 O OG . SER A 1 257 ? 34.052 -0.610 -31.780 1.00 41.63 ? 258 SER A OG 1 ATOM 2057 N N . GLY A 1 258 ? 34.542 -0.815 -28.694 1.00 34.87 ? 259 GLY A N 1 ATOM 2058 C CA . GLY A 1 258 ? 33.834 -0.050 -27.665 1.00 34.27 ? 259 GLY A CA 1 ATOM 2059 C C . GLY A 1 258 ? 32.598 -0.775 -27.133 1.00 30.64 ? 259 GLY A C 1 ATOM 2060 O O . GLY A 1 258 ? 32.485 -1.975 -27.245 1.00 29.45 ? 259 GLY A O 1 ATOM 2061 N N . PRO A 1 259 ? 31.657 -0.041 -26.553 1.00 33.22 ? 260 PRO A N 1 ATOM 2062 C CA . PRO A 1 259 ? 30.423 -0.678 -26.118 1.00 31.68 ? 260 PRO A CA 1 ATOM 2063 C C . PRO A 1 259 ? 29.516 -1.112 -27.253 1.00 32.54 ? 260 PRO A C 1 ATOM 2064 O O . PRO A 1 259 ? 29.712 -0.757 -28.419 1.00 32.66 ? 260 PRO A O 1 ATOM 2065 C CB . PRO A 1 259 ? 29.749 0.377 -25.257 1.00 33.85 ? 260 PRO A CB 1 ATOM 2066 C CG . PRO A 1 259 ? 30.318 1.687 -25.700 1.00 37.99 ? 260 PRO A CG 1 ATOM 2067 C CD . PRO A 1 259 ? 31.714 1.394 -26.193 1.00 38.13 ? 260 PRO A CD 1 ATOM 2068 N N . GLY A 1 260 ? 28.558 -1.953 -26.889 1.00 35.32 ? 261 GLY A N 1 ATOM 2069 C CA . GLY A 1 260 ? 27.593 -2.531 -27.822 1.00 33.21 ? 261 GLY A CA 1 ATOM 2070 C C . GLY A 1 260 ? 26.504 -1.554 -28.181 1.00 32.65 ? 261 GLY A C 1 ATOM 2071 O O . GLY A 1 260 ? 26.243 -0.597 -27.458 1.00 32.58 ? 261 GLY A O 1 ATOM 2072 N N . ILE A 1 261 ? 25.861 -1.786 -29.314 1.00 34.16 ? 262 ILE A N 1 ATOM 2073 C CA . ILE A 1 261 ? 24.838 -0.839 -29.806 1.00 32.57 ? 262 ILE A CA 1 ATOM 2074 C C . ILE A 1 261 ? 23.705 -0.818 -28.805 1.00 29.32 ? 262 ILE A C 1 ATOM 2075 O O . ILE A 1 261 ? 23.490 -1.811 -28.125 1.00 26.82 ? 262 ILE A O 1 ATOM 2076 C CB . ILE A 1 261 ? 24.309 -1.212 -31.225 1.00 32.82 ? 262 ILE A CB 1 ATOM 2077 C CG1 . ILE A 1 261 ? 23.329 -2.401 -31.120 1.00 31.87 ? 262 ILE A CG1 1 ATOM 2078 C CG2 . ILE A 1 261 ? 25.490 -1.441 -32.197 1.00 30.93 ? 262 ILE A CG2 1 ATOM 2079 C CD1 . ILE A 1 261 ? 23.067 -3.151 -32.394 1.00 31.23 ? 262 ILE A CD1 1 ATOM 2080 N N . PRO A 1 262 ? 22.989 0.322 -28.698 1.00 32.36 ? 263 PRO A N 1 ATOM 2081 C CA . PRO A 1 262 ? 21.820 0.411 -27.772 1.00 31.08 ? 263 PRO A CA 1 ATOM 2082 C C . PRO A 1 262 ? 20.760 -0.700 -27.959 1.00 30.98 ? 263 PRO A C 1 ATOM 2083 O O . PRO A 1 262 ? 20.447 -1.108 -29.084 1.00 26.34 ? 263 PRO A O 1 ATOM 2084 C CB . PRO A 1 262 ? 21.224 1.791 -28.089 1.00 29.53 ? 263 PRO A CB 1 ATOM 2085 C CG . PRO A 1 262 ? 22.386 2.593 -28.577 1.00 30.61 ? 263 PRO A CG 1 ATOM 2086 C CD . PRO A 1 262 ? 23.259 1.625 -29.353 1.00 32.03 ? 263 PRO A CD 1 ATOM 2087 N N . GLY A 1 263 ? 20.245 -1.192 -26.838 1.00 34.75 ? 264 GLY A N 1 ATOM 2088 C CA . GLY A 1 263 ? 19.108 -2.100 -26.834 1.00 34.89 ? 264 GLY A CA 1 ATOM 2089 C C . GLY A 1 263 ? 17.881 -1.355 -27.267 1.00 37.26 ? 264 GLY A C 1 ATOM 2090 O O . GLY A 1 263 ? 17.807 -0.118 -27.170 1.00 31.53 ? 264 GLY A O 1 ATOM 2091 N N . ARG A 1 264 ? 16.905 -2.118 -27.729 1.00 40.17 ? 265 ARG A N 1 ATOM 2092 C CA . ARG A 1 264 ? 15.815 -1.515 -28.417 1.00 38.91 ? 265 ARG A CA 1 ATOM 2093 C C . ARG A 1 264 ? 14.958 -0.720 -27.472 1.00 34.05 ? 265 ARG A C 1 ATOM 2094 O O . ARG A 1 264 ? 14.389 0.289 -27.844 1.00 33.85 ? 265 ARG A O 1 ATOM 2095 C CB . ARG A 1 264 ? 15.014 -2.582 -29.096 1.00 41.67 ? 265 ARG A CB 1 ATOM 2096 C CG . ARG A 1 264 ? 14.462 -2.087 -30.404 1.00 46.80 ? 265 ARG A CG 1 ATOM 2097 C CD . ARG A 1 264 ? 13.066 -1.548 -30.237 1.00 50.97 ? 265 ARG A CD 1 ATOM 2098 N NE . ARG A 1 264 ? 12.050 -2.490 -30.693 1.00 54.65 ? 265 ARG A NE 1 ATOM 2099 C CZ . ARG A 1 264 ? 12.071 -3.821 -30.544 1.00 64.82 ? 265 ARG A CZ 1 ATOM 2100 N NH1 . ARG A 1 264 ? 13.057 -4.478 -29.942 1.00 66.54 ? 265 ARG A NH1 1 ATOM 2101 N NH2 . ARG A 1 264 ? 11.061 -4.538 -31.024 1.00 73.40 ? 265 ARG A NH2 1 ATOM 2102 N N . PHE A 1 265 ? 14.864 -1.179 -26.240 1.00 31.75 ? 266 PHE A N 1 ATOM 2103 C CA . PHE A 1 265 ? 13.954 -0.548 -25.283 1.00 31.59 ? 266 PHE A CA 1 ATOM 2104 C C . PHE A 1 265 ? 14.694 0.261 -24.208 1.00 31.47 ? 266 PHE A C 1 ATOM 2105 O O . PHE A 1 265 ? 14.200 1.255 -23.709 1.00 30.89 ? 266 PHE A O 1 ATOM 2106 C CB . PHE A 1 265 ? 13.074 -1.608 -24.649 1.00 31.45 ? 266 PHE A CB 1 ATOM 2107 C CG . PHE A 1 265 ? 12.275 -2.414 -25.638 1.00 31.00 ? 266 PHE A CG 1 ATOM 2108 C CD1 . PHE A 1 265 ? 12.606 -3.734 -25.906 1.00 31.76 ? 266 PHE A CD1 1 ATOM 2109 C CD2 . PHE A 1 265 ? 11.176 -1.850 -26.301 1.00 32.43 ? 266 PHE A CD2 1 ATOM 2110 C CE1 . PHE A 1 265 ? 11.882 -4.486 -26.826 1.00 31.67 ? 266 PHE A CE1 1 ATOM 2111 C CE2 . PHE A 1 265 ? 10.430 -2.593 -27.201 1.00 32.57 ? 266 PHE A CE2 1 ATOM 2112 C CZ . PHE A 1 265 ? 10.795 -3.913 -27.476 1.00 32.71 ? 266 PHE A CZ 1 ATOM 2113 N N . THR A 1 266 ? 15.910 -0.144 -23.892 1.00 30.68 ? 267 THR A N 1 ATOM 2114 C CA . THR A 1 266 ? 16.694 0.560 -22.902 1.00 30.42 ? 267 THR A CA 1 ATOM 2115 C C . THR A 1 266 ? 17.518 1.679 -23.530 1.00 32.02 ? 267 THR A C 1 ATOM 2116 O O . THR A 1 266 ? 17.818 2.666 -22.870 1.00 36.25 ? 267 THR A O 1 ATOM 2117 C CB . THR A 1 266 ? 17.552 -0.446 -22.123 1.00 27.81 ? 267 THR A CB 1 ATOM 2118 O OG1 . THR A 1 266 ? 18.160 -1.350 -23.030 1.00 27.29 ? 267 THR A OG1 1 ATOM 2119 C CG2 . THR A 1 266 ? 16.681 -1.276 -21.249 1.00 26.83 ? 267 THR A CG2 1 ATOM 2120 N N . LYS A 1 267 ? 17.851 1.562 -24.809 1.00 36.86 ? 268 LYS A N 1 ATOM 2121 C CA . LYS A 1 267 ? 18.480 2.665 -25.552 1.00 40.75 ? 268 LYS A CA 1 ATOM 2122 C C . LYS A 1 267 ? 19.655 3.270 -24.796 1.00 41.32 ? 268 LYS A C 1 ATOM 2123 O O . LYS A 1 267 ? 19.717 4.466 -24.535 1.00 34.65 ? 268 LYS A O 1 ATOM 2124 C CB . LYS A 1 267 ? 17.451 3.746 -25.850 1.00 44.28 ? 268 LYS A CB 1 ATOM 2125 C CG . LYS A 1 267 ? 16.369 3.292 -26.809 1.00 50.16 ? 268 LYS A CG 1 ATOM 2126 C CD . LYS A 1 267 ? 14.980 3.620 -26.266 1.00 55.66 ? 268 LYS A CD 1 ATOM 2127 C CE . LYS A 1 267 ? 14.066 4.245 -27.310 1.00 58.29 ? 268 LYS A CE 1 ATOM 2128 N NZ . LYS A 1 267 ? 13.430 5.471 -26.730 1.00 63.83 ? 268 LYS A NZ 1 ATOM 2129 N N . TRP A 1 268 ? 20.577 2.403 -24.420 1.00 47.78 ? 269 TRP A N 1 ATOM 2130 C CA . TRP A 1 268 ? 21.786 2.822 -23.744 1.00 53.32 ? 269 TRP A CA 1 ATOM 2131 C C . TRP A 1 268 ? 22.937 2.013 -24.321 1.00 48.80 ? 269 TRP A C 1 ATOM 2132 O O . TRP A 1 268 ? 22.942 0.780 -24.252 1.00 52.60 ? 269 TRP A O 1 ATOM 2133 C CB . TRP A 1 268 ? 21.656 2.618 -22.230 1.00 61.06 ? 269 TRP A CB 1 ATOM 2134 C CG . TRP A 1 268 ? 22.854 3.128 -21.471 1.00 77.56 ? 269 TRP A CG 1 ATOM 2135 C CD1 . TRP A 1 268 ? 23.712 2.394 -20.698 1.00 87.61 ? 269 TRP A CD1 1 ATOM 2136 C CD2 . TRP A 1 268 ? 23.358 4.477 -21.453 1.00 91.50 ? 269 TRP A CD2 1 ATOM 2137 N NE1 . TRP A 1 268 ? 24.709 3.201 -20.184 1.00 92.12 ? 269 TRP A NE1 1 ATOM 2138 C CE2 . TRP A 1 268 ? 24.516 4.483 -20.631 1.00 95.84 ? 269 TRP A CE2 1 ATOM 2139 C CE3 . TRP A 1 268 ? 22.941 5.684 -22.043 1.00 95.49 ? 269 TRP A CE3 1 ATOM 2140 C CZ2 . TRP A 1 268 ? 25.257 5.651 -20.378 1.00 97.57 ? 269 TRP A CZ2 1 ATOM 2141 C CZ3 . TRP A 1 268 ? 23.681 6.844 -21.794 1.00 97.12 ? 269 TRP A CZ3 1 ATOM 2142 C CH2 . TRP A 1 268 ? 24.824 6.816 -20.966 1.00 98.51 ? 269 TRP A CH2 1 ATOM 2143 N N . LYS A 1 269 ? 23.892 2.684 -24.937 1.00 43.19 ? 270 LYS A N 1 ATOM 2144 C CA . LYS A 1 269 ? 25.086 1.983 -25.383 1.00 43.95 ? 270 LYS A CA 1 ATOM 2145 C C . LYS A 1 269 ? 25.753 1.233 -24.207 1.00 39.50 ? 270 LYS A C 1 ATOM 2146 O O . LYS A 1 269 ? 25.948 1.815 -23.144 1.00 40.87 ? 270 LYS A O 1 ATOM 2147 C CB . LYS A 1 269 ? 26.064 2.974 -26.004 1.00 50.46 ? 270 LYS A CB 1 ATOM 2148 C CG . LYS A 1 269 ? 26.426 4.142 -25.097 1.00 55.42 ? 270 LYS A CG 1 ATOM 2149 C CD . LYS A 1 269 ? 27.572 4.968 -25.660 1.00 63.12 ? 270 LYS A CD 1 ATOM 2150 C CE . LYS A 1 269 ? 27.079 6.100 -26.551 1.00 65.35 ? 270 LYS A CE 1 ATOM 2151 N NZ . LYS A 1 269 ? 28.245 6.810 -27.143 1.00 68.80 ? 270 LYS A NZ 1 ATOM 2152 N N . GLY A 1 270 ? 26.051 -0.061 -24.373 1.00 36.17 ? 271 GLY A N 1 ATOM 2153 C CA . GLY A 1 270 ? 26.781 -0.863 -23.346 1.00 33.61 ? 271 GLY A CA 1 ATOM 2154 C C . GLY A 1 270 ? 25.972 -1.723 -22.360 1.00 30.21 ? 271 GLY A C 1 ATOM 2155 O O . GLY A 1 270 ? 26.536 -2.491 -21.572 1.00 25.83 ? 271 GLY A O 1 ATOM 2156 N N . ILE A 1 271 ? 24.655 -1.605 -22.390 1.00 28.60 ? 272 ILE A N 1 ATOM 2157 C CA . ILE A 1 271 ? 23.841 -2.299 -21.420 1.00 30.18 ? 272 ILE A CA 1 ATOM 2158 C C . ILE A 1 271 ? 22.661 -2.922 -22.147 1.00 29.45 ? 272 ILE A C 1 ATOM 2159 O O . ILE A 1 271 ? 22.233 -2.383 -23.177 1.00 30.00 ? 272 ILE A O 1 ATOM 2160 C CB . ILE A 1 271 ? 23.399 -1.316 -20.321 1.00 34.84 ? 272 ILE A CB 1 ATOM 2161 C CG1 . ILE A 1 271 ? 24.561 -1.139 -19.304 1.00 38.17 ? 272 ILE A CG1 1 ATOM 2162 C CG2 . ILE A 1 271 ? 22.036 -1.702 -19.730 1.00 36.88 ? 272 ILE A CG2 1 ATOM 2163 C CD1 . ILE A 1 271 ? 24.225 -1.277 -17.824 1.00 40.20 ? 272 ILE A CD1 1 ATOM 2164 N N . LEU A 1 272 ? 22.178 -4.064 -21.641 1.00 27.83 ? 273 LEU A N 1 ATOM 2165 C CA . LEU A 1 272 ? 20.930 -4.696 -22.130 1.00 29.21 ? 273 LEU A CA 1 ATOM 2166 C C . LEU A 1 272 ? 20.136 -5.285 -20.951 1.00 30.08 ? 273 LEU A C 1 ATOM 2167 O O . LEU A 1 272 ? 20.717 -5.857 -20.028 1.00 28.91 ? 273 LEU A O 1 ATOM 2168 C CB . LEU A 1 272 ? 21.197 -5.818 -23.152 1.00 28.82 ? 273 LEU A CB 1 ATOM 2169 C CG . LEU A 1 272 ? 21.842 -5.446 -24.473 1.00 32.67 ? 273 LEU A CG 1 ATOM 2170 C CD1 . LEU A 1 272 ? 22.131 -6.680 -25.310 1.00 32.91 ? 273 LEU A CD1 1 ATOM 2171 C CD2 . LEU A 1 272 ? 20.926 -4.542 -25.265 1.00 35.96 ? 273 LEU A CD2 1 ATOM 2172 N N . ALA A 1 273 ? 18.807 -5.163 -21.014 1.00 29.96 ? 274 ALA A N 1 ATOM 2173 C CA . ALA A 1 273 ? 17.928 -5.816 -20.075 1.00 30.81 ? 274 ALA A CA 1 ATOM 2174 C C . ALA A 1 273 ? 17.837 -7.293 -20.415 1.00 28.91 ? 274 ALA A C 1 ATOM 2175 O O . ALA A 1 273 ? 18.091 -7.707 -21.563 1.00 27.98 ? 274 ALA A O 1 ATOM 2176 C CB . ALA A 1 273 ? 16.546 -5.179 -20.116 1.00 33.02 ? 274 ALA A CB 1 ATOM 2177 N N . TYR A 1 274 ? 17.447 -8.091 -19.432 1.00 27.99 ? 275 TYR A N 1 ATOM 2178 C CA . TYR A 1 274 ? 17.392 -9.536 -19.668 1.00 32.12 ? 275 TYR A CA 1 ATOM 2179 C C . TYR A 1 274 ? 16.380 -9.853 -20.773 1.00 31.61 ? 275 TYR A C 1 ATOM 2180 O O . TYR A 1 274 ? 16.591 -10.803 -21.523 1.00 31.82 ? 275 TYR A O 1 ATOM 2181 C CB . TYR A 1 274 ? 17.060 -10.339 -18.398 1.00 33.69 ? 275 TYR A CB 1 ATOM 2182 C CG . TYR A 1 274 ? 17.101 -11.855 -18.610 1.00 36.12 ? 275 TYR A CG 1 ATOM 2183 C CD1 . TYR A 1 274 ? 18.286 -12.488 -18.973 1.00 33.80 ? 275 TYR A CD1 1 ATOM 2184 C CD2 . TYR A 1 274 ? 15.963 -12.654 -18.418 1.00 35.55 ? 275 TYR A CD2 1 ATOM 2185 C CE1 . TYR A 1 274 ? 18.341 -13.844 -19.173 1.00 32.30 ? 275 TYR A CE1 1 ATOM 2186 C CE2 . TYR A 1 274 ? 16.023 -14.021 -18.600 1.00 34.91 ? 275 TYR A CE2 1 ATOM 2187 C CZ . TYR A 1 274 ? 17.222 -14.610 -18.971 1.00 35.69 ? 275 TYR A CZ 1 ATOM 2188 O OH . TYR A 1 274 ? 17.310 -15.985 -19.186 1.00 37.53 ? 275 TYR A OH 1 ATOM 2189 N N . TYR A 1 275 ? 15.296 -9.065 -20.873 1.00 28.23 ? 276 TYR A N 1 ATOM 2190 C CA . TYR A 1 275 ? 14.307 -9.317 -21.906 1.00 26.04 ? 276 TYR A CA 1 ATOM 2191 C C . TYR A 1 275 ? 14.854 -9.058 -23.311 1.00 27.61 ? 276 TYR A C 1 ATOM 2192 O O . TYR A 1 275 ? 14.470 -9.747 -24.274 1.00 27.77 ? 276 TYR A O 1 ATOM 2193 C CB . TYR A 1 275 ? 12.960 -8.617 -21.619 1.00 26.07 ? 276 TYR A CB 1 ATOM 2194 C CG . TYR A 1 275 ? 12.958 -7.091 -21.499 1.00 24.56 ? 276 TYR A CG 1 ATOM 2195 C CD1 . TYR A 1 275 ? 13.001 -6.286 -22.627 1.00 24.31 ? 276 TYR A CD1 1 ATOM 2196 C CD2 . TYR A 1 275 ? 12.893 -6.466 -20.254 1.00 24.39 ? 276 TYR A CD2 1 ATOM 2197 C CE1 . TYR A 1 275 ? 13.002 -4.897 -22.504 1.00 25.88 ? 276 TYR A CE1 1 ATOM 2198 C CE2 . TYR A 1 275 ? 12.903 -5.074 -20.124 1.00 24.18 ? 276 TYR A CE2 1 ATOM 2199 C CZ . TYR A 1 275 ? 12.961 -4.307 -21.249 1.00 23.83 ? 276 TYR A CZ 1 ATOM 2200 O OH . TYR A 1 275 ? 12.946 -2.948 -21.177 1.00 25.04 ? 276 TYR A OH 1 ATOM 2201 N N . GLU A 1 276 ? 15.772 -8.092 -23.431 1.00 28.47 ? 277 GLU A N 1 ATOM 2202 C CA . GLU A 1 276 ? 16.398 -7.742 -24.735 1.00 29.20 ? 277 GLU A CA 1 ATOM 2203 C C . GLU A 1 276 ? 17.528 -8.713 -25.022 1.00 29.93 ? 277 GLU A C 1 ATOM 2204 O O . GLU A 1 276 ? 17.924 -8.933 -26.162 1.00 30.17 ? 277 GLU A O 1 ATOM 2205 C CB . GLU A 1 276 ? 16.999 -6.321 -24.710 1.00 30.35 ? 277 GLU A CB 1 ATOM 2206 C CG . GLU A 1 276 ? 16.022 -5.209 -24.350 1.00 29.87 ? 277 GLU A CG 1 ATOM 2207 C CD . GLU A 1 276 ? 16.663 -3.850 -24.212 1.00 31.17 ? 277 GLU A CD 1 ATOM 2208 O OE1 . GLU A 1 276 ? 17.513 -3.674 -23.290 1.00 34.02 ? 277 GLU A OE1 1 ATOM 2209 O OE2 . GLU A 1 276 ? 16.278 -2.937 -24.991 1.00 32.20 ? 277 GLU A OE2 1 ATOM 2210 N N . ILE A 1 277 ? 18.066 -9.288 -23.961 1.00 30.24 ? 278 ILE A N 1 ATOM 2211 C CA . ILE A 1 277 ? 19.006 -10.393 -24.100 1.00 30.06 ? 278 ILE A CA 1 ATOM 2212 C C . ILE A 1 277 ? 18.375 -11.693 -24.596 1.00 28.65 ? 278 ILE A C 1 ATOM 2213 O O . ILE A 1 277 ? 18.927 -12.331 -25.491 1.00 30.26 ? 278 ILE A O 1 ATOM 2214 C CB . ILE A 1 277 ? 19.716 -10.620 -22.775 1.00 31.87 ? 278 ILE A CB 1 ATOM 2215 C CG1 . ILE A 1 277 ? 20.936 -9.718 -22.691 1.00 30.70 ? 278 ILE A CG1 1 ATOM 2216 C CG2 . ILE A 1 277 ? 20.105 -12.079 -22.604 1.00 34.70 ? 278 ILE A CG2 1 ATOM 2217 C CD1 . ILE A 1 277 ? 21.342 -9.484 -21.263 1.00 34.43 ? 278 ILE A CD1 1 ATOM 2218 N N . CYS A 1 278 ? 17.238 -12.106 -24.050 1.00 28.97 ? 279 CYS A N 1 ATOM 2219 C CA . CYS A 1 278 ? 16.592 -13.326 -24.570 1.00 32.10 ? 279 CYS A CA 1 ATOM 2220 C C . CYS A 1 278 ? 16.281 -13.235 -26.058 1.00 30.52 ? 279 CYS A C 1 ATOM 2221 O O . CYS A 1 278 ? 16.212 -14.259 -26.734 1.00 25.13 ? 279 CYS A O 1 ATOM 2222 C CB . CYS A 1 278 ? 15.308 -13.657 -23.853 1.00 33.69 ? 279 CYS A CB 1 ATOM 2223 S SG . CYS A 1 278 ? 15.515 -14.089 -22.127 1.00 40.45 ? 279 CYS A SG 1 ATOM 2224 N N . ASP A 1 279 ? 16.085 -12.009 -26.543 1.00 31.85 ? 280 ASP A N 1 ATOM 2225 C CA . ASP A 1 279 ? 15.818 -11.792 -27.938 1.00 34.60 ? 280 ASP A CA 1 ATOM 2226 C C . ASP A 1 279 ? 17.087 -11.802 -28.758 1.00 34.84 ? 280 ASP A C 1 ATOM 2227 O O . ASP A 1 279 ? 17.104 -12.318 -29.887 1.00 41.27 ? 280 ASP A O 1 ATOM 2228 C CB . ASP A 1 279 ? 15.042 -10.494 -28.176 1.00 40.28 ? 280 ASP A CB 1 ATOM 2229 C CG . ASP A 1 279 ? 14.297 -10.529 -29.501 1.00 47.59 ? 280 ASP A CG 1 ATOM 2230 O OD1 . ASP A 1 279 ? 13.369 -11.388 -29.580 1.00 53.00 ? 280 ASP A OD1 1 ATOM 2231 O OD2 . ASP A 1 279 ? 14.672 -9.784 -30.468 1.00 42.14 ? 280 ASP A OD2 1 ATOM 2232 N N . PHE A 1 280 ? 18.143 -11.227 -28.191 1.00 33.19 ? 281 PHE A N 1 ATOM 2233 C CA . PHE A 1 280 ? 19.475 -11.306 -28.772 1.00 31.77 ? 281 PHE A CA 1 ATOM 2234 C C . PHE A 1 280 ? 20.003 -12.746 -28.937 1.00 34.53 ? 281 PHE A C 1 ATOM 2235 O O . PHE A 1 280 ? 20.808 -13.028 -29.869 1.00 32.74 ? 281 PHE A O 1 ATOM 2236 C CB . PHE A 1 280 ? 20.439 -10.477 -27.919 1.00 32.88 ? 281 PHE A CB 1 ATOM 2237 C CG . PHE A 1 280 ? 21.893 -10.555 -28.361 1.00 31.51 ? 281 PHE A CG 1 ATOM 2238 C CD1 . PHE A 1 280 ? 22.462 -9.545 -29.117 1.00 29.66 ? 281 PHE A CD1 1 ATOM 2239 C CD2 . PHE A 1 280 ? 22.694 -11.640 -27.986 1.00 29.99 ? 281 PHE A CD2 1 ATOM 2240 C CE1 . PHE A 1 280 ? 23.777 -9.617 -29.504 1.00 31.04 ? 281 PHE A CE1 1 ATOM 2241 C CE2 . PHE A 1 280 ? 24.020 -11.722 -28.379 1.00 29.77 ? 281 PHE A CE2 1 ATOM 2242 C CZ . PHE A 1 280 ? 24.561 -10.715 -29.145 1.00 31.55 ? 281 PHE A CZ 1 ATOM 2243 N N . LEU A 1 281 ? 19.580 -13.652 -28.042 1.00 33.71 ? 282 LEU A N 1 ATOM 2244 C CA . LEU A 1 281 ? 20.055 -15.043 -28.069 1.00 31.89 ? 282 LEU A CA 1 ATOM 2245 C C . LEU A 1 281 ? 19.664 -15.802 -29.335 1.00 35.02 ? 282 LEU A C 1 ATOM 2246 O O . LEU A 1 281 ? 20.450 -16.641 -29.831 1.00 32.32 ? 282 LEU A O 1 ATOM 2247 C CB . LEU A 1 281 ? 19.610 -15.791 -26.818 1.00 31.81 ? 282 LEU A CB 1 ATOM 2248 C CG . LEU A 1 281 ? 20.646 -16.126 -25.751 1.00 33.14 ? 282 LEU A CG 1 ATOM 2249 C CD1 . LEU A 1 281 ? 21.793 -15.101 -25.658 1.00 34.28 ? 282 LEU A CD1 1 ATOM 2250 C CD2 . LEU A 1 281 ? 19.973 -16.362 -24.390 1.00 34.22 ? 282 LEU A CD2 1 ATOM 2251 N N . HIS A 1 282 ? 18.492 -15.464 -29.891 1.00 39.01 ? 283 HIS A N 1 ATOM 2252 C CA . HIS A 1 282 ? 18.040 -16.074 -31.137 1.00 40.25 ? 283 HIS A CA 1 ATOM 2253 C C . HIS A 1 282 ? 19.038 -15.707 -32.205 1.00 38.90 ? 283 HIS A C 1 ATOM 2254 O O . HIS A 1 282 ? 19.190 -14.551 -32.563 1.00 37.02 ? 283 HIS A O 1 ATOM 2255 C CB . HIS A 1 282 ? 16.595 -15.671 -31.517 1.00 43.62 ? 283 HIS A CB 1 ATOM 2256 C CG . HIS A 1 282 ? 15.573 -16.119 -30.506 1.00 49.37 ? 283 HIS A CG 1 ATOM 2257 N ND1 . HIS A 1 282 ? 14.734 -15.244 -29.849 1.00 48.16 ? 283 HIS A ND1 1 ATOM 2258 C CD2 . HIS A 1 282 ? 15.307 -17.343 -29.987 1.00 52.61 ? 283 HIS A CD2 1 ATOM 2259 C CE1 . HIS A 1 282 ? 13.974 -15.907 -28.996 1.00 48.58 ? 283 HIS A CE1 1 ATOM 2260 N NE2 . HIS A 1 282 ? 14.305 -17.184 -29.057 1.00 49.61 ? 283 HIS A NE2 1 ATOM 2261 N N . GLY A 1 283 ? 19.739 -16.717 -32.701 1.00 40.64 ? 284 GLY A N 1 ATOM 2262 C CA . GLY A 1 283 ? 20.731 -16.515 -33.739 1.00 38.52 ? 284 GLY A CA 1 ATOM 2263 C C . GLY A 1 283 ? 22.121 -16.321 -33.181 1.00 37.59 ? 284 GLY A C 1 ATOM 2264 O O . GLY A 1 283 ? 23.053 -16.147 -33.975 1.00 36.16 ? 284 GLY A O 1 ATOM 2265 N N . ALA A 1 284 ? 22.256 -16.375 -31.840 1.00 35.78 ? 285 ALA A N 1 ATOM 2266 C CA . ALA A 1 284 ? 23.549 -16.201 -31.163 1.00 38.11 ? 285 ALA A CA 1 ATOM 2267 C C . ALA A 1 284 ? 24.316 -17.499 -30.978 1.00 41.24 ? 285 ALA A C 1 ATOM 2268 O O . ALA A 1 284 ? 23.762 -18.614 -31.023 1.00 44.62 ? 285 ALA A O 1 ATOM 2269 C CB . ALA A 1 284 ? 23.359 -15.558 -29.797 1.00 38.22 ? 285 ALA A CB 1 ATOM 2270 N N . THR A 1 285 ? 25.610 -17.339 -30.756 1.00 43.14 ? 286 THR A N 1 ATOM 2271 C CA . THR A 1 285 ? 26.425 -18.416 -30.201 1.00 44.99 ? 286 THR A CA 1 ATOM 2272 C C . THR A 1 285 ? 26.585 -18.237 -28.675 1.00 39.39 ? 286 THR A C 1 ATOM 2273 O O . THR A 1 285 ? 26.962 -17.164 -28.163 1.00 37.49 ? 286 THR A O 1 ATOM 2274 C CB . THR A 1 285 ? 27.794 -18.513 -30.922 1.00 48.18 ? 286 THR A CB 1 ATOM 2275 O OG1 . THR A 1 285 ? 27.575 -18.572 -32.345 1.00 46.74 ? 286 THR A OG1 1 ATOM 2276 C CG2 . THR A 1 285 ? 28.562 -19.770 -30.470 1.00 45.39 ? 286 THR A CG2 1 ATOM 2277 N N . THR A 1 286 ? 26.307 -19.308 -27.961 1.00 36.73 ? 287 THR A N 1 ATOM 2278 C CA . THR A 1 286 ? 26.261 -19.277 -26.507 1.00 37.00 ? 287 THR A CA 1 ATOM 2279 C C . THR A 1 286 ? 27.466 -19.978 -25.867 1.00 35.83 ? 287 THR A C 1 ATOM 2280 O O . THR A 1 286 ? 27.863 -21.046 -26.307 1.00 38.30 ? 287 THR A O 1 ATOM 2281 C CB . THR A 1 286 ? 24.950 -19.917 -26.050 1.00 38.08 ? 287 THR A CB 1 ATOM 2282 O OG1 . THR A 1 286 ? 24.745 -21.156 -26.738 1.00 40.31 ? 287 THR A OG1 1 ATOM 2283 C CG2 . THR A 1 286 ? 23.820 -19.031 -26.441 1.00 38.50 ? 287 THR A CG2 1 ATOM 2284 N N . HIS A 1 287 ? 28.066 -19.364 -24.851 1.00 34.54 ? 288 HIS A N 1 ATOM 2285 C CA . HIS A 1 287 ? 29.204 -19.972 -24.139 1.00 36.68 ? 288 HIS A CA 1 ATOM 2286 C C . HIS A 1 287 ? 29.124 -19.724 -22.634 1.00 36.14 ? 288 HIS A C 1 ATOM 2287 O O . HIS A 1 287 ? 28.407 -18.866 -22.150 1.00 36.36 ? 288 HIS A O 1 ATOM 2288 C CB . HIS A 1 287 ? 30.554 -19.418 -24.622 1.00 37.97 ? 288 HIS A CB 1 ATOM 2289 C CG . HIS A 1 287 ? 30.754 -19.468 -26.106 1.00 41.92 ? 288 HIS A CG 1 ATOM 2290 N ND1 . HIS A 1 287 ? 31.083 -20.628 -26.791 1.00 44.64 ? 288 HIS A ND1 1 ATOM 2291 C CD2 . HIS A 1 287 ? 30.711 -18.485 -27.035 1.00 43.28 ? 288 HIS A CD2 1 ATOM 2292 C CE1 . HIS A 1 287 ? 31.202 -20.358 -28.081 1.00 42.99 ? 288 HIS A CE1 1 ATOM 2293 N NE2 . HIS A 1 287 ? 30.997 -19.062 -28.253 1.00 43.45 ? 288 HIS A NE2 1 ATOM 2294 N N . ARG A 1 288 ? 29.893 -20.475 -21.891 1.00 37.95 ? 289 ARG A N 1 ATOM 2295 C CA . ARG A 1 288 ? 29.888 -20.337 -20.460 1.00 42.22 ? 289 ARG A CA 1 ATOM 2296 C C . ARG A 1 288 ? 31.336 -20.362 -19.992 1.00 41.26 ? 289 ARG A C 1 ATOM 2297 O O . ARG A 1 288 ? 32.068 -21.318 -20.260 1.00 36.41 ? 289 ARG A O 1 ATOM 2298 C CB . ARG A 1 288 ? 29.062 -21.467 -19.824 1.00 44.08 ? 289 ARG A CB 1 ATOM 2299 C CG . ARG A 1 288 ? 29.015 -21.436 -18.292 1.00 49.21 ? 289 ARG A CG 1 ATOM 2300 C CD . ARG A 1 288 ? 27.761 -22.105 -17.717 1.00 51.38 ? 289 ARG A CD 1 ATOM 2301 N NE . ARG A 1 288 ? 26.538 -21.495 -18.265 1.00 46.37 ? 289 ARG A NE 1 ATOM 2302 C CZ . ARG A 1 288 ? 25.557 -20.910 -17.572 1.00 42.29 ? 289 ARG A CZ 1 ATOM 2303 N NH1 . ARG A 1 288 ? 25.548 -20.868 -16.239 1.00 38.71 ? 289 ARG A NH1 1 ATOM 2304 N NH2 . ARG A 1 288 ? 24.549 -20.359 -18.251 1.00 38.84 ? 289 ARG A NH2 1 ATOM 2305 N N . PHE A 1 289 ? 31.755 -19.300 -19.321 1.00 40.61 ? 290 PHE A N 1 ATOM 2306 C CA . PHE A 1 289 ? 33.036 -19.343 -18.613 1.00 42.08 ? 290 PHE A CA 1 ATOM 2307 C C . PHE A 1 289 ? 32.880 -20.411 -17.552 1.00 42.52 ? 290 PHE A C 1 ATOM 2308 O O . PHE A 1 289 ? 32.151 -20.236 -16.595 1.00 44.25 ? 290 PHE A O 1 ATOM 2309 C CB . PHE A 1 289 ? 33.388 -18.008 -17.959 1.00 39.85 ? 290 PHE A CB 1 ATOM 2310 C CG . PHE A 1 289 ? 33.645 -16.887 -18.927 1.00 39.41 ? 290 PHE A CG 1 ATOM 2311 C CD1 . PHE A 1 289 ? 34.791 -16.877 -19.723 1.00 40.83 ? 290 PHE A CD1 1 ATOM 2312 C CD2 . PHE A 1 289 ? 32.748 -15.819 -19.026 1.00 40.95 ? 290 PHE A CD2 1 ATOM 2313 C CE1 . PHE A 1 289 ? 35.044 -15.834 -20.599 1.00 42.64 ? 290 PHE A CE1 1 ATOM 2314 C CE2 . PHE A 1 289 ? 32.990 -14.768 -19.893 1.00 41.56 ? 290 PHE A CE2 1 ATOM 2315 C CZ . PHE A 1 289 ? 34.136 -14.777 -20.681 1.00 46.92 ? 290 PHE A CZ 1 ATOM 2316 N N . ARG A 1 290 ? 33.527 -21.543 -17.765 1.00 49.71 ? 291 ARG A N 1 ATOM 2317 C CA . ARG A 1 290 ? 33.471 -22.670 -16.829 1.00 56.29 ? 291 ARG A CA 1 ATOM 2318 C C . ARG A 1 290 ? 33.825 -22.198 -15.404 1.00 50.47 ? 291 ARG A C 1 ATOM 2319 O O . ARG A 1 290 ? 32.981 -22.147 -14.523 1.00 52.29 ? 291 ARG A O 1 ATOM 2320 C CB . ARG A 1 290 ? 34.425 -23.778 -17.342 1.00 63.96 ? 291 ARG A CB 1 ATOM 2321 C CG . ARG A 1 290 ? 34.211 -25.160 -16.744 1.00 69.04 ? 291 ARG A CG 1 ATOM 2322 C CD . ARG A 1 290 ? 35.330 -25.603 -15.811 1.00 76.13 ? 291 ARG A CD 1 ATOM 2323 N NE . ARG A 1 290 ? 36.185 -26.654 -16.381 1.00 80.54 ? 291 ARG A NE 1 ATOM 2324 C CZ . ARG A 1 290 ? 36.933 -27.496 -15.658 1.00 84.66 ? 291 ARG A CZ 1 ATOM 2325 N NH1 . ARG A 1 290 ? 36.948 -27.427 -14.324 1.00 78.39 ? 291 ARG A NH1 1 ATOM 2326 N NH2 . ARG A 1 290 ? 37.670 -28.425 -16.268 1.00 88.16 ? 291 ARG A NH2 1 ATOM 2327 N N . ASP A 1 291 ? 35.035 -21.684 -15.228 1.00 46.57 ? 292 ASP A N 1 ATOM 2328 C CA . ASP A 1 291 ? 35.497 -21.268 -13.901 1.00 49.53 ? 292 ASP A CA 1 ATOM 2329 C C . ASP A 1 291 ? 34.693 -20.152 -13.196 1.00 45.84 ? 292 ASP A C 1 ATOM 2330 O O . ASP A 1 291 ? 34.475 -20.232 -11.987 1.00 40.10 ? 292 ASP A O 1 ATOM 2331 C CB . ASP A 1 291 ? 36.977 -20.875 -13.958 1.00 54.41 ? 292 ASP A CB 1 ATOM 2332 C CG . ASP A 1 291 ? 37.264 -19.841 -15.030 1.00 59.32 ? 292 ASP A CG 1 ATOM 2333 O OD1 . ASP A 1 291 ? 38.172 -20.074 -15.854 1.00 65.34 ? 292 ASP A OD1 1 ATOM 2334 O OD2 . ASP A 1 291 ? 36.581 -18.795 -15.047 1.00 65.89 ? 292 ASP A OD2 1 ATOM 2335 N N . GLN A 1 292 ? 34.263 -19.120 -13.922 1.00 42.51 ? 293 GLN A N 1 ATOM 2336 C CA . GLN A 1 292 ? 33.605 -17.991 -13.295 1.00 42.66 ? 293 GLN A CA 1 ATOM 2337 C C . GLN A 1 292 ? 32.098 -18.237 -13.164 1.00 43.26 ? 293 GLN A C 1 ATOM 2338 O O . GLN A 1 292 ? 31.379 -17.465 -12.481 1.00 38.93 ? 293 GLN A O 1 ATOM 2339 C CB . GLN A 1 292 ? 33.855 -16.719 -14.152 1.00 43.42 ? 293 GLN A CB 1 ATOM 2340 C CG . GLN A 1 292 ? 35.335 -16.309 -14.347 1.00 40.13 ? 293 GLN A CG 1 ATOM 2341 C CD . GLN A 1 292 ? 35.558 -15.416 -15.554 1.00 42.12 ? 293 GLN A CD 1 ATOM 2342 O OE1 . GLN A 1 292 ? 35.371 -14.209 -15.488 1.00 47.17 ? 293 GLN A OE1 1 ATOM 2343 N NE2 . GLN A 1 292 ? 35.974 -16.001 -16.664 1.00 44.72 ? 293 GLN A NE2 1 ATOM 2344 N N . GLN A 1 293 ? 31.630 -19.284 -13.862 1.00 41.99 ? 294 GLN A N 1 ATOM 2345 C CA . GLN A 1 293 ? 30.271 -19.829 -13.734 1.00 38.23 ? 294 GLN A CA 1 ATOM 2346 C C . GLN A 1 293 ? 29.179 -18.850 -14.133 1.00 35.45 ? 294 GLN A C 1 ATOM 2347 O O . GLN A 1 293 ? 28.131 -18.765 -13.487 1.00 36.29 ? 294 GLN A O 1 ATOM 2348 C CB . GLN A 1 293 ? 30.039 -20.366 -12.320 1.00 36.13 ? 294 GLN A CB 1 ATOM 2349 C CG . GLN A 1 293 ? 31.121 -21.350 -11.923 1.00 35.99 ? 294 GLN A CG 1 ATOM 2350 C CD . GLN A 1 293 ? 31.041 -21.860 -10.498 1.00 34.12 ? 294 GLN A CD 1 ATOM 2351 O OE1 . GLN A 1 293 ? 31.915 -22.625 -10.077 1.00 41.33 ? 294 GLN A OE1 1 ATOM 2352 N NE2 . GLN A 1 293 ? 30.052 -21.451 -9.755 1.00 28.72 ? 294 GLN A NE2 1 ATOM 2353 N N . VAL A 1 294 ? 29.420 -18.165 -15.236 1.00 31.33 ? 295 VAL A N 1 ATOM 2354 C CA . VAL A 1 294 ? 28.496 -17.185 -15.776 1.00 31.44 ? 295 VAL A CA 1 ATOM 2355 C C . VAL A 1 294 ? 28.632 -17.212 -17.289 1.00 30.54 ? 295 VAL A C 1 ATOM 2356 O O . VAL A 1 294 ? 29.734 -17.493 -17.803 1.00 32.08 ? 295 VAL A O 1 ATOM 2357 C CB . VAL A 1 294 ? 28.828 -15.761 -15.294 1.00 32.80 ? 295 VAL A CB 1 ATOM 2358 C CG1 . VAL A 1 294 ? 28.266 -15.489 -13.896 1.00 29.74 ? 295 VAL A CG1 1 ATOM 2359 C CG2 . VAL A 1 294 ? 30.340 -15.537 -15.349 1.00 32.24 ? 295 VAL A CG2 1 ATOM 2360 N N . PRO A 1 295 ? 27.537 -16.920 -18.009 1.00 28.49 ? 296 PRO A N 1 ATOM 2361 C CA . PRO A 1 295 ? 27.494 -17.080 -19.458 1.00 27.26 ? 296 PRO A CA 1 ATOM 2362 C C . PRO A 1 295 ? 27.740 -15.829 -20.246 1.00 25.74 ? 296 PRO A C 1 ATOM 2363 O O . PRO A 1 295 ? 27.660 -14.709 -19.732 1.00 23.06 ? 296 PRO A O 1 ATOM 2364 C CB . PRO A 1 295 ? 26.058 -17.497 -19.700 1.00 28.47 ? 296 PRO A CB 1 ATOM 2365 C CG . PRO A 1 295 ? 25.313 -16.649 -18.694 1.00 30.80 ? 296 PRO A CG 1 ATOM 2366 C CD . PRO A 1 295 ? 26.198 -16.611 -17.469 1.00 30.82 ? 296 PRO A CD 1 ATOM 2367 N N . TYR A 1 296 ? 28.016 -16.043 -21.523 1.00 26.64 ? 297 TYR A N 1 ATOM 2368 C CA . TYR A 1 296 ? 28.099 -14.961 -22.478 1.00 26.81 ? 297 TYR A CA 1 ATOM 2369 C C . TYR A 1 296 ? 27.623 -15.424 -23.837 1.00 25.74 ? 297 TYR A C 1 ATOM 2370 O O . TYR A 1 296 ? 27.418 -16.626 -24.076 1.00 22.01 ? 297 TYR A O 1 ATOM 2371 C CB . TYR A 1 296 ? 29.512 -14.377 -22.531 1.00 29.21 ? 297 TYR A CB 1 ATOM 2372 C CG . TYR A 1 296 ? 30.603 -15.220 -23.183 1.00 32.58 ? 297 TYR A CG 1 ATOM 2373 C CD1 . TYR A 1 296 ? 31.440 -16.051 -22.412 1.00 34.65 ? 297 TYR A CD1 1 ATOM 2374 C CD2 . TYR A 1 296 ? 30.868 -15.118 -24.553 1.00 34.40 ? 297 TYR A CD2 1 ATOM 2375 C CE1 . TYR A 1 296 ? 32.480 -16.782 -22.993 1.00 34.34 ? 297 TYR A CE1 1 ATOM 2376 C CE2 . TYR A 1 296 ? 31.894 -15.860 -25.154 1.00 36.08 ? 297 TYR A CE2 1 ATOM 2377 C CZ . TYR A 1 296 ? 32.704 -16.689 -24.370 1.00 39.40 ? 297 TYR A CZ 1 ATOM 2378 O OH . TYR A 1 296 ? 33.722 -17.445 -24.967 1.00 40.89 ? 297 TYR A OH 1 ATOM 2379 N N . ALA A 1 297 ? 27.397 -14.450 -24.710 1.00 26.90 ? 298 ALA A N 1 ATOM 2380 C CA . ALA A 1 297 ? 26.776 -14.720 -25.999 1.00 27.58 ? 298 ALA A CA 1 ATOM 2381 C C . ALA A 1 297 ? 27.353 -13.812 -27.055 1.00 27.81 ? 298 ALA A C 1 ATOM 2382 O O . ALA A 1 297 ? 27.855 -12.765 -26.752 1.00 29.02 ? 298 ALA A O 1 ATOM 2383 C CB . ALA A 1 297 ? 25.272 -14.516 -25.887 1.00 26.62 ? 298 ALA A CB 1 ATOM 2384 N N . THR A 1 298 ? 27.269 -14.222 -28.304 1.00 31.11 ? 299 THR A N 1 ATOM 2385 C CA . THR A 1 298 ? 27.832 -13.431 -29.388 1.00 31.63 ? 299 THR A CA 1 ATOM 2386 C C . THR A 1 298 ? 27.228 -13.742 -30.753 1.00 30.91 ? 299 THR A C 1 ATOM 2387 O O . THR A 1 298 ? 26.715 -14.825 -31.002 1.00 28.85 ? 299 THR A O 1 ATOM 2388 C CB . THR A 1 298 ? 29.348 -13.612 -29.457 1.00 33.72 ? 299 THR A CB 1 ATOM 2389 O OG1 . THR A 1 298 ? 29.920 -12.550 -30.235 1.00 40.88 ? 299 THR A OG1 1 ATOM 2390 C CG2 . THR A 1 298 ? 29.707 -14.925 -30.051 1.00 33.97 ? 299 THR A CG2 1 ATOM 2391 N N . LYS A 1 299 ? 27.154 -12.681 -31.542 1.00 32.68 ? 300 LYS A N 1 ATOM 2392 C CA . LYS A 1 299 ? 26.606 -12.698 -32.879 1.00 32.92 ? 300 LYS A CA 1 ATOM 2393 C C . LYS A 1 299 ? 27.163 -11.464 -33.561 1.00 34.29 ? 300 LYS A C 1 ATOM 2394 O O . LYS A 1 299 ? 27.643 -10.544 -32.899 1.00 30.89 ? 300 LYS A O 1 ATOM 2395 C CB . LYS A 1 299 ? 25.079 -12.643 -32.841 1.00 32.78 ? 300 LYS A CB 1 ATOM 2396 C CG . LYS A 1 299 ? 24.516 -11.278 -32.482 1.00 36.24 ? 300 LYS A CG 1 ATOM 2397 C CD . LYS A 1 299 ? 23.039 -11.365 -32.131 1.00 39.44 ? 300 LYS A CD 1 ATOM 2398 C CE . LYS A 1 299 ? 22.277 -12.192 -33.153 1.00 38.81 ? 300 LYS A CE 1 ATOM 2399 N NZ . LYS A 1 299 ? 20.836 -12.321 -32.800 1.00 37.77 ? 300 LYS A NZ 1 ATOM 2400 N N . GLY A 1 300 ? 27.097 -11.438 -34.882 1.00 33.60 ? 301 GLY A N 1 ATOM 2401 C CA . GLY A 1 300 ? 27.566 -10.277 -35.643 1.00 31.03 ? 301 GLY A CA 1 ATOM 2402 C C . GLY A 1 300 ? 28.804 -9.698 -34.981 1.00 29.13 ? 301 GLY A C 1 ATOM 2403 O O . GLY A 1 300 ? 29.667 -10.409 -34.559 1.00 29.64 ? 301 GLY A O 1 ATOM 2404 N N . ASN A 1 301 ? 28.876 -8.396 -34.825 1.00 29.26 ? 302 ASN A N 1 ATOM 2405 C CA . ASN A 1 301 ? 30.027 -7.822 -34.142 1.00 28.24 ? 302 ASN A CA 1 ATOM 2406 C C . ASN A 1 301 ? 29.716 -7.514 -32.652 1.00 26.99 ? 302 ASN A C 1 ATOM 2407 O O . ASN A 1 301 ? 30.292 -6.589 -32.056 1.00 22.11 ? 302 ASN A O 1 ATOM 2408 C CB . ASN A 1 301 ? 30.529 -6.589 -34.905 1.00 26.81 ? 302 ASN A CB 1 ATOM 2409 C CG . ASN A 1 301 ? 29.563 -5.430 -34.853 1.00 29.24 ? 302 ASN A CG 1 ATOM 2410 O OD1 . ASN A 1 301 ? 28.390 -5.597 -34.545 1.00 33.17 ? 302 ASN A OD1 1 ATOM 2411 N ND2 . ASN A 1 301 ? 30.064 -4.232 -35.119 1.00 31.61 ? 302 ASN A ND2 1 ATOM 2412 N N . GLN A 1 302 ? 28.827 -8.306 -32.057 1.00 24.89 ? 303 GLN A N 1 ATOM 2413 C CA . GLN A 1 302 ? 28.339 -7.973 -30.746 1.00 26.78 ? 303 GLN A CA 1 ATOM 2414 C C . GLN A 1 302 ? 28.528 -9.153 -29.806 1.00 27.37 ? 303 GLN A C 1 ATOM 2415 O O . GLN A 1 302 ? 28.178 -10.278 -30.143 1.00 27.17 ? 303 GLN A O 1 ATOM 2416 C CB . GLN A 1 302 ? 26.847 -7.578 -30.781 1.00 27.52 ? 303 GLN A CB 1 ATOM 2417 C CG . GLN A 1 302 ? 26.511 -6.322 -31.559 1.00 26.94 ? 303 GLN A CG 1 ATOM 2418 C CD . GLN A 1 302 ? 26.945 -5.053 -30.885 1.00 28.75 ? 303 GLN A CD 1 ATOM 2419 O OE1 . GLN A 1 302 ? 27.604 -4.199 -31.485 1.00 32.36 ? 303 GLN A OE1 1 ATOM 2420 N NE2 . GLN A 1 302 ? 26.579 -4.905 -29.659 1.00 27.62 ? 303 GLN A NE2 1 ATOM 2421 N N . TRP A 1 303 ? 29.007 -8.836 -28.600 1.00 26.88 ? 304 TRP A N 1 ATOM 2422 C CA . TRP A 1 303 ? 29.453 -9.783 -27.596 1.00 25.59 ? 304 TRP A CA 1 ATOM 2423 C C . TRP A 1 303 ? 28.800 -9.307 -26.313 1.00 24.41 ? 304 TRP A C 1 ATOM 2424 O O . TRP A 1 303 ? 28.777 -8.096 -26.036 1.00 25.44 ? 304 TRP A O 1 ATOM 2425 C CB . TRP A 1 303 ? 30.988 -9.659 -27.454 1.00 27.57 ? 304 TRP A CB 1 ATOM 2426 C CG . TRP A 1 303 ? 31.628 -10.720 -26.597 1.00 27.84 ? 304 TRP A CG 1 ATOM 2427 C CD1 . TRP A 1 303 ? 32.171 -11.902 -27.039 1.00 28.00 ? 304 TRP A CD1 1 ATOM 2428 C CD2 . TRP A 1 303 ? 31.760 -10.733 -25.163 1.00 25.24 ? 304 TRP A CD2 1 ATOM 2429 N NE1 . TRP A 1 303 ? 32.643 -12.635 -25.975 1.00 26.35 ? 304 TRP A NE1 1 ATOM 2430 C CE2 . TRP A 1 303 ? 32.406 -11.941 -24.814 1.00 25.74 ? 304 TRP A CE2 1 ATOM 2431 C CE3 . TRP A 1 303 ? 31.403 -9.849 -24.146 1.00 25.69 ? 304 TRP A CE3 1 ATOM 2432 C CZ2 . TRP A 1 303 ? 32.684 -12.288 -23.483 1.00 24.67 ? 304 TRP A CZ2 1 ATOM 2433 C CZ3 . TRP A 1 303 ? 31.705 -10.184 -22.825 1.00 23.98 ? 304 TRP A CZ3 1 ATOM 2434 C CH2 . TRP A 1 303 ? 32.359 -11.376 -22.515 1.00 25.43 ? 304 TRP A CH2 1 ATOM 2435 N N . VAL A 1 304 ? 28.275 -10.236 -25.527 1.00 22.32 ? 305 VAL A N 1 ATOM 2436 C CA . VAL A 1 304 ? 27.474 -9.888 -24.388 1.00 22.46 ? 305 VAL A CA 1 ATOM 2437 C C . VAL A 1 304 ? 27.678 -10.811 -23.249 1.00 22.40 ? 305 VAL A C 1 ATOM 2438 O O . VAL A 1 304 ? 27.492 -12.021 -23.411 1.00 22.56 ? 305 VAL A O 1 ATOM 2439 C CB . VAL A 1 304 ? 25.971 -9.985 -24.666 1.00 23.37 ? 305 VAL A CB 1 ATOM 2440 C CG1 . VAL A 1 304 ? 25.190 -9.705 -23.394 1.00 23.03 ? 305 VAL A CG1 1 ATOM 2441 C CG2 . VAL A 1 304 ? 25.550 -9.013 -25.761 1.00 23.39 ? 305 VAL A CG2 1 ATOM 2442 N N . ALA A 1 305 ? 28.035 -10.209 -22.108 1.00 21.69 ? 306 ALA A N 1 ATOM 2443 C CA . ALA A 1 305 ? 28.082 -10.867 -20.820 1.00 21.47 ? 306 ALA A CA 1 ATOM 2444 C C . ALA A 1 305 ? 26.751 -10.638 -20.041 1.00 22.84 ? 306 ALA A C 1 ATOM 2445 O O . ALA A 1 305 ? 26.161 -9.521 -20.004 1.00 20.19 ? 306 ALA A O 1 ATOM 2446 C CB . ALA A 1 305 ? 29.238 -10.342 -20.020 1.00 20.30 ? 306 ALA A CB 1 ATOM 2447 N N . TYR A 1 306 ? 26.289 -11.709 -19.411 1.00 22.97 ? 307 TYR A N 1 ATOM 2448 C CA . TYR A 1 306 ? 24.989 -11.701 -18.815 1.00 22.94 ? 307 TYR A CA 1 ATOM 2449 C C . TYR A 1 306 ? 24.840 -12.807 -17.801 1.00 23.04 ? 307 TYR A C 1 ATOM 2450 O O . TYR A 1 306 ? 25.749 -13.596 -17.582 1.00 22.20 ? 307 TYR A O 1 ATOM 2451 C CB . TYR A 1 306 ? 23.918 -11.777 -19.918 1.00 22.88 ? 307 TYR A CB 1 ATOM 2452 C CG . TYR A 1 306 ? 23.776 -13.115 -20.590 1.00 23.54 ? 307 TYR A CG 1 ATOM 2453 C CD1 . TYR A 1 306 ? 24.691 -13.566 -21.549 1.00 23.89 ? 307 TYR A CD1 1 ATOM 2454 C CD2 . TYR A 1 306 ? 22.668 -13.924 -20.303 1.00 25.61 ? 307 TYR A CD2 1 ATOM 2455 C CE1 . TYR A 1 306 ? 24.518 -14.820 -22.156 1.00 24.89 ? 307 TYR A CE1 1 ATOM 2456 C CE2 . TYR A 1 306 ? 22.481 -15.161 -20.899 1.00 25.20 ? 307 TYR A CE2 1 ATOM 2457 C CZ . TYR A 1 306 ? 23.405 -15.613 -21.803 1.00 24.79 ? 307 TYR A CZ 1 ATOM 2458 O OH . TYR A 1 306 ? 23.140 -16.824 -22.336 1.00 25.80 ? 307 TYR A OH 1 ATOM 2459 N N . ASP A 1 307 ? 23.713 -12.760 -17.100 1.00 23.87 ? 308 ASP A N 1 ATOM 2460 C CA . ASP A 1 307 ? 23.352 -13.747 -16.102 1.00 22.47 ? 308 ASP A CA 1 ATOM 2461 C C . ASP A 1 307 ? 22.066 -14.434 -16.562 1.00 21.71 ? 308 ASP A C 1 ATOM 2462 O O . ASP A 1 307 ? 21.244 -13.823 -17.272 1.00 19.02 ? 308 ASP A O 1 ATOM 2463 C CB . ASP A 1 307 ? 23.169 -13.058 -14.738 1.00 24.10 ? 308 ASP A CB 1 ATOM 2464 C CG . ASP A 1 307 ? 24.511 -12.961 -13.928 1.00 24.90 ? 308 ASP A CG 1 ATOM 2465 O OD1 . ASP A 1 307 ? 25.142 -11.883 -13.992 1.00 26.02 ? 308 ASP A OD1 1 ATOM 2466 O OD2 . ASP A 1 307 ? 24.930 -13.952 -13.248 1.00 21.46 ? 308 ASP A OD2 1 ATOM 2467 N N . ASP A 1 308 ? 21.892 -15.697 -16.166 1.00 21.73 ? 309 ASP A N 1 ATOM 2468 C CA . ASP A 1 308 ? 20.725 -16.457 -16.588 1.00 22.19 ? 309 ASP A CA 1 ATOM 2469 C C . ASP A 1 308 ? 20.224 -17.245 -15.408 1.00 23.82 ? 309 ASP A C 1 ATOM 2470 O O . ASP A 1 308 ? 20.799 -17.175 -14.325 1.00 22.81 ? 309 ASP A O 1 ATOM 2471 C CB . ASP A 1 308 ? 21.011 -17.317 -17.836 1.00 20.67 ? 309 ASP A CB 1 ATOM 2472 C CG . ASP A 1 308 ? 22.161 -18.344 -17.628 1.00 20.68 ? 309 ASP A CG 1 ATOM 2473 O OD1 . ASP A 1 308 ? 22.548 -18.641 -16.441 1.00 17.61 ? 309 ASP A OD1 1 ATOM 2474 O OD2 . ASP A 1 308 ? 22.616 -18.898 -18.691 1.00 19.47 ? 309 ASP A OD2 1 ATOM 2475 N N . GLN A 1 309 ? 19.153 -18.000 -15.615 1.00 26.90 ? 310 GLN A N 1 ATOM 2476 C CA . GLN A 1 309 ? 18.515 -18.723 -14.510 1.00 31.08 ? 310 GLN A CA 1 ATOM 2477 C C . GLN A 1 309 ? 19.484 -19.624 -13.814 1.00 29.67 ? 310 GLN A C 1 ATOM 2478 O O . GLN A 1 309 ? 19.465 -19.741 -12.585 1.00 33.10 ? 310 GLN A O 1 ATOM 2479 C CB . GLN A 1 309 ? 17.259 -19.479 -15.004 1.00 36.13 ? 310 GLN A CB 1 ATOM 2480 C CG . GLN A 1 309 ? 16.114 -18.520 -15.334 1.00 38.05 ? 310 GLN A CG 1 ATOM 2481 C CD . GLN A 1 309 ? 15.128 -19.086 -16.334 1.00 43.98 ? 310 GLN A CD 1 ATOM 2482 O OE1 . GLN A 1 309 ? 14.389 -20.016 -16.021 1.00 48.95 ? 310 GLN A OE1 1 ATOM 2483 N NE2 . GLN A 1 309 ? 15.087 -18.504 -17.542 1.00 43.58 ? 310 GLN A NE2 1 ATOM 2484 N N . GLU A 1 310 ? 20.379 -20.219 -14.592 1.00 30.78 ? 311 GLU A N 1 ATOM 2485 C CA . GLU A 1 310 ? 21.363 -21.070 -14.029 1.00 32.12 ? 311 GLU A CA 1 ATOM 2486 C C . GLU A 1 310 ? 22.413 -20.281 -13.227 1.00 29.77 ? 311 GLU A C 1 ATOM 2487 O O . GLU A 1 310 ? 22.723 -20.675 -12.108 1.00 27.80 ? 311 GLU A O 1 ATOM 2488 C CB . GLU A 1 310 ? 22.000 -21.956 -15.111 1.00 38.85 ? 311 GLU A CB 1 ATOM 2489 C CG . GLU A 1 310 ? 22.766 -23.163 -14.536 1.00 45.50 ? 311 GLU A CG 1 ATOM 2490 C CD . GLU A 1 310 ? 22.095 -23.771 -13.268 1.00 54.76 ? 311 GLU A CD 1 ATOM 2491 O OE1 . GLU A 1 310 ? 22.686 -23.667 -12.142 1.00 51.35 ? 311 GLU A OE1 1 ATOM 2492 O OE2 . GLU A 1 310 ? 20.954 -24.318 -13.390 1.00 51.71 ? 311 GLU A OE2 1 ATOM 2493 N N . SER A 1 311 ? 22.946 -19.178 -13.760 1.00 24.87 ? 312 SER A N 1 ATOM 2494 C CA . SER A 1 311 ? 24.004 -18.476 -13.017 1.00 24.36 ? 312 SER A CA 1 ATOM 2495 C C . SER A 1 311 ? 23.434 -17.743 -11.824 1.00 25.23 ? 312 SER A C 1 ATOM 2496 O O . SER A 1 311 ? 24.076 -17.570 -10.783 1.00 27.95 ? 312 SER A O 1 ATOM 2497 C CB . SER A 1 311 ? 24.855 -17.557 -13.917 1.00 24.73 ? 312 SER A CB 1 ATOM 2498 O OG . SER A 1 311 ? 24.142 -16.505 -14.543 1.00 24.53 ? 312 SER A OG 1 ATOM 2499 N N . VAL A 1 312 ? 22.193 -17.336 -11.962 1.00 24.28 ? 313 VAL A N 1 ATOM 2500 C CA . VAL A 1 312 ? 21.502 -16.645 -10.891 1.00 24.62 ? 313 VAL A CA 1 ATOM 2501 C C . VAL A 1 312 ? 21.191 -17.643 -9.772 1.00 23.29 ? 313 VAL A C 1 ATOM 2502 O O . VAL A 1 312 ? 21.253 -17.307 -8.591 1.00 19.23 ? 313 VAL A O 1 ATOM 2503 C CB . VAL A 1 312 ? 20.286 -15.943 -11.532 1.00 27.46 ? 313 VAL A CB 1 ATOM 2504 C CG1 . VAL A 1 312 ? 19.040 -16.037 -10.691 1.00 29.98 ? 313 VAL A CG1 1 ATOM 2505 C CG2 . VAL A 1 312 ? 20.640 -14.509 -11.931 1.00 26.21 ? 313 VAL A CG2 1 ATOM 2506 N N . LYS A 1 313 ? 20.921 -18.899 -10.152 1.00 25.76 ? 314 LYS A N 1 ATOM 2507 C CA . LYS A 1 313 ? 20.591 -19.939 -9.163 1.00 26.95 ? 314 LYS A CA 1 ATOM 2508 C C . LYS A 1 313 ? 21.843 -20.240 -8.369 1.00 24.49 ? 314 LYS A C 1 ATOM 2509 O O . LYS A 1 313 ? 21.863 -20.246 -7.132 1.00 24.54 ? 314 LYS A O 1 ATOM 2510 C CB . LYS A 1 313 ? 20.015 -21.186 -9.843 1.00 31.15 ? 314 LYS A CB 1 ATOM 2511 C CG . LYS A 1 313 ? 18.495 -21.175 -9.960 1.00 36.86 ? 314 LYS A CG 1 ATOM 2512 C CD . LYS A 1 313 ? 17.871 -22.436 -10.569 1.00 41.27 ? 314 LYS A CD 1 ATOM 2513 C CE . LYS A 1 313 ? 16.387 -22.566 -10.155 1.00 47.94 ? 314 LYS A CE 1 ATOM 2514 N NZ . LYS A 1 313 ? 15.712 -23.852 -10.590 1.00 52.85 ? 314 LYS A NZ 1 ATOM 2515 N N . ASN A 1 314 ? 22.907 -20.409 -9.123 1.00 24.15 ? 315 ASN A N 1 ATOM 2516 C CA . ASN A 1 314 ? 24.223 -20.758 -8.627 1.00 22.93 ? 315 ASN A CA 1 ATOM 2517 C C . ASN A 1 314 ? 24.786 -19.713 -7.659 1.00 23.11 ? 315 ASN A C 1 ATOM 2518 O O . ASN A 1 314 ? 25.368 -20.066 -6.630 1.00 22.57 ? 315 ASN A O 1 ATOM 2519 C CB . ASN A 1 314 ? 25.120 -20.920 -9.834 1.00 24.79 ? 315 ASN A CB 1 ATOM 2520 C CG . ASN A 1 314 ? 26.527 -21.310 -9.470 1.00 27.15 ? 315 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 314 ? 27.459 -20.528 -9.658 1.00 31.30 ? 315 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 314 ? 26.697 -22.511 -8.952 1.00 26.89 ? 315 ASN A ND2 1 ATOM 2523 N N . LYS A 1 315 ? 24.554 -18.432 -7.948 1.00 20.34 ? 316 LYS A N 1 ATOM 2524 C CA . LYS A 1 315 ? 24.899 -17.371 -7.002 1.00 18.63 ? 316 LYS A CA 1 ATOM 2525 C C . LYS A 1 315 ? 24.102 -17.440 -5.712 1.00 18.58 ? 316 LYS A C 1 ATOM 2526 O O . LYS A 1 315 ? 24.664 -17.249 -4.598 1.00 15.15 ? 316 LYS A O 1 ATOM 2527 C CB . LYS A 1 315 ? 24.734 -16.009 -7.670 1.00 19.54 ? 316 LYS A CB 1 ATOM 2528 C CG . LYS A 1 315 ? 25.933 -15.661 -8.567 1.00 21.25 ? 316 LYS A CG 1 ATOM 2529 C CD . LYS A 1 315 ? 25.732 -14.430 -9.461 1.00 23.81 ? 316 LYS A CD 1 ATOM 2530 C CE . LYS A 1 315 ? 26.905 -14.288 -10.431 1.00 24.27 ? 316 LYS A CE 1 ATOM 2531 N NZ . LYS A 1 315 ? 26.591 -13.393 -11.598 1.00 24.25 ? 316 LYS A NZ 1 ATOM 2532 N N . ALA A 1 316 ? 22.804 -17.771 -5.847 1.00 19.33 ? 317 ALA A N 1 ATOM 2533 C CA . ALA A 1 316 ? 21.955 -17.923 -4.670 1.00 20.06 ? 317 ALA A CA 1 ATOM 2534 C C . ALA A 1 316 ? 22.326 -19.134 -3.848 1.00 19.77 ? 317 ALA A C 1 ATOM 2535 O O . ALA A 1 316 ? 22.269 -19.110 -2.626 1.00 20.00 ? 317 ALA A O 1 ATOM 2536 C CB . ALA A 1 316 ? 20.497 -18.003 -5.058 1.00 22.61 ? 317 ALA A CB 1 ATOM 2537 N N . ARG A 1 317 ? 22.712 -20.215 -4.489 1.00 21.03 ? 318 ARG A N 1 ATOM 2538 C CA . ARG A 1 317 ? 23.307 -21.308 -3.678 1.00 23.36 ? 318 ARG A CA 1 ATOM 2539 C C . ARG A 1 317 ? 24.555 -20.795 -2.944 1.00 19.96 ? 318 ARG A C 1 ATOM 2540 O O . ARG A 1 317 ? 24.681 -20.953 -1.741 1.00 20.22 ? 318 ARG A O 1 ATOM 2541 C CB . ARG A 1 317 ? 23.621 -22.548 -4.517 1.00 25.70 ? 318 ARG A CB 1 ATOM 2542 C CG . ARG A 1 317 ? 22.390 -23.323 -4.971 1.00 26.51 ? 318 ARG A CG 1 ATOM 2543 C CD . ARG A 1 317 ? 22.754 -24.466 -5.931 1.00 29.89 ? 318 ARG A CD 1 ATOM 2544 N NE . ARG A 1 317 ? 21.774 -24.613 -7.014 1.00 30.38 ? 318 ARG A NE 1 ATOM 2545 C CZ . ARG A 1 317 ? 22.001 -24.355 -8.301 1.00 30.62 ? 318 ARG A CZ 1 ATOM 2546 N NH1 . ARG A 1 317 ? 23.200 -23.976 -8.741 1.00 28.66 ? 318 ARG A NH1 1 ATOM 2547 N NH2 . ARG A 1 317 ? 21.008 -24.524 -9.169 1.00 32.36 ? 318 ARG A NH2 1 ATOM 2548 N N . TYR A 1 318 ? 25.392 -20.053 -3.637 1.00 18.67 ? 319 TYR A N 1 ATOM 2549 C CA . TYR A 1 318 ? 26.633 -19.604 -3.033 1.00 19.09 ? 319 TYR A CA 1 ATOM 2550 C C . TYR A 1 318 ? 26.421 -18.736 -1.857 1.00 19.22 ? 319 TYR A C 1 ATOM 2551 O O . TYR A 1 318 ? 27.114 -18.872 -0.815 1.00 18.36 ? 319 TYR A O 1 ATOM 2552 C CB . TYR A 1 318 ? 27.487 -18.878 -4.048 1.00 20.76 ? 319 TYR A CB 1 ATOM 2553 C CG . TYR A 1 318 ? 28.717 -18.182 -3.463 1.00 23.41 ? 319 TYR A CG 1 ATOM 2554 C CD1 . TYR A 1 318 ? 29.952 -18.837 -3.386 1.00 23.13 ? 319 TYR A CD1 1 ATOM 2555 C CD2 . TYR A 1 318 ? 28.646 -16.875 -2.976 1.00 21.97 ? 319 TYR A CD2 1 ATOM 2556 C CE1 . TYR A 1 318 ? 31.080 -18.183 -2.886 1.00 23.66 ? 319 TYR A CE1 1 ATOM 2557 C CE2 . TYR A 1 318 ? 29.760 -16.249 -2.447 1.00 22.54 ? 319 TYR A CE2 1 ATOM 2558 C CZ . TYR A 1 318 ? 30.975 -16.888 -2.412 1.00 23.58 ? 319 TYR A CZ 1 ATOM 2559 O OH . TYR A 1 318 ? 32.085 -16.250 -1.891 1.00 22.32 ? 319 TYR A OH 1 ATOM 2560 N N . LEU A 1 319 ? 25.449 -17.838 -1.958 1.00 19.76 ? 320 LEU A N 1 ATOM 2561 C CA . LEU A 1 319 ? 25.287 -16.940 -0.815 1.00 19.33 ? 320 LEU A CA 1 ATOM 2562 C C . LEU A 1 319 ? 24.652 -17.631 0.398 1.00 20.72 ? 320 LEU A C 1 ATOM 2563 O O . LEU A 1 319 ? 24.989 -17.321 1.542 1.00 20.17 ? 320 LEU A O 1 ATOM 2564 C CB . LEU A 1 319 ? 24.655 -15.606 -1.226 1.00 19.74 ? 320 LEU A CB 1 ATOM 2565 C CG . LEU A 1 319 ? 23.165 -15.201 -1.218 1.00 20.42 ? 320 LEU A CG 1 ATOM 2566 C CD1 . LEU A 1 319 ? 22.634 -15.032 -2.620 1.00 19.90 ? 320 LEU A CD1 1 ATOM 2567 C CD2 . LEU A 1 319 ? 22.219 -16.020 -0.363 1.00 19.45 ? 320 LEU A CD2 1 ATOM 2568 N N . LYS A 1 320 ? 23.776 -18.614 0.167 1.00 23.93 ? 321 LYS A N 1 ATOM 2569 C CA . LYS A 1 320 ? 23.226 -19.454 1.279 1.00 24.21 ? 321 LYS A CA 1 ATOM 2570 C C . LYS A 1 320 ? 24.371 -20.246 1.946 1.00 25.92 ? 321 LYS A C 1 ATOM 2571 O O . LYS A 1 320 ? 24.481 -20.312 3.196 1.00 26.34 ? 321 LYS A O 1 ATOM 2572 C CB . LYS A 1 320 ? 22.269 -20.518 0.752 1.00 24.04 ? 321 LYS A CB 1 ATOM 2573 C CG . LYS A 1 320 ? 21.077 -20.065 -0.091 1.00 27.78 ? 321 LYS A CG 1 ATOM 2574 C CD . LYS A 1 320 ? 19.740 -20.231 0.658 1.00 29.78 ? 321 LYS A CD 1 ATOM 2575 C CE . LYS A 1 320 ? 19.346 -21.665 0.984 1.00 28.69 ? 321 LYS A CE 1 ATOM 2576 N NZ . LYS A 1 320 ? 19.171 -22.397 -0.288 1.00 32.20 ? 321 LYS A NZ 1 ATOM 2577 N N . ASN A 1 321 ? 25.192 -20.899 1.113 1.00 24.04 ? 322 ASN A N 1 ATOM 2578 C CA . ASN A 1 321 ? 26.322 -21.707 1.637 1.00 24.56 ? 322 ASN A CA 1 ATOM 2579 C C . ASN A 1 321 ? 27.207 -20.886 2.510 1.00 25.91 ? 322 ASN A C 1 ATOM 2580 O O . ASN A 1 321 ? 27.727 -21.374 3.484 1.00 25.77 ? 322 ASN A O 1 ATOM 2581 C CB . ASN A 1 321 ? 27.135 -22.279 0.503 1.00 23.51 ? 322 ASN A CB 1 ATOM 2582 C CG . ASN A 1 321 ? 26.463 -23.485 -0.101 1.00 23.09 ? 322 ASN A CG 1 ATOM 2583 O OD1 . ASN A 1 321 ? 25.744 -24.163 0.609 1.00 23.36 ? 322 ASN A OD1 1 ATOM 2584 N ND2 . ASN A 1 321 ? 26.651 -23.734 -1.402 1.00 21.07 ? 322 ASN A ND2 1 ATOM 2585 N N . ARG A 1 322 ? 27.288 -19.596 2.166 1.00 28.78 ? 323 ARG A N 1 ATOM 2586 C CA . ARG A 1 322 ? 28.121 -18.646 2.846 1.00 26.29 ? 323 ARG A CA 1 ATOM 2587 C C . ARG A 1 322 ? 27.356 -18.003 3.954 1.00 26.73 ? 323 ARG A C 1 ATOM 2588 O O . ARG A 1 322 ? 27.914 -17.161 4.690 1.00 27.57 ? 323 ARG A O 1 ATOM 2589 C CB . ARG A 1 322 ? 28.459 -17.570 1.832 1.00 29.79 ? 323 ARG A CB 1 ATOM 2590 C CG . ARG A 1 322 ? 29.812 -16.939 2.014 1.00 31.20 ? 323 ARG A CG 1 ATOM 2591 C CD . ARG A 1 322 ? 30.846 -17.862 1.443 1.00 30.42 ? 323 ARG A CD 1 ATOM 2592 N NE . ARG A 1 322 ? 32.024 -17.098 1.123 1.00 34.78 ? 323 ARG A NE 1 ATOM 2593 C CZ . ARG A 1 322 ? 33.039 -16.854 1.933 1.00 32.91 ? 323 ARG A CZ 1 ATOM 2594 N NH1 . ARG A 1 322 ? 33.081 -17.319 3.168 1.00 34.28 ? 323 ARG A NH1 1 ATOM 2595 N NH2 . ARG A 1 322 ? 34.042 -16.159 1.467 1.00 35.69 ? 323 ARG A NH2 1 ATOM 2596 N N . GLN A 1 323 ? 26.057 -18.321 4.032 1.00 23.47 ? 324 GLN A N 1 ATOM 2597 C CA . GLN A 1 323 ? 25.186 -17.812 5.086 1.00 23.95 ? 324 GLN A CA 1 ATOM 2598 C C . GLN A 1 323 ? 25.041 -16.309 5.079 1.00 22.80 ? 324 GLN A C 1 ATOM 2599 O O . GLN A 1 323 ? 24.964 -15.643 6.133 1.00 19.66 ? 324 GLN A O 1 ATOM 2600 C CB . GLN A 1 323 ? 25.660 -18.237 6.459 1.00 26.68 ? 324 GLN A CB 1 ATOM 2601 C CG . GLN A 1 323 ? 26.144 -19.646 6.569 1.00 30.27 ? 324 GLN A CG 1 ATOM 2602 C CD . GLN A 1 323 ? 26.551 -19.908 7.990 1.00 37.99 ? 324 GLN A CD 1 ATOM 2603 O OE1 . GLN A 1 323 ? 27.719 -19.827 8.351 1.00 41.45 ? 324 GLN A OE1 1 ATOM 2604 N NE2 . GLN A 1 323 ? 25.562 -20.163 8.833 1.00 43.43 ? 324 GLN A NE2 1 ATOM 2605 N N . LEU A 1 324 ? 24.970 -15.757 3.879 1.00 21.33 ? 325 LEU A N 1 ATOM 2606 C CA . LEU A 1 324 ? 24.699 -14.354 3.775 1.00 20.01 ? 325 LEU A CA 1 ATOM 2607 C C . LEU A 1 324 ? 23.222 -14.118 4.127 1.00 18.92 ? 325 LEU A C 1 ATOM 2608 O O . LEU A 1 324 ? 22.435 -15.016 4.157 1.00 18.45 ? 325 LEU A O 1 ATOM 2609 C CB . LEU A 1 324 ? 25.090 -13.827 2.374 1.00 19.51 ? 325 LEU A CB 1 ATOM 2610 C CG . LEU A 1 324 ? 26.586 -14.013 2.068 1.00 18.38 ? 325 LEU A CG 1 ATOM 2611 C CD1 . LEU A 1 324 ? 26.907 -13.266 0.802 1.00 18.24 ? 325 LEU A CD1 1 ATOM 2612 C CD2 . LEU A 1 324 ? 27.456 -13.545 3.230 1.00 17.93 ? 325 LEU A CD2 1 ATOM 2613 N N . ALA A 1 325 ? 22.901 -12.879 4.436 1.00 18.90 ? 326 ALA A N 1 ATOM 2614 C CA . ALA A 1 325 ? 21.587 -12.462 4.799 1.00 18.43 ? 326 ALA A CA 1 ATOM 2615 C C . ALA A 1 325 ? 20.607 -12.580 3.628 1.00 18.26 ? 326 ALA A C 1 ATOM 2616 O O . ALA A 1 325 ? 19.445 -12.772 3.877 1.00 20.65 ? 326 ALA A O 1 ATOM 2617 C CB . ALA A 1 325 ? 21.659 -11.045 5.305 1.00 18.09 ? 326 ALA A CB 1 ATOM 2618 N N . GLY A 1 326 ? 21.061 -12.491 2.371 1.00 16.75 ? 327 GLY A N 1 ATOM 2619 C CA . GLY A 1 326 ? 20.175 -12.683 1.222 1.00 14.76 ? 327 GLY A CA 1 ATOM 2620 C C . GLY A 1 326 ? 20.808 -12.193 -0.047 1.00 15.18 ? 327 GLY A C 1 ATOM 2621 O O . GLY A 1 326 ? 22.043 -12.003 -0.109 1.00 14.72 ? 327 GLY A O 1 ATOM 2622 N N . ALA A 1 327 ? 19.969 -11.968 -1.060 1.00 15.98 ? 328 ALA A N 1 ATOM 2623 C CA . ALA A 1 327 ? 20.391 -11.402 -2.377 1.00 17.19 ? 328 ALA A CA 1 ATOM 2624 C C . ALA A 1 327 ? 19.784 -10.040 -2.668 1.00 19.70 ? 328 ALA A C 1 ATOM 2625 O O . ALA A 1 327 ? 18.734 -9.690 -2.130 1.00 21.02 ? 328 ALA A O 1 ATOM 2626 C CB . ALA A 1 327 ? 20.026 -12.326 -3.496 1.00 15.63 ? 328 ALA A CB 1 ATOM 2627 N N . MET A 1 328 ? 20.479 -9.259 -3.493 1.00 22.07 ? 329 MET A N 1 ATOM 2628 C CA . MET A 1 328 ? 19.957 -8.033 -3.995 1.00 23.14 ? 329 MET A CA 1 ATOM 2629 C C . MET A 1 328 ? 19.844 -8.173 -5.495 1.00 24.36 ? 329 MET A C 1 ATOM 2630 O O . MET A 1 328 ? 20.754 -8.700 -6.159 1.00 24.45 ? 329 MET A O 1 ATOM 2631 C CB . MET A 1 328 ? 20.900 -6.911 -3.631 1.00 27.07 ? 329 MET A CB 1 ATOM 2632 C CG . MET A 1 328 ? 20.468 -5.541 -4.123 1.00 27.42 ? 329 MET A CG 1 ATOM 2633 S SD . MET A 1 328 ? 21.250 -5.101 -5.662 1.00 27.36 ? 329 MET A SD 1 ATOM 2634 C CE . MET A 1 328 ? 22.923 -4.858 -5.073 1.00 32.52 ? 329 MET A CE 1 ATOM 2635 N N . VAL A 1 329 ? 18.733 -7.711 -6.052 1.00 26.60 ? 330 VAL A N 1 ATOM 2636 C CA . VAL A 1 329 ? 18.570 -7.745 -7.522 1.00 25.90 ? 330 VAL A CA 1 ATOM 2637 C C . VAL A 1 329 ? 18.609 -6.344 -8.107 1.00 23.47 ? 330 VAL A C 1 ATOM 2638 O O . VAL A 1 329 ? 17.915 -5.441 -7.626 1.00 18.38 ? 330 VAL A O 1 ATOM 2639 C CB . VAL A 1 329 ? 17.251 -8.419 -7.947 1.00 25.88 ? 330 VAL A CB 1 ATOM 2640 C CG1 . VAL A 1 329 ? 17.030 -8.286 -9.437 1.00 26.52 ? 330 VAL A CG1 1 ATOM 2641 C CG2 . VAL A 1 329 ? 17.269 -9.896 -7.590 1.00 26.19 ? 330 VAL A CG2 1 ATOM 2642 N N . TRP A 1 330 ? 19.474 -6.186 -9.095 1.00 23.76 ? 331 TRP A N 1 ATOM 2643 C CA . TRP A 1 330 ? 19.435 -5.071 -9.979 1.00 24.26 ? 331 TRP A CA 1 ATOM 2644 C C . TRP A 1 330 ? 19.087 -5.478 -11.408 1.00 23.85 ? 331 TRP A C 1 ATOM 2645 O O . TRP A 1 330 ? 19.935 -5.946 -12.082 1.00 23.79 ? 331 TRP A O 1 ATOM 2646 C CB . TRP A 1 330 ? 20.744 -4.270 -9.946 1.00 25.37 ? 331 TRP A CB 1 ATOM 2647 C CG . TRP A 1 330 ? 20.571 -2.956 -10.651 1.00 26.08 ? 331 TRP A CG 1 ATOM 2648 C CD1 . TRP A 1 330 ? 20.579 -2.759 -11.948 1.00 24.95 ? 331 TRP A CD1 1 ATOM 2649 C CD2 . TRP A 1 330 ? 20.255 -1.711 -10.076 1.00 26.65 ? 331 TRP A CD2 1 ATOM 2650 N NE1 . TRP A 1 330 ? 20.322 -1.505 -12.244 1.00 26.44 ? 331 TRP A NE1 1 ATOM 2651 C CE2 . TRP A 1 330 ? 20.100 -0.826 -11.094 1.00 27.20 ? 331 TRP A CE2 1 ATOM 2652 C CE3 . TRP A 1 330 ? 20.130 -1.255 -8.788 1.00 27.28 ? 331 TRP A CE3 1 ATOM 2653 C CZ2 . TRP A 1 330 ? 19.834 0.480 -10.879 1.00 29.30 ? 331 TRP A CZ2 1 ATOM 2654 C CZ3 . TRP A 1 330 ? 19.855 0.022 -8.589 1.00 26.77 ? 331 TRP A CZ3 1 ATOM 2655 C CH2 . TRP A 1 330 ? 19.709 0.876 -9.613 1.00 27.88 ? 331 TRP A CH2 1 ATOM 2656 N N . ALA A 1 331 ? 17.895 -5.195 -11.918 1.00 23.87 ? 332 ALA A N 1 ATOM 2657 C CA . ALA A 1 331 ? 16.745 -4.605 -11.210 1.00 21.59 ? 332 ALA A CA 1 ATOM 2658 C C . ALA A 1 331 ? 15.412 -5.020 -11.815 1.00 20.43 ? 332 ALA A C 1 ATOM 2659 O O . ALA A 1 331 ? 15.320 -5.488 -12.963 1.00 19.57 ? 332 ALA A O 1 ATOM 2660 C CB . ALA A 1 331 ? 16.831 -3.114 -11.220 1.00 22.09 ? 332 ALA A CB 1 ATOM 2661 N N . LEU A 1 332 ? 14.350 -4.824 -11.056 1.00 20.03 ? 333 LEU A N 1 ATOM 2662 C CA . LEU A 1 332 ? 13.063 -5.433 -11.451 1.00 20.57 ? 333 LEU A CA 1 ATOM 2663 C C . LEU A 1 332 ? 12.631 -5.049 -12.826 1.00 19.57 ? 333 LEU A C 1 ATOM 2664 O O . LEU A 1 332 ? 12.020 -5.833 -13.502 1.00 20.67 ? 333 LEU A O 1 ATOM 2665 C CB . LEU A 1 332 ? 11.978 -5.053 -10.502 1.00 21.70 ? 333 LEU A CB 1 ATOM 2666 C CG . LEU A 1 332 ? 12.156 -5.658 -9.139 1.00 21.77 ? 333 LEU A CG 1 ATOM 2667 C CD1 . LEU A 1 332 ? 11.177 -5.035 -8.201 1.00 22.99 ? 333 LEU A CD1 1 ATOM 2668 C CD2 . LEU A 1 332 ? 11.921 -7.159 -9.229 1.00 24.09 ? 333 LEU A CD2 1 ATOM 2669 N N . ASP A 1 333 ? 12.989 -3.864 -13.281 1.00 19.37 ? 334 ASP A N 1 ATOM 2670 C CA . ASP A 1 333 ? 12.557 -3.421 -14.635 1.00 20.75 ? 334 ASP A CA 1 ATOM 2671 C C . ASP A 1 333 ? 13.422 -3.905 -15.758 1.00 20.59 ? 334 ASP A C 1 ATOM 2672 O O . ASP A 1 333 ? 13.088 -3.659 -16.936 1.00 21.48 ? 334 ASP A O 1 ATOM 2673 C CB . ASP A 1 333 ? 12.490 -1.887 -14.708 1.00 21.47 ? 334 ASP A CB 1 ATOM 2674 C CG . ASP A 1 333 ? 13.744 -1.202 -14.097 1.00 20.35 ? 334 ASP A CG 1 ATOM 2675 O OD1 . ASP A 1 333 ? 14.609 -0.910 -14.919 1.00 20.52 ? 334 ASP A OD1 1 ATOM 2676 O OD2 . ASP A 1 333 ? 13.843 -0.977 -12.837 1.00 18.83 ? 334 ASP A OD2 1 ATOM 2677 N N . LEU A 1 334 ? 14.531 -4.566 -15.391 1.00 21.21 ? 335 LEU A N 1 ATOM 2678 C CA . LEU A 1 334 ? 15.469 -5.173 -16.344 1.00 21.75 ? 335 LEU A CA 1 ATOM 2679 C C . LEU A 1 334 ? 15.380 -6.710 -16.393 1.00 23.34 ? 335 LEU A C 1 ATOM 2680 O O . LEU A 1 334 ? 16.022 -7.380 -17.207 1.00 26.06 ? 335 LEU A O 1 ATOM 2681 C CB . LEU A 1 334 ? 16.898 -4.708 -16.006 1.00 23.16 ? 335 LEU A CB 1 ATOM 2682 C CG . LEU A 1 334 ? 17.028 -3.193 -16.143 1.00 23.52 ? 335 LEU A CG 1 ATOM 2683 C CD1 . LEU A 1 334 ? 18.186 -2.696 -15.321 1.00 26.02 ? 335 LEU A CD1 1 ATOM 2684 C CD2 . LEU A 1 334 ? 17.151 -2.758 -17.588 1.00 23.31 ? 335 LEU A CD2 1 ATOM 2685 N N . ASP A 1 335 ? 14.602 -7.279 -15.490 1.00 26.52 ? 336 ASP A N 1 ATOM 2686 C CA . ASP A 1 335 ? 14.223 -8.688 -15.556 1.00 29.62 ? 336 ASP A CA 1 ATOM 2687 C C . ASP A 1 335 ? 13.146 -8.727 -16.620 1.00 32.76 ? 336 ASP A C 1 ATOM 2688 O O . ASP A 1 335 ? 12.611 -7.649 -16.973 1.00 40.16 ? 336 ASP A O 1 ATOM 2689 C CB . ASP A 1 335 ? 13.699 -9.135 -14.157 1.00 29.89 ? 336 ASP A CB 1 ATOM 2690 C CG . ASP A 1 335 ? 13.715 -10.628 -13.963 1.00 27.31 ? 336 ASP A CG 1 ATOM 2691 O OD1 . ASP A 1 335 ? 13.892 -11.317 -14.965 1.00 25.43 ? 336 ASP A OD1 1 ATOM 2692 O OD2 . ASP A 1 335 ? 13.522 -11.109 -12.817 1.00 26.35 ? 336 ASP A OD2 1 ATOM 2693 N N . ASP A 1 336 ? 12.820 -9.904 -17.160 1.00 32.58 ? 337 ASP A N 1 ATOM 2694 C CA . ASP A 1 336 ? 11.608 -10.024 -18.056 1.00 34.18 ? 337 ASP A CA 1 ATOM 2695 C C . ASP A 1 336 ? 10.315 -9.874 -17.247 1.00 33.43 ? 337 ASP A C 1 ATOM 2696 O O . ASP A 1 336 ? 9.649 -10.886 -16.903 1.00 33.62 ? 337 ASP A O 1 ATOM 2697 C CB . ASP A 1 336 ? 11.579 -11.377 -18.798 1.00 36.35 ? 337 ASP A CB 1 ATOM 2698 C CG . ASP A 1 336 ? 10.392 -11.513 -19.756 1.00 35.98 ? 337 ASP A CG 1 ATOM 2699 O OD1 . ASP A 1 336 ? 9.682 -10.497 -19.951 1.00 39.97 ? 337 ASP A OD1 1 ATOM 2700 O OD2 . ASP A 1 336 ? 10.194 -12.613 -20.327 1.00 28.96 ? 337 ASP A OD2 1 ATOM 2701 N N . PHE A 1 337 ? 9.981 -8.631 -16.913 1.00 29.87 ? 338 PHE A N 1 ATOM 2702 C CA . PHE A 1 337 ? 8.857 -8.381 -16.014 1.00 32.16 ? 338 PHE A CA 1 ATOM 2703 C C . PHE A 1 337 ? 7.493 -8.707 -16.616 1.00 32.91 ? 338 PHE A C 1 ATOM 2704 O O . PHE A 1 337 ? 6.623 -9.121 -15.881 1.00 35.03 ? 338 PHE A O 1 ATOM 2705 C CB . PHE A 1 337 ? 8.864 -6.957 -15.418 1.00 31.87 ? 338 PHE A CB 1 ATOM 2706 C CG . PHE A 1 337 ? 8.721 -5.832 -16.425 1.00 32.12 ? 338 PHE A CG 1 ATOM 2707 C CD1 . PHE A 1 337 ? 9.843 -5.292 -17.053 1.00 28.83 ? 338 PHE A CD1 1 ATOM 2708 C CD2 . PHE A 1 337 ? 7.463 -5.221 -16.654 1.00 33.67 ? 338 PHE A CD2 1 ATOM 2709 C CE1 . PHE A 1 337 ? 9.711 -4.242 -17.929 1.00 32.19 ? 338 PHE A CE1 1 ATOM 2710 C CE2 . PHE A 1 337 ? 7.327 -4.167 -17.552 1.00 31.09 ? 338 PHE A CE2 1 ATOM 2711 C CZ . PHE A 1 337 ? 8.448 -3.681 -18.191 1.00 34.03 ? 338 PHE A CZ 1 ATOM 2712 N N . ARG A 1 338 ? 7.329 -8.565 -17.932 1.00 34.82 ? 339 ARG A N 1 ATOM 2713 C CA . ARG A 1 338 ? 6.096 -8.962 -18.630 1.00 38.00 ? 339 ARG A CA 1 ATOM 2714 C C . ARG A 1 338 ? 5.970 -10.473 -18.794 1.00 39.54 ? 339 ARG A C 1 ATOM 2715 O O . ARG A 1 338 ? 4.877 -10.989 -19.004 1.00 38.08 ? 339 ARG A O 1 ATOM 2716 C CB . ARG A 1 338 ? 6.025 -8.326 -20.021 1.00 38.56 ? 339 ARG A CB 1 ATOM 2717 C CG . ARG A 1 338 ? 5.466 -6.921 -19.993 1.00 39.13 ? 339 ARG A CG 1 ATOM 2718 C CD . ARG A 1 338 ? 6.018 -6.034 -21.106 1.00 39.77 ? 339 ARG A CD 1 ATOM 2719 N NE . ARG A 1 338 ? 5.738 -4.607 -20.912 1.00 44.38 ? 339 ARG A NE 1 ATOM 2720 C CZ . ARG A 1 338 ? 4.611 -4.084 -20.409 1.00 44.95 ? 339 ARG A CZ 1 ATOM 2721 N NH1 . ARG A 1 338 ? 3.574 -4.841 -20.063 1.00 42.83 ? 339 ARG A NH1 1 ATOM 2722 N NH2 . ARG A 1 338 ? 4.510 -2.760 -20.271 1.00 45.55 ? 339 ARG A NH2 1 ATOM 2723 N N . GLY A 1 339 ? 7.100 -11.163 -18.710 1.00 38.65 ? 340 GLY A N 1 ATOM 2724 C CA . GLY A 1 339 ? 7.176 -12.586 -19.000 1.00 39.61 ? 340 GLY A CA 1 ATOM 2725 C C . GLY A 1 339 ? 6.930 -12.997 -20.443 1.00 38.77 ? 340 GLY A C 1 ATOM 2726 O O . GLY A 1 339 ? 6.679 -14.159 -20.699 1.00 43.07 ? 340 GLY A O 1 ATOM 2727 N N . THR A 1 340 ? 7.008 -12.073 -21.391 1.00 38.12 ? 341 THR A N 1 ATOM 2728 C CA . THR A 1 340 ? 6.614 -12.372 -22.775 1.00 41.43 ? 341 THR A CA 1 ATOM 2729 C C . THR A 1 340 ? 7.766 -12.688 -23.722 1.00 43.06 ? 341 THR A C 1 ATOM 2730 O O . THR A 1 340 ? 7.573 -13.361 -24.749 1.00 47.15 ? 341 THR A O 1 ATOM 2731 C CB . THR A 1 340 ? 5.792 -11.222 -23.377 1.00 44.92 ? 341 THR A CB 1 ATOM 2732 O OG1 . THR A 1 340 ? 6.521 -9.985 -23.271 1.00 42.84 ? 341 THR A OG1 1 ATOM 2733 C CG2 . THR A 1 340 ? 4.432 -11.113 -22.646 1.00 45.22 ? 341 THR A CG2 1 ATOM 2734 N N . PHE A 1 341 ? 8.969 -12.258 -23.361 1.00 40.86 ? 342 PHE A N 1 ATOM 2735 C CA . PHE A 1 341 ? 10.129 -12.406 -24.234 1.00 38.78 ? 342 PHE A CA 1 ATOM 2736 C C . PHE A 1 341 ? 10.844 -13.740 -24.135 1.00 39.20 ? 342 PHE A C 1 ATOM 2737 O O . PHE A 1 341 ? 11.297 -14.241 -25.160 1.00 37.27 ? 342 PHE A O 1 ATOM 2738 C CB . PHE A 1 341 ? 11.144 -11.276 -23.994 1.00 38.53 ? 342 PHE A CB 1 ATOM 2739 C CG . PHE A 1 341 ? 10.543 -9.925 -24.127 1.00 37.23 ? 342 PHE A CG 1 ATOM 2740 C CD1 . PHE A 1 341 ? 9.737 -9.441 -23.117 1.00 36.60 ? 342 PHE A CD1 1 ATOM 2741 C CD2 . PHE A 1 341 ? 10.707 -9.166 -25.279 1.00 38.41 ? 342 PHE A CD2 1 ATOM 2742 C CE1 . PHE A 1 341 ? 9.120 -8.223 -23.233 1.00 36.82 ? 342 PHE A CE1 1 ATOM 2743 C CE2 . PHE A 1 341 ? 10.083 -7.919 -25.396 1.00 37.92 ? 342 PHE A CE2 1 ATOM 2744 C CZ . PHE A 1 341 ? 9.301 -7.453 -24.369 1.00 35.72 ? 342 PHE A CZ 1 ATOM 2745 N N . CYS A 1 342 ? 10.954 -14.305 -22.929 1.00 39.98 ? 343 CYS A N 1 ATOM 2746 C CA . CYS A 1 342 ? 11.951 -15.354 -22.667 1.00 41.55 ? 343 CYS A CA 1 ATOM 2747 C C . CYS A 1 342 ? 11.434 -16.820 -22.775 1.00 47.12 ? 343 CYS A C 1 ATOM 2748 O O . CYS A 1 342 ? 11.948 -17.747 -22.110 1.00 39.72 ? 343 CYS A O 1 ATOM 2749 C CB . CYS A 1 342 ? 12.640 -15.080 -21.329 1.00 41.42 ? 343 CYS A CB 1 ATOM 2750 S SG . CYS A 1 342 ? 13.651 -13.557 -21.339 1.00 44.61 ? 343 CYS A SG 1 ATOM 2751 N N . GLY A 1 343 ? 10.455 -17.031 -23.655 1.00 51.51 ? 344 GLY A N 1 ATOM 2752 C CA . GLY A 1 343 ? 10.055 -18.382 -24.037 1.00 55.05 ? 344 GLY A CA 1 ATOM 2753 C C . GLY A 1 343 ? 9.020 -18.936 -23.093 1.00 57.78 ? 344 GLY A C 1 ATOM 2754 O O . GLY A 1 343 ? 7.929 -19.234 -23.518 1.00 61.04 ? 344 GLY A O 1 ATOM 2755 N N . GLN A 1 344 ? 9.363 -19.070 -21.813 1.00 63.48 ? 345 GLN A N 1 ATOM 2756 C CA . GLN A 1 344 ? 8.393 -19.497 -20.809 1.00 70.18 ? 345 GLN A CA 1 ATOM 2757 C C . GLN A 1 344 ? 7.533 -18.317 -20.442 1.00 68.64 ? 345 GLN A C 1 ATOM 2758 O O . GLN A 1 344 ? 8.034 -17.201 -20.344 1.00 84.47 ? 345 GLN A O 1 ATOM 2759 C CB . GLN A 1 344 ? 9.068 -20.032 -19.547 1.00 75.66 ? 345 GLN A CB 1 ATOM 2760 C CG . GLN A 1 344 ? 8.505 -21.376 -19.104 1.00 80.22 ? 345 GLN A CG 1 ATOM 2761 C CD . GLN A 1 344 ? 9.258 -22.544 -19.733 1.00 83.50 ? 345 GLN A CD 1 ATOM 2762 O OE1 . GLN A 1 344 ? 10.471 -22.693 -19.531 1.00 82.00 ? 345 GLN A OE1 1 ATOM 2763 N NE2 . GLN A 1 344 ? 8.550 -23.377 -20.495 1.00 83.97 ? 345 GLN A NE2 1 ATOM 2764 N N . ASN A 1 345 ? 6.269 -18.508 -20.109 1.00 61.85 ? 346 ASN A N 1 ATOM 2765 C CA . ASN A 1 345 ? 5.386 -17.354 -19.925 1.00 57.03 ? 346 ASN A CA 1 ATOM 2766 C C . ASN A 1 345 ? 5.874 -16.472 -18.773 1.00 57.64 ? 346 ASN A C 1 ATOM 2767 O O . ASN A 1 345 ? 5.429 -15.339 -18.587 1.00 55.32 ? 346 ASN A O 1 ATOM 2768 C CB . ASN A 1 345 ? 3.948 -17.810 -19.671 1.00 57.90 ? 346 ASN A CB 1 ATOM 2769 C CG . ASN A 1 345 ? 2.923 -16.819 -20.187 1.00 55.72 ? 346 ASN A CG 1 ATOM 2770 O OD1 . ASN A 1 345 ? 2.651 -16.757 -21.386 1.00 60.02 ? 346 ASN A OD1 1 ATOM 2771 N ND2 . ASN A 1 345 ? 2.348 -16.038 -19.280 1.00 48.98 ? 346 ASN A ND2 1 ATOM 2772 N N . LEU A 1 346 ? 6.792 -17.042 -18.008 1.00 55.76 ? 347 LEU A N 1 ATOM 2773 C CA . LEU A 1 346 ? 7.107 -16.729 -16.641 1.00 51.32 ? 347 LEU A CA 1 ATOM 2774 C C . LEU A 1 346 ? 7.558 -15.286 -16.603 1.00 46.24 ? 347 LEU A C 1 ATOM 2775 O O . LEU A 1 346 ? 8.423 -14.873 -17.367 1.00 52.56 ? 347 LEU A O 1 ATOM 2776 C CB . LEU A 1 346 ? 8.226 -17.645 -16.129 1.00 56.34 ? 347 LEU A CB 1 ATOM 2777 C CG . LEU A 1 346 ? 8.196 -18.045 -14.644 1.00 57.52 ? 347 LEU A CG 1 ATOM 2778 C CD1 . LEU A 1 346 ? 9.495 -18.747 -14.253 1.00 54.15 ? 347 LEU A CD1 1 ATOM 2779 C CD2 . LEU A 1 346 ? 7.960 -16.854 -13.730 1.00 56.34 ? 347 LEU A CD2 1 ATOM 2780 N N . THR A 1 347 ? 6.981 -14.527 -15.692 1.00 40.08 ? 348 THR A N 1 ATOM 2781 C CA . THR A 1 347 ? 7.375 -13.144 -15.498 1.00 36.94 ? 348 THR A CA 1 ATOM 2782 C C . THR A 1 347 ? 8.376 -13.005 -14.346 1.00 30.31 ? 348 THR A C 1 ATOM 2783 O O . THR A 1 347 ? 8.285 -13.714 -13.329 1.00 26.89 ? 348 THR A O 1 ATOM 2784 C CB . THR A 1 347 ? 6.134 -12.296 -15.210 1.00 40.01 ? 348 THR A CB 1 ATOM 2785 O OG1 . THR A 1 347 ? 5.758 -12.455 -13.848 1.00 40.08 ? 348 THR A OG1 1 ATOM 2786 C CG2 . THR A 1 347 ? 4.950 -12.731 -16.108 1.00 47.65 ? 348 THR A CG2 1 ATOM 2787 N N . PHE A 1 348 ? 9.314 -12.070 -14.480 1.00 26.89 ? 349 PHE A N 1 ATOM 2788 C CA . PHE A 1 348 ? 10.448 -12.016 -13.537 1.00 25.33 ? 349 PHE A CA 1 ATOM 2789 C C . PHE A 1 348 ? 11.147 -13.369 -13.448 1.00 23.38 ? 349 PHE A C 1 ATOM 2790 O O . PHE A 1 348 ? 11.365 -13.897 -12.359 1.00 24.49 ? 349 PHE A O 1 ATOM 2791 C CB . PHE A 1 348 ? 9.989 -11.617 -12.143 1.00 24.36 ? 349 PHE A CB 1 ATOM 2792 C CG . PHE A 1 348 ? 9.365 -10.281 -12.100 1.00 24.73 ? 349 PHE A CG 1 ATOM 2793 C CD1 . PHE A 1 348 ? 10.146 -9.141 -12.232 1.00 24.13 ? 349 PHE A CD1 1 ATOM 2794 C CD2 . PHE A 1 348 ? 7.976 -10.148 -11.966 1.00 25.70 ? 349 PHE A CD2 1 ATOM 2795 C CE1 . PHE A 1 348 ? 9.538 -7.879 -12.215 1.00 25.65 ? 349 PHE A CE1 1 ATOM 2796 C CE2 . PHE A 1 348 ? 7.370 -8.892 -11.928 1.00 24.77 ? 349 PHE A CE2 1 ATOM 2797 C CZ . PHE A 1 348 ? 8.155 -7.750 -12.059 1.00 25.46 ? 349 PHE A CZ 1 ATOM 2798 N N . PRO A 1 349 ? 11.476 -13.948 -14.597 1.00 21.79 ? 350 PRO A N 1 ATOM 2799 C CA . PRO A 1 349 ? 12.128 -15.246 -14.565 1.00 23.39 ? 350 PRO A CA 1 ATOM 2800 C C . PRO A 1 349 ? 13.408 -15.259 -13.739 1.00 24.09 ? 350 PRO A C 1 ATOM 2801 O O . PRO A 1 349 ? 13.614 -16.196 -12.976 1.00 25.17 ? 350 PRO A O 1 ATOM 2802 C CB . PRO A 1 349 ? 12.425 -15.542 -16.053 1.00 23.64 ? 350 PRO A CB 1 ATOM 2803 C CG . PRO A 1 349 ? 12.288 -14.244 -16.787 1.00 23.84 ? 350 PRO A CG 1 ATOM 2804 C CD . PRO A 1 349 ? 11.364 -13.394 -15.962 1.00 22.81 ? 350 PRO A CD 1 ATOM 2805 N N . LEU A 1 350 ? 14.255 -14.230 -13.868 1.00 24.36 ? 351 LEU A N 1 ATOM 2806 C CA . LEU A 1 350 ? 15.528 -14.210 -13.135 1.00 23.48 ? 351 LEU A CA 1 ATOM 2807 C C . LEU A 1 350 ? 15.304 -14.085 -11.650 1.00 23.55 ? 351 LEU A C 1 ATOM 2808 O O . LEU A 1 350 ? 15.892 -14.836 -10.848 1.00 25.33 ? 351 LEU A O 1 ATOM 2809 C CB . LEU A 1 350 ? 16.446 -13.133 -13.683 1.00 24.18 ? 351 LEU A CB 1 ATOM 2810 C CG . LEU A 1 350 ? 17.540 -13.665 -14.618 1.00 25.69 ? 351 LEU A CG 1 ATOM 2811 C CD1 . LEU A 1 350 ? 17.058 -14.664 -15.652 1.00 26.33 ? 351 LEU A CD1 1 ATOM 2812 C CD2 . LEU A 1 350 ? 18.268 -12.514 -15.297 1.00 26.75 ? 351 LEU A CD2 1 ATOM 2813 N N . THR A 1 351 ? 14.408 -13.189 -11.261 1.00 23.48 ? 352 THR A N 1 ATOM 2814 C CA . THR A 1 351 ? 14.162 -12.955 -9.815 1.00 21.92 ? 352 THR A CA 1 ATOM 2815 C C . THR A 1 351 ? 13.467 -14.150 -9.142 1.00 22.88 ? 352 THR A C 1 ATOM 2816 O O . THR A 1 351 ? 13.670 -14.408 -7.932 1.00 22.82 ? 352 THR A O 1 ATOM 2817 C CB . THR A 1 351 ? 13.351 -11.672 -9.567 1.00 20.34 ? 352 THR A CB 1 ATOM 2818 O OG1 . THR A 1 351 ? 13.974 -10.565 -10.209 1.00 22.25 ? 352 THR A OG1 1 ATOM 2819 C CG2 . THR A 1 351 ? 13.297 -11.358 -8.126 1.00 20.38 ? 352 THR A CG2 1 ATOM 2820 N N . SER A 1 352 ? 12.650 -14.875 -9.902 1.00 23.48 ? 353 SER A N 1 ATOM 2821 C CA . SER A 1 352 ? 11.937 -16.034 -9.336 1.00 24.72 ? 353 SER A CA 1 ATOM 2822 C C . SER A 1 352 ? 12.863 -17.209 -9.128 1.00 23.17 ? 353 SER A C 1 ATOM 2823 O O . SER A 1 352 ? 12.792 -17.910 -8.102 1.00 24.58 ? 353 SER A O 1 ATOM 2824 C CB . SER A 1 352 ? 10.778 -16.427 -10.238 1.00 26.14 ? 353 SER A CB 1 ATOM 2825 O OG . SER A 1 352 ? 9.868 -15.339 -10.288 1.00 28.99 ? 353 SER A OG 1 ATOM 2826 N N . ALA A 1 353 ? 13.745 -17.462 -10.091 1.00 22.96 ? 354 ALA A N 1 ATOM 2827 C CA . ALA A 1 353 ? 14.794 -18.493 -9.880 1.00 21.70 ? 354 ALA A CA 1 ATOM 2828 C C . ALA A 1 353 ? 15.509 -18.256 -8.541 1.00 21.76 ? 354 ALA A C 1 ATOM 2829 O O . ALA A 1 353 ? 15.619 -19.154 -7.736 1.00 22.13 ? 354 ALA A O 1 ATOM 2830 C CB . ALA A 1 353 ? 15.763 -18.524 -11.040 1.00 20.65 ? 354 ALA A CB 1 ATOM 2831 N N . ILE A 1 354 ? 15.898 -17.017 -8.249 1.00 23.59 ? 355 ILE A N 1 ATOM 2832 C CA . ILE A 1 354 ? 16.567 -16.727 -6.966 1.00 24.84 ? 355 ILE A CA 1 ATOM 2833 C C . ILE A 1 354 ? 15.676 -17.060 -5.804 1.00 24.65 ? 355 ILE A C 1 ATOM 2834 O O . ILE A 1 354 ? 16.091 -17.696 -4.824 1.00 25.73 ? 355 ILE A O 1 ATOM 2835 C CB . ILE A 1 354 ? 17.017 -15.240 -6.848 1.00 25.78 ? 355 ILE A CB 1 ATOM 2836 C CG1 . ILE A 1 354 ? 18.217 -14.996 -7.756 1.00 26.52 ? 355 ILE A CG1 1 ATOM 2837 C CG2 . ILE A 1 354 ? 17.473 -14.926 -5.430 1.00 25.33 ? 355 ILE A CG2 1 ATOM 2838 C CD1 . ILE A 1 354 ? 18.146 -13.748 -8.607 1.00 28.62 ? 355 ILE A CD1 1 ATOM 2839 N N . LYS A 1 355 ? 14.453 -16.575 -5.911 1.00 25.16 ? 356 LYS A N 1 ATOM 2840 C CA . LYS A 1 355 ? 13.468 -16.738 -4.878 1.00 26.51 ? 356 LYS A CA 1 ATOM 2841 C C . LYS A 1 355 ? 13.187 -18.185 -4.570 1.00 26.49 ? 356 LYS A C 1 ATOM 2842 O O . LYS A 1 355 ? 13.066 -18.559 -3.372 1.00 23.17 ? 356 LYS A O 1 ATOM 2843 C CB . LYS A 1 355 ? 12.136 -16.113 -5.297 1.00 29.30 ? 356 LYS A CB 1 ATOM 2844 C CG . LYS A 1 355 ? 11.071 -16.288 -4.237 1.00 31.00 ? 356 LYS A CG 1 ATOM 2845 C CD . LYS A 1 355 ? 9.720 -15.849 -4.763 1.00 36.95 ? 356 LYS A CD 1 ATOM 2846 C CE . LYS A 1 355 ? 8.757 -15.607 -3.596 1.00 38.88 ? 356 LYS A CE 1 ATOM 2847 N NZ . LYS A 1 355 ? 7.375 -15.994 -3.991 1.00 42.76 ? 356 LYS A NZ 1 ATOM 2848 N N . ASP A 1 356 ? 13.004 -18.959 -5.652 1.00 27.06 ? 357 ASP A N 1 ATOM 2849 C CA . ASP A 1 356 ? 12.838 -20.418 -5.567 1.00 29.77 ? 357 ASP A CA 1 ATOM 2850 C C . ASP A 1 356 ? 14.029 -21.015 -4.812 1.00 29.63 ? 357 ASP A C 1 ATOM 2851 O O . ASP A 1 356 ? 13.850 -21.826 -3.887 1.00 30.47 ? 357 ASP A O 1 ATOM 2852 C CB . ASP A 1 356 ? 12.761 -21.054 -6.961 1.00 32.32 ? 357 ASP A CB 1 ATOM 2853 C CG . ASP A 1 356 ? 11.423 -20.774 -7.691 1.00 34.08 ? 357 ASP A CG 1 ATOM 2854 O OD1 . ASP A 1 356 ? 10.442 -20.446 -6.972 1.00 34.75 ? 357 ASP A OD1 1 ATOM 2855 O OD2 . ASP A 1 356 ? 11.358 -20.904 -8.977 1.00 30.38 ? 357 ASP A OD2 1 ATOM 2856 N N . VAL A 1 357 ? 15.247 -20.595 -5.160 1.00 28.53 ? 358 VAL A N 1 ATOM 2857 C CA . VAL A 1 357 ? 16.396 -21.191 -4.490 1.00 27.17 ? 358 VAL A CA 1 ATOM 2858 C C . VAL A 1 357 ? 16.474 -20.786 -3.043 1.00 23.66 ? 358 VAL A C 1 ATOM 2859 O O . VAL A 1 357 ? 16.851 -21.607 -2.212 1.00 24.86 ? 358 VAL A O 1 ATOM 2860 C CB . VAL A 1 357 ? 17.749 -20.945 -5.197 1.00 28.02 ? 358 VAL A CB 1 ATOM 2861 C CG1 . VAL A 1 357 ? 18.886 -21.590 -4.414 1.00 26.20 ? 358 VAL A CG1 1 ATOM 2862 C CG2 . VAL A 1 357 ? 17.713 -21.495 -6.605 1.00 26.99 ? 358 VAL A CG2 1 ATOM 2863 N N . LEU A 1 358 ? 16.126 -19.558 -2.717 1.00 22.76 ? 359 LEU A N 1 ATOM 2864 C CA . LEU A 1 358 ? 16.283 -19.084 -1.308 1.00 26.24 ? 359 LEU A CA 1 ATOM 2865 C C . LEU A 1 358 ? 15.404 -19.893 -0.347 1.00 26.75 ? 359 LEU A C 1 ATOM 2866 O O . LEU A 1 358 ? 15.663 -20.042 0.868 1.00 30.89 ? 359 LEU A O 1 ATOM 2867 C CB . LEU A 1 358 ? 15.957 -17.577 -1.195 1.00 28.10 ? 359 LEU A CB 1 ATOM 2868 C CG . LEU A 1 358 ? 17.087 -16.520 -1.165 1.00 29.79 ? 359 LEU A CG 1 ATOM 2869 C CD1 . LEU A 1 358 ? 18.502 -17.080 -1.405 1.00 28.25 ? 359 LEU A CD1 1 ATOM 2870 C CD2 . LEU A 1 358 ? 16.776 -15.332 -2.067 1.00 27.14 ? 359 LEU A CD2 1 ATOM 2871 N N . ALA A 1 359 ? 14.344 -20.417 -0.903 1.00 26.75 ? 360 ALA A N 1 ATOM 2872 C CA . ALA A 1 359 ? 13.368 -21.171 -0.145 1.00 28.25 ? 360 ALA A CA 1 ATOM 2873 C C . ALA A 1 359 ? 13.851 -22.594 0.076 1.00 27.54 ? 360 ALA A C 1 ATOM 2874 O O . ALA A 1 359 ? 13.524 -23.172 1.085 1.00 25.49 ? 360 ALA A O 1 ATOM 2875 C CB . ALA A 1 359 ? 11.990 -21.114 -0.858 1.00 28.87 ? 360 ALA A CB 1 ATOM 2876 N N . ARG A 1 360 ? 14.663 -23.158 -0.827 1.00 36.66 ? 361 ARG A N 1 ATOM 2877 C CA . ARG A 1 360 ? 15.223 -24.564 -0.627 1.00 40.78 ? 361 ARG A CA 1 ATOM 2878 C C . ARG A 1 360 ? 15.835 -24.846 0.785 1.00 43.08 ? 361 ARG A C 1 ATOM 2879 O O . ARG A 1 360 ? 16.264 -23.925 1.493 1.00 35.58 ? 361 ARG A O 1 ATOM 2880 C CB . ARG A 1 360 ? 16.297 -24.920 -1.671 1.00 38.83 ? 361 ARG A CB 1 ATOM 2881 C CG . ARG A 1 360 ? 15.860 -25.667 -2.919 1.00 41.40 ? 361 ARG A CG 1 ATOM 2882 C CD . ARG A 1 360 ? 15.660 -24.733 -4.111 1.00 44.73 ? 361 ARG A CD 1 ATOM 2883 N NE . ARG A 1 360 ? 16.194 -25.218 -5.392 1.00 44.96 ? 361 ARG A NE 1 ATOM 2884 C CZ . ARG A 1 360 ? 15.825 -24.761 -6.601 1.00 48.88 ? 361 ARG A CZ 1 ATOM 2885 N NH1 . ARG A 1 360 ? 14.910 -23.801 -6.705 1.00 61.44 ? 361 ARG A NH1 1 ATOM 2886 N NH2 . ARG A 1 360 ? 16.344 -25.263 -7.728 1.00 44.71 ? 361 ARG A NH2 1 ATOM 2887 N N . VAL A 1 361 ? 15.860 -26.127 1.185 1.00 53.94 ? 362 VAL A N 1 ATOM 2888 C CA . VAL A 1 361 ? 16.826 -26.599 2.210 1.00 62.20 ? 362 VAL A CA 1 ATOM 2889 C C . VAL A 1 361 ? 18.208 -26.816 1.557 1.00 68.69 ? 362 VAL A C 1 ATOM 2890 O O . VAL A 1 361 ? 19.099 -25.942 1.646 1.00 66.56 ? 362 VAL A O 1 ATOM 2891 C CB . VAL A 1 361 ? 16.385 -27.906 2.916 1.00 66.85 ? 362 VAL A CB 1 ATOM 2892 C CG1 . VAL A 1 361 ? 17.527 -28.528 3.737 1.00 69.48 ? 362 VAL A CG1 1 ATOM 2893 C CG2 . VAL A 1 361 ? 15.207 -27.633 3.829 1.00 65.58 ? 362 VAL A CG2 1 ATOM 2894 O OXT . VAL A 1 361 ? 18.457 -27.864 0.928 1.00 63.57 ? 362 VAL A OXT 1 HETATM 2895 C C1 . NAG B 2 . ? 17.868 17.927 -7.324 1.00 42.70 ? 401 NAG A C1 1 HETATM 2896 C C2 . NAG B 2 . ? 17.246 18.449 -8.619 1.00 45.34 ? 401 NAG A C2 1 HETATM 2897 C C3 . NAG B 2 . ? 18.164 19.540 -9.189 1.00 44.24 ? 401 NAG A C3 1 HETATM 2898 C C4 . NAG B 2 . ? 18.275 20.641 -8.146 1.00 49.67 ? 401 NAG A C4 1 HETATM 2899 C C5 . NAG B 2 . ? 19.046 19.938 -7.009 1.00 50.46 ? 401 NAG A C5 1 HETATM 2900 C C6 . NAG B 2 . ? 19.631 20.894 -5.974 1.00 45.95 ? 401 NAG A C6 1 HETATM 2901 C C7 . NAG B 2 . ? 15.863 16.962 -10.053 1.00 49.69 ? 401 NAG A C7 1 HETATM 2902 C C8 . NAG B 2 . ? 15.823 15.992 -11.206 1.00 50.38 ? 401 NAG A C8 1 HETATM 2903 N N2 . NAG B 2 . ? 17.057 17.447 -9.677 1.00 46.80 ? 401 NAG A N2 1 HETATM 2904 O O3 . NAG B 2 . ? 17.698 20.019 -10.415 1.00 41.10 ? 401 NAG A O3 1 HETATM 2905 O O4 . NAG B 2 . ? 18.854 21.840 -8.661 1.00 53.56 ? 401 NAG A O4 1 HETATM 2906 O O5 . NAG B 2 . ? 18.175 18.963 -6.409 1.00 47.67 ? 401 NAG A O5 1 HETATM 2907 O O6 . NAG B 2 . ? 18.583 21.446 -5.214 1.00 40.39 ? 401 NAG A O6 1 HETATM 2908 O O7 . NAG B 2 . ? 14.799 17.252 -9.511 1.00 51.41 ? 401 NAG A O7 1 HETATM 2909 C C1 . PYE C 3 . ? 25.322 -0.955 -9.365 1.00 38.72 ? 402 PYE A C1 1 HETATM 2910 C C2 . PYE C 3 . ? 25.832 0.301 -10.060 1.00 37.60 ? 402 PYE A C2 1 HETATM 2911 C C3 . PYE C 3 . ? 25.132 1.544 -9.524 1.00 37.51 ? 402 PYE A C3 1 HETATM 2912 C C4 . PYE C 3 . ? 23.620 1.355 -9.506 1.00 36.40 ? 402 PYE A C4 1 HETATM 2913 C C5 . PYE C 3 . ? 23.242 0.035 -8.845 1.00 36.29 ? 402 PYE A C5 1 HETATM 2914 O O5 . PYE C 3 . ? 23.906 -1.038 -9.510 1.00 38.20 ? 402 PYE A O5 1 HETATM 2915 O O . HOH D 4 . ? 20.782 23.398 6.292 1.00 33.40 ? 501 HOH A O 1 HETATM 2916 O O . HOH D 4 . ? 31.142 17.624 10.306 1.00 37.44 ? 502 HOH A O 1 HETATM 2917 O O . HOH D 4 . ? 36.670 13.814 -2.046 1.00 36.49 ? 503 HOH A O 1 HETATM 2918 O O . HOH D 4 . ? 5.993 4.145 7.522 1.00 16.39 ? 504 HOH A O 1 HETATM 2919 O O . HOH D 4 . ? 38.156 10.093 5.739 1.00 24.58 ? 505 HOH A O 1 HETATM 2920 O O . HOH D 4 . ? 36.675 16.783 6.196 1.00 26.91 ? 506 HOH A O 1 HETATM 2921 O O . HOH D 4 . ? 30.170 -16.528 6.593 1.00 25.94 ? 507 HOH A O 1 HETATM 2922 O O . HOH D 4 . ? 38.833 -11.824 -11.340 1.00 44.35 ? 508 HOH A O 1 HETATM 2923 O O . HOH D 4 . ? 4.309 -7.995 -23.789 1.00 53.99 ? 509 HOH A O 1 HETATM 2924 O O . HOH D 4 . ? 2.895 9.471 -2.117 1.00 19.64 ? 510 HOH A O 1 HETATM 2925 O O . HOH D 4 . ? 21.017 9.218 -9.284 1.00 24.49 ? 511 HOH A O 1 HETATM 2926 O O . HOH D 4 . ? 5.544 -4.552 6.247 1.00 34.08 ? 512 HOH A O 1 HETATM 2927 O O . HOH D 4 . ? 32.568 -10.765 9.786 1.00 24.34 ? 513 HOH A O 1 HETATM 2928 O O . HOH D 4 . ? 27.137 -17.919 -11.083 1.00 22.05 ? 514 HOH A O 1 HETATM 2929 O O . HOH D 4 . ? 19.843 -20.834 -17.042 1.00 33.08 ? 515 HOH A O 1 HETATM 2930 O O . HOH D 4 . ? 32.154 13.889 9.700 1.00 29.44 ? 516 HOH A O 1 HETATM 2931 O O . HOH D 4 . ? 38.527 -0.438 -26.887 1.00 36.25 ? 517 HOH A O 1 HETATM 2932 O O . HOH D 4 . ? 26.681 -11.058 -9.212 1.00 21.67 ? 518 HOH A O 1 HETATM 2933 O O . HOH D 4 . ? 30.664 -2.595 -7.773 1.00 19.43 ? 519 HOH A O 1 HETATM 2934 O O . HOH D 4 . ? 31.829 -4.986 -8.796 1.00 21.79 ? 520 HOH A O 1 HETATM 2935 O O . HOH D 4 . ? 39.427 13.994 5.095 1.00 51.68 ? 521 HOH A O 1 HETATM 2936 O O . HOH D 4 . ? 16.782 -18.574 -27.329 1.00 37.01 ? 522 HOH A O 1 HETATM 2937 O O . HOH D 4 . ? 26.155 4.883 -0.071 1.00 38.08 ? 523 HOH A O 1 HETATM 2938 O O . HOH D 4 . ? 8.019 1.119 8.928 1.00 34.79 ? 524 HOH A O 1 HETATM 2939 O O . HOH D 4 . ? 15.211 -17.624 -19.875 1.00 27.34 ? 525 HOH A O 1 HETATM 2940 O O . HOH D 4 . ? 37.935 16.398 3.885 1.00 51.89 ? 526 HOH A O 1 HETATM 2941 O O . HOH D 4 . ? 1.083 12.704 -10.721 1.00 27.98 ? 527 HOH A O 1 HETATM 2942 O O . HOH D 4 . ? 27.458 -25.030 -10.749 1.00 43.47 ? 528 HOH A O 1 HETATM 2943 O O . HOH D 4 . ? 26.416 -23.118 -13.050 1.00 25.75 ? 529 HOH A O 1 HETATM 2944 O O . HOH D 4 . ? 35.600 -12.000 -17.867 1.00 28.92 ? 530 HOH A O 1 HETATM 2945 O O . HOH D 4 . ? 9.419 -7.837 -19.643 1.00 24.56 ? 531 HOH A O 1 HETATM 2946 O O . HOH D 4 . ? 6.210 -16.458 -22.892 1.00 47.96 ? 532 HOH A O 1 HETATM 2947 O O . HOH D 4 . ? 27.132 -22.103 -5.928 1.00 29.60 ? 533 HOH A O 1 HETATM 2948 O O . HOH D 4 . ? 31.508 0.728 -29.894 1.00 35.47 ? 534 HOH A O 1 HETATM 2949 O O . HOH D 4 . ? 44.085 -1.513 -2.387 1.00 43.57 ? 535 HOH A O 1 HETATM 2950 O O . HOH D 4 . ? 6.772 -16.685 -1.072 1.00 27.87 ? 536 HOH A O 1 HETATM 2951 O O . HOH D 4 . ? 2.778 7.085 -0.746 1.00 27.11 ? 537 HOH A O 1 HETATM 2952 O O . HOH D 4 . ? 25.784 9.506 -5.320 1.00 25.05 ? 538 HOH A O 1 HETATM 2953 O O . HOH D 4 . ? 12.886 -18.793 -13.441 1.00 34.62 ? 539 HOH A O 1 HETATM 2954 O O . HOH D 4 . ? 34.826 15.342 2.212 1.00 30.30 ? 540 HOH A O 1 HETATM 2955 O O . HOH D 4 . ? 38.841 10.219 -3.628 1.00 39.70 ? 541 HOH A O 1 HETATM 2956 O O . HOH D 4 . ? 34.185 8.198 -6.159 1.00 45.31 ? 542 HOH A O 1 HETATM 2957 O O . HOH D 4 . ? 3.908 5.732 6.872 1.00 22.18 ? 543 HOH A O 1 HETATM 2958 O O . HOH D 4 . ? 24.874 -9.768 -15.857 1.00 19.90 ? 544 HOH A O 1 HETATM 2959 O O . HOH D 4 . ? 12.387 5.013 13.056 1.00 26.66 ? 545 HOH A O 1 HETATM 2960 O O . HOH D 4 . ? 20.401 -0.287 -24.224 1.00 29.84 ? 546 HOH A O 1 HETATM 2961 O O . HOH D 4 . ? 21.256 -10.902 -17.578 1.00 27.38 ? 547 HOH A O 1 HETATM 2962 O O . HOH D 4 . ? 33.522 -21.273 -24.953 1.00 41.92 ? 548 HOH A O 1 HETATM 2963 O O . HOH D 4 . ? 15.725 8.862 -9.527 1.00 18.17 ? 549 HOH A O 1 HETATM 2964 O O . HOH D 4 . ? 23.754 -2.287 -25.445 1.00 18.82 ? 550 HOH A O 1 HETATM 2965 O O . HOH D 4 . ? 35.443 0.784 17.168 1.00 50.03 ? 551 HOH A O 1 HETATM 2966 O O . HOH D 4 . ? 32.723 5.262 5.982 1.00 32.58 ? 552 HOH A O 1 HETATM 2967 O O . HOH D 4 . ? 30.780 -7.288 -19.286 1.00 24.88 ? 553 HOH A O 1 HETATM 2968 O O . HOH D 4 . ? 37.632 -8.987 -31.213 1.00 33.00 ? 554 HOH A O 1 HETATM 2969 O O . HOH D 4 . ? 38.675 12.319 -1.857 1.00 32.87 ? 555 HOH A O 1 HETATM 2970 O O . HOH D 4 . ? 37.186 -0.119 -7.208 1.00 23.06 ? 556 HOH A O 1 HETATM 2971 O O . HOH D 4 . ? 24.249 -24.154 3.195 1.00 35.98 ? 557 HOH A O 1 HETATM 2972 O O . HOH D 4 . ? 36.810 -0.738 5.891 1.00 19.93 ? 558 HOH A O 1 HETATM 2973 O O . HOH D 4 . ? 26.868 -12.604 11.556 1.00 44.34 ? 559 HOH A O 1 HETATM 2974 O O . HOH D 4 . ? 19.071 1.625 -18.556 1.00 41.39 ? 560 HOH A O 1 HETATM 2975 O O . HOH D 4 . ? 9.410 -5.971 -21.315 1.00 31.59 ? 561 HOH A O 1 HETATM 2976 O O . HOH D 4 . ? 20.097 23.783 -8.697 1.00 52.97 ? 562 HOH A O 1 HETATM 2977 O O . HOH D 4 . ? 25.983 -20.612 -13.721 1.00 10.47 ? 563 HOH A O 1 HETATM 2978 O O . HOH D 4 . ? 26.216 -24.461 -6.098 1.00 35.76 ? 564 HOH A O 1 HETATM 2979 O O . HOH D 4 . ? 10.798 -13.498 -1.443 1.00 27.42 ? 565 HOH A O 1 HETATM 2980 O O . HOH D 4 . ? 5.307 12.270 7.907 1.00 28.08 ? 566 HOH A O 1 HETATM 2981 O O . HOH D 4 . ? 40.032 -9.707 -17.767 1.00 59.97 ? 567 HOH A O 1 HETATM 2982 O O . HOH D 4 . ? 20.925 20.345 -1.153 1.00 22.39 ? 568 HOH A O 1 HETATM 2983 O O . HOH D 4 . ? 35.044 5.888 9.691 1.00 18.60 ? 569 HOH A O 1 HETATM 2984 O O . HOH D 4 . ? 18.018 25.031 -3.004 1.00 46.85 ? 570 HOH A O 1 HETATM 2985 O O . HOH D 4 . ? 35.328 -21.308 -20.141 1.00 39.01 ? 571 HOH A O 1 HETATM 2986 O O . HOH D 4 . ? 12.116 -17.459 -0.975 1.00 30.19 ? 572 HOH A O 1 HETATM 2987 O O . HOH D 4 . ? 6.839 -12.123 -0.719 1.00 42.34 ? 573 HOH A O 1 HETATM 2988 O O . HOH D 4 . ? 13.199 -18.386 1.572 1.00 34.99 ? 574 HOH A O 1 HETATM 2989 O O . HOH D 4 . ? 21.614 22.323 -9.799 1.00 48.06 ? 575 HOH A O 1 HETATM 2990 O O . HOH D 4 . ? 19.107 25.817 -10.147 1.00 44.20 ? 576 HOH A O 1 HETATM 2991 O O . HOH D 4 . ? 27.455 -22.304 10.162 1.00 67.02 ? 577 HOH A O 1 HETATM 2992 O O . HOH D 4 . ? 31.907 6.044 15.079 1.00 29.29 ? 578 HOH A O 1 HETATM 2993 O O . HOH D 4 . ? -1.899 9.954 -8.451 1.00 43.44 ? 579 HOH A O 1 HETATM 2994 O O . HOH D 4 . ? -0.999 10.512 -12.101 1.00 45.07 ? 580 HOH A O 1 HETATM 2995 O O . HOH D 4 . ? 17.755 -18.887 -18.850 1.00 38.53 ? 581 HOH A O 1 HETATM 2996 O O . HOH D 4 . ? 1.854 -16.346 -16.170 1.00 36.95 ? 582 HOH A O 1 HETATM 2997 O O . HOH D 4 . ? 3.078 11.126 7.675 1.00 27.01 ? 583 HOH A O 1 HETATM 2998 O O . HOH D 4 . ? 4.987 -12.277 3.889 1.00 27.83 ? 584 HOH A O 1 HETATM 2999 O O . HOH D 4 . ? 5.273 17.556 -10.289 1.00 41.01 ? 585 HOH A O 1 HETATM 3000 O O . HOH D 4 . ? 19.594 0.637 -14.838 1.00 31.67 ? 586 HOH A O 1 HETATM 3001 O O . HOH D 4 . ? 27.246 -13.979 -35.801 1.00 47.99 ? 587 HOH A O 1 HETATM 3002 O O . HOH D 4 . ? 33.669 13.065 -3.170 1.00 55.64 ? 588 HOH A O 1 HETATM 3003 O O . HOH D 4 . ? 40.763 -13.471 -13.750 1.00 50.88 ? 589 HOH A O 1 HETATM 3004 O O . HOH D 4 . ? 1.698 -13.135 -6.216 1.00 40.99 ? 590 HOH A O 1 HETATM 3005 O O . HOH D 4 . ? 4.622 -15.928 -5.198 1.00 36.95 ? 591 HOH A O 1 HETATM 3006 O O . HOH D 4 . ? 40.342 -3.607 -30.150 1.00 38.28 ? 592 HOH A O 1 HETATM 3007 O O . HOH D 4 . ? 12.966 -7.643 -31.851 1.00 42.59 ? 593 HOH A O 1 HETATM 3008 O O . HOH D 4 . ? 7.538 -21.953 -23.690 1.00 55.94 ? 594 HOH A O 1 HETATM 3009 O O . HOH D 4 . ? 36.597 -1.492 8.447 1.00 43.59 ? 595 HOH A O 1 HETATM 3010 O O . HOH D 4 . ? 24.418 -15.615 8.925 1.00 35.60 ? 596 HOH A O 1 HETATM 3011 O O . HOH D 4 . ? 17.037 6.045 -22.693 1.00 37.83 ? 597 HOH A O 1 HETATM 3012 O O . HOH D 4 . ? 12.515 -15.012 -0.578 1.00 33.56 ? 598 HOH A O 1 HETATM 3013 O O . HOH D 4 . ? 1.428 9.364 7.488 1.00 46.18 ? 599 HOH A O 1 HETATM 3014 O O . HOH D 4 . ? 7.306 13.497 -18.358 1.00 43.20 ? 600 HOH A O 1 HETATM 3015 O O . HOH D 4 . ? 12.018 12.731 -17.110 1.00 52.00 ? 601 HOH A O 1 HETATM 3016 O O . HOH D 4 . ? 10.021 14.993 -15.793 1.00 49.12 ? 602 HOH A O 1 HETATM 3017 O O . HOH D 4 . ? 6.234 6.346 -21.664 1.00 35.55 ? 603 HOH A O 1 HETATM 3018 O O . HOH D 4 . ? 5.137 8.463 -17.397 1.00 31.09 ? 604 HOH A O 1 HETATM 3019 O O . HOH D 4 . ? 2.393 8.863 -16.354 1.00 37.80 ? 605 HOH A O 1 HETATM 3020 O O . HOH D 4 . ? 16.865 0.351 -14.809 1.00 25.19 ? 606 HOH A O 1 HETATM 3021 O O . HOH D 4 . ? 16.293 12.547 -14.539 1.00 39.39 ? 607 HOH A O 1 HETATM 3022 O O . HOH D 4 . ? 1.057 -11.348 3.224 1.00 36.84 ? 608 HOH A O 1 HETATM 3023 O O . HOH D 4 . ? 0.642 -3.337 -14.815 1.00 45.24 ? 609 HOH A O 1 HETATM 3024 O O . HOH D 4 . ? -1.442 -1.988 -15.604 1.00 51.58 ? 610 HOH A O 1 HETATM 3025 O O . HOH D 4 . ? -1.491 -3.856 -12.135 1.00 44.37 ? 611 HOH A O 1 HETATM 3026 O O . HOH D 4 . ? 1.215 -5.567 -8.742 1.00 51.03 ? 612 HOH A O 1 HETATM 3027 O O . HOH D 4 . ? 25.356 -20.208 12.013 1.00 46.00 ? 613 HOH A O 1 HETATM 3028 O O . HOH D 4 . ? 26.351 0.299 -14.033 1.00 47.56 ? 614 HOH A O 1 HETATM 3029 O O . HOH D 4 . ? 6.957 -16.604 -10.688 1.00 43.81 ? 615 HOH A O 1 HETATM 3030 O O . HOH D 4 . ? -3.394 -3.053 -4.274 1.00 44.81 ? 616 HOH A O 1 HETATM 3031 O O . HOH D 4 . ? 1.336 -10.226 6.004 1.00 39.25 ? 617 HOH A O 1 HETATM 3032 O O . HOH D 4 . ? 15.480 19.948 7.859 1.00 37.35 ? 618 HOH A O 1 HETATM 3033 O O . HOH D 4 . ? 14.507 14.394 18.173 1.00 43.80 ? 619 HOH A O 1 HETATM 3034 O O . HOH D 4 . ? 6.294 -0.152 17.645 1.00 35.15 ? 620 HOH A O 1 HETATM 3035 O O . HOH D 4 . ? 20.395 -4.526 12.229 1.00 38.35 ? 621 HOH A O 1 HETATM 3036 O O . HOH D 4 . ? 19.540 -6.761 10.322 1.00 31.53 ? 622 HOH A O 1 HETATM 3037 O O . HOH D 4 . ? 38.491 -19.548 -10.168 1.00 40.04 ? 623 HOH A O 1 HETATM 3038 O O . HOH D 4 . ? 2.471 -1.764 -18.779 1.00 47.70 ? 624 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 # _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 2013-09-25 # _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 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CE1 _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 TYR _pdbx_validate_rmsd_bond.auth_seq_id_1 185 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CZ _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 TYR _pdbx_validate_rmsd_bond.auth_seq_id_2 185 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.302 _pdbx_validate_rmsd_bond.bond_target_value 1.381 _pdbx_validate_rmsd_bond.bond_deviation -0.079 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.013 _pdbx_validate_rmsd_bond.linker_flag N # 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 ASP 23 ? ? CG A ASP 23 ? ? OD1 A ASP 23 ? ? 124.00 118.30 5.70 0.90 N 2 1 N A ASP 207 ? ? CA A ASP 207 ? ? C A ASP 207 ? ? 94.04 111.00 -16.96 2.70 N 3 1 NE A ARG 265 ? ? CZ A ARG 265 ? ? NH1 A ARG 265 ? ? 123.59 120.30 3.29 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TRP A 48 ? ? -122.06 -63.40 2 1 ASN A 79 ? ? -44.57 -15.12 3 1 ALA A 117 ? ? -112.40 69.55 4 1 TYR A 185 ? ? -146.70 27.17 5 1 SER A 214 ? ? -104.55 47.39 6 1 ASN A 231 ? ? -69.19 0.07 7 1 THR A 251 ? ? -141.23 -3.25 8 1 VAL A 253 ? ? -35.25 123.87 9 1 ASN A 302 ? ? -98.41 30.47 10 1 CYS A 343 ? ? -96.20 31.22 11 1 ARG A 361 ? ? -47.71 155.14 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 TETRAHYDROPYRAN PYE 4 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 1 401 363 NAG NAG A . C 3 PYE 1 402 1 PYE PYE A . D 4 HOH 1 501 1 HOH HOH A . D 4 HOH 2 502 2 HOH HOH A . D 4 HOH 3 503 3 HOH HOH A . D 4 HOH 4 504 4 HOH HOH A . D 4 HOH 5 505 5 HOH HOH A . D 4 HOH 6 506 6 HOH HOH A . D 4 HOH 7 507 7 HOH HOH A . D 4 HOH 8 508 8 HOH HOH A . D 4 HOH 9 509 10 HOH HOH A . D 4 HOH 10 510 11 HOH HOH A . D 4 HOH 11 511 13 HOH HOH A . D 4 HOH 12 512 16 HOH HOH A . D 4 HOH 13 513 17 HOH HOH A . D 4 HOH 14 514 18 HOH HOH A . D 4 HOH 15 515 19 HOH HOH A . D 4 HOH 16 516 20 HOH HOH A . D 4 HOH 17 517 21 HOH HOH A . D 4 HOH 18 518 22 HOH HOH A . D 4 HOH 19 519 23 HOH HOH A . D 4 HOH 20 520 24 HOH HOH A . D 4 HOH 21 521 25 HOH HOH A . D 4 HOH 22 522 26 HOH HOH A . D 4 HOH 23 523 27 HOH HOH A . D 4 HOH 24 524 29 HOH HOH A . D 4 HOH 25 525 31 HOH HOH A . D 4 HOH 26 526 32 HOH HOH A . D 4 HOH 27 527 34 HOH HOH A . D 4 HOH 28 528 35 HOH HOH A . D 4 HOH 29 529 36 HOH HOH A . D 4 HOH 30 530 39 HOH HOH A . D 4 HOH 31 531 40 HOH HOH A . D 4 HOH 32 532 41 HOH HOH A . D 4 HOH 33 533 42 HOH HOH A . D 4 HOH 34 534 43 HOH HOH A . D 4 HOH 35 535 46 HOH HOH A . D 4 HOH 36 536 47 HOH HOH A . D 4 HOH 37 537 49 HOH HOH A . D 4 HOH 38 538 50 HOH HOH A . D 4 HOH 39 539 51 HOH HOH A . D 4 HOH 40 540 54 HOH HOH A . D 4 HOH 41 541 56 HOH HOH A . D 4 HOH 42 542 57 HOH HOH A . D 4 HOH 43 543 58 HOH HOH A . D 4 HOH 44 544 59 HOH HOH A . D 4 HOH 45 545 61 HOH HOH A . D 4 HOH 46 546 63 HOH HOH A . D 4 HOH 47 547 65 HOH HOH A . D 4 HOH 48 548 66 HOH HOH A . D 4 HOH 49 549 67 HOH HOH A . D 4 HOH 50 550 69 HOH HOH A . D 4 HOH 51 551 73 HOH HOH A . D 4 HOH 52 552 74 HOH HOH A . D 4 HOH 53 553 76 HOH HOH A . D 4 HOH 54 554 78 HOH HOH A . D 4 HOH 55 555 79 HOH HOH A . D 4 HOH 56 556 80 HOH HOH A . D 4 HOH 57 557 83 HOH HOH A . D 4 HOH 58 558 84 HOH HOH A . D 4 HOH 59 559 89 HOH HOH A . D 4 HOH 60 560 90 HOH HOH A . D 4 HOH 61 561 91 HOH HOH A . D 4 HOH 62 562 93 HOH HOH A . D 4 HOH 63 563 95 HOH HOH A . D 4 HOH 64 564 99 HOH HOH A . D 4 HOH 65 565 101 HOH HOH A . D 4 HOH 66 566 103 HOH HOH A . D 4 HOH 67 567 105 HOH HOH A . D 4 HOH 68 568 106 HOH HOH A . D 4 HOH 69 569 109 HOH HOH A . D 4 HOH 70 570 110 HOH HOH A . D 4 HOH 71 571 113 HOH HOH A . D 4 HOH 72 572 114 HOH HOH A . D 4 HOH 73 573 115 HOH HOH A . D 4 HOH 74 574 116 HOH HOH A . D 4 HOH 75 575 119 HOH HOH A . D 4 HOH 76 576 120 HOH HOH A . D 4 HOH 77 577 121 HOH HOH A . D 4 HOH 78 578 122 HOH HOH A . D 4 HOH 79 579 123 HOH HOH A . D 4 HOH 80 580 124 HOH HOH A . D 4 HOH 81 581 125 HOH HOH A . D 4 HOH 82 582 126 HOH HOH A . D 4 HOH 83 583 127 HOH HOH A . D 4 HOH 84 584 128 HOH HOH A . D 4 HOH 85 585 129 HOH HOH A . D 4 HOH 86 586 130 HOH HOH A . D 4 HOH 87 587 133 HOH HOH A . D 4 HOH 88 588 134 HOH HOH A . D 4 HOH 89 589 135 HOH HOH A . D 4 HOH 90 590 136 HOH HOH A . D 4 HOH 91 591 137 HOH HOH A . D 4 HOH 92 592 138 HOH HOH A . D 4 HOH 93 593 139 HOH HOH A . D 4 HOH 94 594 140 HOH HOH A . D 4 HOH 95 595 141 HOH HOH A . D 4 HOH 96 596 142 HOH HOH A . D 4 HOH 97 597 143 HOH HOH A . D 4 HOH 98 598 144 HOH HOH A . D 4 HOH 99 599 145 HOH HOH A . D 4 HOH 100 600 146 HOH HOH A . D 4 HOH 101 601 147 HOH HOH A . D 4 HOH 102 602 148 HOH HOH A . D 4 HOH 103 603 149 HOH HOH A . D 4 HOH 104 604 150 HOH HOH A . D 4 HOH 105 605 151 HOH HOH A . D 4 HOH 106 606 152 HOH HOH A . D 4 HOH 107 607 153 HOH HOH A . D 4 HOH 108 608 154 HOH HOH A . D 4 HOH 109 609 155 HOH HOH A . D 4 HOH 110 610 156 HOH HOH A . D 4 HOH 111 611 157 HOH HOH A . D 4 HOH 112 612 158 HOH HOH A . D 4 HOH 113 613 159 HOH HOH A . D 4 HOH 114 614 160 HOH HOH A . D 4 HOH 115 615 161 HOH HOH A . D 4 HOH 116 616 162 HOH HOH A . D 4 HOH 117 617 163 HOH HOH A . D 4 HOH 118 618 164 HOH HOH A . D 4 HOH 119 619 165 HOH HOH A . D 4 HOH 120 620 166 HOH HOH A . D 4 HOH 121 621 167 HOH HOH A . D 4 HOH 122 622 168 HOH HOH A . D 4 HOH 123 623 169 HOH HOH A . D 4 HOH 124 624 171 HOH HOH A . #