data_1IA5 # _entry.id 1IA5 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1IA5 RCSB RCSB013096 WWPDB D_1000013096 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1BHE '1BHE contains the same protein FROM ERWINIA CAROTOVORA SSP.CAROTOVORA' unspecified PDB 1CZF '1CZF contains Endo-Polygalacturonase II From Aspergillus Niger' unspecified PDB 1RMG '1RMG contains RHAMNOGALACTURONASE A' unspecified PDB 1IB4 '1IB4 contains the same protein at PH4.5' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1IA5 _pdbx_database_status.recvd_initial_deposition_date 2001-03-22 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Cho, S.W.' 1 'Lee, S.' 2 'Shin, W.' 3 # _citation.id primary _citation.title ;The X-ray structure of Aspergillus aculeatus polygalacturonase and a modeled structure of the polygalacturonase-octagalacturonate complex. ; _citation.journal_abbrev J.Mol.Biol. _citation.journal_volume 311 _citation.page_first 863 _citation.page_last 878 _citation.year 2001 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 11518536 _citation.pdbx_database_id_DOI 10.1006/jmbi.2001.4919 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Cho, S.W.' 1 primary 'Lee, S.' 2 primary 'Shin, W.' 3 # _cell.entry_id 1IA5 _cell.length_a 104.480 _cell.length_b 86.630 _cell.length_c 37.200 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1IA5 _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 # 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 POLYGALACTURONASE 34675.590 1 3.2.1.15 ? ? ? 2 non-polymer man ALPHA-D-MANNOSE 180.156 11 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 4 water nat water 18.015 193 ? ? ? ? # _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 ;ATTCTFSGSNGASSASKSKTSCSTIVLSNVAVPSGTTLDLTKLNDGTHVIFSGETTFGYKEWSGPLISVSGSDLTITGAS GHSINGDGSRWWDGEGGNGGKTKPKFFAAHSLTNSVISGLKIVNSPVQVFSVAGSDYLTLKDITIDNSDGDDNGGHNTDA FDIGTSTYVTISGATVYNQDDCVAVNSGENIYFSGGYCSGGHGLSIGSVGGRSDNTVKNVTFVDSTIINSDNGVRIKTNI DTTGSVSDVTYKDITLTSIAKYGIVVQQNYGDTSSTPTTGVPITDFVLDNVHGSVVSSGTNILISCGSGSCSDWTWTDVS VSGGKTSSKCTNVPSGASC ; _entity_poly.pdbx_seq_one_letter_code_can ;ATTCTFSGSNGASSASKSKTSCSTIVLSNVAVPSGTTLDLTKLNDGTHVIFSGETTFGYKEWSGPLISVSGSDLTITGAS GHSINGDGSRWWDGEGGNGGKTKPKFFAAHSLTNSVISGLKIVNSPVQVFSVAGSDYLTLKDITIDNSDGDDNGGHNTDA FDIGTSTYVTISGATVYNQDDCVAVNSGENIYFSGGYCSGGHGLSIGSVGGRSDNTVKNVTFVDSTIINSDNGVRIKTNI DTTGSVSDVTYKDITLTSIAKYGIVVQQNYGDTSSTPTTGVPITDFVLDNVHGSVVSSGTNILISCGSGSCSDWTWTDVS VSGGKTSSKCTNVPSGASC ; _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 ALA n 1 2 THR n 1 3 THR n 1 4 CYS n 1 5 THR n 1 6 PHE n 1 7 SER n 1 8 GLY n 1 9 SER n 1 10 ASN n 1 11 GLY n 1 12 ALA n 1 13 SER n 1 14 SER n 1 15 ALA n 1 16 SER n 1 17 LYS n 1 18 SER n 1 19 LYS n 1 20 THR n 1 21 SER n 1 22 CYS n 1 23 SER n 1 24 THR n 1 25 ILE n 1 26 VAL n 1 27 LEU n 1 28 SER n 1 29 ASN n 1 30 VAL n 1 31 ALA n 1 32 VAL n 1 33 PRO n 1 34 SER n 1 35 GLY n 1 36 THR n 1 37 THR n 1 38 LEU n 1 39 ASP n 1 40 LEU n 1 41 THR n 1 42 LYS n 1 43 LEU n 1 44 ASN n 1 45 ASP n 1 46 GLY n 1 47 THR n 1 48 HIS n 1 49 VAL n 1 50 ILE n 1 51 PHE n 1 52 SER n 1 53 GLY n 1 54 GLU n 1 55 THR n 1 56 THR n 1 57 PHE n 1 58 GLY n 1 59 TYR n 1 60 LYS n 1 61 GLU n 1 62 TRP n 1 63 SER n 1 64 GLY n 1 65 PRO n 1 66 LEU n 1 67 ILE n 1 68 SER n 1 69 VAL n 1 70 SER n 1 71 GLY n 1 72 SER n 1 73 ASP n 1 74 LEU n 1 75 THR n 1 76 ILE n 1 77 THR n 1 78 GLY n 1 79 ALA n 1 80 SER n 1 81 GLY n 1 82 HIS n 1 83 SER n 1 84 ILE n 1 85 ASN n 1 86 GLY n 1 87 ASP n 1 88 GLY n 1 89 SER n 1 90 ARG n 1 91 TRP n 1 92 TRP n 1 93 ASP n 1 94 GLY n 1 95 GLU n 1 96 GLY n 1 97 GLY n 1 98 ASN n 1 99 GLY n 1 100 GLY n 1 101 LYS n 1 102 THR n 1 103 LYS n 1 104 PRO n 1 105 LYS n 1 106 PHE n 1 107 PHE n 1 108 ALA n 1 109 ALA n 1 110 HIS n 1 111 SER n 1 112 LEU n 1 113 THR n 1 114 ASN n 1 115 SER n 1 116 VAL n 1 117 ILE n 1 118 SER n 1 119 GLY n 1 120 LEU n 1 121 LYS n 1 122 ILE n 1 123 VAL n 1 124 ASN n 1 125 SER n 1 126 PRO n 1 127 VAL n 1 128 GLN n 1 129 VAL n 1 130 PHE n 1 131 SER n 1 132 VAL n 1 133 ALA n 1 134 GLY n 1 135 SER n 1 136 ASP n 1 137 TYR n 1 138 LEU n 1 139 THR n 1 140 LEU n 1 141 LYS n 1 142 ASP n 1 143 ILE n 1 144 THR n 1 145 ILE n 1 146 ASP n 1 147 ASN n 1 148 SER n 1 149 ASP n 1 150 GLY n 1 151 ASP n 1 152 ASP n 1 153 ASN n 1 154 GLY n 1 155 GLY n 1 156 HIS n 1 157 ASN n 1 158 THR n 1 159 ASP n 1 160 ALA n 1 161 PHE n 1 162 ASP n 1 163 ILE n 1 164 GLY n 1 165 THR n 1 166 SER n 1 167 THR n 1 168 TYR n 1 169 VAL n 1 170 THR n 1 171 ILE n 1 172 SER n 1 173 GLY n 1 174 ALA n 1 175 THR n 1 176 VAL n 1 177 TYR n 1 178 ASN n 1 179 GLN n 1 180 ASP n 1 181 ASP n 1 182 CYS n 1 183 VAL n 1 184 ALA n 1 185 VAL n 1 186 ASN n 1 187 SER n 1 188 GLY n 1 189 GLU n 1 190 ASN n 1 191 ILE n 1 192 TYR n 1 193 PHE n 1 194 SER n 1 195 GLY n 1 196 GLY n 1 197 TYR n 1 198 CYS n 1 199 SER n 1 200 GLY n 1 201 GLY n 1 202 HIS n 1 203 GLY n 1 204 LEU n 1 205 SER n 1 206 ILE n 1 207 GLY n 1 208 SER n 1 209 VAL n 1 210 GLY n 1 211 GLY n 1 212 ARG n 1 213 SER n 1 214 ASP n 1 215 ASN n 1 216 THR n 1 217 VAL n 1 218 LYS n 1 219 ASN n 1 220 VAL n 1 221 THR n 1 222 PHE n 1 223 VAL n 1 224 ASP n 1 225 SER n 1 226 THR n 1 227 ILE n 1 228 ILE n 1 229 ASN n 1 230 SER n 1 231 ASP n 1 232 ASN n 1 233 GLY n 1 234 VAL n 1 235 ARG n 1 236 ILE n 1 237 LYS n 1 238 THR n 1 239 ASN n 1 240 ILE n 1 241 ASP n 1 242 THR n 1 243 THR n 1 244 GLY n 1 245 SER n 1 246 VAL n 1 247 SER n 1 248 ASP n 1 249 VAL n 1 250 THR n 1 251 TYR n 1 252 LYS n 1 253 ASP n 1 254 ILE n 1 255 THR n 1 256 LEU n 1 257 THR n 1 258 SER n 1 259 ILE n 1 260 ALA n 1 261 LYS n 1 262 TYR n 1 263 GLY n 1 264 ILE n 1 265 VAL n 1 266 VAL n 1 267 GLN n 1 268 GLN n 1 269 ASN n 1 270 TYR n 1 271 GLY n 1 272 ASP n 1 273 THR n 1 274 SER n 1 275 SER n 1 276 THR n 1 277 PRO n 1 278 THR n 1 279 THR n 1 280 GLY n 1 281 VAL n 1 282 PRO n 1 283 ILE n 1 284 THR n 1 285 ASP n 1 286 PHE n 1 287 VAL n 1 288 LEU n 1 289 ASP n 1 290 ASN n 1 291 VAL n 1 292 HIS n 1 293 GLY n 1 294 SER n 1 295 VAL n 1 296 VAL n 1 297 SER n 1 298 SER n 1 299 GLY n 1 300 THR n 1 301 ASN n 1 302 ILE n 1 303 LEU n 1 304 ILE n 1 305 SER n 1 306 CYS n 1 307 GLY n 1 308 SER n 1 309 GLY n 1 310 SER n 1 311 CYS n 1 312 SER n 1 313 ASP n 1 314 TRP n 1 315 THR n 1 316 TRP n 1 317 THR n 1 318 ASP n 1 319 VAL n 1 320 SER n 1 321 VAL n 1 322 SER n 1 323 GLY n 1 324 GLY n 1 325 LYS n 1 326 THR n 1 327 SER n 1 328 SER n 1 329 LYS n 1 330 CYS n 1 331 THR n 1 332 ASN n 1 333 VAL n 1 334 PRO n 1 335 SER n 1 336 GLY n 1 337 ALA n 1 338 SER n 1 339 CYS 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 ? _entity_src_nat.pdbx_organism_scientific 'Aspergillus aculeatus' _entity_src_nat.pdbx_ncbi_taxonomy_id 5053 _entity_src_nat.genus Aspergillus _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 GB _struct_ref.db_code AAC23565 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 40 _struct_ref.pdbx_db_accession 3220207 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1IA5 _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 339 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 3220207 _struct_ref_seq.db_align_beg 40 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 378 _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 339 # 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1IA5 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1 _exptl_crystal.density_percent_sol 49.32 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 288 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_details '45% 1,6-HEXANEDIOL, 0.1M TRIS-HCL , 0.2M AMMONIUM ACETATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 288 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'AREA DETECTOR' _diffrn_detector.type 'ENRAF-NONIUS FAST' _diffrn_detector.pdbx_collection_date 1999-10-21 _diffrn_detector.details COLLIMATOR # _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 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU200H' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 1IA5 _reflns.observed_criterion_sigma_I 4 _reflns.observed_criterion_sigma_F 2 _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 2.0 _reflns.number_obs 23026 _reflns.number_all 52967 _reflns.percent_possible_obs 85.1 _reflns.pdbx_Rmerge_I_obs 0.056 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 11.5 _reflns.B_iso_Wilson_estimate 3.3 _reflns.pdbx_redundancy 2.3 _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_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.00 _reflns_shell.d_res_low 2.13 _reflns_shell.percent_possible_all 81.8 _reflns_shell.Rmerge_I_obs 0.124 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 5.3 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1IA5 _refine.ls_number_reflns_obs 21242 _refine.ls_number_reflns_all 21242 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_d_res_low 44.74 _refine.ls_d_res_high 2.00 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.165 _refine.ls_R_factor_all 0.165 _refine.ls_R_factor_R_work 0.171 _refine.ls_R_factor_R_free 0.215 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.990 _refine.ls_number_reflns_R_free 1060 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MIR _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_SU_ML ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 1IA5 _refine_analyze.Luzzati_coordinate_error_obs 0.19 _refine_analyze.Luzzati_sigma_a_obs 0.15 _refine_analyze.Luzzati_d_res_low_obs 5.0 _refine_analyze.Luzzati_coordinate_error_free 0.25 _refine_analyze.Luzzati_sigma_a_free 0.22 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2433 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 149 _refine_hist.number_atoms_solvent 193 _refine_hist.number_atoms_total 2775 _refine_hist.d_res_high 2.00 _refine_hist.d_res_low 44.74 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 2.36 ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.82 ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used ? _refine_ls_shell.d_res_high 2.0 _refine_ls_shell.d_res_low 2.13 _refine_ls_shell.number_reflns_R_work ? _refine_ls_shell.R_factor_R_work 0.202 _refine_ls_shell.percent_reflns_obs 81.8 _refine_ls_shell.R_factor_R_free 0.267 _refine_ls_shell.R_factor_R_free_error 0.020 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 172 _refine_ls_shell.number_reflns_obs 2976 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # _struct.entry_id 1IA5 _struct.title 'POLYGALACTURONASE FROM ASPERGILLUS ACULEATUS' _struct.pdbx_descriptor 'polygalacturonase (E.C.3.2.1.15)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1IA5 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'POLYGALACTURONASE, GLYCOSYLHYDROLASE, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 3 ? M N N 3 ? N N N 2 ? O N N 4 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASN A 10 ? LYS A 19 ? ASN A 10 LYS A 19 1 ? 10 HELX_P HELX_P2 2 THR A 20 ? CYS A 22 ? THR A 20 CYS A 22 5 ? 3 HELX_P HELX_P3 3 ASP A 87 ? TRP A 91 ? ASP A 87 TRP A 91 5 ? 5 HELX_P HELX_P4 4 SER A 148 ? ASP A 151 ? SER A 148 ASP A 151 5 ? 4 # _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 4 SG ? ? ? 1_555 A CYS 22 SG ? ? A CYS 4 A CYS 22 1_555 ? ? ? ? ? ? ? 2.041 ? disulf2 disulf ? ? A CYS 182 SG ? ? ? 1_555 A CYS 198 SG ? ? A CYS 182 A CYS 198 1_555 ? ? ? ? ? ? ? 2.007 ? disulf3 disulf ? ? A CYS 306 SG ? ? ? 1_555 A CYS 311 SG ? ? A CYS 306 A CYS 311 1_555 ? ? ? ? ? ? ? 2.022 ? disulf4 disulf ? ? A CYS 330 SG ? ? ? 1_555 A CYS 339 SG ? ? A CYS 330 A CYS 339 1_555 ? ? ? ? ? ? ? 1.996 ? covale1 covale ? ? M NAG . O4 ? ? ? 1_555 N MAN . C1 ? ? A NAG 352 A MAN 353 1_555 ? ? ? ? ? ? ? 1.342 ? covale2 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 351 A NAG 352 1_555 ? ? ? ? ? ? ? 1.382 ? covale3 covale ? ? A SER 9 OG ? ? ? 1_555 D MAN . C1 ? ? A SER 9 A MAN 409 1_555 ? ? ? ? ? ? ? 1.388 ? covale4 covale ? ? J MAN . C1 ? ? ? 1_555 A THR 24 OG1 ? ? A MAN 424 A THR 24 1_555 ? ? ? ? ? ? ? 1.390 ? covale5 covale ? ? A THR 5 OG1 ? ? ? 1_555 B MAN . C1 ? ? A THR 5 A MAN 405 1_555 ? ? ? ? ? ? ? 1.391 ? covale6 covale ? ? I MAN . C1 ? ? ? 1_555 A SER 23 OG ? ? A MAN 423 A SER 23 1_555 ? ? ? ? ? ? ? 1.393 ? covale7 covale ? ? C MAN . C1 ? ? ? 1_555 A SER 7 OG ? ? A MAN 407 A SER 7 1_555 ? ? ? ? ? ? ? 1.395 ? covale8 covale ? ? A SER 18 OG ? ? ? 1_555 H MAN . C1 ? ? A SER 18 A MAN 418 1_555 ? ? ? ? ? ? ? 1.395 ? covale9 covale ? ? F MAN . C1 ? ? ? 1_555 A SER 14 OG ? ? A MAN 414 A SER 14 1_555 ? ? ? ? ? ? ? 1.397 ? covale10 covale ? ? G MAN . C1 ? ? ? 1_555 A SER 16 OG ? ? A MAN 416 A SER 16 1_555 ? ? ? ? ? ? ? 1.398 ? covale11 covale ? ? K MAN . C1 ? ? ? 1_555 A SER 34 OG ? ? A MAN 434 A SER 34 1_555 ? ? ? ? ? ? ? 1.399 ? covale12 covale ? ? E MAN . C1 ? ? ? 1_555 A SER 13 OG ? ? A MAN 413 A SER 13 1_555 ? ? ? ? ? ? ? 1.401 ? covale13 covale ? ? L NAG . C1 ? ? ? 1_555 A ASN 219 ND2 ? ? A NAG 351 A ASN 219 1_555 ? ? ? ? ? ? ? 1.454 ? # 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 GLY 64 A . ? GLY 64 A PRO 65 A ? PRO 65 A 1 0.76 2 GLY 207 A . ? GLY 207 A SER 208 A ? SER 208 A 1 4.49 # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 40 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel 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 A 10 11 ? parallel A 11 12 ? parallel A 12 13 ? parallel A 13 14 ? parallel A 14 15 ? parallel A 15 16 ? parallel A 16 17 ? parallel A 17 18 ? parallel A 18 19 ? parallel A 19 20 ? parallel A 20 21 ? parallel A 21 22 ? parallel A 22 23 ? parallel A 23 24 ? parallel A 24 25 ? parallel A 25 26 ? parallel A 26 27 ? parallel A 27 28 ? parallel A 28 29 ? parallel A 29 30 ? parallel A 30 31 ? parallel A 31 32 ? parallel A 32 33 ? parallel A 33 34 ? parallel A 34 35 ? parallel A 35 36 ? parallel A 36 37 ? parallel A 37 38 ? parallel A 38 39 ? parallel A 39 40 ? 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 THR A 3 ? SER A 7 ? THR A 3 SER A 7 A 2 THR A 24 ? SER A 28 ? THR A 24 SER A 28 A 3 HIS A 48 ? SER A 52 ? HIS A 48 SER A 52 A 4 THR A 75 ? GLY A 78 ? THR A 75 GLY A 78 A 5 PHE A 107 ? SER A 118 ? PHE A 107 SER A 118 A 6 ILE A 67 ? SER A 72 ? ILE A 67 SER A 72 A 7 LEU A 38 ? LEU A 40 ? LEU A 38 LEU A 40 A 8 ILE A 67 ? SER A 72 ? ILE A 67 SER A 72 A 9 PHE A 107 ? SER A 118 ? PHE A 107 SER A 118 A 10 PHE A 130 ? ALA A 133 ? PHE A 130 ALA A 133 A 11 PHE A 161 ? GLY A 164 ? PHE A 161 GLY A 164 A 12 VAL A 183 ? VAL A 185 ? VAL A 183 VAL A 185 A 13 LEU A 204 ? VAL A 209 ? LEU A 204 VAL A 209 A 14 ASN A 232 ? ASN A 239 ? ASN A 232 ASN A 239 A 15 TYR A 262 ? TYR A 270 ? TYR A 262 TYR A 270 A 16 THR A 300 ? SER A 305 ? THR A 300 SER A 305 A 17 TYR A 262 ? TYR A 270 ? TYR A 262 TYR A 270 A 18 ASN A 232 ? ASN A 239 ? ASN A 232 ASN A 239 A 19 LEU A 204 ? VAL A 209 ? LEU A 204 VAL A 209 A 20 VAL A 183 ? VAL A 185 ? VAL A 183 VAL A 185 A 21 PHE A 161 ? GLY A 164 ? PHE A 161 GLY A 164 A 22 PHE A 130 ? ALA A 133 ? PHE A 130 ALA A 133 A 23 PHE A 107 ? SER A 118 ? PHE A 107 SER A 118 A 24 ASP A 136 ? LYS A 141 ? ASP A 136 LYS A 141 A 25 THR A 167 ? SER A 172 ? THR A 167 SER A 172 A 26 GLY A 188 ? SER A 194 ? GLY A 188 SER A 194 A 27 THR A 216 ? ILE A 228 ? THR A 216 ILE A 228 A 28 SER A 245 ? ILE A 259 ? SER A 245 ILE A 259 A 29 ILE A 283 ? VAL A 295 ? ILE A 283 VAL A 295 A 30 CYS A 311 ? SER A 322 ? CYS A 311 SER A 322 A 31 ILE A 283 ? VAL A 295 ? ILE A 283 VAL A 295 A 32 SER A 245 ? ILE A 259 ? SER A 245 ILE A 259 A 33 THR A 216 ? ILE A 228 ? THR A 216 ILE A 228 A 34 TYR A 197 ? SER A 199 ? TYR A 197 SER A 199 A 35 THR A 175 ? TYR A 177 ? THR A 175 TYR A 177 A 36 THR A 144 ? ASP A 146 ? THR A 144 ASP A 146 A 37 LYS A 121 ? VAL A 123 ? LYS A 121 VAL A 123 A 38 SER A 83 ? ASN A 85 ? SER A 83 ASN A 85 A 39 GLU A 54 ? PHE A 57 ? GLU A 54 PHE A 57 A 40 ALA A 31 ? VAL A 32 ? ALA A 31 VAL A 32 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N CYS A 4 ? N CYS A 4 O THR A 24 ? O THR A 24 A 2 3 N ILE A 25 ? N ILE A 25 O HIS A 48 ? O HIS A 48 A 3 4 N VAL A 49 ? N VAL A 49 O THR A 75 ? O THR A 75 A 4 5 N ILE A 76 ? N ILE A 76 O VAL A 116 ? O VAL A 116 A 5 6 N ALA A 108 ? N ALA A 108 O ILE A 67 ? O ILE A 67 A 6 7 N SER A 68 ? N SER A 68 O LEU A 38 ? O LEU A 38 A 7 8 O LEU A 38 ? O LEU A 38 N SER A 68 ? N SER A 68 A 8 9 O ILE A 67 ? O ILE A 67 N ALA A 108 ? N ALA A 108 A 9 10 O PHE A 107 ? O PHE A 107 N SER A 131 ? N SER A 131 A 10 11 N VAL A 132 ? N VAL A 132 O ASP A 162 ? O ASP A 162 A 11 12 N ILE A 163 ? N ILE A 163 O ALA A 184 ? O ALA A 184 A 12 13 O VAL A 183 ? O VAL A 183 N SER A 205 ? N SER A 205 A 13 14 N LEU A 204 ? N LEU A 204 O GLY A 233 ? O GLY A 233 A 14 15 N GLY A 233 ? N GLY A 233 O TYR A 262 ? O TYR A 262 A 15 16 N GLY A 263 ? N GLY A 263 O THR A 300 ? O THR A 300 A 16 17 O THR A 300 ? O THR A 300 N GLY A 263 ? N GLY A 263 A 17 18 O TYR A 262 ? O TYR A 262 N GLY A 233 ? N GLY A 233 A 18 19 O GLY A 233 ? O GLY A 233 N LEU A 204 ? N LEU A 204 A 19 20 N SER A 205 ? N SER A 205 O VAL A 183 ? O VAL A 183 A 20 21 N ALA A 184 ? N ALA A 184 O PHE A 161 ? O PHE A 161 A 21 22 N ASP A 162 ? N ASP A 162 O PHE A 130 ? O PHE A 130 A 22 23 N SER A 131 ? N SER A 131 O PHE A 107 ? O PHE A 107 A 23 24 N ASN A 114 ? N ASN A 114 O ASP A 136 ? O ASP A 136 A 24 25 N TYR A 137 ? N TYR A 137 O THR A 167 ? O THR A 167 A 25 26 N TYR A 168 ? N TYR A 168 O GLU A 189 ? O GLU A 189 A 26 27 N GLY A 188 ? N GLY A 188 O THR A 216 ? O THR A 216 A 27 28 N VAL A 217 ? N VAL A 217 O SER A 245 ? O SER A 245 A 28 29 O VAL A 246 ? O VAL A 246 N THR A 284 ? N THR A 284 A 29 30 O ILE A 283 ? O ILE A 283 N SER A 312 ? N SER A 312 A 30 31 N SER A 312 ? N SER A 312 O ILE A 283 ? O ILE A 283 A 31 32 N THR A 284 ? N THR A 284 O VAL A 246 ? O VAL A 246 A 32 33 O SER A 245 ? O SER A 245 N VAL A 217 ? N VAL A 217 A 33 34 O THR A 226 ? O THR A 226 N CYS A 198 ? N CYS A 198 A 34 35 N SER A 199 ? N SER A 199 O VAL A 176 ? O VAL A 176 A 35 36 O THR A 175 ? O THR A 175 N ILE A 145 ? N ILE A 145 A 36 37 O THR A 144 ? O THR A 144 N ILE A 122 ? N ILE A 122 A 37 38 O LYS A 121 ? O LYS A 121 N ILE A 84 ? N ILE A 84 A 38 39 N ASN A 85 ? N ASN A 85 O THR A 55 ? O THR A 55 A 39 40 O THR A 56 ? O THR A 56 N VAL A 32 ? N VAL A 32 # 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 MAN A 405' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 407' AC3 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE MAN A 409' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 413' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 414' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 416' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 418' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 423' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 424' BC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 434' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 351' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 352' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 353' # 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 ALA A 1 ? ALA A 1 . ? 2_755 ? 2 AC1 3 THR A 3 ? THR A 3 . ? 2_755 ? 3 AC1 3 THR A 5 ? THR A 5 . ? 1_555 ? 4 AC2 4 SER A 7 ? SER A 7 . ? 1_555 ? 5 AC2 4 THR A 317 ? THR A 317 . ? 3_645 ? 6 AC2 4 ASP A 318 ? ASP A 318 . ? 3_645 ? 7 AC2 4 HOH O . ? HOH A 585 . ? 3_645 ? 8 AC3 11 SER A 9 ? SER A 9 . ? 1_555 ? 9 AC3 11 SER A 213 ? SER A 213 . ? 3_646 ? 10 AC3 11 ASN A 215 ? ASN A 215 . ? 3_646 ? 11 AC3 11 THR A 216 ? THR A 216 . ? 3_646 ? 12 AC3 11 THR A 243 ? THR A 243 . ? 3_646 ? 13 AC3 11 GLY A 244 ? GLY A 244 . ? 3_646 ? 14 AC3 11 SER A 245 ? SER A 245 . ? 3_646 ? 15 AC3 11 ASN A 290 ? ASN A 290 . ? 3_645 ? 16 AC3 11 HIS A 292 ? HIS A 292 . ? 3_645 ? 17 AC3 11 HOH O . ? HOH A 617 . ? 3_646 ? 18 AC3 11 HOH O . ? HOH A 632 . ? 1_555 ? 19 AC4 8 ASN A 10 ? ASN A 10 . ? 1_555 ? 20 AC4 8 SER A 13 ? SER A 13 . ? 1_555 ? 21 AC4 8 LYS A 17 ? LYS A 17 . ? 1_555 ? 22 AC4 8 THR A 284 ? THR A 284 . ? 3_646 ? 23 AC4 8 MAN F . ? MAN A 414 . ? 1_555 ? 24 AC4 8 MAN G . ? MAN A 416 . ? 1_555 ? 25 AC4 8 HOH O . ? HOH A 542 . ? 3_646 ? 26 AC4 8 HOH O . ? HOH A 685 . ? 3_646 ? 27 AC5 8 ALA A 1 ? ALA A 1 . ? 2_755 ? 28 AC5 8 ASN A 10 ? ASN A 10 . ? 1_555 ? 29 AC5 8 SER A 14 ? SER A 14 . ? 1_555 ? 30 AC5 8 MAN E . ? MAN A 413 . ? 1_555 ? 31 AC5 8 MAN H . ? MAN A 418 . ? 1_555 ? 32 AC5 8 HOH O . ? HOH A 520 . ? 1_555 ? 33 AC5 8 HOH O . ? HOH A 684 . ? 1_555 ? 34 AC5 8 HOH O . ? HOH A 692 . ? 1_555 ? 35 AC6 5 SER A 13 ? SER A 13 . ? 1_555 ? 36 AC6 5 SER A 16 ? SER A 16 . ? 1_555 ? 37 AC6 5 ASP A 39 ? ASP A 39 . ? 1_555 ? 38 AC6 5 MAN E . ? MAN A 413 . ? 1_555 ? 39 AC6 5 HOH O . ? HOH A 595 . ? 1_555 ? 40 AC7 7 THR A 2 ? THR A 2 . ? 2_755 ? 41 AC7 7 PHE A 6 ? PHE A 6 . ? 1_555 ? 42 AC7 7 SER A 14 ? SER A 14 . ? 1_555 ? 43 AC7 7 LYS A 17 ? LYS A 17 . ? 1_555 ? 44 AC7 7 SER A 18 ? SER A 18 . ? 1_555 ? 45 AC7 7 MAN F . ? MAN A 414 . ? 1_555 ? 46 AC7 7 MAN I . ? MAN A 423 . ? 2_755 ? 47 AC8 7 ALA A 1 ? ALA A 1 . ? 1_555 ? 48 AC8 7 THR A 20 ? THR A 20 . ? 1_555 ? 49 AC8 7 CYS A 22 ? CYS A 22 . ? 1_555 ? 50 AC8 7 SER A 23 ? SER A 23 . ? 1_555 ? 51 AC8 7 ASN A 44 ? ASN A 44 . ? 1_555 ? 52 AC8 7 MAN H . ? MAN A 418 . ? 2_755 ? 53 AC8 7 HOH O . ? HOH A 527 . ? 1_555 ? 54 AC9 3 THR A 3 ? THR A 3 . ? 1_555 ? 55 AC9 3 THR A 24 ? THR A 24 . ? 1_555 ? 56 AC9 3 HIS A 48 ? HIS A 48 . ? 1_555 ? 57 BC1 8 SER A 34 ? SER A 34 . ? 1_555 ? 58 BC1 8 TYR A 59 ? TYR A 59 . ? 1_555 ? 59 BC1 8 LYS A 60 ? LYS A 60 . ? 1_555 ? 60 BC1 8 THR A 167 ? THR A 167 . ? 3_646 ? 61 BC1 8 GLU A 189 ? GLU A 189 . ? 3_646 ? 62 BC1 8 ASN A 190 ? ASN A 190 . ? 3_646 ? 63 BC1 8 HOH O . ? HOH A 601 . ? 3_646 ? 64 BC1 8 HOH O . ? HOH A 619 . ? 3_646 ? 65 BC2 6 ASN A 190 ? ASN A 190 . ? 1_555 ? 66 BC2 6 ASN A 219 ? ASN A 219 . ? 1_555 ? 67 BC2 6 NAG M . ? NAG A 352 . ? 1_555 ? 68 BC2 6 HOH O . ? HOH A 521 . ? 1_555 ? 69 BC2 6 HOH O . ? HOH A 579 . ? 1_555 ? 70 BC2 6 HOH O . ? HOH A 619 . ? 1_555 ? 71 BC3 3 TYR A 168 ? TYR A 168 . ? 1_555 ? 72 BC3 3 NAG L . ? NAG A 351 . ? 1_555 ? 73 BC3 3 MAN N . ? MAN A 353 . ? 1_555 ? 74 BC4 1 NAG M . ? NAG A 352 . ? 1_555 ? # _database_PDB_matrix.entry_id 1IA5 _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] 0.000000 _database_PDB_matrix.origx_vector[2] 0.000000 _database_PDB_matrix.origx_vector[3] 0.000000 # _atom_sites.entry_id 1IA5 _atom_sites.fract_transf_matrix[1][1] 0.009571 _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] 0.011543 _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] 0.026882 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # 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 . ALA A 1 1 ? 107.100 7.137 13.896 1.00 36.28 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 105.981 6.739 13.037 1.00 25.88 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 105.909 5.212 13.005 1.00 25.59 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 106.916 4.587 12.674 1.00 29.42 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 106.105 7.274 11.620 1.00 27.00 ? 1 ALA A CB 1 ATOM 6 N N . THR A 1 2 ? 104.751 4.702 13.385 1.00 20.94 ? 2 THR A N 1 ATOM 7 C CA . THR A 1 2 ? 104.509 3.264 13.369 1.00 21.17 ? 2 THR A CA 1 ATOM 8 C C . THR A 1 2 ? 103.269 2.946 12.538 1.00 19.35 ? 2 THR A C 1 ATOM 9 O O . THR A 1 2 ? 102.250 3.641 12.485 1.00 17.63 ? 2 THR A O 1 ATOM 10 C CB . THR A 1 2 ? 104.383 2.653 14.775 1.00 22.84 ? 2 THR A CB 1 ATOM 11 O OG1 . THR A 1 2 ? 103.425 3.357 15.572 1.00 26.48 ? 2 THR A OG1 1 ATOM 12 C CG2 . THR A 1 2 ? 105.682 2.809 15.559 1.00 23.62 ? 2 THR A CG2 1 ATOM 13 N N . THR A 1 3 ? 103.402 1.822 11.850 1.00 12.79 ? 3 THR A N 1 ATOM 14 C CA . THR A 1 3 ? 102.258 1.249 11.146 1.00 15.20 ? 3 THR A CA 1 ATOM 15 C C . THR A 1 3 ? 101.948 -0.084 11.825 1.00 20.41 ? 3 THR A C 1 ATOM 16 O O . THR A 1 3 ? 102.877 -0.881 12.044 1.00 20.04 ? 3 THR A O 1 ATOM 17 C CB . THR A 1 3 ? 102.478 1.077 9.649 1.00 10.68 ? 3 THR A CB 1 ATOM 18 O OG1 . THR A 1 3 ? 102.770 2.356 9.065 1.00 18.39 ? 3 THR A OG1 1 ATOM 19 C CG2 . THR A 1 3 ? 101.201 0.556 8.985 1.00 18.23 ? 3 THR A CG2 1 ATOM 20 N N . CYS A 1 4 ? 100.682 -0.255 12.186 1.00 17.33 ? 4 CYS A N 1 ATOM 21 C CA . CYS A 1 4 ? 100.275 -1.491 12.844 1.00 16.44 ? 4 CYS A CA 1 ATOM 22 C C . CYS A 1 4 ? 99.258 -2.238 11.982 1.00 13.93 ? 4 CYS A C 1 ATOM 23 O O . CYS A 1 4 ? 98.312 -1.661 11.459 1.00 14.44 ? 4 CYS A O 1 ATOM 24 C CB . CYS A 1 4 ? 99.658 -1.264 14.215 1.00 13.40 ? 4 CYS A CB 1 ATOM 25 S SG . CYS A 1 4 ? 100.632 -0.320 15.391 1.00 16.68 ? 4 CYS A SG 1 ATOM 26 N N . THR A 1 5 ? 99.484 -3.543 11.858 1.00 12.63 ? 5 THR A N 1 ATOM 27 C CA . THR A 1 5 ? 98.558 -4.323 11.038 1.00 10.13 ? 5 THR A CA 1 ATOM 28 C C . THR A 1 5 ? 97.876 -5.308 11.971 1.00 14.28 ? 5 THR A C 1 ATOM 29 O O . THR A 1 5 ? 98.572 -6.037 12.680 1.00 15.95 ? 5 THR A O 1 ATOM 30 C CB . THR A 1 5 ? 99.306 -5.026 9.909 1.00 19.30 ? 5 THR A CB 1 ATOM 31 O OG1 . THR A 1 5 ? 100.099 -4.089 9.166 1.00 23.84 ? 5 THR A OG1 1 ATOM 32 C CG2 . THR A 1 5 ? 98.325 -5.644 8.937 1.00 24.03 ? 5 THR A CG2 1 ATOM 33 N N . PHE A 1 6 ? 96.558 -5.301 12.018 1.00 13.85 ? 6 PHE A N 1 ATOM 34 C CA . PHE A 1 6 ? 95.801 -6.263 12.805 1.00 11.74 ? 6 PHE A CA 1 ATOM 35 C C . PHE A 1 6 ? 94.878 -7.018 11.856 1.00 14.05 ? 6 PHE A C 1 ATOM 36 O O . PHE A 1 6 ? 94.413 -6.473 10.853 1.00 11.12 ? 6 PHE A O 1 ATOM 37 C CB . PHE A 1 6 ? 95.024 -5.575 13.916 1.00 15.74 ? 6 PHE A CB 1 ATOM 38 C CG . PHE A 1 6 ? 95.860 -4.675 14.814 1.00 10.95 ? 6 PHE A CG 1 ATOM 39 C CD1 . PHE A 1 6 ? 95.729 -3.300 14.755 1.00 16.21 ? 6 PHE A CD1 1 ATOM 40 C CD2 . PHE A 1 6 ? 96.763 -5.210 15.710 1.00 15.38 ? 6 PHE A CD2 1 ATOM 41 C CE1 . PHE A 1 6 ? 96.492 -2.481 15.567 1.00 18.79 ? 6 PHE A CE1 1 ATOM 42 C CE2 . PHE A 1 6 ? 97.530 -4.397 16.527 1.00 17.47 ? 6 PHE A CE2 1 ATOM 43 C CZ . PHE A 1 6 ? 97.399 -3.023 16.454 1.00 14.88 ? 6 PHE A CZ 1 ATOM 44 N N . SER A 1 7 ? 94.648 -8.292 12.152 1.00 12.78 ? 7 SER A N 1 ATOM 45 C CA . SER A 1 7 ? 93.886 -9.099 11.213 1.00 14.41 ? 7 SER A CA 1 ATOM 46 C C . SER A 1 7 ? 93.201 -10.298 11.858 1.00 13.06 ? 7 SER A C 1 ATOM 47 O O . SER A 1 7 ? 93.465 -10.641 13.010 1.00 13.48 ? 7 SER A O 1 ATOM 48 C CB . SER A 1 7 ? 94.871 -9.621 10.159 1.00 18.32 ? 7 SER A CB 1 ATOM 49 O OG . SER A 1 7 ? 95.607 -10.695 10.766 1.00 21.74 ? 7 SER A OG 1 ATOM 50 N N . GLY A 1 8 ? 92.339 -10.942 11.073 1.00 11.78 ? 8 GLY A N 1 ATOM 51 C CA . GLY A 1 8 ? 91.768 -12.203 11.497 1.00 16.89 ? 8 GLY A CA 1 ATOM 52 C C . GLY A 1 8 ? 90.902 -12.106 12.733 1.00 15.48 ? 8 GLY A C 1 ATOM 53 O O . GLY A 1 8 ? 90.347 -11.062 13.092 1.00 12.34 ? 8 GLY A O 1 ATOM 54 N N . SER A 1 9 ? 90.802 -13.260 13.386 1.00 16.19 ? 9 SER A N 1 ATOM 55 C CA . SER A 1 9 ? 89.826 -13.487 14.433 1.00 22.01 ? 9 SER A CA 1 ATOM 56 C C . SER A 1 9 ? 90.196 -12.832 15.747 1.00 17.43 ? 9 SER A C 1 ATOM 57 O O . SER A 1 9 ? 89.348 -12.640 16.624 1.00 16.04 ? 9 SER A O 1 ATOM 58 C CB . SER A 1 9 ? 89.689 -15.016 14.604 1.00 29.69 ? 9 SER A CB 1 ATOM 59 O OG . SER A 1 9 ? 90.932 -15.405 15.198 1.00 38.14 ? 9 SER A OG 1 ATOM 60 N N . ASN A 1 10 ? 91.466 -12.471 15.923 1.00 16.91 ? 10 ASN A N 1 ATOM 61 C CA . ASN A 1 10 ? 91.795 -11.759 17.155 1.00 19.17 ? 10 ASN A CA 1 ATOM 62 C C . ASN A 1 10 ? 92.274 -10.344 16.867 1.00 17.32 ? 10 ASN A C 1 ATOM 63 O O . ASN A 1 10 ? 92.889 -9.709 17.719 1.00 19.46 ? 10 ASN A O 1 ATOM 64 C CB . ASN A 1 10 ? 92.847 -12.516 17.970 1.00 31.59 ? 10 ASN A CB 1 ATOM 65 C CG . ASN A 1 10 ? 92.456 -12.598 19.441 1.00 44.84 ? 10 ASN A CG 1 ATOM 66 O OD1 . ASN A 1 10 ? 91.278 -12.433 19.792 1.00 44.94 ? 10 ASN A OD1 1 ATOM 67 N ND2 . ASN A 1 10 ? 93.431 -12.850 20.315 1.00 57.11 ? 10 ASN A ND2 1 ATOM 68 N N . GLY A 1 11 ? 91.999 -9.844 15.673 1.00 16.70 ? 11 GLY A N 1 ATOM 69 C CA . GLY A 1 11 ? 92.437 -8.509 15.299 1.00 14.20 ? 11 GLY A CA 1 ATOM 70 C C . GLY A 1 11 ? 91.788 -7.432 16.139 1.00 13.67 ? 11 GLY A C 1 ATOM 71 O O . GLY A 1 11 ? 92.438 -6.476 16.571 1.00 13.15 ? 11 GLY A O 1 ATOM 72 N N . ALA A 1 12 ? 90.489 -7.570 16.391 1.00 14.75 ? 12 ALA A N 1 ATOM 73 C CA . ALA A 1 12 ? 89.759 -6.561 17.155 1.00 17.87 ? 12 ALA A CA 1 ATOM 74 C C . ALA A 1 12 ? 90.351 -6.366 18.544 1.00 18.39 ? 12 ALA A C 1 ATOM 75 O O . ALA A 1 12 ? 90.486 -5.246 19.041 1.00 17.67 ? 12 ALA A O 1 ATOM 76 C CB . ALA A 1 12 ? 88.283 -6.927 17.271 1.00 16.90 ? 12 ALA A CB 1 ATOM 77 N N . SER A 1 13 ? 90.713 -7.452 19.219 1.00 20.86 ? 13 SER A N 1 ATOM 78 C CA . SER A 1 13 ? 91.297 -7.341 20.551 1.00 22.88 ? 13 SER A CA 1 ATOM 79 C C . SER A 1 13 ? 92.631 -6.629 20.517 1.00 19.60 ? 13 SER A C 1 ATOM 80 O O . SER A 1 13 ? 92.936 -5.691 21.256 1.00 20.83 ? 13 SER A O 1 ATOM 81 C CB . SER A 1 13 ? 91.489 -8.735 21.163 1.00 33.76 ? 13 SER A CB 1 ATOM 82 O OG . SER A 1 13 ? 91.962 -8.649 22.500 1.00 44.57 ? 13 SER A OG 1 ATOM 83 N N . SER A 1 14 ? 93.499 -7.090 19.618 1.00 16.41 ? 14 SER A N 1 ATOM 84 C CA . SER A 1 14 ? 94.790 -6.408 19.562 1.00 19.46 ? 14 SER A CA 1 ATOM 85 C C . SER A 1 14 ? 94.690 -4.933 19.236 1.00 17.09 ? 14 SER A C 1 ATOM 86 O O . SER A 1 14 ? 95.417 -4.106 19.790 1.00 15.73 ? 14 SER A O 1 ATOM 87 C CB . SER A 1 14 ? 95.653 -7.106 18.495 1.00 19.90 ? 14 SER A CB 1 ATOM 88 O OG . SER A 1 14 ? 95.803 -8.459 18.919 1.00 19.12 ? 14 SER A OG 1 ATOM 89 N N . ALA A 1 15 ? 93.808 -4.621 18.281 1.00 14.55 ? 15 ALA A N 1 ATOM 90 C CA . ALA A 1 15 ? 93.665 -3.233 17.857 1.00 16.11 ? 15 ALA A CA 1 ATOM 91 C C . ALA A 1 15 ? 93.292 -2.393 19.068 1.00 17.11 ? 15 ALA A C 1 ATOM 92 O O . ALA A 1 15 ? 93.801 -1.308 19.339 1.00 17.63 ? 15 ALA A O 1 ATOM 93 C CB . ALA A 1 15 ? 92.616 -3.096 16.763 1.00 17.00 ? 15 ALA A CB 1 ATOM 94 N N . SER A 1 16 ? 92.359 -2.936 19.845 1.00 18.10 ? 16 SER A N 1 ATOM 95 C CA . SER A 1 16 ? 91.877 -2.169 20.983 1.00 22.48 ? 16 SER A CA 1 ATOM 96 C C . SER A 1 16 ? 92.981 -1.924 21.991 1.00 21.89 ? 16 SER A C 1 ATOM 97 O O . SER A 1 16 ? 93.137 -0.866 22.595 1.00 20.87 ? 16 SER A O 1 ATOM 98 C CB . SER A 1 16 ? 90.718 -2.935 21.618 1.00 24.74 ? 16 SER A CB 1 ATOM 99 O OG . SER A 1 16 ? 90.237 -2.213 22.754 1.00 24.81 ? 16 SER A OG 1 ATOM 100 N N . LYS A 1 17 ? 93.800 -2.961 22.191 1.00 20.83 ? 17 LYS A N 1 ATOM 101 C CA . LYS A 1 17 ? 94.801 -2.798 23.251 1.00 22.88 ? 17 LYS A CA 1 ATOM 102 C C . LYS A 1 17 ? 96.039 -2.061 22.752 1.00 20.58 ? 17 LYS A C 1 ATOM 103 O O . LYS A 1 17 ? 96.742 -1.412 23.553 1.00 21.53 ? 17 LYS A O 1 ATOM 104 C CB . LYS A 1 17 ? 95.063 -4.168 23.854 1.00 37.05 ? 17 LYS A CB 1 ATOM 105 C CG . LYS A 1 17 ? 96.282 -4.946 23.417 1.00 51.30 ? 17 LYS A CG 1 ATOM 106 C CD . LYS A 1 17 ? 96.639 -5.988 24.478 1.00 63.18 ? 17 LYS A CD 1 ATOM 107 C CE . LYS A 1 17 ? 97.163 -5.269 25.720 1.00 67.12 ? 17 LYS A CE 1 ATOM 108 N NZ . LYS A 1 17 ? 96.441 -5.710 26.982 1.00 69.28 ? 17 LYS A NZ 1 ATOM 109 N N . SER A 1 18 ? 96.297 -2.006 21.449 1.00 18.76 ? 18 SER A N 1 ATOM 110 C CA . SER A 1 18 ? 97.485 -1.339 20.929 1.00 20.08 ? 18 SER A CA 1 ATOM 111 C C . SER A 1 18 ? 97.261 -0.067 20.126 1.00 21.24 ? 18 SER A C 1 ATOM 112 O O . SER A 1 18 ? 98.238 0.532 19.643 1.00 22.47 ? 18 SER A O 1 ATOM 113 C CB . SER A 1 18 ? 98.238 -2.327 20.020 1.00 23.37 ? 18 SER A CB 1 ATOM 114 O OG . SER A 1 18 ? 98.718 -3.396 20.841 1.00 21.32 ? 18 SER A OG 1 ATOM 115 N N . LYS A 1 19 ? 96.012 0.359 19.980 1.00 17.64 ? 19 LYS A N 1 ATOM 116 C CA . LYS A 1 19 ? 95.694 1.468 19.099 1.00 13.48 ? 19 LYS A CA 1 ATOM 117 C C . LYS A 1 19 ? 96.512 2.716 19.408 1.00 14.24 ? 19 LYS A C 1 ATOM 118 O O . LYS A 1 19 ? 96.837 3.440 18.457 1.00 15.41 ? 19 LYS A O 1 ATOM 119 C CB . LYS A 1 19 ? 94.201 1.796 19.125 1.00 16.65 ? 19 LYS A CB 1 ATOM 120 C CG . LYS A 1 19 ? 93.600 2.075 20.492 1.00 20.07 ? 19 LYS A CG 1 ATOM 121 C CD . LYS A 1 19 ? 92.079 2.161 20.390 1.00 22.37 ? 19 LYS A CD 1 ATOM 122 C CE . LYS A 1 19 ? 91.436 1.810 21.725 1.00 28.10 ? 19 LYS A CE 1 ATOM 123 N NZ . LYS A 1 19 ? 90.050 2.342 21.858 1.00 30.96 ? 19 LYS A NZ 1 ATOM 124 N N . THR A 1 20 ? 96.873 2.967 20.659 1.00 18.66 ? 20 THR A N 1 ATOM 125 C CA . THR A 1 20 ? 97.567 4.231 20.943 1.00 28.58 ? 20 THR A CA 1 ATOM 126 C C . THR A 1 20 ? 99.074 4.192 20.717 1.00 24.48 ? 20 THR A C 1 ATOM 127 O O . THR A 1 20 ? 99.745 5.186 21.006 1.00 18.20 ? 20 THR A O 1 ATOM 128 C CB . THR A 1 20 ? 97.322 4.710 22.390 1.00 31.43 ? 20 THR A CB 1 ATOM 129 O OG1 . THR A 1 20 ? 97.653 3.655 23.297 1.00 33.42 ? 20 THR A OG1 1 ATOM 130 C CG2 . THR A 1 20 ? 95.851 5.075 22.564 1.00 37.00 ? 20 THR A CG2 1 ATOM 131 N N . SER A 1 21 ? 99.605 3.085 20.205 1.00 20.37 ? 21 SER A N 1 ATOM 132 C CA . SER A 1 21 ? 100.998 3.010 19.806 1.00 22.97 ? 21 SER A CA 1 ATOM 133 C C . SER A 1 21 ? 101.130 3.031 18.283 1.00 22.31 ? 21 SER A C 1 ATOM 134 O O . SER A 1 21 ? 102.243 2.862 17.772 1.00 20.03 ? 21 SER A O 1 ATOM 135 C CB . SER A 1 21 ? 101.663 1.715 20.289 1.00 30.52 ? 21 SER A CB 1 ATOM 136 O OG . SER A 1 21 ? 101.522 1.579 21.693 1.00 48.20 ? 21 SER A OG 1 ATOM 137 N N . CYS A 1 22 ? 99.997 3.199 17.614 1.00 14.57 ? 22 CYS A N 1 ATOM 138 C CA . CYS A 1 22 ? 99.945 3.120 16.159 1.00 15.27 ? 22 CYS A CA 1 ATOM 139 C C . CYS A 1 22 ? 99.633 4.466 15.532 1.00 16.32 ? 22 CYS A C 1 ATOM 140 O O . CYS A 1 22 ? 98.587 5.029 15.839 1.00 19.46 ? 22 CYS A O 1 ATOM 141 C CB . CYS A 1 22 ? 98.893 2.083 15.742 1.00 9.65 ? 22 CYS A CB 1 ATOM 142 S SG . CYS A 1 22 ? 99.197 0.508 16.583 1.00 20.17 ? 22 CYS A SG 1 ATOM 143 N N . SER A 1 23 ? 100.491 4.986 14.679 1.00 14.50 ? 23 SER A N 1 ATOM 144 C CA . SER A 1 23 ? 100.257 6.182 13.907 1.00 13.39 ? 23 SER A CA 1 ATOM 145 C C . SER A 1 23 ? 99.261 5.844 12.801 1.00 17.38 ? 23 SER A C 1 ATOM 146 O O . SER A 1 23 ? 98.395 6.635 12.469 1.00 15.00 ? 23 SER A O 1 ATOM 147 C CB . SER A 1 23 ? 101.531 6.751 13.275 1.00 18.81 ? 23 SER A CB 1 ATOM 148 O OG . SER A 1 23 ? 102.506 6.939 14.294 1.00 27.29 ? 23 SER A OG 1 ATOM 149 N N . THR A 1 24 ? 99.450 4.644 12.267 1.00 14.39 ? 24 THR A N 1 ATOM 150 C CA . THR A 1 24 ? 98.577 4.096 11.258 1.00 14.53 ? 24 THR A CA 1 ATOM 151 C C . THR A 1 24 ? 98.146 2.701 11.689 1.00 18.69 ? 24 THR A C 1 ATOM 152 O O . THR A 1 24 ? 98.953 1.845 12.053 1.00 16.69 ? 24 THR A O 1 ATOM 153 C CB . THR A 1 24 ? 99.230 3.992 9.873 1.00 20.31 ? 24 THR A CB 1 ATOM 154 O OG1 . THR A 1 24 ? 99.489 5.328 9.445 1.00 27.04 ? 24 THR A OG1 1 ATOM 155 C CG2 . THR A 1 24 ? 98.312 3.344 8.847 1.00 20.35 ? 24 THR A CG2 1 ATOM 156 N N . ILE A 1 25 ? 96.825 2.520 11.616 1.00 19.26 ? 25 ILE A N 1 ATOM 157 C CA . ILE A 1 25 ? 96.363 1.173 11.921 1.00 19.51 ? 25 ILE A CA 1 ATOM 158 C C . ILE A 1 25 ? 95.716 0.587 10.686 1.00 18.44 ? 25 ILE A C 1 ATOM 159 O O . ILE A 1 25 ? 94.806 1.138 10.060 1.00 15.33 ? 25 ILE A O 1 ATOM 160 C CB . ILE A 1 25 ? 95.509 1.131 13.218 1.00 24.42 ? 25 ILE A CB 1 ATOM 161 C CG1 . ILE A 1 25 ? 94.021 0.841 12.948 1.00 28.62 ? 25 ILE A CG1 1 ATOM 162 C CG2 . ILE A 1 25 ? 95.654 2.302 14.166 1.00 17.51 ? 25 ILE A CG2 1 ATOM 163 C CD1 . ILE A 1 25 ? 93.834 -0.621 13.371 1.00 32.76 ? 25 ILE A CD1 1 ATOM 164 N N . VAL A 1 26 ? 96.248 -0.583 10.269 1.00 17.22 ? 26 VAL A N 1 ATOM 165 C CA . VAL A 1 26 ? 95.533 -1.233 9.174 1.00 16.24 ? 26 VAL A CA 1 ATOM 166 C C . VAL A 1 26 ? 94.850 -2.506 9.673 1.00 15.58 ? 26 VAL A C 1 ATOM 167 O O . VAL A 1 26 ? 95.376 -3.319 10.432 1.00 15.72 ? 26 VAL A O 1 ATOM 168 C CB . VAL A 1 26 ? 96.333 -1.376 7.813 1.00 20.11 ? 26 VAL A CB 1 ATOM 169 C CG1 . VAL A 1 26 ? 97.762 -0.837 7.988 1.00 18.07 ? 26 VAL A CG1 1 ATOM 170 C CG2 . VAL A 1 26 ? 96.285 -2.733 7.184 1.00 21.20 ? 26 VAL A CG2 1 ATOM 171 N N . LEU A 1 27 ? 93.575 -2.626 9.275 1.00 15.87 ? 27 LEU A N 1 ATOM 172 C CA . LEU A 1 27 ? 92.639 -3.643 9.700 1.00 16.91 ? 27 LEU A CA 1 ATOM 173 C C . LEU A 1 27 ? 92.376 -4.531 8.487 1.00 17.40 ? 27 LEU A C 1 ATOM 174 O O . LEU A 1 27 ? 91.733 -4.096 7.543 1.00 18.49 ? 27 LEU A O 1 ATOM 175 C CB . LEU A 1 27 ? 91.355 -3.022 10.234 1.00 13.26 ? 27 LEU A CB 1 ATOM 176 C CG . LEU A 1 27 ? 91.502 -2.266 11.561 1.00 15.34 ? 27 LEU A CG 1 ATOM 177 C CD1 . LEU A 1 27 ? 90.280 -1.396 11.819 1.00 23.88 ? 27 LEU A CD1 1 ATOM 178 C CD2 . LEU A 1 27 ? 91.687 -3.208 12.722 1.00 21.06 ? 27 LEU A CD2 1 ATOM 179 N N . SER A 1 28 ? 92.939 -5.728 8.556 1.00 17.20 ? 28 SER A N 1 ATOM 180 C CA . SER A 1 28 ? 92.927 -6.667 7.448 1.00 21.03 ? 28 SER A CA 1 ATOM 181 C C . SER A 1 28 ? 92.112 -7.918 7.739 1.00 19.46 ? 28 SER A C 1 ATOM 182 O O . SER A 1 28 ? 92.486 -8.730 8.581 1.00 16.03 ? 28 SER A O 1 ATOM 183 C CB . SER A 1 28 ? 94.380 -7.046 7.116 1.00 23.14 ? 28 SER A CB 1 ATOM 184 O OG . SER A 1 28 ? 94.382 -7.922 6.014 1.00 29.50 ? 28 SER A OG 1 ATOM 185 N N . ASN A 1 29 ? 90.986 -8.089 7.054 1.00 15.71 ? 29 ASN A N 1 ATOM 186 C CA . ASN A 1 29 ? 90.142 -9.263 7.224 1.00 14.87 ? 29 ASN A CA 1 ATOM 187 C C . ASN A 1 29 ? 89.829 -9.591 8.671 1.00 13.78 ? 29 ASN A C 1 ATOM 188 O O . ASN A 1 29 ? 89.846 -10.747 9.084 1.00 15.68 ? 29 ASN A O 1 ATOM 189 C CB . ASN A 1 29 ? 90.806 -10.486 6.557 1.00 17.51 ? 29 ASN A CB 1 ATOM 190 C CG . ASN A 1 29 ? 90.814 -10.181 5.068 1.00 22.39 ? 29 ASN A CG 1 ATOM 191 O OD1 . ASN A 1 29 ? 89.749 -10.159 4.463 1.00 20.70 ? 29 ASN A OD1 1 ATOM 192 N ND2 . ASN A 1 29 ? 92.005 -9.911 4.551 1.00 30.83 ? 29 ASN A ND2 1 ATOM 193 N N . VAL A 1 30 ? 89.505 -8.568 9.442 1.00 15.79 ? 30 VAL A N 1 ATOM 194 C CA . VAL A 1 30 ? 89.185 -8.707 10.852 1.00 12.38 ? 30 VAL A CA 1 ATOM 195 C C . VAL A 1 30 ? 87.772 -9.256 11.024 1.00 13.29 ? 30 VAL A C 1 ATOM 196 O O . VAL A 1 30 ? 86.781 -8.816 10.445 1.00 15.59 ? 30 VAL A O 1 ATOM 197 C CB . VAL A 1 30 ? 89.363 -7.369 11.600 1.00 13.77 ? 30 VAL A CB 1 ATOM 198 C CG1 . VAL A 1 30 ? 88.905 -7.497 13.042 1.00 17.95 ? 30 VAL A CG1 1 ATOM 199 C CG2 . VAL A 1 30 ? 90.815 -6.888 11.577 1.00 17.51 ? 30 VAL A CG2 1 ATOM 200 N N . ALA A 1 31 ? 87.672 -10.282 11.854 1.00 10.87 ? 31 ALA A N 1 ATOM 201 C CA . ALA A 1 31 ? 86.399 -10.893 12.204 1.00 12.22 ? 31 ALA A CA 1 ATOM 202 C C . ALA A 1 31 ? 86.072 -10.475 13.624 1.00 10.08 ? 31 ALA A C 1 ATOM 203 O O . ALA A 1 31 ? 86.742 -10.974 14.529 1.00 13.38 ? 31 ALA A O 1 ATOM 204 C CB . ALA A 1 31 ? 86.485 -12.406 12.074 1.00 15.80 ? 31 ALA A CB 1 ATOM 205 N N . VAL A 1 32 ? 85.124 -9.572 13.815 1.00 9.16 ? 32 VAL A N 1 ATOM 206 C CA . VAL A 1 32 ? 84.882 -9.069 15.166 1.00 11.70 ? 32 VAL A CA 1 ATOM 207 C C . VAL A 1 32 ? 84.014 -10.086 15.904 1.00 15.99 ? 32 VAL A C 1 ATOM 208 O O . VAL A 1 32 ? 82.992 -10.480 15.350 1.00 16.24 ? 32 VAL A O 1 ATOM 209 C CB . VAL A 1 32 ? 84.197 -7.707 15.184 1.00 8.59 ? 32 VAL A CB 1 ATOM 210 C CG1 . VAL A 1 32 ? 84.256 -7.045 16.550 1.00 13.77 ? 32 VAL A CG1 1 ATOM 211 C CG2 . VAL A 1 32 ? 84.866 -6.782 14.169 1.00 10.06 ? 32 VAL A CG2 1 ATOM 212 N N . PRO A 1 33 ? 84.434 -10.483 17.096 1.00 13.97 ? 33 PRO A N 1 ATOM 213 C CA . PRO A 1 33 ? 83.634 -11.421 17.875 1.00 15.71 ? 33 PRO A CA 1 ATOM 214 C C . PRO A 1 33 ? 82.237 -10.881 18.165 1.00 15.07 ? 33 PRO A C 1 ATOM 215 O O . PRO A 1 33 ? 82.011 -9.684 18.307 1.00 16.38 ? 33 PRO A O 1 ATOM 216 C CB . PRO A 1 33 ? 84.373 -11.581 19.194 1.00 16.06 ? 33 PRO A CB 1 ATOM 217 C CG . PRO A 1 33 ? 85.738 -11.039 18.964 1.00 21.39 ? 33 PRO A CG 1 ATOM 218 C CD . PRO A 1 33 ? 85.649 -10.077 17.814 1.00 21.96 ? 33 PRO A CD 1 ATOM 219 N N . SER A 1 34 ? 81.322 -11.832 18.269 1.00 13.60 ? 34 SER A N 1 ATOM 220 C CA . SER A 1 34 ? 79.935 -11.524 18.594 1.00 13.86 ? 34 SER A CA 1 ATOM 221 C C . SER A 1 34 ? 79.846 -10.617 19.805 1.00 14.77 ? 34 SER A C 1 ATOM 222 O O . SER A 1 34 ? 80.606 -10.731 20.767 1.00 16.22 ? 34 SER A O 1 ATOM 223 C CB . SER A 1 34 ? 79.195 -12.852 18.808 1.00 19.46 ? 34 SER A CB 1 ATOM 224 O OG . SER A 1 34 ? 79.648 -13.540 19.969 1.00 22.37 ? 34 SER A OG 1 ATOM 225 N N . GLY A 1 35 ? 78.872 -9.708 19.830 1.00 16.32 ? 35 GLY A N 1 ATOM 226 C CA . GLY A 1 35 ? 78.587 -8.970 21.040 1.00 13.87 ? 35 GLY A CA 1 ATOM 227 C C . GLY A 1 35 ? 79.656 -7.996 21.437 1.00 13.51 ? 35 GLY A C 1 ATOM 228 O O . GLY A 1 35 ? 79.677 -7.468 22.557 1.00 20.87 ? 35 GLY A O 1 ATOM 229 N N . THR A 1 36 ? 80.577 -7.721 20.525 1.00 15.07 ? 36 THR A N 1 ATOM 230 C CA . THR A 1 36 ? 81.632 -6.763 20.855 1.00 15.02 ? 36 THR A CA 1 ATOM 231 C C . THR A 1 36 ? 81.790 -5.697 19.782 1.00 12.81 ? 36 THR A C 1 ATOM 232 O O . THR A 1 36 ? 81.582 -5.904 18.590 1.00 15.37 ? 36 THR A O 1 ATOM 233 C CB . THR A 1 36 ? 82.990 -7.466 21.060 1.00 20.22 ? 36 THR A CB 1 ATOM 234 O OG1 . THR A 1 36 ? 83.582 -7.717 19.788 1.00 27.53 ? 36 THR A OG1 1 ATOM 235 C CG2 . THR A 1 36 ? 82.824 -8.845 21.719 1.00 19.03 ? 36 THR A CG2 1 ATOM 236 N N . THR A 1 37 ? 82.184 -4.513 20.226 1.00 14.83 ? 37 THR A N 1 ATOM 237 C CA . THR A 1 37 ? 82.500 -3.393 19.377 1.00 13.52 ? 37 THR A CA 1 ATOM 238 C C . THR A 1 37 ? 83.955 -3.388 18.918 1.00 16.85 ? 37 THR A C 1 ATOM 239 O O . THR A 1 37 ? 84.851 -3.585 19.736 1.00 15.66 ? 37 THR A O 1 ATOM 240 C CB . THR A 1 37 ? 82.247 -2.083 20.152 1.00 14.94 ? 37 THR A CB 1 ATOM 241 O OG1 . THR A 1 37 ? 80.924 -2.168 20.690 1.00 16.55 ? 37 THR A OG1 1 ATOM 242 C CG2 . THR A 1 37 ? 82.328 -0.881 19.225 1.00 16.21 ? 37 THR A CG2 1 ATOM 243 N N . LEU A 1 38 ? 84.183 -3.140 17.639 1.00 15.46 ? 38 LEU A N 1 ATOM 244 C CA . LEU A 1 38 ? 85.502 -2.770 17.129 1.00 14.35 ? 38 LEU A CA 1 ATOM 245 C C . LEU A 1 38 ? 85.756 -1.362 17.695 1.00 14.63 ? 38 LEU A C 1 ATOM 246 O O . LEU A 1 38 ? 85.243 -0.358 17.181 1.00 12.24 ? 38 LEU A O 1 ATOM 247 C CB . LEU A 1 38 ? 85.548 -2.758 15.623 1.00 18.19 ? 38 LEU A CB 1 ATOM 248 C CG . LEU A 1 38 ? 86.816 -3.011 14.828 1.00 24.24 ? 38 LEU A CG 1 ATOM 249 C CD1 . LEU A 1 38 ? 86.670 -2.481 13.400 1.00 16.92 ? 38 LEU A CD1 1 ATOM 250 C CD2 . LEU A 1 38 ? 88.031 -2.428 15.530 1.00 31.24 ? 38 LEU A CD2 1 ATOM 251 N N . ASP A 1 39 ? 86.504 -1.338 18.780 1.00 13.70 ? 39 ASP A N 1 ATOM 252 C CA . ASP A 1 39 ? 86.665 -0.137 19.582 1.00 16.04 ? 39 ASP A CA 1 ATOM 253 C C . ASP A 1 39 ? 87.887 0.664 19.150 1.00 14.62 ? 39 ASP A C 1 ATOM 254 O O . ASP A 1 39 ? 89.029 0.477 19.545 1.00 14.30 ? 39 ASP A O 1 ATOM 255 C CB . ASP A 1 39 ? 86.737 -0.507 21.063 1.00 20.95 ? 39 ASP A CB 1 ATOM 256 C CG . ASP A 1 39 ? 86.735 0.703 21.980 1.00 22.63 ? 39 ASP A CG 1 ATOM 257 O OD1 . ASP A 1 39 ? 86.842 1.854 21.512 1.00 20.41 ? 39 ASP A OD1 1 ATOM 258 O OD2 . ASP A 1 39 ? 86.628 0.499 23.208 1.00 27.93 ? 39 ASP A OD2 1 ATOM 259 N N . LEU A 1 40 ? 87.595 1.623 18.288 1.00 16.04 ? 40 LEU A N 1 ATOM 260 C CA . LEU A 1 40 ? 88.564 2.605 17.809 1.00 11.58 ? 40 LEU A CA 1 ATOM 261 C C . LEU A 1 40 ? 88.300 3.964 18.454 1.00 12.01 ? 40 LEU A C 1 ATOM 262 O O . LEU A 1 40 ? 88.567 5.039 17.917 1.00 11.18 ? 40 LEU A O 1 ATOM 263 C CB . LEU A 1 40 ? 88.452 2.709 16.303 1.00 17.96 ? 40 LEU A CB 1 ATOM 264 C CG . LEU A 1 40 ? 89.277 1.846 15.355 1.00 19.82 ? 40 LEU A CG 1 ATOM 265 C CD1 . LEU A 1 40 ? 90.075 0.767 16.057 1.00 22.37 ? 40 LEU A CD1 1 ATOM 266 C CD2 . LEU A 1 40 ? 88.367 1.263 14.287 1.00 26.44 ? 40 LEU A CD2 1 ATOM 267 N N . THR A 1 41 ? 87.783 3.936 19.679 1.00 14.99 ? 41 THR A N 1 ATOM 268 C CA . THR A 1 41 ? 87.592 5.197 20.383 1.00 14.20 ? 41 THR A CA 1 ATOM 269 C C . THR A 1 41 ? 88.896 5.730 20.958 1.00 14.35 ? 41 THR A C 1 ATOM 270 O O . THR A 1 41 ? 89.814 4.983 21.290 1.00 15.50 ? 41 THR A O 1 ATOM 271 C CB . THR A 1 41 ? 86.589 5.050 21.537 1.00 20.03 ? 41 THR A CB 1 ATOM 272 O OG1 . THR A 1 41 ? 87.140 4.172 22.525 1.00 20.02 ? 41 THR A OG1 1 ATOM 273 C CG2 . THR A 1 41 ? 85.293 4.438 21.029 1.00 23.02 ? 41 THR A CG2 1 ATOM 274 N N . LYS A 1 42 ? 88.924 7.046 21.061 1.00 16.67 ? 42 LYS A N 1 ATOM 275 C CA . LYS A 1 42 ? 90.011 7.766 21.711 1.00 19.68 ? 42 LYS A CA 1 ATOM 276 C C . LYS A 1 42 ? 91.351 7.456 21.062 1.00 21.85 ? 42 LYS A C 1 ATOM 277 O O . LYS A 1 42 ? 92.321 7.096 21.737 1.00 19.00 ? 42 LYS A O 1 ATOM 278 C CB . LYS A 1 42 ? 90.034 7.407 23.198 1.00 20.75 ? 42 LYS A CB 1 ATOM 279 C CG . LYS A 1 42 ? 88.748 7.727 23.936 1.00 30.54 ? 42 LYS A CG 1 ATOM 280 C CD . LYS A 1 42 ? 88.833 7.368 25.410 1.00 36.52 ? 42 LYS A CD 1 ATOM 281 C CE . LYS A 1 42 ? 87.520 7.623 26.143 1.00 45.21 ? 42 LYS A CE 1 ATOM 282 N NZ . LYS A 1 42 ? 87.311 9.046 26.539 1.00 60.64 ? 42 LYS A NZ 1 ATOM 283 N N . LEU A 1 43 ? 91.391 7.593 19.740 1.00 21.69 ? 43 LEU A N 1 ATOM 284 C CA . LEU A 1 43 ? 92.630 7.450 18.991 1.00 20.73 ? 43 LEU A CA 1 ATOM 285 C C . LEU A 1 43 ? 93.514 8.669 19.205 1.00 22.09 ? 43 LEU A C 1 ATOM 286 O O . LEU A 1 43 ? 93.026 9.753 19.498 1.00 16.57 ? 43 LEU A O 1 ATOM 287 C CB . LEU A 1 43 ? 92.353 7.296 17.499 1.00 15.00 ? 43 LEU A CB 1 ATOM 288 C CG . LEU A 1 43 ? 91.557 6.063 17.088 1.00 16.36 ? 43 LEU A CG 1 ATOM 289 C CD1 . LEU A 1 43 ? 91.594 5.932 15.567 1.00 18.11 ? 43 LEU A CD1 1 ATOM 290 C CD2 . LEU A 1 43 ? 92.103 4.823 17.766 1.00 20.10 ? 43 LEU A CD2 1 ATOM 291 N N . ASN A 1 44 ? 94.827 8.491 19.049 1.00 24.49 ? 44 ASN A N 1 ATOM 292 C CA . ASN A 1 44 ? 95.637 9.708 19.218 1.00 22.65 ? 44 ASN A CA 1 ATOM 293 C C . ASN A 1 44 ? 95.325 10.642 18.064 1.00 18.46 ? 44 ASN A C 1 ATOM 294 O O . ASN A 1 44 ? 94.923 10.162 17.003 1.00 16.13 ? 44 ASN A O 1 ATOM 295 C CB . ASN A 1 44 ? 97.118 9.346 19.325 1.00 26.82 ? 44 ASN A CB 1 ATOM 296 C CG . ASN A 1 44 ? 97.364 8.620 20.639 1.00 28.92 ? 44 ASN A CG 1 ATOM 297 O OD1 . ASN A 1 44 ? 96.777 8.957 21.663 1.00 30.07 ? 44 ASN A OD1 1 ATOM 298 N ND2 . ASN A 1 44 ? 98.218 7.618 20.590 1.00 35.91 ? 44 ASN A ND2 1 ATOM 299 N N . ASP A 1 45 ? 95.499 11.941 18.290 1.00 22.15 ? 45 ASP A N 1 ATOM 300 C CA . ASP A 1 45 ? 95.329 12.909 17.217 1.00 23.68 ? 45 ASP A CA 1 ATOM 301 C C . ASP A 1 45 ? 96.125 12.479 15.988 1.00 20.63 ? 45 ASP A C 1 ATOM 302 O O . ASP A 1 45 ? 97.284 12.060 16.120 1.00 20.87 ? 45 ASP A O 1 ATOM 303 C CB . ASP A 1 45 ? 95.802 14.304 17.617 1.00 23.55 ? 45 ASP A CB 1 ATOM 304 C CG . ASP A 1 45 ? 95.094 14.935 18.785 1.00 26.65 ? 45 ASP A CG 1 ATOM 305 O OD1 . ASP A 1 45 ? 94.232 14.278 19.403 1.00 24.78 ? 45 ASP A OD1 1 ATOM 306 O OD2 . ASP A 1 45 ? 95.406 16.115 19.072 1.00 36.15 ? 45 ASP A OD2 1 ATOM 307 N N . GLY A 1 46 ? 95.533 12.610 14.812 1.00 14.85 ? 46 GLY A N 1 ATOM 308 C CA . GLY A 1 46 ? 96.204 12.369 13.552 1.00 17.52 ? 46 GLY A CA 1 ATOM 309 C C . GLY A 1 46 ? 96.349 10.920 13.138 1.00 15.97 ? 46 GLY A C 1 ATOM 310 O O . GLY A 1 46 ? 96.967 10.613 12.110 1.00 16.22 ? 46 GLY A O 1 ATOM 311 N N . THR A 1 47 ? 95.792 9.990 13.890 1.00 12.64 ? 47 THR A N 1 ATOM 312 C CA . THR A 1 47 ? 95.841 8.580 13.538 1.00 13.69 ? 47 THR A CA 1 ATOM 313 C C . THR A 1 47 ? 95.141 8.321 12.211 1.00 18.88 ? 47 THR A C 1 ATOM 314 O O . THR A 1 47 ? 94.110 8.928 11.930 1.00 15.30 ? 47 THR A O 1 ATOM 315 C CB . THR A 1 47 ? 95.158 7.739 14.629 1.00 12.50 ? 47 THR A CB 1 ATOM 316 O OG1 . THR A 1 47 ? 95.831 7.956 15.876 1.00 19.30 ? 47 THR A OG1 1 ATOM 317 C CG2 . THR A 1 47 ? 95.210 6.258 14.323 1.00 13.60 ? 47 THR A CG2 1 ATOM 318 N N . HIS A 1 48 ? 95.695 7.428 11.405 1.00 16.68 ? 48 HIS A N 1 ATOM 319 C CA . HIS A 1 48 ? 95.068 7.005 10.155 1.00 15.96 ? 48 HIS A CA 1 ATOM 320 C C . HIS A 1 48 ? 94.625 5.551 10.315 1.00 17.31 ? 48 HIS A C 1 ATOM 321 O O . HIS A 1 48 ? 95.415 4.698 10.737 1.00 14.06 ? 48 HIS A O 1 ATOM 322 C CB . HIS A 1 48 ? 96.037 7.212 9.007 1.00 21.55 ? 48 HIS A CB 1 ATOM 323 C CG . HIS A 1 48 ? 95.502 7.041 7.630 1.00 33.67 ? 48 HIS A CG 1 ATOM 324 N ND1 . HIS A 1 48 ? 96.048 7.687 6.539 1.00 39.11 ? 48 HIS A ND1 1 ATOM 325 C CD2 . HIS A 1 48 ? 94.478 6.288 7.129 1.00 38.51 ? 48 HIS A CD2 1 ATOM 326 C CE1 . HIS A 1 48 ? 95.385 7.346 5.445 1.00 42.92 ? 48 HIS A CE1 1 ATOM 327 N NE2 . HIS A 1 48 ? 94.415 6.489 5.774 1.00 36.12 ? 48 HIS A NE2 1 ATOM 328 N N . VAL A 1 49 ? 93.374 5.260 9.994 1.00 13.16 ? 49 VAL A N 1 ATOM 329 C CA . VAL A 1 49 ? 92.834 3.903 10.047 1.00 11.06 ? 49 VAL A CA 1 ATOM 330 C C . VAL A 1 49 ? 92.454 3.467 8.635 1.00 13.32 ? 49 VAL A C 1 ATOM 331 O O . VAL A 1 49 ? 91.758 4.179 7.912 1.00 13.25 ? 49 VAL A O 1 ATOM 332 C CB . VAL A 1 49 ? 91.617 3.811 10.970 1.00 13.84 ? 49 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 49 ? 91.066 2.386 11.032 1.00 12.97 ? 49 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 49 ? 91.973 4.308 12.363 1.00 13.24 ? 49 VAL A CG2 1 ATOM 335 N N . ILE A 1 50 ? 92.949 2.322 8.197 1.00 11.71 ? 50 ILE A N 1 ATOM 336 C CA . ILE A 1 50 ? 92.653 1.765 6.890 1.00 10.25 ? 50 ILE A CA 1 ATOM 337 C C . ILE A 1 50 ? 91.979 0.405 7.042 1.00 11.89 ? 50 ILE A C 1 ATOM 338 O O . ILE A 1 50 ? 92.524 -0.481 7.706 1.00 16.73 ? 50 ILE A O 1 ATOM 339 C CB . ILE A 1 50 ? 93.905 1.608 6.009 1.00 13.97 ? 50 ILE A CB 1 ATOM 340 C CG1 . ILE A 1 50 ? 94.661 2.917 5.774 1.00 16.95 ? 50 ILE A CG1 1 ATOM 341 C CG2 . ILE A 1 50 ? 93.526 0.955 4.689 1.00 20.80 ? 50 ILE A CG2 1 ATOM 342 C CD1 . ILE A 1 50 ? 96.147 2.761 5.538 1.00 25.01 ? 50 ILE A CD1 1 ATOM 343 N N . PHE A 1 51 ? 90.810 0.292 6.442 1.00 11.07 ? 51 PHE A N 1 ATOM 344 C CA . PHE A 1 51 ? 90.065 -0.949 6.379 1.00 11.15 ? 51 PHE A CA 1 ATOM 345 C C . PHE A 1 51 ? 90.506 -1.700 5.128 1.00 13.32 ? 51 PHE A C 1 ATOM 346 O O . PHE A 1 51 ? 90.476 -1.139 4.038 1.00 13.94 ? 51 PHE A O 1 ATOM 347 C CB . PHE A 1 51 ? 88.555 -0.737 6.310 1.00 15.57 ? 51 PHE A CB 1 ATOM 348 C CG . PHE A 1 51 ? 87.942 -0.431 7.664 1.00 16.66 ? 51 PHE A CG 1 ATOM 349 C CD1 . PHE A 1 51 ? 87.433 -1.445 8.448 1.00 16.14 ? 51 PHE A CD1 1 ATOM 350 C CD2 . PHE A 1 51 ? 87.913 0.873 8.124 1.00 20.02 ? 51 PHE A CD2 1 ATOM 351 C CE1 . PHE A 1 51 ? 86.894 -1.172 9.687 1.00 15.55 ? 51 PHE A CE1 1 ATOM 352 C CE2 . PHE A 1 51 ? 87.352 1.145 9.355 1.00 20.13 ? 51 PHE A CE2 1 ATOM 353 C CZ . PHE A 1 51 ? 86.844 0.135 10.138 1.00 18.20 ? 51 PHE A CZ 1 ATOM 354 N N . SER A 1 52 ? 90.901 -2.943 5.313 1.00 14.55 ? 52 SER A N 1 ATOM 355 C CA . SER A 1 52 ? 91.391 -3.730 4.183 1.00 15.36 ? 52 SER A CA 1 ATOM 356 C C . SER A 1 52 ? 90.770 -5.110 4.231 1.00 15.53 ? 52 SER A C 1 ATOM 357 O O . SER A 1 52 ? 90.429 -5.646 5.290 1.00 15.18 ? 52 SER A O 1 ATOM 358 C CB . SER A 1 52 ? 92.915 -3.666 4.287 1.00 21.99 ? 52 SER A CB 1 ATOM 359 O OG . SER A 1 52 ? 93.536 -4.445 3.299 1.00 30.05 ? 52 SER A OG 1 ATOM 360 N N . GLY A 1 53 ? 90.560 -5.733 3.082 1.00 15.51 ? 53 GLY A N 1 ATOM 361 C CA . GLY A 1 53 ? 89.895 -7.011 2.998 1.00 16.86 ? 53 GLY A CA 1 ATOM 362 C C . GLY A 1 53 ? 88.430 -6.918 3.393 1.00 20.86 ? 53 GLY A C 1 ATOM 363 O O . GLY A 1 53 ? 87.789 -5.887 3.163 1.00 16.74 ? 53 GLY A O 1 ATOM 364 N N . GLU A 1 54 ? 87.928 -8.012 3.970 1.00 18.04 ? 54 GLU A N 1 ATOM 365 C CA . GLU A 1 54 ? 86.540 -8.060 4.421 1.00 14.66 ? 54 GLU A CA 1 ATOM 366 C C . GLU A 1 54 ? 86.446 -8.118 5.939 1.00 9.48 ? 54 GLU A C 1 ATOM 367 O O . GLU A 1 54 ? 86.940 -9.004 6.619 1.00 11.73 ? 54 GLU A O 1 ATOM 368 C CB . GLU A 1 54 ? 85.785 -9.237 3.796 1.00 18.12 ? 54 GLU A CB 1 ATOM 369 C CG . GLU A 1 54 ? 84.292 -9.219 4.098 1.00 20.80 ? 54 GLU A CG 1 ATOM 370 C CD . GLU A 1 54 ? 83.571 -10.433 3.578 1.00 23.03 ? 54 GLU A CD 1 ATOM 371 O OE1 . GLU A 1 54 ? 84.136 -11.552 3.558 1.00 33.52 ? 54 GLU A OE1 1 ATOM 372 O OE2 . GLU A 1 54 ? 82.408 -10.300 3.164 1.00 29.47 ? 54 GLU A OE2 1 ATOM 373 N N . THR A 1 55 ? 85.797 -7.103 6.490 1.00 10.41 ? 55 THR A N 1 ATOM 374 C CA . THR A 1 55 ? 85.513 -7.022 7.912 1.00 8.60 ? 55 THR A CA 1 ATOM 375 C C . THR A 1 55 ? 84.167 -7.698 8.158 1.00 10.31 ? 55 THR A C 1 ATOM 376 O O . THR A 1 55 ? 83.208 -7.425 7.431 1.00 11.84 ? 55 THR A O 1 ATOM 377 C CB . THR A 1 55 ? 85.450 -5.580 8.442 1.00 10.67 ? 55 THR A CB 1 ATOM 378 O OG1 . THR A 1 55 ? 86.646 -4.863 8.107 1.00 11.07 ? 55 THR A OG1 1 ATOM 379 C CG2 . THR A 1 55 ? 85.350 -5.558 9.955 1.00 15.38 ? 55 THR A CG2 1 ATOM 380 N N . THR A 1 56 ? 84.115 -8.582 9.142 1.00 13.47 ? 56 THR A N 1 ATOM 381 C CA . THR A 1 56 ? 82.896 -9.300 9.505 1.00 15.12 ? 56 THR A CA 1 ATOM 382 C C . THR A 1 56 ? 82.715 -9.282 11.017 1.00 15.13 ? 56 THR A C 1 ATOM 383 O O . THR A 1 56 ? 83.612 -8.922 11.781 1.00 12.84 ? 56 THR A O 1 ATOM 384 C CB . THR A 1 56 ? 82.926 -10.759 9.012 1.00 12.83 ? 56 THR A CB 1 ATOM 385 O OG1 . THR A 1 56 ? 84.071 -11.372 9.598 1.00 17.09 ? 56 THR A OG1 1 ATOM 386 C CG2 . THR A 1 56 ? 83.111 -10.834 7.503 1.00 10.80 ? 56 THR A CG2 1 ATOM 387 N N . PHE A 1 57 ? 81.490 -9.612 11.409 1.00 13.11 ? 57 PHE A N 1 ATOM 388 C CA . PHE A 1 57 ? 81.024 -9.542 12.776 1.00 12.09 ? 57 PHE A CA 1 ATOM 389 C C . PHE A 1 57 ? 80.292 -10.828 13.155 1.00 14.29 ? 57 PHE A C 1 ATOM 390 O O . PHE A 1 57 ? 79.501 -11.335 12.354 1.00 12.58 ? 57 PHE A O 1 ATOM 391 C CB . PHE A 1 57 ? 80.069 -8.350 12.963 1.00 11.08 ? 57 PHE A CB 1 ATOM 392 C CG . PHE A 1 57 ? 80.701 -7.074 12.428 1.00 8.62 ? 57 PHE A CG 1 ATOM 393 C CD1 . PHE A 1 57 ? 81.358 -6.208 13.278 1.00 12.66 ? 57 PHE A CD1 1 ATOM 394 C CD2 . PHE A 1 57 ? 80.639 -6.751 11.085 1.00 9.89 ? 57 PHE A CD2 1 ATOM 395 C CE1 . PHE A 1 57 ? 81.962 -5.054 12.819 1.00 15.62 ? 57 PHE A CE1 1 ATOM 396 C CE2 . PHE A 1 57 ? 81.248 -5.604 10.611 1.00 9.27 ? 57 PHE A CE2 1 ATOM 397 C CZ . PHE A 1 57 ? 81.911 -4.757 11.478 1.00 14.92 ? 57 PHE A CZ 1 ATOM 398 N N . GLY A 1 58 ? 80.558 -11.316 14.356 1.00 15.94 ? 58 GLY A N 1 ATOM 399 C CA . GLY A 1 58 ? 79.822 -12.459 14.881 1.00 15.80 ? 58 GLY A CA 1 ATOM 400 C C . GLY A 1 58 ? 78.391 -12.084 15.230 1.00 19.25 ? 58 GLY A C 1 ATOM 401 O O . GLY A 1 58 ? 78.079 -10.936 15.548 1.00 21.60 ? 58 GLY A O 1 ATOM 402 N N . TYR A 1 59 ? 77.484 -13.051 15.164 1.00 17.44 ? 59 TYR A N 1 ATOM 403 C CA . TYR A 1 59 ? 76.077 -12.818 15.426 1.00 18.23 ? 59 TYR A CA 1 ATOM 404 C C . TYR A 1 59 ? 75.763 -12.785 16.915 1.00 18.14 ? 59 TYR A C 1 ATOM 405 O O . TYR A 1 59 ? 76.163 -13.648 17.686 1.00 15.93 ? 59 TYR A O 1 ATOM 406 C CB . TYR A 1 59 ? 75.193 -13.905 14.763 1.00 22.12 ? 59 TYR A CB 1 ATOM 407 C CG . TYR A 1 59 ? 73.720 -13.681 15.041 1.00 23.71 ? 59 TYR A CG 1 ATOM 408 C CD1 . TYR A 1 59 ? 72.983 -12.745 14.337 1.00 19.55 ? 59 TYR A CD1 1 ATOM 409 C CD2 . TYR A 1 59 ? 73.063 -14.418 16.028 1.00 25.58 ? 59 TYR A CD2 1 ATOM 410 C CE1 . TYR A 1 59 ? 71.642 -12.541 14.598 1.00 21.86 ? 59 TYR A CE1 1 ATOM 411 C CE2 . TYR A 1 59 ? 71.726 -14.225 16.301 1.00 28.37 ? 59 TYR A CE2 1 ATOM 412 C CZ . TYR A 1 59 ? 71.019 -13.279 15.578 1.00 26.59 ? 59 TYR A CZ 1 ATOM 413 O OH . TYR A 1 59 ? 69.689 -13.100 15.863 1.00 22.84 ? 59 TYR A OH 1 ATOM 414 N N . LYS A 1 60 ? 74.992 -11.778 17.300 1.00 18.69 ? 60 LYS A N 1 ATOM 415 C CA . LYS A 1 60 ? 74.409 -11.671 18.628 1.00 19.09 ? 60 LYS A CA 1 ATOM 416 C C . LYS A 1 60 ? 73.217 -10.726 18.603 1.00 14.33 ? 60 LYS A C 1 ATOM 417 O O . LYS A 1 60 ? 73.213 -9.764 17.830 1.00 18.50 ? 60 LYS A O 1 ATOM 418 C CB . LYS A 1 60 ? 75.447 -11.172 19.626 1.00 23.77 ? 60 LYS A CB 1 ATOM 419 C CG . LYS A 1 60 ? 74.859 -11.006 21.035 1.00 28.90 ? 60 LYS A CG 1 ATOM 420 C CD . LYS A 1 60 ? 75.683 -11.818 21.986 1.00 34.89 ? 60 LYS A CD 1 ATOM 421 C CE . LYS A 1 60 ? 75.465 -11.629 23.470 1.00 33.89 ? 60 LYS A CE 1 ATOM 422 N NZ . LYS A 1 60 ? 76.002 -12.874 24.153 1.00 45.61 ? 60 LYS A NZ 1 ATOM 423 N N . GLU A 1 61 ? 72.225 -10.964 19.449 1.00 15.37 ? 61 GLU A N 1 ATOM 424 C CA . GLU A 1 61 ? 71.160 -9.954 19.539 1.00 18.76 ? 61 GLU A CA 1 ATOM 425 C C . GLU A 1 61 ? 71.542 -8.955 20.616 1.00 15.82 ? 61 GLU A C 1 ATOM 426 O O . GLU A 1 61 ? 71.467 -9.243 21.806 1.00 21.75 ? 61 GLU A O 1 ATOM 427 C CB . GLU A 1 61 ? 69.794 -10.603 19.768 1.00 20.34 ? 61 GLU A CB 1 ATOM 428 C CG . GLU A 1 61 ? 69.396 -11.437 18.548 1.00 27.57 ? 61 GLU A CG 1 ATOM 429 C CD . GLU A 1 61 ? 68.245 -12.400 18.811 1.00 38.97 ? 61 GLU A CD 1 ATOM 430 O OE1 . GLU A 1 61 ? 67.324 -12.027 19.570 1.00 35.92 ? 61 GLU A OE1 1 ATOM 431 O OE2 . GLU A 1 61 ? 68.267 -13.535 18.258 1.00 42.83 ? 61 GLU A OE2 1 ATOM 432 N N . TRP A 1 62 ? 71.983 -7.776 20.183 1.00 17.74 ? 62 TRP A N 1 ATOM 433 C CA . TRP A 1 62 ? 72.422 -6.719 21.083 1.00 13.43 ? 62 TRP A CA 1 ATOM 434 C C . TRP A 1 62 ? 72.354 -5.412 20.305 1.00 17.10 ? 62 TRP A C 1 ATOM 435 O O . TRP A 1 62 ? 72.036 -5.431 19.121 1.00 18.88 ? 62 TRP A O 1 ATOM 436 C CB . TRP A 1 62 ? 73.822 -6.934 21.635 1.00 17.85 ? 62 TRP A CB 1 ATOM 437 C CG . TRP A 1 62 ? 74.923 -6.768 20.632 1.00 19.06 ? 62 TRP A CG 1 ATOM 438 C CD1 . TRP A 1 62 ? 75.054 -7.390 19.425 1.00 19.24 ? 62 TRP A CD1 1 ATOM 439 C CD2 . TRP A 1 62 ? 76.063 -5.913 20.761 1.00 15.02 ? 62 TRP A CD2 1 ATOM 440 N NE1 . TRP A 1 62 ? 76.205 -6.975 18.800 1.00 15.53 ? 62 TRP A NE1 1 ATOM 441 C CE2 . TRP A 1 62 ? 76.845 -6.067 19.605 1.00 16.55 ? 62 TRP A CE2 1 ATOM 442 C CE3 . TRP A 1 62 ? 76.513 -5.032 21.757 1.00 19.64 ? 62 TRP A CE3 1 ATOM 443 C CZ2 . TRP A 1 62 ? 78.042 -5.369 19.398 1.00 19.08 ? 62 TRP A CZ2 1 ATOM 444 C CZ3 . TRP A 1 62 ? 77.695 -4.344 21.560 1.00 19.23 ? 62 TRP A CZ3 1 ATOM 445 C CH2 . TRP A 1 62 ? 78.446 -4.515 20.389 1.00 19.93 ? 62 TRP A CH2 1 ATOM 446 N N . SER A 1 63 ? 72.652 -4.308 20.970 1.00 15.69 ? 63 SER A N 1 ATOM 447 C CA . SER A 1 63 ? 72.271 -3.059 20.306 1.00 20.85 ? 63 SER A CA 1 ATOM 448 C C . SER A 1 63 ? 73.458 -2.354 19.692 1.00 18.11 ? 63 SER A C 1 ATOM 449 O O . SER A 1 63 ? 73.273 -1.283 19.120 1.00 16.45 ? 63 SER A O 1 ATOM 450 C CB . SER A 1 63 ? 71.507 -2.225 21.348 1.00 21.79 ? 63 SER A CB 1 ATOM 451 O OG . SER A 1 63 ? 72.470 -1.737 22.283 1.00 40.47 ? 63 SER A OG 1 ATOM 452 N N . GLY A 1 64 ? 74.663 -2.942 19.732 1.00 17.43 ? 64 GLY A N 1 ATOM 453 C CA . GLY A 1 64 ? 75.777 -2.264 19.061 1.00 16.41 ? 64 GLY A CA 1 ATOM 454 C C . GLY A 1 64 ? 76.421 -1.208 19.924 1.00 15.07 ? 64 GLY A C 1 ATOM 455 O O . GLY A 1 64 ? 76.205 -1.141 21.137 1.00 18.24 ? 64 GLY A O 1 ATOM 456 N N . PRO A 1 65 ? 77.259 -0.344 19.369 1.00 15.04 ? 65 PRO A N 1 ATOM 457 C CA . PRO A 1 65 ? 77.581 -0.352 17.952 1.00 15.88 ? 65 PRO A CA 1 ATOM 458 C C . PRO A 1 65 ? 78.605 -1.423 17.586 1.00 13.85 ? 65 PRO A C 1 ATOM 459 O O . PRO A 1 65 ? 79.371 -1.861 18.446 1.00 16.69 ? 65 PRO A O 1 ATOM 460 C CB . PRO A 1 65 ? 78.238 1.015 17.745 1.00 13.09 ? 65 PRO A CB 1 ATOM 461 C CG . PRO A 1 65 ? 78.860 1.337 19.055 1.00 18.95 ? 65 PRO A CG 1 ATOM 462 C CD . PRO A 1 65 ? 77.985 0.717 20.103 1.00 19.32 ? 65 PRO A CD 1 ATOM 463 N N . LEU A 1 66 ? 78.590 -1.795 16.326 1.00 11.59 ? 66 LEU A N 1 ATOM 464 C CA . LEU A 1 66 ? 79.535 -2.754 15.756 1.00 10.66 ? 66 LEU A CA 1 ATOM 465 C C . LEU A 1 66 ? 80.928 -2.134 15.658 1.00 12.43 ? 66 LEU A C 1 ATOM 466 O O . LEU A 1 66 ? 81.951 -2.774 15.896 1.00 10.75 ? 66 LEU A O 1 ATOM 467 C CB . LEU A 1 66 ? 79.047 -3.233 14.400 1.00 15.75 ? 66 LEU A CB 1 ATOM 468 C CG . LEU A 1 66 ? 78.368 -4.582 14.164 1.00 19.53 ? 66 LEU A CG 1 ATOM 469 C CD1 . LEU A 1 66 ? 77.908 -5.325 15.409 1.00 20.24 ? 66 LEU A CD1 1 ATOM 470 C CD2 . LEU A 1 66 ? 77.184 -4.433 13.217 1.00 17.18 ? 66 LEU A CD2 1 ATOM 471 N N . ILE A 1 67 ? 80.982 -0.862 15.288 1.00 10.82 ? 67 ILE A N 1 ATOM 472 C CA . ILE A 1 67 ? 82.229 -0.122 15.178 1.00 10.98 ? 67 ILE A CA 1 ATOM 473 C C . ILE A 1 67 ? 82.103 1.219 15.880 1.00 14.27 ? 67 ILE A C 1 ATOM 474 O O . ILE A 1 67 ? 81.057 1.872 15.720 1.00 11.62 ? 67 ILE A O 1 ATOM 475 C CB . ILE A 1 67 ? 82.599 0.141 13.700 1.00 12.86 ? 67 ILE A CB 1 ATOM 476 C CG1 . ILE A 1 67 ? 82.781 -1.141 12.900 1.00 14.67 ? 67 ILE A CG1 1 ATOM 477 C CG2 . ILE A 1 67 ? 83.821 1.046 13.637 1.00 15.50 ? 67 ILE A CG2 1 ATOM 478 C CD1 . ILE A 1 67 ? 82.952 -1.018 11.415 1.00 15.35 ? 67 ILE A CD1 1 ATOM 479 N N . SER A 1 68 ? 83.133 1.625 16.607 1.00 7.40 ? 68 SER A N 1 ATOM 480 C CA . SER A 1 68 ? 83.040 2.915 17.278 1.00 10.95 ? 68 SER A CA 1 ATOM 481 C C . SER A 1 68 ? 84.343 3.681 17.136 1.00 15.74 ? 68 SER A C 1 ATOM 482 O O . SER A 1 68 ? 85.400 3.091 17.376 1.00 16.01 ? 68 SER A O 1 ATOM 483 C CB . SER A 1 68 ? 82.700 2.720 18.758 1.00 11.81 ? 68 SER A CB 1 ATOM 484 O OG . SER A 1 68 ? 82.520 4.009 19.323 1.00 21.15 ? 68 SER A OG 1 ATOM 485 N N . VAL A 1 69 ? 84.272 4.941 16.730 1.00 16.04 ? 69 VAL A N 1 ATOM 486 C CA . VAL A 1 69 ? 85.454 5.767 16.546 1.00 17.47 ? 69 VAL A CA 1 ATOM 487 C C . VAL A 1 69 ? 85.252 7.150 17.158 1.00 13.67 ? 69 VAL A C 1 ATOM 488 O O . VAL A 1 69 ? 84.149 7.673 17.051 1.00 15.90 ? 69 VAL A O 1 ATOM 489 C CB . VAL A 1 69 ? 85.811 5.970 15.059 1.00 19.81 ? 69 VAL A CB 1 ATOM 490 C CG1 . VAL A 1 69 ? 87.203 6.595 14.948 1.00 27.54 ? 69 VAL A CG1 1 ATOM 491 C CG2 . VAL A 1 69 ? 85.774 4.655 14.307 1.00 23.75 ? 69 VAL A CG2 1 ATOM 492 N N . SER A 1 70 ? 86.310 7.691 17.743 1.00 17.63 ? 70 SER A N 1 ATOM 493 C CA . SER A 1 70 ? 86.335 9.024 18.329 1.00 16.69 ? 70 SER A CA 1 ATOM 494 C C . SER A 1 70 ? 87.765 9.570 18.402 1.00 13.59 ? 70 SER A C 1 ATOM 495 O O . SER A 1 70 ? 88.704 8.775 18.475 1.00 14.67 ? 70 SER A O 1 ATOM 496 C CB . SER A 1 70 ? 85.721 9.003 19.726 1.00 17.14 ? 70 SER A CB 1 ATOM 497 O OG . SER A 1 70 ? 86.658 8.525 20.684 1.00 19.04 ? 70 SER A OG 1 ATOM 498 N N . GLY A 1 71 ? 87.926 10.877 18.395 1.00 14.65 ? 71 GLY A N 1 ATOM 499 C CA . GLY A 1 71 ? 89.211 11.553 18.443 1.00 14.71 ? 71 GLY A CA 1 ATOM 500 C C . GLY A 1 71 ? 89.307 12.715 17.472 1.00 16.03 ? 71 GLY A C 1 ATOM 501 O O . GLY A 1 71 ? 88.290 13.121 16.896 1.00 15.83 ? 71 GLY A O 1 ATOM 502 N N . SER A 1 72 ? 90.500 13.274 17.264 1.00 17.10 ? 72 SER A N 1 ATOM 503 C CA . SER A 1 72 ? 90.675 14.462 16.451 1.00 16.04 ? 72 SER A CA 1 ATOM 504 C C . SER A 1 72 ? 91.687 14.241 15.337 1.00 15.13 ? 72 SER A C 1 ATOM 505 O O . SER A 1 72 ? 92.615 13.453 15.488 1.00 15.62 ? 72 SER A O 1 ATOM 506 C CB . SER A 1 72 ? 91.172 15.682 17.254 1.00 19.05 ? 72 SER A CB 1 ATOM 507 O OG . SER A 1 72 ? 90.363 15.846 18.401 1.00 28.69 ? 72 SER A OG 1 ATOM 508 N N . ASP A 1 73 ? 91.482 14.962 14.249 1.00 13.31 ? 73 ASP A N 1 ATOM 509 C CA . ASP A 1 73 ? 92.405 14.934 13.112 1.00 20.25 ? 73 ASP A CA 1 ATOM 510 C C . ASP A 1 73 ? 92.688 13.518 12.634 1.00 17.60 ? 73 ASP A C 1 ATOM 511 O O . ASP A 1 73 ? 93.778 13.172 12.184 1.00 17.48 ? 73 ASP A O 1 ATOM 512 C CB . ASP A 1 73 ? 93.716 15.649 13.485 1.00 21.46 ? 73 ASP A CB 1 ATOM 513 C CG . ASP A 1 73 ? 93.430 17.108 13.812 1.00 32.99 ? 73 ASP A CG 1 ATOM 514 O OD1 . ASP A 1 73 ? 93.536 17.500 14.994 1.00 38.50 ? 73 ASP A OD1 1 ATOM 515 O OD2 . ASP A 1 73 ? 93.079 17.884 12.891 1.00 40.81 ? 73 ASP A OD2 1 ATOM 516 N N . LEU A 1 74 ? 91.693 12.664 12.693 1.00 15.67 ? 74 LEU A N 1 ATOM 517 C CA . LEU A 1 74 ? 91.653 11.330 12.144 1.00 12.19 ? 74 LEU A CA 1 ATOM 518 C C . LEU A 1 74 ? 91.285 11.278 10.661 1.00 13.41 ? 74 LEU A C 1 ATOM 519 O O . LEU A 1 74 ? 90.454 12.042 10.175 1.00 12.96 ? 74 LEU A O 1 ATOM 520 C CB . LEU A 1 74 ? 90.603 10.476 12.868 1.00 15.33 ? 74 LEU A CB 1 ATOM 521 C CG . LEU A 1 74 ? 90.670 10.503 14.398 1.00 16.09 ? 74 LEU A CG 1 ATOM 522 C CD1 . LEU A 1 74 ? 89.652 9.523 14.959 1.00 20.32 ? 74 LEU A CD1 1 ATOM 523 C CD2 . LEU A 1 74 ? 92.065 10.186 14.907 1.00 17.66 ? 74 LEU A CD2 1 ATOM 524 N N . THR A 1 75 ? 91.922 10.339 9.984 1.00 13.47 ? 75 THR A N 1 ATOM 525 C CA . THR A 1 75 ? 91.633 9.901 8.630 1.00 17.91 ? 75 THR A CA 1 ATOM 526 C C . THR A 1 75 ? 91.247 8.423 8.713 1.00 20.98 ? 75 THR A C 1 ATOM 527 O O . THR A 1 75 ? 92.027 7.590 9.189 1.00 20.02 ? 75 THR A O 1 ATOM 528 C CB . THR A 1 75 ? 92.817 10.059 7.655 1.00 16.43 ? 75 THR A CB 1 ATOM 529 O OG1 . THR A 1 75 ? 93.253 11.414 7.681 1.00 17.00 ? 75 THR A OG1 1 ATOM 530 C CG2 . THR A 1 75 ? 92.430 9.797 6.206 1.00 19.76 ? 75 THR A CG2 1 ATOM 531 N N . ILE A 1 76 ? 90.032 8.103 8.265 1.00 16.90 ? 76 ILE A N 1 ATOM 532 C CA . ILE A 1 76 ? 89.740 6.671 8.154 1.00 16.96 ? 76 ILE A CA 1 ATOM 533 C C . ILE A 1 76 ? 89.249 6.385 6.743 1.00 20.52 ? 76 ILE A C 1 ATOM 534 O O . ILE A 1 76 ? 88.374 7.032 6.159 1.00 15.10 ? 76 ILE A O 1 ATOM 535 C CB . ILE A 1 76 ? 88.815 6.124 9.276 1.00 22.78 ? 76 ILE A CB 1 ATOM 536 C CG1 . ILE A 1 76 ? 87.563 5.446 8.724 1.00 28.44 ? 76 ILE A CG1 1 ATOM 537 C CG2 . ILE A 1 76 ? 88.469 7.135 10.356 1.00 22.40 ? 76 ILE A CG2 1 ATOM 538 C CD1 . ILE A 1 76 ? 86.869 4.682 9.833 1.00 34.27 ? 76 ILE A CD1 1 ATOM 539 N N . THR A 1 77 ? 89.916 5.395 6.138 1.00 15.41 ? 77 THR A N 1 ATOM 540 C CA . THR A 1 77 ? 89.668 5.133 4.723 1.00 15.50 ? 77 THR A CA 1 ATOM 541 C C . THR A 1 77 ? 89.600 3.626 4.483 1.00 18.44 ? 77 THR A C 1 ATOM 542 O O . THR A 1 77 ? 89.927 2.818 5.353 1.00 14.72 ? 77 THR A O 1 ATOM 543 C CB . THR A 1 77 ? 90.750 5.740 3.825 1.00 16.64 ? 77 THR A CB 1 ATOM 544 O OG1 . THR A 1 77 ? 92.013 5.137 4.130 1.00 24.56 ? 77 THR A OG1 1 ATOM 545 C CG2 . THR A 1 77 ? 91.033 7.199 4.133 1.00 28.97 ? 77 THR A CG2 1 ATOM 546 N N . GLY A 1 78 ? 89.143 3.289 3.281 1.00 18.05 ? 78 GLY A N 1 ATOM 547 C CA . GLY A 1 78 ? 89.058 1.933 2.810 1.00 15.15 ? 78 GLY A CA 1 ATOM 548 C C . GLY A 1 78 ? 90.049 1.713 1.681 1.00 20.04 ? 78 GLY A C 1 ATOM 549 O O . GLY A 1 78 ? 90.178 2.539 0.775 1.00 22.96 ? 78 GLY A O 1 ATOM 550 N N . ALA A 1 79 ? 90.747 0.597 1.773 1.00 19.43 ? 79 ALA A N 1 ATOM 551 C CA . ALA A 1 79 ? 91.637 0.155 0.716 1.00 22.71 ? 79 ALA A CA 1 ATOM 552 C C . ALA A 1 79 ? 90.806 -0.417 -0.430 1.00 21.74 ? 79 ALA A C 1 ATOM 553 O O . ALA A 1 79 ? 89.661 -0.847 -0.338 1.00 16.58 ? 79 ALA A O 1 ATOM 554 C CB . ALA A 1 79 ? 92.613 -0.870 1.261 1.00 19.61 ? 79 ALA A CB 1 ATOM 555 N N . SER A 1 80 ? 91.417 -0.423 -1.606 1.00 24.70 ? 80 SER A N 1 ATOM 556 C CA . SER A 1 80 ? 90.789 -0.987 -2.782 1.00 22.69 ? 80 SER A CA 1 ATOM 557 C C . SER A 1 80 ? 90.353 -2.431 -2.541 1.00 20.46 ? 80 SER A C 1 ATOM 558 O O . SER A 1 80 ? 91.104 -3.241 -1.992 1.00 19.76 ? 80 SER A O 1 ATOM 559 C CB . SER A 1 80 ? 91.743 -0.909 -3.979 1.00 26.47 ? 80 SER A CB 1 ATOM 560 O OG . SER A 1 80 ? 91.302 -1.832 -4.975 1.00 44.52 ? 80 SER A OG 1 ATOM 561 N N . GLY A 1 81 ? 89.130 -2.745 -2.947 1.00 18.22 ? 81 GLY A N 1 ATOM 562 C CA . GLY A 1 81 ? 88.556 -4.059 -2.827 1.00 19.79 ? 81 GLY A CA 1 ATOM 563 C C . GLY A 1 81 ? 88.062 -4.412 -1.446 1.00 16.80 ? 81 GLY A C 1 ATOM 564 O O . GLY A 1 81 ? 87.615 -5.530 -1.168 1.00 15.76 ? 81 GLY A O 1 ATOM 565 N N . HIS A 1 82 ? 88.144 -3.466 -0.509 1.00 13.88 ? 82 HIS A N 1 ATOM 566 C CA . HIS A 1 82 ? 87.712 -3.829 0.842 1.00 10.16 ? 82 HIS A CA 1 ATOM 567 C C . HIS A 1 82 ? 86.202 -3.824 0.953 1.00 13.08 ? 82 HIS A C 1 ATOM 568 O O . HIS A 1 82 ? 85.484 -3.181 0.178 1.00 15.94 ? 82 HIS A O 1 ATOM 569 C CB . HIS A 1 82 ? 88.264 -2.806 1.838 1.00 12.95 ? 82 HIS A CB 1 ATOM 570 C CG . HIS A 1 82 ? 87.422 -1.561 1.865 1.00 11.64 ? 82 HIS A CG 1 ATOM 571 N ND1 . HIS A 1 82 ? 86.587 -1.315 2.936 1.00 15.55 ? 82 HIS A ND1 1 ATOM 572 C CD2 . HIS A 1 82 ? 87.248 -0.528 1.021 1.00 13.05 ? 82 HIS A CD2 1 ATOM 573 C CE1 . HIS A 1 82 ? 85.960 -0.178 2.754 1.00 15.47 ? 82 HIS A CE1 1 ATOM 574 N NE2 . HIS A 1 82 ? 86.318 0.324 1.587 1.00 17.50 ? 82 HIS A NE2 1 ATOM 575 N N . SER A 1 83 ? 85.665 -4.491 1.959 1.00 14.16 ? 83 SER A N 1 ATOM 576 C CA . SER A 1 83 ? 84.273 -4.194 2.273 1.00 18.42 ? 83 SER A CA 1 ATOM 577 C C . SER A 1 83 ? 84.080 -4.428 3.766 1.00 17.52 ? 83 SER A C 1 ATOM 578 O O . SER A 1 83 ? 84.816 -5.196 4.381 1.00 16.87 ? 83 SER A O 1 ATOM 579 C CB . SER A 1 83 ? 83.301 -5.047 1.460 1.00 18.36 ? 83 SER A CB 1 ATOM 580 O OG . SER A 1 83 ? 83.599 -6.393 1.795 1.00 23.67 ? 83 SER A OG 1 ATOM 581 N N . ILE A 1 84 ? 83.083 -3.731 4.293 1.00 17.02 ? 84 ILE A N 1 ATOM 582 C CA . ILE A 1 84 ? 82.660 -3.958 5.673 1.00 12.90 ? 84 ILE A CA 1 ATOM 583 C C . ILE A 1 84 ? 81.271 -4.580 5.610 1.00 18.49 ? 84 ILE A C 1 ATOM 584 O O . ILE A 1 84 ? 80.277 -3.930 5.291 1.00 17.30 ? 84 ILE A O 1 ATOM 585 C CB . ILE A 1 84 ? 82.728 -2.648 6.462 1.00 16.49 ? 84 ILE A CB 1 ATOM 586 C CG1 . ILE A 1 84 ? 84.145 -2.062 6.409 1.00 16.99 ? 84 ILE A CG1 1 ATOM 587 C CG2 . ILE A 1 84 ? 82.250 -2.834 7.885 1.00 14.24 ? 84 ILE A CG2 1 ATOM 588 C CD1 . ILE A 1 84 ? 84.194 -0.557 6.531 1.00 16.22 ? 84 ILE A CD1 1 ATOM 589 N N . ASN A 1 85 ? 81.256 -5.873 5.918 1.00 17.69 ? 85 ASN A N 1 ATOM 590 C CA . ASN A 1 85 ? 80.076 -6.693 5.683 1.00 18.48 ? 85 ASN A CA 1 ATOM 591 C C . ASN A 1 85 ? 79.340 -7.038 6.961 1.00 15.25 ? 85 ASN A C 1 ATOM 592 O O . ASN A 1 85 ? 79.797 -7.848 7.766 1.00 10.05 ? 85 ASN A O 1 ATOM 593 C CB . ASN A 1 85 ? 80.548 -7.949 4.941 1.00 17.64 ? 85 ASN A CB 1 ATOM 594 C CG . ASN A 1 85 ? 79.389 -8.851 4.562 1.00 17.43 ? 85 ASN A CG 1 ATOM 595 O OD1 . ASN A 1 85 ? 78.217 -8.484 4.656 1.00 17.25 ? 85 ASN A OD1 1 ATOM 596 N ND2 . ASN A 1 85 ? 79.763 -10.056 4.167 1.00 22.52 ? 85 ASN A ND2 1 ATOM 597 N N . GLY A 1 86 ? 78.180 -6.409 7.166 1.00 14.33 ? 86 GLY A N 1 ATOM 598 C CA . GLY A 1 86 ? 77.387 -6.639 8.353 1.00 11.19 ? 86 GLY A CA 1 ATOM 599 C C . GLY A 1 86 ? 76.563 -7.919 8.287 1.00 16.34 ? 86 GLY A C 1 ATOM 600 O O . GLY A 1 86 ? 76.098 -8.378 9.334 1.00 16.83 ? 86 GLY A O 1 ATOM 601 N N . ASP A 1 87 ? 76.367 -8.484 7.101 1.00 16.91 ? 87 ASP A N 1 ATOM 602 C CA . ASP A 1 87 ? 75.566 -9.692 6.878 1.00 14.80 ? 87 ASP A CA 1 ATOM 603 C C . ASP A 1 87 ? 74.271 -9.640 7.672 1.00 14.04 ? 87 ASP A C 1 ATOM 604 O O . ASP A 1 87 ? 73.907 -10.493 8.479 1.00 15.08 ? 87 ASP A O 1 ATOM 605 C CB . ASP A 1 87 ? 76.402 -10.926 7.220 1.00 19.23 ? 87 ASP A CB 1 ATOM 606 C CG . ASP A 1 87 ? 75.788 -12.211 6.713 1.00 24.31 ? 87 ASP A CG 1 ATOM 607 O OD1 . ASP A 1 87 ? 76.167 -13.274 7.256 1.00 24.86 ? 87 ASP A OD1 1 ATOM 608 O OD2 . ASP A 1 87 ? 74.933 -12.178 5.804 1.00 27.82 ? 87 ASP A OD2 1 ATOM 609 N N . GLY A 1 88 ? 73.546 -8.556 7.470 1.00 12.04 ? 88 GLY A N 1 ATOM 610 C CA . GLY A 1 88 ? 72.395 -8.174 8.246 1.00 15.58 ? 88 GLY A CA 1 ATOM 611 C C . GLY A 1 88 ? 71.213 -9.122 8.132 1.00 10.86 ? 88 GLY A C 1 ATOM 612 O O . GLY A 1 88 ? 70.364 -9.115 9.022 1.00 15.35 ? 88 GLY A O 1 ATOM 613 N N . SER A 1 89 ? 71.146 -9.917 7.083 1.00 12.09 ? 89 SER A N 1 ATOM 614 C CA . SER A 1 89 ? 70.031 -10.839 6.917 1.00 14.19 ? 89 SER A CA 1 ATOM 615 C C . SER A 1 89 ? 69.919 -11.782 8.098 1.00 18.37 ? 89 SER A C 1 ATOM 616 O O . SER A 1 89 ? 68.840 -12.333 8.331 1.00 19.42 ? 89 SER A O 1 ATOM 617 C CB . SER A 1 89 ? 70.168 -11.625 5.602 1.00 14.16 ? 89 SER A CB 1 ATOM 618 O OG . SER A 1 89 ? 71.255 -12.521 5.709 1.00 19.67 ? 89 SER A OG 1 ATOM 619 N N . ARG A 1 90 ? 70.997 -11.943 8.863 1.00 21.75 ? 90 ARG A N 1 ATOM 620 C CA . ARG A 1 90 ? 70.918 -12.743 10.096 1.00 16.48 ? 90 ARG A CA 1 ATOM 621 C C . ARG A 1 90 ? 69.949 -12.142 11.101 1.00 20.78 ? 90 ARG A C 1 ATOM 622 O O . ARG A 1 90 ? 69.334 -12.918 11.845 1.00 16.46 ? 90 ARG A O 1 ATOM 623 C CB . ARG A 1 90 ? 72.301 -12.900 10.735 1.00 9.70 ? 90 ARG A CB 1 ATOM 624 C CG . ARG A 1 90 ? 73.257 -13.668 9.819 1.00 12.92 ? 90 ARG A CG 1 ATOM 625 C CD . ARG A 1 90 ? 74.638 -13.681 10.454 1.00 16.78 ? 90 ARG A CD 1 ATOM 626 N NE . ARG A 1 90 ? 75.248 -12.343 10.428 1.00 18.73 ? 90 ARG A NE 1 ATOM 627 C CZ . ARG A 1 90 ? 76.409 -12.097 11.034 1.00 16.78 ? 90 ARG A CZ 1 ATOM 628 N NH1 . ARG A 1 90 ? 77.035 -13.078 11.682 1.00 13.38 ? 90 ARG A NH1 1 ATOM 629 N NH2 . ARG A 1 90 ? 76.952 -10.892 11.003 1.00 20.98 ? 90 ARG A NH2 1 ATOM 630 N N . TRP A 1 91 ? 69.776 -10.826 11.113 1.00 12.88 ? 91 TRP A N 1 ATOM 631 C CA . TRP A 1 91 ? 68.848 -10.195 12.035 1.00 12.88 ? 91 TRP A CA 1 ATOM 632 C C . TRP A 1 91 ? 67.537 -9.758 11.374 1.00 16.53 ? 91 TRP A C 1 ATOM 633 O O . TRP A 1 91 ? 66.544 -9.607 12.096 1.00 19.88 ? 91 TRP A O 1 ATOM 634 C CB . TRP A 1 91 ? 69.482 -8.958 12.646 1.00 18.49 ? 91 TRP A CB 1 ATOM 635 C CG . TRP A 1 91 ? 70.646 -9.056 13.566 1.00 17.85 ? 91 TRP A CG 1 ATOM 636 C CD1 . TRP A 1 91 ? 70.578 -9.070 14.929 1.00 18.27 ? 91 TRP A CD1 1 ATOM 637 C CD2 . TRP A 1 91 ? 72.043 -9.149 13.243 1.00 18.51 ? 91 TRP A CD2 1 ATOM 638 N NE1 . TRP A 1 91 ? 71.841 -9.171 15.468 1.00 18.42 ? 91 TRP A NE1 1 ATOM 639 C CE2 . TRP A 1 91 ? 72.760 -9.224 14.458 1.00 16.24 ? 91 TRP A CE2 1 ATOM 640 C CE3 . TRP A 1 91 ? 72.773 -9.178 12.053 1.00 18.50 ? 91 TRP A CE3 1 ATOM 641 C CZ2 . TRP A 1 91 ? 74.149 -9.320 14.514 1.00 14.80 ? 91 TRP A CZ2 1 ATOM 642 C CZ3 . TRP A 1 91 ? 74.149 -9.270 12.105 1.00 16.97 ? 91 TRP A CZ3 1 ATOM 643 C CH2 . TRP A 1 91 ? 74.827 -9.340 13.333 1.00 13.87 ? 91 TRP A CH2 1 ATOM 644 N N . TRP A 1 92 ? 67.534 -9.517 10.067 1.00 15.48 ? 92 TRP A N 1 ATOM 645 C CA . TRP A 1 92 ? 66.398 -8.887 9.414 1.00 16.35 ? 92 TRP A CA 1 ATOM 646 C C . TRP A 1 92 ? 65.136 -9.730 9.607 1.00 16.52 ? 92 TRP A C 1 ATOM 647 O O . TRP A 1 92 ? 65.137 -10.902 9.260 1.00 14.13 ? 92 TRP A O 1 ATOM 648 C CB . TRP A 1 92 ? 66.610 -8.660 7.920 1.00 15.90 ? 92 TRP A CB 1 ATOM 649 C CG . TRP A 1 92 ? 67.665 -7.659 7.573 1.00 11.72 ? 92 TRP A CG 1 ATOM 650 C CD1 . TRP A 1 92 ? 68.125 -6.618 8.320 1.00 12.63 ? 92 TRP A CD1 1 ATOM 651 C CD2 . TRP A 1 92 ? 68.399 -7.625 6.343 1.00 14.17 ? 92 TRP A CD2 1 ATOM 652 N NE1 . TRP A 1 92 ? 69.102 -5.927 7.635 1.00 12.46 ? 92 TRP A NE1 1 ATOM 653 C CE2 . TRP A 1 92 ? 69.290 -6.533 6.422 1.00 14.51 ? 92 TRP A CE2 1 ATOM 654 C CE3 . TRP A 1 92 ? 68.386 -8.423 5.196 1.00 14.63 ? 92 TRP A CE3 1 ATOM 655 C CZ2 . TRP A 1 92 ? 70.158 -6.226 5.383 1.00 18.34 ? 92 TRP A CZ2 1 ATOM 656 C CZ3 . TRP A 1 92 ? 69.249 -8.115 4.170 1.00 12.14 ? 92 TRP A CZ3 1 ATOM 657 C CH2 . TRP A 1 92 ? 70.121 -7.022 4.273 1.00 23.00 ? 92 TRP A CH2 1 ATOM 658 N N . ASP A 1 93 ? 64.107 -9.103 10.158 1.00 19.66 ? 93 ASP A N 1 ATOM 659 C CA . ASP A 1 93 ? 62.889 -9.848 10.495 1.00 27.52 ? 93 ASP A CA 1 ATOM 660 C C . ASP A 1 93 ? 61.626 -9.039 10.211 1.00 31.60 ? 93 ASP A C 1 ATOM 661 O O . ASP A 1 93 ? 60.544 -9.330 10.729 1.00 24.33 ? 93 ASP A O 1 ATOM 662 C CB . ASP A 1 93 ? 62.963 -10.295 11.961 1.00 21.07 ? 93 ASP A CB 1 ATOM 663 C CG . ASP A 1 93 ? 63.143 -9.191 12.976 1.00 22.53 ? 93 ASP A CG 1 ATOM 664 O OD1 . ASP A 1 93 ? 63.043 -7.993 12.625 1.00 23.04 ? 93 ASP A OD1 1 ATOM 665 O OD2 . ASP A 1 93 ? 63.379 -9.505 14.167 1.00 19.72 ? 93 ASP A OD2 1 ATOM 666 N N . GLY A 1 94 ? 61.756 -7.993 9.387 1.00 29.02 ? 94 GLY A N 1 ATOM 667 C CA . GLY A 1 94 ? 60.669 -7.080 9.085 1.00 24.48 ? 94 GLY A CA 1 ATOM 668 C C . GLY A 1 94 ? 60.435 -6.016 10.128 1.00 22.29 ? 94 GLY A C 1 ATOM 669 O O . GLY A 1 94 ? 59.615 -5.122 9.926 1.00 26.62 ? 94 GLY A O 1 ATOM 670 N N . GLU A 1 95 ? 61.104 -6.037 11.277 1.00 25.00 ? 95 GLU A N 1 ATOM 671 C CA . GLU A 1 95 ? 60.746 -5.115 12.346 1.00 24.55 ? 95 GLU A CA 1 ATOM 672 C C . GLU A 1 95 ? 61.788 -4.043 12.629 1.00 24.15 ? 95 GLU A C 1 ATOM 673 O O . GLU A 1 95 ? 61.490 -3.119 13.390 1.00 18.54 ? 95 GLU A O 1 ATOM 674 C CB . GLU A 1 95 ? 60.491 -5.907 13.636 1.00 29.76 ? 95 GLU A CB 1 ATOM 675 C CG . GLU A 1 95 ? 59.370 -6.924 13.553 1.00 31.01 ? 95 GLU A CG 1 ATOM 676 C CD . GLU A 1 95 ? 58.032 -6.268 13.230 1.00 36.90 ? 95 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 95 ? 57.404 -6.584 12.231 1.00 42.26 ? 95 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 95 ? 57.604 -5.353 14.077 1.00 46.10 ? 95 GLU A OE2 1 ATOM 679 N N . GLY A 1 96 ? 62.975 -4.143 12.050 1.00 22.83 ? 96 GLY A N 1 ATOM 680 C CA . GLY A 1 96 ? 64.018 -3.137 12.212 1.00 24.06 ? 96 GLY A CA 1 ATOM 681 C C . GLY A 1 96 ? 64.245 -2.766 13.662 1.00 21.99 ? 96 GLY A C 1 ATOM 682 O O . GLY A 1 96 ? 64.381 -3.669 14.483 1.00 25.28 ? 96 GLY A O 1 ATOM 683 N N . GLY A 1 97 ? 64.266 -1.481 14.012 1.00 18.84 ? 97 GLY A N 1 ATOM 684 C CA . GLY A 1 97 ? 64.471 -1.134 15.411 1.00 28.00 ? 97 GLY A CA 1 ATOM 685 C C . GLY A 1 97 ? 63.196 -1.098 16.224 1.00 29.67 ? 97 GLY A C 1 ATOM 686 O O . GLY A 1 97 ? 63.193 -0.652 17.374 1.00 39.38 ? 97 GLY A O 1 ATOM 687 N N . ASN A 1 98 ? 62.063 -1.566 15.698 1.00 33.87 ? 98 ASN A N 1 ATOM 688 C CA . ASN A 1 98 ? 60.814 -1.385 16.447 1.00 42.63 ? 98 ASN A CA 1 ATOM 689 C C . ASN A 1 98 ? 60.481 -2.593 17.311 1.00 38.58 ? 98 ASN A C 1 ATOM 690 O O . ASN A 1 98 ? 59.814 -2.419 18.331 1.00 45.06 ? 98 ASN A O 1 ATOM 691 C CB . ASN A 1 98 ? 59.633 -1.094 15.508 1.00 39.12 ? 98 ASN A CB 1 ATOM 692 C CG . ASN A 1 98 ? 59.779 0.253 14.824 1.00 46.61 ? 98 ASN A CG 1 ATOM 693 O OD1 . ASN A 1 98 ? 60.454 1.154 15.324 1.00 40.26 ? 98 ASN A OD1 1 ATOM 694 N ND2 . ASN A 1 98 ? 59.112 0.392 13.678 1.00 66.73 ? 98 ASN A ND2 1 ATOM 695 N N . GLY A 1 99 ? 60.942 -3.768 16.895 1.00 33.24 ? 99 GLY A N 1 ATOM 696 C CA . GLY A 1 99 ? 60.637 -5.013 17.596 1.00 33.91 ? 99 GLY A CA 1 ATOM 697 C C . GLY A 1 99 ? 61.397 -6.187 17.014 1.00 35.95 ? 99 GLY A C 1 ATOM 698 O O . GLY A 1 99 ? 62.452 -5.986 16.388 1.00 33.37 ? 99 GLY A O 1 ATOM 699 N N . GLY A 1 100 ? 60.892 -7.410 17.190 1.00 27.83 ? 100 GLY A N 1 ATOM 700 C CA . GLY A 1 100 ? 61.659 -8.559 16.706 1.00 23.14 ? 100 GLY A CA 1 ATOM 701 C C . GLY A 1 100 ? 62.978 -8.665 17.448 1.00 21.40 ? 100 GLY A C 1 ATOM 702 O O . GLY A 1 100 ? 63.088 -8.311 18.623 1.00 22.85 ? 100 GLY A O 1 ATOM 703 N N . LYS A 1 101 ? 64.018 -9.152 16.779 1.00 24.15 ? 101 LYS A N 1 ATOM 704 C CA . LYS A 1 101 ? 65.327 -9.272 17.403 1.00 24.16 ? 101 LYS A CA 1 ATOM 705 C C . LYS A 1 101 ? 65.926 -7.923 17.783 1.00 24.03 ? 101 LYS A C 1 ATOM 706 O O . LYS A 1 101 ? 65.643 -6.921 17.123 1.00 21.21 ? 101 LYS A O 1 ATOM 707 C CB . LYS A 1 101 ? 66.303 -9.956 16.441 1.00 22.64 ? 101 LYS A CB 1 ATOM 708 C CG . LYS A 1 101 ? 65.977 -11.400 16.139 1.00 26.61 ? 101 LYS A CG 1 ATOM 709 C CD . LYS A 1 101 ? 66.710 -11.877 14.897 1.00 26.55 ? 101 LYS A CD 1 ATOM 710 C CE . LYS A 1 101 ? 66.472 -13.350 14.657 1.00 25.84 ? 101 LYS A CE 1 ATOM 711 N NZ . LYS A 1 101 ? 67.194 -13.888 13.478 1.00 33.81 ? 101 LYS A NZ 1 ATOM 712 N N . THR A 1 102 ? 66.757 -7.902 18.824 1.00 23.98 ? 102 THR A N 1 ATOM 713 C CA . THR A 1 102 ? 67.579 -6.723 19.083 1.00 22.30 ? 102 THR A CA 1 ATOM 714 C C . THR A 1 102 ? 68.704 -6.736 18.051 1.00 18.09 ? 102 THR A C 1 ATOM 715 O O . THR A 1 102 ? 69.398 -7.725 17.868 1.00 18.25 ? 102 THR A O 1 ATOM 716 C CB . THR A 1 102 ? 68.112 -6.692 20.515 1.00 28.87 ? 102 THR A CB 1 ATOM 717 O OG1 . THR A 1 102 ? 66.985 -6.819 21.413 1.00 34.74 ? 102 THR A OG1 1 ATOM 718 C CG2 . THR A 1 102 ? 68.791 -5.373 20.863 1.00 23.46 ? 102 THR A CG2 1 ATOM 719 N N . LYS A 1 103 ? 68.826 -5.633 17.342 1.00 21.82 ? 103 LYS A N 1 ATOM 720 C CA . LYS A 1 103 ? 69.737 -5.458 16.223 1.00 22.10 ? 103 LYS A CA 1 ATOM 721 C C . LYS A 1 103 ? 70.763 -4.380 16.521 1.00 16.47 ? 103 LYS A C 1 ATOM 722 O O . LYS A 1 103 ? 70.448 -3.304 17.017 1.00 15.19 ? 103 LYS A O 1 ATOM 723 C CB . LYS A 1 103 ? 68.913 -5.127 14.974 1.00 20.11 ? 103 LYS A CB 1 ATOM 724 C CG . LYS A 1 103 ? 67.737 -6.069 14.736 1.00 19.26 ? 103 LYS A CG 1 ATOM 725 C CD . LYS A 1 103 ? 66.961 -5.741 13.475 1.00 18.82 ? 103 LYS A CD 1 ATOM 726 C CE . LYS A 1 103 ? 65.778 -6.686 13.273 1.00 18.55 ? 103 LYS A CE 1 ATOM 727 N NZ . LYS A 1 103 ? 64.733 -6.507 14.321 1.00 15.19 ? 103 LYS A NZ 1 ATOM 728 N N . PRO A 1 104 ? 72.037 -4.616 16.259 1.00 14.33 ? 104 PRO A N 1 ATOM 729 C CA . PRO A 1 104 ? 73.037 -3.605 16.614 1.00 14.01 ? 104 PRO A CA 1 ATOM 730 C C . PRO A 1 104 ? 73.220 -2.544 15.539 1.00 9.71 ? 104 PRO A C 1 ATOM 731 O O . PRO A 1 104 ? 73.352 -2.837 14.352 1.00 11.70 ? 104 PRO A O 1 ATOM 732 C CB . PRO A 1 104 ? 74.318 -4.438 16.726 1.00 14.28 ? 104 PRO A CB 1 ATOM 733 C CG . PRO A 1 104 ? 74.116 -5.558 15.756 1.00 19.49 ? 104 PRO A CG 1 ATOM 734 C CD . PRO A 1 104 ? 72.637 -5.810 15.663 1.00 15.57 ? 104 PRO A CD 1 ATOM 735 N N . LYS A 1 105 ? 73.261 -1.299 15.969 1.00 11.21 ? 105 LYS A N 1 ATOM 736 C CA . LYS A 1 105 ? 73.662 -0.175 15.142 1.00 16.86 ? 105 LYS A CA 1 ATOM 737 C C . LYS A 1 105 ? 75.075 -0.357 14.609 1.00 14.89 ? 105 LYS A C 1 ATOM 738 O O . LYS A 1 105 ? 75.874 -1.044 15.251 1.00 14.04 ? 105 LYS A O 1 ATOM 739 C CB . LYS A 1 105 ? 73.591 1.117 15.958 1.00 16.85 ? 105 LYS A CB 1 ATOM 740 C CG . LYS A 1 105 ? 72.139 1.495 16.244 1.00 18.64 ? 105 LYS A CG 1 ATOM 741 C CD . LYS A 1 105 ? 72.041 2.873 16.857 1.00 26.96 ? 105 LYS A CD 1 ATOM 742 C CE . LYS A 1 105 ? 70.678 3.050 17.507 1.00 32.33 ? 105 LYS A CE 1 ATOM 743 N NZ . LYS A 1 105 ? 70.402 4.526 17.645 1.00 46.20 ? 105 LYS A NZ 1 ATOM 744 N N . PHE A 1 106 ? 75.386 0.235 13.462 1.00 10.72 ? 106 PHE A N 1 ATOM 745 C CA . PHE A 1 106 ? 76.630 -0.170 12.810 1.00 14.65 ? 106 PHE A CA 1 ATOM 746 C C . PHE A 1 106 ? 77.831 0.673 13.207 1.00 15.34 ? 106 PHE A C 1 ATOM 747 O O . PHE A 1 106 ? 78.818 0.127 13.697 1.00 18.23 ? 106 PHE A O 1 ATOM 748 C CB . PHE A 1 106 ? 76.456 -0.152 11.282 1.00 15.28 ? 106 PHE A CB 1 ATOM 749 C CG . PHE A 1 106 ? 77.312 -1.183 10.570 1.00 15.50 ? 106 PHE A CG 1 ATOM 750 C CD1 . PHE A 1 106 ? 76.735 -2.223 9.864 1.00 20.24 ? 106 PHE A CD1 1 ATOM 751 C CD2 . PHE A 1 106 ? 78.697 -1.136 10.606 1.00 24.49 ? 106 PHE A CD2 1 ATOM 752 C CE1 . PHE A 1 106 ? 77.494 -3.170 9.206 1.00 23.21 ? 106 PHE A CE1 1 ATOM 753 C CE2 . PHE A 1 106 ? 79.475 -2.086 9.978 1.00 30.89 ? 106 PHE A CE2 1 ATOM 754 C CZ . PHE A 1 106 ? 78.872 -3.110 9.270 1.00 26.14 ? 106 PHE A CZ 1 ATOM 755 N N . PHE A 1 107 ? 77.778 1.971 12.969 1.00 16.62 ? 107 PHE A N 1 ATOM 756 C CA . PHE A 1 107 ? 78.970 2.801 13.007 1.00 15.83 ? 107 PHE A CA 1 ATOM 757 C C . PHE A 1 107 ? 78.712 4.027 13.873 1.00 16.71 ? 107 PHE A C 1 ATOM 758 O O . PHE A 1 107 ? 78.063 4.956 13.395 1.00 12.70 ? 107 PHE A O 1 ATOM 759 C CB . PHE A 1 107 ? 79.370 3.194 11.586 1.00 15.82 ? 107 PHE A CB 1 ATOM 760 C CG . PHE A 1 107 ? 80.821 3.580 11.426 1.00 17.97 ? 107 PHE A CG 1 ATOM 761 C CD1 . PHE A 1 107 ? 81.306 4.740 12.012 1.00 20.75 ? 107 PHE A CD1 1 ATOM 762 C CD2 . PHE A 1 107 ? 81.687 2.798 10.685 1.00 22.41 ? 107 PHE A CD2 1 ATOM 763 C CE1 . PHE A 1 107 ? 82.622 5.138 11.888 1.00 22.87 ? 107 PHE A CE1 1 ATOM 764 C CE2 . PHE A 1 107 ? 83.014 3.165 10.571 1.00 21.71 ? 107 PHE A CE2 1 ATOM 765 C CZ . PHE A 1 107 ? 83.478 4.329 11.162 1.00 22.18 ? 107 PHE A CZ 1 ATOM 766 N N . ALA A 1 108 ? 79.225 3.991 15.098 1.00 10.93 ? 108 ALA A N 1 ATOM 767 C CA . ALA A 1 108 ? 79.172 5.175 15.951 1.00 14.46 ? 108 ALA A CA 1 ATOM 768 C C . ALA A 1 108 ? 80.310 6.147 15.629 1.00 16.52 ? 108 ALA A C 1 ATOM 769 O O . ALA A 1 108 ? 81.469 5.977 16.020 1.00 15.87 ? 108 ALA A O 1 ATOM 770 C CB . ALA A 1 108 ? 79.213 4.842 17.438 1.00 15.78 ? 108 ALA A CB 1 ATOM 771 N N . ALA A 1 109 ? 79.947 7.197 14.895 1.00 12.78 ? 109 ALA A N 1 ATOM 772 C CA . ALA A 1 109 ? 80.857 8.305 14.629 1.00 10.53 ? 109 ALA A CA 1 ATOM 773 C C . ALA A 1 109 ? 80.578 9.432 15.618 1.00 13.71 ? 109 ALA A C 1 ATOM 774 O O . ALA A 1 109 ? 80.003 10.467 15.250 1.00 12.17 ? 109 ALA A O 1 ATOM 775 C CB . ALA A 1 109 ? 80.698 8.771 13.194 1.00 10.09 ? 109 ALA A CB 1 ATOM 776 N N . HIS A 1 110 ? 80.983 9.208 16.867 1.00 12.91 ? 110 HIS A N 1 ATOM 777 C CA . HIS A 1 110 ? 80.746 10.156 17.945 1.00 15.68 ? 110 HIS A CA 1 ATOM 778 C C . HIS A 1 110 ? 82.034 10.827 18.437 1.00 13.82 ? 110 HIS A C 1 ATOM 779 O O . HIS A 1 110 ? 83.123 10.256 18.445 1.00 13.62 ? 110 HIS A O 1 ATOM 780 C CB . HIS A 1 110 ? 80.077 9.499 19.143 1.00 17.30 ? 110 HIS A CB 1 ATOM 781 C CG . HIS A 1 110 ? 78.792 8.779 18.900 1.00 20.52 ? 110 HIS A CG 1 ATOM 782 N ND1 . HIS A 1 110 ? 78.160 8.756 17.681 1.00 24.39 ? 110 HIS A ND1 1 ATOM 783 C CD2 . HIS A 1 110 ? 78.021 8.060 19.745 1.00 19.89 ? 110 HIS A CD2 1 ATOM 784 C CE1 . HIS A 1 110 ? 77.054 8.035 17.785 1.00 25.96 ? 110 HIS A CE1 1 ATOM 785 N NE2 . HIS A 1 110 ? 76.949 7.595 19.026 1.00 26.69 ? 110 HIS A NE2 1 ATOM 786 N N . SER A 1 111 ? 81.891 12.070 18.865 1.00 14.10 ? 111 SER A N 1 ATOM 787 C CA . SER A 1 111 ? 83.005 12.850 19.397 1.00 22.45 ? 111 SER A CA 1 ATOM 788 C C . SER A 1 111 ? 84.203 12.837 18.451 1.00 19.50 ? 111 SER A C 1 ATOM 789 O O . SER A 1 111 ? 85.332 12.573 18.862 1.00 18.08 ? 111 SER A O 1 ATOM 790 C CB . SER A 1 111 ? 83.438 12.324 20.774 1.00 23.07 ? 111 SER A CB 1 ATOM 791 O OG . SER A 1 111 ? 82.373 12.402 21.694 1.00 27.65 ? 111 SER A OG 1 ATOM 792 N N . LEU A 1 112 ? 83.927 13.120 17.187 1.00 18.93 ? 112 LEU A N 1 ATOM 793 C CA . LEU A 1 112 ? 84.925 13.266 16.150 1.00 15.10 ? 112 LEU A CA 1 ATOM 794 C C . LEU A 1 112 ? 85.084 14.764 15.888 1.00 17.83 ? 112 LEU A C 1 ATOM 795 O O . LEU A 1 112 ? 84.050 15.421 15.785 1.00 21.61 ? 112 LEU A O 1 ATOM 796 C CB . LEU A 1 112 ? 84.542 12.538 14.863 1.00 14.94 ? 112 LEU A CB 1 ATOM 797 C CG . LEU A 1 112 ? 84.687 11.009 14.908 1.00 14.91 ? 112 LEU A CG 1 ATOM 798 C CD1 . LEU A 1 112 ? 83.853 10.334 13.828 1.00 15.59 ? 112 LEU A CD1 1 ATOM 799 C CD2 . LEU A 1 112 ? 86.157 10.651 14.766 1.00 14.26 ? 112 LEU A CD2 1 ATOM 800 N N . THR A 1 113 ? 86.316 15.223 15.788 1.00 14.16 ? 113 THR A N 1 ATOM 801 C CA . THR A 1 113 ? 86.657 16.607 15.522 1.00 16.84 ? 113 THR A CA 1 ATOM 802 C C . THR A 1 113 ? 87.633 16.650 14.345 1.00 17.93 ? 113 THR A C 1 ATOM 803 O O . THR A 1 113 ? 88.668 15.978 14.387 1.00 16.76 ? 113 THR A O 1 ATOM 804 C CB . THR A 1 113 ? 87.344 17.312 16.711 1.00 17.27 ? 113 THR A CB 1 ATOM 805 O OG1 . THR A 1 113 ? 86.468 17.302 17.854 1.00 23.52 ? 113 THR A OG1 1 ATOM 806 C CG2 . THR A 1 113 ? 87.653 18.755 16.356 1.00 16.80 ? 113 THR A CG2 1 ATOM 807 N N . ASN A 1 114 ? 87.296 17.432 13.338 1.00 12.89 ? 114 ASN A N 1 ATOM 808 C CA . ASN A 1 114 ? 88.223 17.627 12.238 1.00 13.73 ? 114 ASN A CA 1 ATOM 809 C C . ASN A 1 114 ? 88.757 16.332 11.645 1.00 19.59 ? 114 ASN A C 1 ATOM 810 O O . ASN A 1 114 ? 89.972 16.186 11.487 1.00 17.22 ? 114 ASN A O 1 ATOM 811 C CB . ASN A 1 114 ? 89.413 18.491 12.689 1.00 16.94 ? 114 ASN A CB 1 ATOM 812 C CG . ASN A 1 114 ? 90.182 19.104 11.535 1.00 30.43 ? 114 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 114 ? 91.427 19.167 11.641 1.00 44.04 ? 114 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 114 ? 89.600 19.586 10.414 1.00 35.53 ? 114 ASN A ND2 1 ATOM 815 N N . SER A 1 115 ? 87.834 15.428 11.311 1.00 15.84 ? 115 SER A N 1 ATOM 816 C CA . SER A 1 115 ? 88.224 14.131 10.775 1.00 11.09 ? 115 SER A CA 1 ATOM 817 C C . SER A 1 115 ? 87.565 13.869 9.427 1.00 15.60 ? 115 SER A C 1 ATOM 818 O O . SER A 1 115 ? 86.606 14.539 9.021 1.00 14.96 ? 115 SER A O 1 ATOM 819 C CB . SER A 1 115 ? 87.862 13.008 11.735 1.00 11.95 ? 115 SER A CB 1 ATOM 820 O OG . SER A 1 115 ? 88.207 13.319 13.075 1.00 16.23 ? 115 SER A OG 1 ATOM 821 N N . VAL A 1 116 ? 88.128 12.887 8.727 1.00 12.86 ? 116 VAL A N 1 ATOM 822 C CA . VAL A 1 116 ? 87.607 12.521 7.420 1.00 10.06 ? 116 VAL A CA 1 ATOM 823 C C . VAL A 1 116 ? 87.381 11.010 7.426 1.00 12.34 ? 116 VAL A C 1 ATOM 824 O O . VAL A 1 116 ? 88.241 10.280 7.912 1.00 14.17 ? 116 VAL A O 1 ATOM 825 C CB . VAL A 1 116 ? 88.531 12.892 6.259 1.00 16.86 ? 116 VAL A CB 1 ATOM 826 C CG1 . VAL A 1 116 ? 87.935 12.457 4.922 1.00 21.60 ? 116 VAL A CG1 1 ATOM 827 C CG2 . VAL A 1 116 ? 88.788 14.395 6.216 1.00 30.53 ? 116 VAL A CG2 1 ATOM 828 N N . ILE A 1 117 ? 86.235 10.592 6.929 1.00 13.36 ? 117 ILE A N 1 ATOM 829 C CA . ILE A 1 117 ? 85.909 9.188 6.671 1.00 13.35 ? 117 ILE A CA 1 ATOM 830 C C . ILE A 1 117 ? 85.643 9.076 5.176 1.00 12.32 ? 117 ILE A C 1 ATOM 831 O O . ILE A 1 117 ? 84.717 9.730 4.686 1.00 12.83 ? 117 ILE A O 1 ATOM 832 C CB . ILE A 1 117 ? 84.725 8.694 7.518 1.00 9.40 ? 117 ILE A CB 1 ATOM 833 C CG1 . ILE A 1 117 ? 84.921 8.889 9.023 1.00 12.05 ? 117 ILE A CG1 1 ATOM 834 C CG2 . ILE A 1 117 ? 84.422 7.236 7.193 1.00 16.36 ? 117 ILE A CG2 1 ATOM 835 C CD1 . ILE A 1 117 ? 83.754 8.517 9.904 1.00 15.94 ? 117 ILE A CD1 1 ATOM 836 N N . SER A 1 118 ? 86.482 8.333 4.453 1.00 13.60 ? 118 SER A N 1 ATOM 837 C CA . SER A 1 118 ? 86.340 8.302 3.011 1.00 13.18 ? 118 SER A CA 1 ATOM 838 C C . SER A 1 118 ? 86.469 6.898 2.425 1.00 12.09 ? 118 SER A C 1 ATOM 839 O O . SER A 1 118 ? 87.306 6.110 2.833 1.00 15.50 ? 118 SER A O 1 ATOM 840 C CB . SER A 1 118 ? 87.354 9.185 2.268 1.00 16.63 ? 118 SER A CB 1 ATOM 841 O OG . SER A 1 118 ? 88.661 8.879 2.646 1.00 25.50 ? 118 SER A OG 1 ATOM 842 N N . GLY A 1 119 ? 85.652 6.676 1.421 1.00 9.90 ? 119 GLY A N 1 ATOM 843 C CA . GLY A 1 119 ? 85.702 5.519 0.579 1.00 13.90 ? 119 GLY A CA 1 ATOM 844 C C . GLY A 1 119 ? 85.234 4.234 1.220 1.00 15.38 ? 119 GLY A C 1 ATOM 845 O O . GLY A 1 119 ? 85.491 3.167 0.654 1.00 19.91 ? 119 GLY A O 1 ATOM 846 N N . LEU A 1 120 ? 84.561 4.262 2.365 1.00 15.68 ? 120 LEU A N 1 ATOM 847 C CA . LEU A 1 120 ? 84.090 3.010 2.948 1.00 12.86 ? 120 LEU A CA 1 ATOM 848 C C . LEU A 1 120 ? 82.941 2.404 2.141 1.00 16.51 ? 120 LEU A C 1 ATOM 849 O O . LEU A 1 120 ? 82.057 3.092 1.624 1.00 16.21 ? 120 LEU A O 1 ATOM 850 C CB . LEU A 1 120 ? 83.636 3.196 4.392 1.00 13.52 ? 120 LEU A CB 1 ATOM 851 C CG . LEU A 1 120 ? 84.687 3.694 5.385 1.00 16.49 ? 120 LEU A CG 1 ATOM 852 C CD1 . LEU A 1 120 ? 84.146 3.625 6.805 1.00 17.97 ? 120 LEU A CD1 1 ATOM 853 C CD2 . LEU A 1 120 ? 85.966 2.880 5.264 1.00 14.70 ? 120 LEU A CD2 1 ATOM 854 N N . LYS A 1 121 ? 82.949 1.087 2.048 1.00 14.38 ? 121 LYS A N 1 ATOM 855 C CA . LYS A 1 121 ? 81.928 0.279 1.412 1.00 13.44 ? 121 LYS A CA 1 ATOM 856 C C . LYS A 1 121 ? 81.323 -0.622 2.486 1.00 15.11 ? 121 LYS A C 1 ATOM 857 O O . LYS A 1 121 ? 81.969 -1.493 3.069 1.00 12.65 ? 121 LYS A O 1 ATOM 858 C CB . LYS A 1 121 ? 82.493 -0.500 0.228 1.00 16.36 ? 121 LYS A CB 1 ATOM 859 C CG . LYS A 1 121 ? 81.390 -1.195 -0.566 1.00 27.35 ? 121 LYS A CG 1 ATOM 860 C CD . LYS A 1 121 ? 81.930 -2.422 -1.289 1.00 30.73 ? 121 LYS A CD 1 ATOM 861 C CE . LYS A 1 121 ? 80.924 -2.917 -2.342 1.00 36.80 ? 121 LYS A CE 1 ATOM 862 N NZ . LYS A 1 121 ? 81.504 -2.733 -3.722 1.00 53.15 ? 121 LYS A NZ 1 ATOM 863 N N . ILE A 1 122 ? 80.062 -0.342 2.788 1.00 9.15 ? 122 ILE A N 1 ATOM 864 C CA . ILE A 1 122 ? 79.340 -1.065 3.823 1.00 12.66 ? 122 ILE A CA 1 ATOM 865 C C . ILE A 1 122 ? 78.245 -1.891 3.143 1.00 13.78 ? 122 ILE A C 1 ATOM 866 O O . ILE A 1 122 ? 77.552 -1.352 2.273 1.00 12.61 ? 122 ILE A O 1 ATOM 867 C CB . ILE A 1 122 ? 78.720 -0.144 4.887 1.00 17.82 ? 122 ILE A CB 1 ATOM 868 C CG1 . ILE A 1 122 ? 79.752 0.526 5.810 1.00 23.86 ? 122 ILE A CG1 1 ATOM 869 C CG2 . ILE A 1 122 ? 77.696 -0.906 5.726 1.00 18.12 ? 122 ILE A CG2 1 ATOM 870 C CD1 . ILE A 1 122 ? 80.088 1.946 5.424 1.00 24.60 ? 122 ILE A CD1 1 ATOM 871 N N . VAL A 1 123 ? 78.118 -3.143 3.543 1.00 12.42 ? 123 VAL A N 1 ATOM 872 C CA . VAL A 1 123 ? 77.179 -4.068 2.915 1.00 14.88 ? 123 VAL A CA 1 ATOM 873 C C . VAL A 1 123 ? 76.276 -4.649 3.994 1.00 15.54 ? 123 VAL A C 1 ATOM 874 O O . VAL A 1 123 ? 76.815 -5.117 4.997 1.00 14.29 ? 123 VAL A O 1 ATOM 875 C CB . VAL A 1 123 ? 77.920 -5.177 2.153 1.00 22.06 ? 123 VAL A CB 1 ATOM 876 C CG1 . VAL A 1 123 ? 76.983 -6.276 1.654 1.00 21.42 ? 123 VAL A CG1 1 ATOM 877 C CG2 . VAL A 1 123 ? 78.674 -4.574 0.980 1.00 25.46 ? 123 VAL A CG2 1 ATOM 878 N N . ASN A 1 124 ? 74.967 -4.594 3.799 1.00 13.42 ? 124 ASN A N 1 ATOM 879 C CA . ASN A 1 124 ? 73.973 -5.280 4.615 1.00 12.77 ? 124 ASN A CA 1 ATOM 880 C C . ASN A 1 124 ? 74.117 -5.034 6.108 1.00 14.65 ? 124 ASN A C 1 ATOM 881 O O . ASN A 1 124 ? 74.380 -5.925 6.921 1.00 13.17 ? 124 ASN A O 1 ATOM 882 C CB . ASN A 1 124 ? 74.022 -6.777 4.309 1.00 16.46 ? 124 ASN A CB 1 ATOM 883 C CG . ASN A 1 124 ? 73.564 -7.112 2.905 1.00 18.98 ? 124 ASN A CG 1 ATOM 884 O OD1 . ASN A 1 124 ? 72.780 -6.369 2.305 1.00 20.40 ? 124 ASN A OD1 1 ATOM 885 N ND2 . ASN A 1 124 ? 74.033 -8.230 2.377 1.00 22.40 ? 124 ASN A ND2 1 ATOM 886 N N . SER A 1 125 ? 73.914 -3.774 6.499 1.00 13.92 ? 125 SER A N 1 ATOM 887 C CA . SER A 1 125 ? 73.811 -3.453 7.909 1.00 14.59 ? 125 SER A CA 1 ATOM 888 C C . SER A 1 125 ? 72.558 -4.081 8.544 1.00 13.74 ? 125 SER A C 1 ATOM 889 O O . SER A 1 125 ? 71.504 -4.160 7.895 1.00 14.33 ? 125 SER A O 1 ATOM 890 C CB . SER A 1 125 ? 73.750 -1.950 8.172 1.00 14.08 ? 125 SER A CB 1 ATOM 891 O OG . SER A 1 125 ? 72.414 -1.498 7.987 1.00 19.13 ? 125 SER A OG 1 ATOM 892 N N . PRO A 1 126 ? 72.654 -4.518 9.793 1.00 15.35 ? 126 PRO A N 1 ATOM 893 C CA . PRO A 1 126 ? 71.479 -5.020 10.510 1.00 15.54 ? 126 PRO A CA 1 ATOM 894 C C . PRO A 1 126 ? 70.349 -3.997 10.620 1.00 17.59 ? 126 PRO A C 1 ATOM 895 O O . PRO A 1 126 ? 69.195 -4.333 10.363 1.00 13.94 ? 126 PRO A O 1 ATOM 896 C CB . PRO A 1 126 ? 72.027 -5.313 11.913 1.00 15.80 ? 126 PRO A CB 1 ATOM 897 C CG . PRO A 1 126 ? 73.467 -5.640 11.674 1.00 13.17 ? 126 PRO A CG 1 ATOM 898 C CD . PRO A 1 126 ? 73.868 -4.652 10.627 1.00 16.60 ? 126 PRO A CD 1 ATOM 899 N N . VAL A 1 127 ? 70.693 -2.778 10.999 1.00 12.96 ? 127 VAL A N 1 ATOM 900 C CA . VAL A 1 127 ? 69.754 -1.662 11.184 1.00 11.78 ? 127 VAL A CA 1 ATOM 901 C C . VAL A 1 127 ? 70.417 -0.350 10.790 1.00 7.85 ? 127 VAL A C 1 ATOM 902 O O . VAL A 1 127 ? 70.996 -0.292 9.674 1.00 10.61 ? 127 VAL A O 1 ATOM 903 C CB . VAL A 1 127 ? 69.180 -1.832 12.611 1.00 13.96 ? 127 VAL A CB 1 ATOM 904 C CG1 . VAL A 1 127 ? 70.155 -1.589 13.758 1.00 12.90 ? 127 VAL A CG1 1 ATOM 905 C CG2 . VAL A 1 127 ? 67.922 -0.967 12.755 1.00 22.30 ? 127 VAL A CG2 1 ATOM 906 N N . GLN A 1 128 ? 70.411 0.749 11.506 1.00 10.70 ? 128 GLN A N 1 ATOM 907 C CA . GLN A 1 128 ? 71.007 2.011 11.066 1.00 12.36 ? 128 GLN A CA 1 ATOM 908 C C . GLN A 1 128 ? 72.509 1.875 10.876 1.00 10.01 ? 128 GLN A C 1 ATOM 909 O O . GLN A 1 128 ? 73.201 1.111 11.556 1.00 13.54 ? 128 GLN A O 1 ATOM 910 C CB . GLN A 1 128 ? 70.691 3.118 12.081 1.00 15.21 ? 128 GLN A CB 1 ATOM 911 C CG . GLN A 1 128 ? 69.216 3.454 12.228 1.00 17.64 ? 128 GLN A CG 1 ATOM 912 C CD . GLN A 1 128 ? 68.558 2.687 13.365 1.00 17.54 ? 128 GLN A CD 1 ATOM 913 O OE1 . GLN A 1 128 ? 69.088 1.687 13.850 1.00 17.57 ? 128 GLN A OE1 1 ATOM 914 N NE2 . GLN A 1 128 ? 67.388 3.117 13.827 1.00 25.29 ? 128 GLN A NE2 1 ATOM 915 N N . VAL A 1 129 ? 73.030 2.615 9.914 1.00 12.12 ? 129 VAL A N 1 ATOM 916 C CA . VAL A 1 129 ? 74.448 2.534 9.602 1.00 11.11 ? 129 VAL A CA 1 ATOM 917 C C . VAL A 1 129 ? 75.229 3.602 10.344 1.00 11.19 ? 129 VAL A C 1 ATOM 918 O O . VAL A 1 129 ? 75.801 3.302 11.394 1.00 12.57 ? 129 VAL A O 1 ATOM 919 C CB . VAL A 1 129 ? 74.704 2.595 8.084 1.00 14.21 ? 129 VAL A CB 1 ATOM 920 C CG1 . VAL A 1 129 ? 76.147 2.195 7.788 1.00 15.84 ? 129 VAL A CG1 1 ATOM 921 C CG2 . VAL A 1 129 ? 73.734 1.703 7.318 1.00 13.62 ? 129 VAL A CG2 1 ATOM 922 N N . PHE A 1 130 ? 75.283 4.844 9.873 1.00 11.59 ? 130 PHE A N 1 ATOM 923 C CA . PHE A 1 130 ? 76.078 5.837 10.595 1.00 10.82 ? 130 PHE A CA 1 ATOM 924 C C . PHE A 1 130 ? 75.211 6.622 11.568 1.00 14.38 ? 130 PHE A C 1 ATOM 925 O O . PHE A 1 130 ? 74.222 7.264 11.205 1.00 15.16 ? 130 PHE A O 1 ATOM 926 C CB . PHE A 1 130 ? 76.762 6.800 9.631 1.00 10.45 ? 130 PHE A CB 1 ATOM 927 C CG . PHE A 1 130 ? 77.943 6.216 8.886 1.00 13.03 ? 130 PHE A CG 1 ATOM 928 C CD1 . PHE A 1 130 ? 77.775 5.698 7.610 1.00 15.24 ? 130 PHE A CD1 1 ATOM 929 C CD2 . PHE A 1 130 ? 79.195 6.203 9.489 1.00 17.09 ? 130 PHE A CD2 1 ATOM 930 C CE1 . PHE A 1 130 ? 78.846 5.137 6.939 1.00 15.76 ? 130 PHE A CE1 1 ATOM 931 C CE2 . PHE A 1 130 ? 80.272 5.652 8.825 1.00 21.30 ? 130 PHE A CE2 1 ATOM 932 C CZ . PHE A 1 130 ? 80.087 5.127 7.558 1.00 18.36 ? 130 PHE A CZ 1 ATOM 933 N N . SER A 1 131 ? 75.634 6.567 12.814 1.00 12.64 ? 131 SER A N 1 ATOM 934 C CA . SER A 1 131 ? 75.152 7.446 13.859 1.00 12.76 ? 131 SER A CA 1 ATOM 935 C C . SER A 1 131 ? 76.188 8.540 14.098 1.00 15.30 ? 131 SER A C 1 ATOM 936 O O . SER A 1 131 ? 77.256 8.281 14.640 1.00 15.22 ? 131 SER A O 1 ATOM 937 C CB . SER A 1 131 ? 74.882 6.664 15.141 1.00 11.55 ? 131 SER A CB 1 ATOM 938 O OG . SER A 1 131 ? 74.631 7.572 16.202 1.00 19.87 ? 131 SER A OG 1 ATOM 939 N N . VAL A 1 132 ? 75.889 9.760 13.664 1.00 15.44 ? 132 VAL A N 1 ATOM 940 C CA . VAL A 1 132 ? 76.813 10.871 13.879 1.00 14.68 ? 132 VAL A CA 1 ATOM 941 C C . VAL A 1 132 ? 76.285 11.723 15.020 1.00 14.38 ? 132 VAL A C 1 ATOM 942 O O . VAL A 1 132 ? 75.145 12.172 14.992 1.00 16.66 ? 132 VAL A O 1 ATOM 943 C CB . VAL A 1 132 ? 76.974 11.694 12.594 1.00 14.84 ? 132 VAL A CB 1 ATOM 944 C CG1 . VAL A 1 132 ? 77.870 12.907 12.791 1.00 13.72 ? 132 VAL A CG1 1 ATOM 945 C CG2 . VAL A 1 132 ? 77.476 10.777 11.488 1.00 16.46 ? 132 VAL A CG2 1 ATOM 946 N N . ALA A 1 133 ? 77.113 11.917 16.030 1.00 16.75 ? 133 ALA A N 1 ATOM 947 C CA . ALA A 1 133 ? 76.755 12.619 17.246 1.00 15.42 ? 133 ALA A CA 1 ATOM 948 C C . ALA A 1 133 ? 77.986 13.280 17.852 1.00 15.33 ? 133 ALA A C 1 ATOM 949 O O . ALA A 1 133 ? 79.059 12.692 17.882 1.00 11.18 ? 133 ALA A O 1 ATOM 950 C CB . ALA A 1 133 ? 76.157 11.639 18.253 1.00 15.21 ? 133 ALA A CB 1 ATOM 951 N N . GLY A 1 134 ? 77.822 14.483 18.335 1.00 15.40 ? 134 GLY A N 1 ATOM 952 C CA . GLY A 1 134 ? 78.729 15.205 19.188 1.00 19.01 ? 134 GLY A CA 1 ATOM 953 C C . GLY A 1 134 ? 80.024 15.507 18.449 1.00 21.21 ? 134 GLY A C 1 ATOM 954 O O . GLY A 1 134 ? 81.072 15.591 19.082 1.00 23.96 ? 134 GLY A O 1 ATOM 955 N N . SER A 1 135 ? 79.907 15.669 17.141 1.00 17.08 ? 135 SER A N 1 ATOM 956 C CA . SER A 1 135 ? 81.039 15.763 16.235 1.00 14.57 ? 135 SER A CA 1 ATOM 957 C C . SER A 1 135 ? 81.102 17.134 15.580 1.00 18.33 ? 135 SER A C 1 ATOM 958 O O . SER A 1 135 ? 80.047 17.759 15.393 1.00 20.98 ? 135 SER A O 1 ATOM 959 C CB . SER A 1 135 ? 80.937 14.665 15.174 1.00 13.46 ? 135 SER A CB 1 ATOM 960 O OG . SER A 1 135 ? 81.125 13.371 15.717 1.00 14.89 ? 135 SER A OG 1 ATOM 961 N N . ASP A 1 136 ? 82.298 17.618 15.260 1.00 13.32 ? 136 ASP A N 1 ATOM 962 C CA . ASP A 1 136 ? 82.515 18.931 14.682 1.00 12.62 ? 136 ASP A CA 1 ATOM 963 C C . ASP A 1 136 ? 83.533 18.891 13.562 1.00 9.34 ? 136 ASP A C 1 ATOM 964 O O . ASP A 1 136 ? 84.628 18.370 13.758 1.00 17.11 ? 136 ASP A O 1 ATOM 965 C CB . ASP A 1 136 ? 82.998 19.915 15.759 1.00 16.23 ? 136 ASP A CB 1 ATOM 966 C CG . ASP A 1 136 ? 81.931 20.059 16.833 1.00 23.06 ? 136 ASP A CG 1 ATOM 967 O OD1 . ASP A 1 136 ? 80.825 20.558 16.518 1.00 29.14 ? 136 ASP A OD1 1 ATOM 968 O OD2 . ASP A 1 136 ? 82.152 19.624 17.983 1.00 33.62 ? 136 ASP A OD2 1 ATOM 969 N N . TYR A 1 137 ? 83.209 19.427 12.406 1.00 9.56 ? 137 TYR A N 1 ATOM 970 C CA . TYR A 1 137 ? 84.052 19.408 11.221 1.00 11.58 ? 137 TYR A CA 1 ATOM 971 C C . TYR A 1 137 ? 84.378 17.969 10.854 1.00 13.96 ? 137 TYR A C 1 ATOM 972 O O . TYR A 1 137 ? 85.508 17.517 10.960 1.00 16.75 ? 137 TYR A O 1 ATOM 973 C CB . TYR A 1 137 ? 85.334 20.224 11.422 1.00 16.47 ? 137 TYR A CB 1 ATOM 974 C CG . TYR A 1 137 ? 85.036 21.652 11.805 1.00 16.97 ? 137 TYR A CG 1 ATOM 975 C CD1 . TYR A 1 137 ? 84.847 22.628 10.844 1.00 19.30 ? 137 TYR A CD1 1 ATOM 976 C CD2 . TYR A 1 137 ? 84.932 21.981 13.151 1.00 21.36 ? 137 TYR A CD2 1 ATOM 977 C CE1 . TYR A 1 137 ? 84.568 23.931 11.217 1.00 19.46 ? 137 TYR A CE1 1 ATOM 978 C CE2 . TYR A 1 137 ? 84.653 23.278 13.529 1.00 23.45 ? 137 TYR A CE2 1 ATOM 979 C CZ . TYR A 1 137 ? 84.477 24.235 12.555 1.00 24.38 ? 137 TYR A CZ 1 ATOM 980 O OH . TYR A 1 137 ? 84.199 25.524 12.959 1.00 38.18 ? 137 TYR A OH 1 ATOM 981 N N . LEU A 1 138 ? 83.330 17.264 10.441 1.00 13.81 ? 138 LEU A N 1 ATOM 982 C CA . LEU A 1 138 ? 83.428 15.893 9.992 1.00 17.09 ? 138 LEU A CA 1 ATOM 983 C C . LEU A 1 138 ? 83.069 15.799 8.515 1.00 14.28 ? 138 LEU A C 1 ATOM 984 O O . LEU A 1 138 ? 81.997 16.241 8.112 1.00 15.43 ? 138 LEU A O 1 ATOM 985 C CB . LEU A 1 138 ? 82.498 15.004 10.820 1.00 13.41 ? 138 LEU A CB 1 ATOM 986 C CG . LEU A 1 138 ? 82.517 13.518 10.482 1.00 16.01 ? 138 LEU A CG 1 ATOM 987 C CD1 . LEU A 1 138 ? 83.890 12.931 10.711 1.00 18.24 ? 138 LEU A CD1 1 ATOM 988 C CD2 . LEU A 1 138 ? 81.465 12.786 11.317 1.00 21.29 ? 138 LEU A CD2 1 ATOM 989 N N . THR A 1 139 ? 83.935 15.240 7.696 1.00 12.35 ? 139 THR A N 1 ATOM 990 C CA . THR A 1 139 ? 83.609 14.976 6.297 1.00 11.43 ? 139 THR A CA 1 ATOM 991 C C . THR A 1 139 ? 83.403 13.489 6.061 1.00 13.08 ? 139 THR A C 1 ATOM 992 O O . THR A 1 139 ? 84.289 12.676 6.365 1.00 14.51 ? 139 THR A O 1 ATOM 993 C CB . THR A 1 139 ? 84.751 15.452 5.383 1.00 13.95 ? 139 THR A CB 1 ATOM 994 O OG1 . THR A 1 139 ? 84.966 16.839 5.635 1.00 15.43 ? 139 THR A OG1 1 ATOM 995 C CG2 . THR A 1 139 ? 84.413 15.309 3.915 1.00 13.96 ? 139 THR A CG2 1 ATOM 996 N N . LEU A 1 140 ? 82.255 13.128 5.510 1.00 7.08 ? 140 LEU A N 1 ATOM 997 C CA . LEU A 1 140 ? 82.053 11.750 5.097 1.00 9.78 ? 140 LEU A CA 1 ATOM 998 C C . LEU A 1 140 ? 82.003 11.726 3.579 1.00 9.03 ? 140 LEU A C 1 ATOM 999 O O . LEU A 1 140 ? 81.076 12.264 2.967 1.00 15.20 ? 140 LEU A O 1 ATOM 1000 C CB . LEU A 1 140 ? 80.804 11.167 5.737 1.00 12.25 ? 140 LEU A CB 1 ATOM 1001 C CG . LEU A 1 140 ? 80.819 11.214 7.270 1.00 17.00 ? 140 LEU A CG 1 ATOM 1002 C CD1 . LEU A 1 140 ? 79.731 12.140 7.775 1.00 20.45 ? 140 LEU A CD1 1 ATOM 1003 C CD2 . LEU A 1 140 ? 80.663 9.812 7.829 1.00 27.47 ? 140 LEU A CD2 1 ATOM 1004 N N . LYS A 1 141 ? 83.011 11.150 2.931 1.00 8.88 ? 141 LYS A N 1 ATOM 1005 C CA . LYS A 1 141 ? 82.966 11.223 1.467 1.00 14.85 ? 141 LYS A CA 1 ATOM 1006 C C . LYS A 1 141 ? 83.163 9.897 0.750 1.00 14.39 ? 141 LYS A C 1 ATOM 1007 O O . LYS A 1 141 ? 83.922 9.025 1.179 1.00 13.92 ? 141 LYS A O 1 ATOM 1008 C CB . LYS A 1 141 ? 84.019 12.221 0.987 1.00 19.83 ? 141 LYS A CB 1 ATOM 1009 C CG . LYS A 1 141 ? 85.380 11.576 0.870 1.00 29.94 ? 141 LYS A CG 1 ATOM 1010 C CD . LYS A 1 141 ? 86.479 12.641 0.995 1.00 42.94 ? 141 LYS A CD 1 ATOM 1011 C CE . LYS A 1 141 ? 86.902 13.100 -0.401 1.00 46.57 ? 141 LYS A CE 1 ATOM 1012 N NZ . LYS A 1 141 ? 85.686 13.251 -1.286 1.00 60.67 ? 141 LYS A NZ 1 ATOM 1013 N N . ASP A 1 142 ? 82.464 9.804 -0.376 1.00 12.30 ? 142 ASP A N 1 ATOM 1014 C CA . ASP A 1 142 ? 82.476 8.639 -1.244 1.00 15.16 ? 142 ASP A CA 1 ATOM 1015 C C . ASP A 1 142 ? 82.156 7.367 -0.476 1.00 10.68 ? 142 ASP A C 1 ATOM 1016 O O . ASP A 1 142 ? 82.869 6.360 -0.581 1.00 14.51 ? 142 ASP A O 1 ATOM 1017 C CB . ASP A 1 142 ? 83.849 8.508 -1.919 1.00 18.45 ? 142 ASP A CB 1 ATOM 1018 C CG . ASP A 1 142 ? 84.103 9.715 -2.806 1.00 24.78 ? 142 ASP A CG 1 ATOM 1019 O OD1 . ASP A 1 142 ? 83.121 10.420 -3.129 1.00 21.76 ? 142 ASP A OD1 1 ATOM 1020 O OD2 . ASP A 1 142 ? 85.274 9.960 -3.165 1.00 33.60 ? 142 ASP A OD2 1 ATOM 1021 N N . ILE A 1 143 ? 81.100 7.426 0.322 1.00 9.08 ? 143 ILE A N 1 ATOM 1022 C CA . ILE A 1 143 ? 80.721 6.282 1.126 1.00 11.74 ? 143 ILE A CA 1 ATOM 1023 C C . ILE A 1 143 ? 79.628 5.527 0.360 1.00 16.82 ? 143 ILE A C 1 ATOM 1024 O O . ILE A 1 143 ? 78.683 6.170 -0.103 1.00 16.28 ? 143 ILE A O 1 ATOM 1025 C CB . ILE A 1 143 ? 80.199 6.656 2.515 1.00 16.59 ? 143 ILE A CB 1 ATOM 1026 C CG1 . ILE A 1 143 ? 81.186 7.366 3.447 1.00 20.03 ? 143 ILE A CG1 1 ATOM 1027 C CG2 . ILE A 1 143 ? 79.639 5.410 3.213 1.00 11.58 ? 143 ILE A CG2 1 ATOM 1028 C CD1 . ILE A 1 143 ? 82.470 6.645 3.708 1.00 20.24 ? 143 ILE A CD1 1 ATOM 1029 N N . THR A 1 144 ? 79.785 4.221 0.248 1.00 14.63 ? 144 THR A N 1 ATOM 1030 C CA . THR A 1 144 ? 78.839 3.346 -0.412 1.00 15.90 ? 144 THR A CA 1 ATOM 1031 C C . THR A 1 144 ? 78.194 2.403 0.605 1.00 18.01 ? 144 THR A C 1 ATOM 1032 O O . THR A 1 144 ? 78.906 1.700 1.317 1.00 12.27 ? 144 THR A O 1 ATOM 1033 C CB . THR A 1 144 ? 79.461 2.475 -1.521 1.00 15.74 ? 144 THR A CB 1 ATOM 1034 O OG1 . THR A 1 144 ? 79.985 3.307 -2.551 1.00 13.63 ? 144 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 144 ? 78.392 1.614 -2.188 1.00 16.32 ? 144 THR A CG2 1 ATOM 1036 N N . ILE A 1 145 ? 76.866 2.450 0.656 1.00 13.99 ? 145 ILE A N 1 ATOM 1037 C CA . ILE A 1 145 ? 76.073 1.647 1.563 1.00 13.88 ? 145 ILE A CA 1 ATOM 1038 C C . ILE A 1 145 ? 75.098 0.830 0.727 1.00 15.23 ? 145 ILE A C 1 ATOM 1039 O O . ILE A 1 145 ? 74.203 1.370 0.085 1.00 13.81 ? 145 ILE A O 1 ATOM 1040 C CB . ILE A 1 145 ? 75.293 2.488 2.589 1.00 15.57 ? 145 ILE A CB 1 ATOM 1041 C CG1 . ILE A 1 145 ? 76.222 3.305 3.486 1.00 17.99 ? 145 ILE A CG1 1 ATOM 1042 C CG2 . ILE A 1 145 ? 74.354 1.615 3.402 1.00 15.58 ? 145 ILE A CG2 1 ATOM 1043 C CD1 . ILE A 1 145 ? 75.548 4.302 4.382 1.00 18.52 ? 145 ILE A CD1 1 ATOM 1044 N N . ASP A 1 146 ? 75.321 -0.467 0.733 1.00 13.35 ? 146 ASP A N 1 ATOM 1045 C CA . ASP A 1 146 ? 74.525 -1.357 -0.090 1.00 14.05 ? 146 ASP A CA 1 ATOM 1046 C C . ASP A 1 146 ? 73.711 -2.290 0.787 1.00 14.01 ? 146 ASP A C 1 ATOM 1047 O O . ASP A 1 146 ? 74.166 -3.349 1.191 1.00 14.34 ? 146 ASP A O 1 ATOM 1048 C CB . ASP A 1 146 ? 75.380 -2.197 -1.051 1.00 17.57 ? 146 ASP A CB 1 ATOM 1049 C CG . ASP A 1 146 ? 74.517 -3.050 -1.967 1.00 21.75 ? 146 ASP A CG 1 ATOM 1050 O OD1 . ASP A 1 146 ? 73.278 -3.148 -1.825 1.00 21.29 ? 146 ASP A OD1 1 ATOM 1051 O OD2 . ASP A 1 146 ? 75.107 -3.655 -2.888 1.00 27.11 ? 146 ASP A OD2 1 ATOM 1052 N N . ASN A 1 147 ? 72.471 -1.893 1.034 1.00 17.22 ? 147 ASN A N 1 ATOM 1053 C CA . ASN A 1 147 ? 71.570 -2.798 1.726 1.00 12.41 ? 147 ASN A CA 1 ATOM 1054 C C . ASN A 1 147 ? 70.506 -3.314 0.770 1.00 11.49 ? 147 ASN A C 1 ATOM 1055 O O . ASN A 1 147 ? 69.420 -3.616 1.258 1.00 13.22 ? 147 ASN A O 1 ATOM 1056 C CB . ASN A 1 147 ? 70.888 -2.099 2.892 1.00 12.74 ? 147 ASN A CB 1 ATOM 1057 C CG . ASN A 1 147 ? 71.839 -1.822 4.038 1.00 18.55 ? 147 ASN A CG 1 ATOM 1058 O OD1 . ASN A 1 147 ? 72.846 -2.490 4.213 1.00 17.55 ? 147 ASN A OD1 1 ATOM 1059 N ND2 . ASN A 1 147 ? 71.485 -0.777 4.795 1.00 27.55 ? 147 ASN A ND2 1 ATOM 1060 N N . SER A 1 148 ? 70.813 -3.385 -0.516 1.00 13.18 ? 148 SER A N 1 ATOM 1061 C CA . SER A 1 148 ? 69.810 -3.767 -1.504 1.00 18.98 ? 148 SER A CA 1 ATOM 1062 C C . SER A 1 148 ? 69.225 -5.146 -1.229 1.00 17.15 ? 148 SER A C 1 ATOM 1063 O O . SER A 1 148 ? 68.068 -5.411 -1.557 1.00 13.00 ? 148 SER A O 1 ATOM 1064 C CB . SER A 1 148 ? 70.372 -3.685 -2.920 1.00 18.19 ? 148 SER A CB 1 ATOM 1065 O OG . SER A 1 148 ? 71.513 -4.489 -3.110 1.00 19.15 ? 148 SER A OG 1 ATOM 1066 N N . ASP A 1 149 ? 69.968 -6.038 -0.588 1.00 14.95 ? 149 ASP A N 1 ATOM 1067 C CA . ASP A 1 149 ? 69.397 -7.341 -0.280 1.00 17.90 ? 149 ASP A CA 1 ATOM 1068 C C . ASP A 1 149 ? 68.256 -7.225 0.720 1.00 17.62 ? 149 ASP A C 1 ATOM 1069 O O . ASP A 1 149 ? 67.441 -8.134 0.864 1.00 20.71 ? 149 ASP A O 1 ATOM 1070 C CB . ASP A 1 149 ? 70.444 -8.288 0.311 1.00 23.44 ? 149 ASP A CB 1 ATOM 1071 C CG . ASP A 1 149 ? 71.518 -8.732 -0.656 1.00 24.30 ? 149 ASP A CG 1 ATOM 1072 O OD1 . ASP A 1 149 ? 72.523 -9.319 -0.179 1.00 32.59 ? 149 ASP A OD1 1 ATOM 1073 O OD2 . ASP A 1 149 ? 71.393 -8.521 -1.877 1.00 26.39 ? 149 ASP A OD2 1 ATOM 1074 N N . GLY A 1 150 ? 68.197 -6.120 1.459 1.00 19.95 ? 150 GLY A N 1 ATOM 1075 C CA . GLY A 1 150 ? 67.184 -5.982 2.490 1.00 14.73 ? 150 GLY A CA 1 ATOM 1076 C C . GLY A 1 150 ? 65.808 -5.708 1.922 1.00 10.98 ? 150 GLY A C 1 ATOM 1077 O O . GLY A 1 150 ? 64.844 -5.861 2.664 1.00 15.03 ? 150 GLY A O 1 ATOM 1078 N N . ASP A 1 151 ? 65.724 -5.300 0.663 1.00 13.92 ? 151 ASP A N 1 ATOM 1079 C CA . ASP A 1 151 ? 64.446 -4.909 0.082 1.00 21.94 ? 151 ASP A CA 1 ATOM 1080 C C . ASP A 1 151 ? 63.426 -6.048 0.163 1.00 26.36 ? 151 ASP A C 1 ATOM 1081 O O . ASP A 1 151 ? 62.274 -5.844 0.571 1.00 27.26 ? 151 ASP A O 1 ATOM 1082 C CB . ASP A 1 151 ? 64.608 -4.485 -1.377 1.00 25.08 ? 151 ASP A CB 1 ATOM 1083 C CG . ASP A 1 151 ? 65.292 -3.135 -1.514 1.00 26.45 ? 151 ASP A CG 1 ATOM 1084 O OD1 . ASP A 1 151 ? 65.580 -2.732 -2.661 1.00 31.26 ? 151 ASP A OD1 1 ATOM 1085 O OD2 . ASP A 1 151 ? 65.535 -2.495 -0.476 1.00 25.72 ? 151 ASP A OD2 1 ATOM 1086 N N . ASP A 1 152 ? 63.869 -7.239 -0.222 1.00 28.22 ? 152 ASP A N 1 ATOM 1087 C CA . ASP A 1 152 ? 62.992 -8.408 -0.179 1.00 37.48 ? 152 ASP A CA 1 ATOM 1088 C C . ASP A 1 152 ? 63.347 -9.369 0.946 1.00 35.96 ? 152 ASP A C 1 ATOM 1089 O O . ASP A 1 152 ? 63.034 -10.567 0.876 1.00 40.95 ? 152 ASP A O 1 ATOM 1090 C CB . ASP A 1 152 ? 63.050 -9.163 -1.516 1.00 42.62 ? 152 ASP A CB 1 ATOM 1091 C CG . ASP A 1 152 ? 62.205 -8.536 -2.606 1.00 48.71 ? 152 ASP A CG 1 ATOM 1092 O OD1 . ASP A 1 152 ? 61.196 -7.860 -2.309 1.00 51.26 ? 152 ASP A OD1 1 ATOM 1093 O OD2 . ASP A 1 152 ? 62.590 -8.731 -3.784 1.00 59.32 ? 152 ASP A OD2 1 ATOM 1094 N N . ASN A 1 153 ? 64.019 -8.901 1.997 1.00 25.03 ? 153 ASN A N 1 ATOM 1095 C CA . ASN A 1 153 ? 64.418 -9.832 3.043 1.00 22.93 ? 153 ASN A CA 1 ATOM 1096 C C . ASN A 1 153 ? 64.247 -9.243 4.431 1.00 20.74 ? 153 ASN A C 1 ATOM 1097 O O . ASN A 1 153 ? 64.912 -9.626 5.401 1.00 25.12 ? 153 ASN A O 1 ATOM 1098 C CB . ASN A 1 153 ? 65.861 -10.300 2.802 1.00 26.31 ? 153 ASN A CB 1 ATOM 1099 C CG . ASN A 1 153 ? 65.966 -11.253 1.617 1.00 30.58 ? 153 ASN A CG 1 ATOM 1100 O OD1 . ASN A 1 153 ? 65.532 -12.412 1.677 1.00 38.64 ? 153 ASN A OD1 1 ATOM 1101 N ND2 . ASN A 1 153 ? 66.531 -10.761 0.528 1.00 28.36 ? 153 ASN A ND2 1 ATOM 1102 N N . GLY A 1 154 ? 63.311 -8.312 4.560 1.00 21.07 ? 154 GLY A N 1 ATOM 1103 C CA . GLY A 1 154 ? 62.967 -7.799 5.869 1.00 19.88 ? 154 GLY A CA 1 ATOM 1104 C C . GLY A 1 154 ? 63.809 -6.664 6.403 1.00 17.49 ? 154 GLY A C 1 ATOM 1105 O O . GLY A 1 154 ? 63.643 -6.331 7.584 1.00 17.18 ? 154 GLY A O 1 ATOM 1106 N N . GLY A 1 155 ? 64.665 -6.059 5.591 1.00 19.54 ? 155 GLY A N 1 ATOM 1107 C CA . GLY A 1 155 ? 65.412 -4.860 5.974 1.00 22.42 ? 155 GLY A CA 1 ATOM 1108 C C . GLY A 1 155 ? 64.485 -3.707 6.346 1.00 19.40 ? 155 GLY A C 1 ATOM 1109 O O . GLY A 1 155 ? 63.527 -3.439 5.616 1.00 20.34 ? 155 GLY A O 1 ATOM 1110 N N . HIS A 1 156 ? 64.732 -3.058 7.471 1.00 18.30 ? 156 HIS A N 1 ATOM 1111 C CA . HIS A 1 156 ? 63.898 -2.027 8.068 1.00 18.97 ? 156 HIS A CA 1 ATOM 1112 C C . HIS A 1 156 ? 64.727 -1.123 8.982 1.00 17.31 ? 156 HIS A C 1 ATOM 1113 O O . HIS A 1 156 ? 65.639 -1.569 9.681 1.00 12.73 ? 156 HIS A O 1 ATOM 1114 C CB . HIS A 1 156 ? 62.751 -2.665 8.858 1.00 23.54 ? 156 HIS A CB 1 ATOM 1115 C CG . HIS A 1 156 ? 61.658 -1.740 9.279 1.00 32.25 ? 156 HIS A CG 1 ATOM 1116 N ND1 . HIS A 1 156 ? 60.677 -1.239 8.433 1.00 35.26 ? 156 HIS A ND1 1 ATOM 1117 C CD2 . HIS A 1 156 ? 61.371 -1.212 10.498 1.00 37.48 ? 156 HIS A CD2 1 ATOM 1118 C CE1 . HIS A 1 156 ? 59.856 -0.446 9.098 1.00 37.27 ? 156 HIS A CE1 1 ATOM 1119 N NE2 . HIS A 1 156 ? 60.254 -0.417 10.357 1.00 37.36 ? 156 HIS A NE2 1 ATOM 1120 N N . ASN A 1 157 ? 64.453 0.180 8.974 1.00 13.35 ? 157 ASN A N 1 ATOM 1121 C CA . ASN A 1 157 ? 65.205 1.131 9.783 1.00 12.42 ? 157 ASN A CA 1 ATOM 1122 C C . ASN A 1 157 ? 66.695 1.083 9.475 1.00 12.04 ? 157 ASN A C 1 ATOM 1123 O O . ASN A 1 157 ? 67.525 1.205 10.372 1.00 14.30 ? 157 ASN A O 1 ATOM 1124 C CB . ASN A 1 157 ? 64.941 0.885 11.271 1.00 17.20 ? 157 ASN A CB 1 ATOM 1125 C CG . ASN A 1 157 ? 63.515 1.138 11.725 1.00 21.93 ? 157 ASN A CG 1 ATOM 1126 O OD1 . ASN A 1 157 ? 63.005 0.438 12.607 1.00 21.24 ? 157 ASN A OD1 1 ATOM 1127 N ND2 . ASN A 1 157 ? 62.822 2.122 11.167 1.00 23.84 ? 157 ASN A ND2 1 ATOM 1128 N N . THR A 1 158 ? 67.066 0.933 8.211 1.00 14.11 ? 158 THR A N 1 ATOM 1129 C CA . THR A 1 158 ? 68.464 0.898 7.804 1.00 13.93 ? 158 THR A CA 1 ATOM 1130 C C . THR A 1 158 ? 68.955 2.254 7.305 1.00 12.39 ? 158 THR A C 1 ATOM 1131 O O . THR A 1 158 ? 69.647 2.317 6.282 1.00 12.47 ? 158 THR A O 1 ATOM 1132 C CB . THR A 1 158 ? 68.652 -0.182 6.722 1.00 15.86 ? 158 THR A CB 1 ATOM 1133 O OG1 . THR A 1 158 ? 67.660 0.016 5.715 1.00 17.19 ? 158 THR A OG1 1 ATOM 1134 C CG2 . THR A 1 158 ? 68.456 -1.595 7.281 1.00 10.87 ? 158 THR A CG2 1 ATOM 1135 N N . ASP A 1 159 ? 68.613 3.310 8.028 1.00 12.28 ? 159 ASP A N 1 ATOM 1136 C CA . ASP A 1 159 ? 69.016 4.692 7.826 1.00 13.04 ? 159 ASP A CA 1 ATOM 1137 C C . ASP A 1 159 ? 70.486 4.799 7.411 1.00 11.24 ? 159 ASP A C 1 ATOM 1138 O O . ASP A 1 159 ? 71.280 4.193 8.123 1.00 13.31 ? 159 ASP A O 1 ATOM 1139 C CB . ASP A 1 159 ? 68.904 5.532 9.094 1.00 16.90 ? 159 ASP A CB 1 ATOM 1140 C CG . ASP A 1 159 ? 67.558 5.640 9.769 1.00 19.76 ? 159 ASP A CG 1 ATOM 1141 O OD1 . ASP A 1 159 ? 66.754 4.688 9.692 1.00 18.92 ? 159 ASP A OD1 1 ATOM 1142 O OD2 . ASP A 1 159 ? 67.303 6.692 10.406 1.00 16.15 ? 159 ASP A OD2 1 ATOM 1143 N N . ALA A 1 160 ? 70.854 5.542 6.376 1.00 7.65 ? 160 ALA A N 1 ATOM 1144 C CA . ALA A 1 160 ? 72.265 5.617 6.018 1.00 9.56 ? 160 ALA A CA 1 ATOM 1145 C C . ALA A 1 160 ? 73.018 6.548 6.973 1.00 11.85 ? 160 ALA A C 1 ATOM 1146 O O . ALA A 1 160 ? 74.020 6.157 7.563 1.00 12.93 ? 160 ALA A O 1 ATOM 1147 C CB . ALA A 1 160 ? 72.433 6.031 4.566 1.00 14.66 ? 160 ALA A CB 1 ATOM 1148 N N . PHE A 1 161 ? 72.564 7.783 7.137 1.00 11.49 ? 161 PHE A N 1 ATOM 1149 C CA . PHE A 1 161 ? 73.171 8.773 8.012 1.00 12.38 ? 161 PHE A CA 1 ATOM 1150 C C . PHE A 1 161 ? 72.177 9.414 8.969 1.00 13.34 ? 161 PHE A C 1 ATOM 1151 O O . PHE A 1 161 ? 71.304 10.176 8.545 1.00 13.73 ? 161 PHE A O 1 ATOM 1152 C CB . PHE A 1 161 ? 73.821 9.905 7.195 1.00 9.09 ? 161 PHE A CB 1 ATOM 1153 C CG . PHE A 1 161 ? 74.798 9.379 6.167 1.00 9.25 ? 161 PHE A CG 1 ATOM 1154 C CD1 . PHE A 1 161 ? 74.411 9.162 4.861 1.00 13.51 ? 161 PHE A CD1 1 ATOM 1155 C CD2 . PHE A 1 161 ? 76.092 9.088 6.548 1.00 13.27 ? 161 PHE A CD2 1 ATOM 1156 C CE1 . PHE A 1 161 ? 75.303 8.665 3.932 1.00 13.47 ? 161 PHE A CE1 1 ATOM 1157 C CE2 . PHE A 1 161 ? 76.998 8.597 5.624 1.00 15.85 ? 161 PHE A CE2 1 ATOM 1158 C CZ . PHE A 1 161 ? 76.610 8.385 4.320 1.00 12.43 ? 161 PHE A CZ 1 ATOM 1159 N N . ASP A 1 162 ? 72.304 9.124 10.239 1.00 10.46 ? 162 ASP A N 1 ATOM 1160 C CA . ASP A 1 162 ? 71.545 9.768 11.299 1.00 14.67 ? 162 ASP A CA 1 ATOM 1161 C C . ASP A 1 162 ? 72.423 10.799 12.001 1.00 14.69 ? 162 ASP A C 1 ATOM 1162 O O . ASP A 1 162 ? 73.426 10.412 12.614 1.00 15.57 ? 162 ASP A O 1 ATOM 1163 C CB . ASP A 1 162 ? 71.071 8.721 12.305 1.00 15.52 ? 162 ASP A CB 1 ATOM 1164 C CG . ASP A 1 162 ? 69.952 7.826 11.831 1.00 23.42 ? 162 ASP A CG 1 ATOM 1165 O OD1 . ASP A 1 162 ? 69.146 8.227 10.959 1.00 25.29 ? 162 ASP A OD1 1 ATOM 1166 O OD2 . ASP A 1 162 ? 69.875 6.681 12.341 1.00 27.47 ? 162 ASP A OD2 1 ATOM 1167 N N . ILE A 1 163 ? 72.090 12.076 11.906 1.00 11.55 ? 163 ILE A N 1 ATOM 1168 C CA . ILE A 1 163 ? 72.891 13.133 12.508 1.00 12.30 ? 163 ILE A CA 1 ATOM 1169 C C . ILE A 1 163 ? 72.178 13.877 13.629 1.00 16.14 ? 163 ILE A C 1 ATOM 1170 O O . ILE A 1 163 ? 71.021 14.284 13.549 1.00 12.01 ? 163 ILE A O 1 ATOM 1171 C CB . ILE A 1 163 ? 73.327 14.129 11.415 1.00 11.87 ? 163 ILE A CB 1 ATOM 1172 C CG1 . ILE A 1 163 ? 74.130 13.436 10.312 1.00 14.10 ? 163 ILE A CG1 1 ATOM 1173 C CG2 . ILE A 1 163 ? 74.088 15.310 12.010 1.00 15.99 ? 163 ILE A CG2 1 ATOM 1174 C CD1 . ILE A 1 163 ? 74.042 14.082 8.952 1.00 20.91 ? 163 ILE A CD1 1 ATOM 1175 N N . GLY A 1 164 ? 72.919 14.053 14.714 1.00 11.82 ? 164 GLY A N 1 ATOM 1176 C CA . GLY A 1 164 ? 72.556 14.806 15.880 1.00 10.50 ? 164 GLY A CA 1 ATOM 1177 C C . GLY A 1 164 ? 73.779 15.457 16.513 1.00 14.55 ? 164 GLY A C 1 ATOM 1178 O O . GLY A 1 164 ? 74.915 15.032 16.329 1.00 14.28 ? 164 GLY A O 1 ATOM 1179 N N . THR A 1 165 ? 73.575 16.515 17.239 1.00 11.58 ? 165 THR A N 1 ATOM 1180 C CA . THR A 1 165 ? 74.386 17.344 18.085 1.00 14.51 ? 165 THR A CA 1 ATOM 1181 C C . THR A 1 165 ? 75.765 17.466 17.446 1.00 13.57 ? 165 THR A C 1 ATOM 1182 O O . THR A 1 165 ? 76.786 17.195 18.052 1.00 17.09 ? 165 THR A O 1 ATOM 1183 C CB . THR A 1 165 ? 74.430 16.763 19.501 1.00 15.89 ? 165 THR A CB 1 ATOM 1184 O OG1 . THR A 1 165 ? 74.632 15.341 19.465 1.00 19.79 ? 165 THR A OG1 1 ATOM 1185 C CG2 . THR A 1 165 ? 73.076 16.853 20.221 1.00 18.61 ? 165 THR A CG2 1 ATOM 1186 N N . SER A 1 166 ? 75.755 17.898 16.190 1.00 13.29 ? 166 SER A N 1 ATOM 1187 C CA . SER A 1 166 ? 76.971 18.001 15.407 1.00 12.43 ? 166 SER A CA 1 ATOM 1188 C C . SER A 1 166 ? 76.976 19.294 14.616 1.00 11.29 ? 166 SER A C 1 ATOM 1189 O O . SER A 1 166 ? 75.882 19.790 14.338 1.00 13.58 ? 166 SER A O 1 ATOM 1190 C CB . SER A 1 166 ? 77.086 16.818 14.441 1.00 9.92 ? 166 SER A CB 1 ATOM 1191 O OG . SER A 1 166 ? 77.384 15.651 15.176 1.00 8.37 ? 166 SER A OG 1 ATOM 1192 N N . THR A 1 167 ? 78.143 19.816 14.268 1.00 7.62 ? 167 THR A N 1 ATOM 1193 C CA . THR A 1 167 ? 78.203 20.983 13.393 1.00 10.21 ? 167 THR A CA 1 ATOM 1194 C C . THR A 1 167 ? 79.233 20.813 12.290 1.00 13.53 ? 167 THR A C 1 ATOM 1195 O O . THR A 1 167 ? 80.159 20.006 12.455 1.00 14.91 ? 167 THR A O 1 ATOM 1196 C CB . THR A 1 167 ? 78.567 22.231 14.215 1.00 16.16 ? 167 THR A CB 1 ATOM 1197 O OG1 . THR A 1 167 ? 79.883 22.046 14.758 1.00 15.43 ? 167 THR A OG1 1 ATOM 1198 C CG2 . THR A 1 167 ? 77.608 22.412 15.369 1.00 18.13 ? 167 THR A CG2 1 ATOM 1199 N N . TYR A 1 168 ? 79.108 21.516 11.178 1.00 10.84 ? 168 TYR A N 1 ATOM 1200 C CA . TYR A 1 168 ? 80.067 21.438 10.077 1.00 12.21 ? 168 TYR A CA 1 ATOM 1201 C C . TYR A 1 168 ? 80.316 19.989 9.666 1.00 16.49 ? 168 TYR A C 1 ATOM 1202 O O . TYR A 1 168 ? 81.445 19.503 9.623 1.00 15.41 ? 168 TYR A O 1 ATOM 1203 C CB . TYR A 1 168 ? 81.392 22.134 10.421 1.00 10.41 ? 168 TYR A CB 1 ATOM 1204 C CG . TYR A 1 168 ? 81.173 23.621 10.635 1.00 16.87 ? 168 TYR A CG 1 ATOM 1205 C CD1 . TYR A 1 168 ? 81.031 24.136 11.920 1.00 14.04 ? 168 TYR A CD1 1 ATOM 1206 C CD2 . TYR A 1 168 ? 81.100 24.510 9.568 1.00 18.58 ? 168 TYR A CD2 1 ATOM 1207 C CE1 . TYR A 1 168 ? 80.835 25.492 12.115 1.00 17.01 ? 168 TYR A CE1 1 ATOM 1208 C CE2 . TYR A 1 168 ? 80.900 25.871 9.762 1.00 20.46 ? 168 TYR A CE2 1 ATOM 1209 C CZ . TYR A 1 168 ? 80.767 26.353 11.045 1.00 20.88 ? 168 TYR A CZ 1 ATOM 1210 O OH . TYR A 1 168 ? 80.563 27.703 11.252 1.00 23.25 ? 168 TYR A OH 1 ATOM 1211 N N . VAL A 1 169 ? 79.220 19.275 9.350 1.00 12.76 ? 169 VAL A N 1 ATOM 1212 C CA . VAL A 1 169 ? 79.441 17.955 8.776 1.00 12.88 ? 169 VAL A CA 1 ATOM 1213 C C . VAL A 1 169 ? 79.053 18.026 7.296 1.00 14.89 ? 169 VAL A C 1 ATOM 1214 O O . VAL A 1 169 ? 78.041 18.593 6.867 1.00 11.44 ? 169 VAL A O 1 ATOM 1215 C CB . VAL A 1 169 ? 78.840 16.721 9.520 1.00 17.58 ? 169 VAL A CB 1 ATOM 1216 C CG1 . VAL A 1 169 ? 77.965 17.050 10.711 1.00 18.63 ? 169 VAL A CG1 1 ATOM 1217 C CG2 . VAL A 1 169 ? 78.121 15.778 8.557 1.00 15.47 ? 169 VAL A CG2 1 ATOM 1218 N N . THR A 1 170 ? 79.962 17.474 6.490 1.00 9.02 ? 170 THR A N 1 ATOM 1219 C CA . THR A 1 170 ? 79.875 17.489 5.044 1.00 8.28 ? 170 THR A CA 1 ATOM 1220 C C . THR A 1 170 ? 79.785 16.046 4.579 1.00 13.15 ? 170 THR A C 1 ATOM 1221 O O . THR A 1 170 ? 80.608 15.239 5.026 1.00 13.43 ? 170 THR A O 1 ATOM 1222 C CB . THR A 1 170 ? 81.102 18.158 4.399 1.00 12.33 ? 170 THR A CB 1 ATOM 1223 O OG1 . THR A 1 170 ? 81.175 19.509 4.867 1.00 16.78 ? 170 THR A OG1 1 ATOM 1224 C CG2 . THR A 1 170 ? 81.010 18.255 2.878 1.00 12.22 ? 170 THR A CG2 1 ATOM 1225 N N . ILE A 1 171 ? 78.790 15.802 3.739 1.00 12.23 ? 171 ILE A N 1 ATOM 1226 C CA . ILE A 1 171 ? 78.633 14.487 3.140 1.00 12.12 ? 171 ILE A CA 1 ATOM 1227 C C . ILE A 1 171 ? 78.621 14.653 1.627 1.00 14.21 ? 171 ILE A C 1 ATOM 1228 O O . ILE A 1 171 ? 77.759 15.381 1.124 1.00 11.21 ? 171 ILE A O 1 ATOM 1229 C CB . ILE A 1 171 ? 77.372 13.790 3.647 1.00 9.67 ? 171 ILE A CB 1 ATOM 1230 C CG1 . ILE A 1 171 ? 77.231 13.811 5.167 1.00 15.21 ? 171 ILE A CG1 1 ATOM 1231 C CG2 . ILE A 1 171 ? 77.352 12.361 3.128 1.00 14.40 ? 171 ILE A CG2 1 ATOM 1232 C CD1 . ILE A 1 171 ? 76.015 13.088 5.714 1.00 19.66 ? 171 ILE A CD1 1 ATOM 1233 N N . SER A 1 172 ? 79.588 14.030 0.951 1.00 14.16 ? 172 SER A N 1 ATOM 1234 C CA . SER A 1 172 ? 79.654 14.123 -0.506 1.00 12.07 ? 172 SER A CA 1 ATOM 1235 C C . SER A 1 172 ? 79.900 12.770 -1.165 1.00 11.02 ? 172 SER A C 1 ATOM 1236 O O . SER A 1 172 ? 80.642 11.924 -0.651 1.00 10.15 ? 172 SER A O 1 ATOM 1237 C CB . SER A 1 172 ? 80.752 15.095 -0.956 1.00 13.84 ? 172 SER A CB 1 ATOM 1238 O OG . SER A 1 172 ? 81.995 14.596 -0.493 1.00 25.23 ? 172 SER A OG 1 ATOM 1239 N N . GLY A 1 173 ? 79.274 12.590 -2.321 1.00 10.88 ? 173 GLY A N 1 ATOM 1240 C CA . GLY A 1 173 ? 79.428 11.388 -3.106 1.00 10.91 ? 173 GLY A CA 1 ATOM 1241 C C . GLY A 1 173 ? 78.858 10.154 -2.440 1.00 15.31 ? 173 GLY A C 1 ATOM 1242 O O . GLY A 1 173 ? 79.307 9.052 -2.753 1.00 16.96 ? 173 GLY A O 1 ATOM 1243 N N . ALA A 1 174 ? 77.881 10.261 -1.537 1.00 14.97 ? 174 ALA A N 1 ATOM 1244 C CA . ALA A 1 174 ? 77.287 9.067 -0.943 1.00 12.02 ? 174 ALA A CA 1 ATOM 1245 C C . ALA A 1 174 ? 76.439 8.312 -1.962 1.00 12.48 ? 174 ALA A C 1 ATOM 1246 O O . ALA A 1 174 ? 75.734 8.929 -2.765 1.00 13.32 ? 174 ALA A O 1 ATOM 1247 C CB . ALA A 1 174 ? 76.419 9.413 0.247 1.00 8.88 ? 174 ALA A CB 1 ATOM 1248 N N . THR A 1 175 ? 76.545 6.996 -1.945 1.00 9.82 ? 175 THR A N 1 ATOM 1249 C CA . THR A 1 175 ? 75.708 6.106 -2.728 1.00 11.59 ? 175 THR A CA 1 ATOM 1250 C C . THR A 1 175 ? 75.012 5.165 -1.748 1.00 14.14 ? 175 THR A C 1 ATOM 1251 O O . THR A 1 175 ? 75.716 4.395 -1.108 1.00 9.30 ? 175 THR A O 1 ATOM 1252 C CB . THR A 1 175 ? 76.487 5.289 -3.768 1.00 12.50 ? 175 THR A CB 1 ATOM 1253 O OG1 . THR A 1 175 ? 77.083 6.196 -4.702 1.00 17.90 ? 175 THR A OG1 1 ATOM 1254 C CG2 . THR A 1 175 ? 75.546 4.383 -4.554 1.00 15.51 ? 175 THR A CG2 1 ATOM 1255 N N . VAL A 1 176 ? 73.692 5.262 -1.668 1.00 13.95 ? 176 VAL A N 1 ATOM 1256 C CA . VAL A 1 176 ? 72.921 4.527 -0.677 1.00 12.13 ? 176 VAL A CA 1 ATOM 1257 C C . VAL A 1 176 ? 71.788 3.709 -1.275 1.00 12.96 ? 176 VAL A C 1 ATOM 1258 O O . VAL A 1 176 ? 70.926 4.236 -1.975 1.00 9.97 ? 176 VAL A O 1 ATOM 1259 C CB . VAL A 1 176 ? 72.289 5.528 0.319 1.00 12.83 ? 176 VAL A CB 1 ATOM 1260 C CG1 . VAL A 1 176 ? 71.444 4.786 1.341 1.00 12.60 ? 176 VAL A CG1 1 ATOM 1261 C CG2 . VAL A 1 176 ? 73.369 6.359 0.965 1.00 11.73 ? 176 VAL A CG2 1 ATOM 1262 N N . TYR A 1 177 ? 71.775 2.421 -0.975 1.00 12.23 ? 177 TYR A N 1 ATOM 1263 C CA . TYR A 1 177 ? 70.622 1.573 -1.262 1.00 15.83 ? 177 TYR A CA 1 ATOM 1264 C C . TYR A 1 177 ? 70.107 1.040 0.072 1.00 14.45 ? 177 TYR A C 1 ATOM 1265 O O . TYR A 1 177 ? 70.807 0.274 0.736 1.00 9.13 ? 177 TYR A O 1 ATOM 1266 C CB . TYR A 1 177 ? 70.987 0.444 -2.198 1.00 19.46 ? 177 TYR A CB 1 ATOM 1267 C CG . TYR A 1 177 ? 71.573 0.808 -3.534 1.00 20.94 ? 177 TYR A CG 1 ATOM 1268 C CD1 . TYR A 1 177 ? 70.748 0.906 -4.648 1.00 22.67 ? 177 TYR A CD1 1 ATOM 1269 C CD2 . TYR A 1 177 ? 72.931 1.041 -3.696 1.00 18.57 ? 177 TYR A CD2 1 ATOM 1270 C CE1 . TYR A 1 177 ? 71.273 1.240 -5.883 1.00 24.07 ? 177 TYR A CE1 1 ATOM 1271 C CE2 . TYR A 1 177 ? 73.464 1.369 -4.924 1.00 19.77 ? 177 TYR A CE2 1 ATOM 1272 C CZ . TYR A 1 177 ? 72.624 1.467 -6.004 1.00 21.17 ? 177 TYR A CZ 1 ATOM 1273 O OH . TYR A 1 177 ? 73.145 1.790 -7.238 1.00 29.54 ? 177 TYR A OH 1 ATOM 1274 N N . ASN A 1 178 ? 68.930 1.491 0.502 1.00 8.51 ? 178 ASN A N 1 ATOM 1275 C CA . ASN A 1 178 ? 68.524 1.128 1.869 1.00 9.49 ? 178 ASN A CA 1 ATOM 1276 C C . ASN A 1 178 ? 67.003 1.138 1.980 1.00 11.57 ? 178 ASN A C 1 ATOM 1277 O O . ASN A 1 178 ? 66.366 1.162 0.929 1.00 15.31 ? 178 ASN A O 1 ATOM 1278 C CB . ASN A 1 178 ? 69.191 2.054 2.879 1.00 10.57 ? 178 ASN A CB 1 ATOM 1279 C CG . ASN A 1 178 ? 68.592 3.440 2.949 1.00 14.02 ? 178 ASN A CG 1 ATOM 1280 O OD1 . ASN A 1 178 ? 67.980 3.932 1.999 1.00 12.76 ? 178 ASN A OD1 1 ATOM 1281 N ND2 . ASN A 1 178 ? 68.762 4.111 4.082 1.00 12.63 ? 178 ASN A ND2 1 ATOM 1282 N N . GLN A 1 179 ? 66.452 1.107 3.185 1.00 12.62 ? 179 GLN A N 1 ATOM 1283 C CA . GLN A 1 179 ? 65.016 0.968 3.389 1.00 15.23 ? 179 GLN A CA 1 ATOM 1284 C C . GLN A 1 179 ? 64.489 1.992 4.383 1.00 12.06 ? 179 GLN A C 1 ATOM 1285 O O . GLN A 1 179 ? 63.402 1.834 4.934 1.00 16.33 ? 179 GLN A O 1 ATOM 1286 C CB . GLN A 1 179 ? 64.648 -0.425 3.922 1.00 12.64 ? 179 GLN A CB 1 ATOM 1287 C CG . GLN A 1 179 ? 64.974 -1.558 2.983 1.00 11.47 ? 179 GLN A CG 1 ATOM 1288 C CD . GLN A 1 179 ? 66.436 -1.956 2.965 1.00 13.16 ? 179 GLN A CD 1 ATOM 1289 O OE1 . GLN A 1 179 ? 67.124 -1.916 3.987 1.00 11.96 ? 179 GLN A OE1 1 ATOM 1290 N NE2 . GLN A 1 179 ? 66.913 -2.330 1.777 1.00 16.83 ? 179 GLN A NE2 1 ATOM 1291 N N . ASP A 1 180 ? 65.256 3.027 4.674 1.00 12.38 ? 180 ASP A N 1 ATOM 1292 C CA . ASP A 1 180 ? 64.797 4.101 5.549 1.00 8.27 ? 180 ASP A CA 1 ATOM 1293 C C . ASP A 1 180 ? 65.430 5.400 5.071 1.00 8.11 ? 180 ASP A C 1 ATOM 1294 O O . ASP A 1 180 ? 65.845 5.441 3.916 1.00 11.65 ? 180 ASP A O 1 ATOM 1295 C CB . ASP A 1 180 ? 65.118 3.866 7.015 1.00 15.04 ? 180 ASP A CB 1 ATOM 1296 C CG . ASP A 1 180 ? 64.126 4.498 7.978 1.00 16.83 ? 180 ASP A CG 1 ATOM 1297 O OD1 . ASP A 1 180 ? 63.505 3.717 8.729 1.00 16.41 ? 180 ASP A OD1 1 ATOM 1298 O OD2 . ASP A 1 180 ? 63.977 5.738 7.993 1.00 14.81 ? 180 ASP A OD2 1 ATOM 1299 N N . ASP A 1 181 ? 65.483 6.397 5.932 1.00 11.20 ? 181 ASP A N 1 ATOM 1300 C CA . ASP A 1 181 ? 66.017 7.691 5.514 1.00 11.31 ? 181 ASP A CA 1 ATOM 1301 C C . ASP A 1 181 ? 67.430 7.539 4.953 1.00 10.19 ? 181 ASP A C 1 ATOM 1302 O O . ASP A 1 181 ? 68.282 6.844 5.499 1.00 12.14 ? 181 ASP A O 1 ATOM 1303 C CB . ASP A 1 181 ? 66.045 8.686 6.664 1.00 13.77 ? 181 ASP A CB 1 ATOM 1304 C CG . ASP A 1 181 ? 64.714 9.293 7.059 1.00 13.37 ? 181 ASP A CG 1 ATOM 1305 O OD1 . ASP A 1 181 ? 64.454 9.455 8.267 1.00 11.85 ? 181 ASP A OD1 1 ATOM 1306 O OD2 . ASP A 1 181 ? 63.917 9.627 6.172 1.00 12.38 ? 181 ASP A OD2 1 ATOM 1307 N N . CYS A 1 182 ? 67.672 8.213 3.844 1.00 8.08 ? 182 CYS A N 1 ATOM 1308 C CA . CYS A 1 182 ? 69.027 8.344 3.327 1.00 8.99 ? 182 CYS A CA 1 ATOM 1309 C C . CYS A 1 182 ? 69.861 9.245 4.237 1.00 12.24 ? 182 CYS A C 1 ATOM 1310 O O . CYS A 1 182 ? 71.003 8.956 4.564 1.00 11.71 ? 182 CYS A O 1 ATOM 1311 C CB . CYS A 1 182 ? 68.952 8.955 1.945 1.00 10.08 ? 182 CYS A CB 1 ATOM 1312 S SG . CYS A 1 182 ? 70.434 8.776 0.961 1.00 11.86 ? 182 CYS A SG 1 ATOM 1313 N N . VAL A 1 183 ? 69.258 10.357 4.639 1.00 9.83 ? 183 VAL A N 1 ATOM 1314 C CA . VAL A 1 183 ? 69.790 11.214 5.677 1.00 8.47 ? 183 VAL A CA 1 ATOM 1315 C C . VAL A 1 183 ? 68.631 11.592 6.595 1.00 9.22 ? 183 VAL A C 1 ATOM 1316 O O . VAL A 1 183 ? 67.543 11.842 6.082 1.00 8.98 ? 183 VAL A O 1 ATOM 1317 C CB . VAL A 1 183 ? 70.430 12.508 5.146 1.00 11.71 ? 183 VAL A CB 1 ATOM 1318 C CG1 . VAL A 1 183 ? 70.807 13.417 6.311 1.00 11.23 ? 183 VAL A CG1 1 ATOM 1319 C CG2 . VAL A 1 183 ? 71.633 12.214 4.267 1.00 12.87 ? 183 VAL A CG2 1 ATOM 1320 N N . ALA A 1 184 ? 68.884 11.607 7.888 1.00 11.06 ? 184 ALA A N 1 ATOM 1321 C CA . ALA A 1 184 ? 67.975 12.194 8.867 1.00 13.89 ? 184 ALA A CA 1 ATOM 1322 C C . ALA A 1 184 ? 68.755 13.168 9.747 1.00 15.71 ? 184 ALA A C 1 ATOM 1323 O O . ALA A 1 184 ? 69.617 12.748 10.515 1.00 15.53 ? 184 ALA A O 1 ATOM 1324 C CB . ALA A 1 184 ? 67.289 11.127 9.713 1.00 12.08 ? 184 ALA A CB 1 ATOM 1325 N N . VAL A 1 185 ? 68.485 14.461 9.651 1.00 15.16 ? 185 VAL A N 1 ATOM 1326 C CA . VAL A 1 185 ? 69.086 15.410 10.596 1.00 15.36 ? 185 VAL A CA 1 ATOM 1327 C C . VAL A 1 185 ? 68.135 15.676 11.759 1.00 14.84 ? 185 VAL A C 1 ATOM 1328 O O . VAL A 1 185 ? 67.103 16.346 11.610 1.00 16.35 ? 185 VAL A O 1 ATOM 1329 C CB . VAL A 1 185 ? 69.442 16.722 9.873 1.00 11.37 ? 185 VAL A CB 1 ATOM 1330 C CG1 . VAL A 1 185 ? 70.315 17.596 10.749 1.00 14.44 ? 185 VAL A CG1 1 ATOM 1331 C CG2 . VAL A 1 185 ? 70.103 16.417 8.538 1.00 14.94 ? 185 VAL A CG2 1 ATOM 1332 N N . ASN A 1 186 ? 68.446 15.149 12.934 1.00 13.18 ? 186 ASN A N 1 ATOM 1333 C CA . ASN A 1 186 ? 67.589 15.272 14.100 1.00 14.55 ? 186 ASN A CA 1 ATOM 1334 C C . ASN A 1 186 ? 67.870 16.588 14.815 1.00 15.85 ? 186 ASN A C 1 ATOM 1335 O O . ASN A 1 186 ? 67.014 17.200 15.448 1.00 17.69 ? 186 ASN A O 1 ATOM 1336 C CB . ASN A 1 186 ? 67.813 14.091 15.043 1.00 22.96 ? 186 ASN A CB 1 ATOM 1337 C CG . ASN A 1 186 ? 67.342 12.790 14.405 1.00 28.97 ? 186 ASN A CG 1 ATOM 1338 O OD1 . ASN A 1 186 ? 66.151 12.554 14.200 1.00 29.61 ? 186 ASN A OD1 1 ATOM 1339 N ND2 . ASN A 1 186 ? 68.302 11.936 14.086 1.00 33.90 ? 186 ASN A ND2 1 ATOM 1340 N N . SER A 1 187 ? 69.110 17.035 14.687 1.00 11.20 ? 187 SER A N 1 ATOM 1341 C CA . SER A 1 187 ? 69.548 18.332 15.178 1.00 10.92 ? 187 SER A CA 1 ATOM 1342 C C . SER A 1 187 ? 70.974 18.583 14.697 1.00 12.04 ? 187 SER A C 1 ATOM 1343 O O . SER A 1 187 ? 71.716 17.638 14.431 1.00 14.15 ? 187 SER A O 1 ATOM 1344 C CB . SER A 1 187 ? 69.516 18.418 16.710 1.00 14.44 ? 187 SER A CB 1 ATOM 1345 O OG . SER A 1 187 ? 70.126 17.271 17.281 1.00 15.28 ? 187 SER A OG 1 ATOM 1346 N N . GLY A 1 188 ? 71.379 19.839 14.608 1.00 14.76 ? 188 GLY A N 1 ATOM 1347 C CA . GLY A 1 188 ? 72.738 20.092 14.133 1.00 14.67 ? 188 GLY A CA 1 ATOM 1348 C C . GLY A 1 188 ? 72.779 21.370 13.329 1.00 14.15 ? 188 GLY A C 1 ATOM 1349 O O . GLY A 1 188 ? 71.727 21.906 12.950 1.00 13.63 ? 188 GLY A O 1 ATOM 1350 N N . GLU A 1 189 ? 73.988 21.881 13.086 1.00 11.46 ? 189 GLU A N 1 ATOM 1351 C CA . GLU A 1 189 ? 74.103 23.126 12.327 1.00 9.42 ? 189 GLU A CA 1 ATOM 1352 C C . GLU A 1 189 ? 75.197 22.999 11.276 1.00 11.83 ? 189 GLU A C 1 ATOM 1353 O O . GLU A 1 189 ? 76.201 22.327 11.511 1.00 15.47 ? 189 GLU A O 1 ATOM 1354 C CB . GLU A 1 189 ? 74.413 24.318 13.235 1.00 11.81 ? 189 GLU A CB 1 ATOM 1355 C CG . GLU A 1 189 ? 73.491 24.455 14.430 1.00 15.25 ? 189 GLU A CG 1 ATOM 1356 C CD . GLU A 1 189 ? 73.574 25.782 15.152 1.00 25.58 ? 189 GLU A CD 1 ATOM 1357 O OE1 . GLU A 1 189 ? 73.093 25.831 16.311 1.00 32.32 ? 189 GLU A OE1 1 ATOM 1358 O OE2 . GLU A 1 189 ? 74.096 26.765 14.594 1.00 27.55 ? 189 GLU A OE2 1 ATOM 1359 N N . ASN A 1 190 ? 75.000 23.688 10.158 1.00 9.59 ? 190 ASN A N 1 ATOM 1360 C CA . ASN A 1 190 ? 76.004 23.787 9.107 1.00 11.43 ? 190 ASN A CA 1 ATOM 1361 C C . ASN A 1 190 ? 76.284 22.399 8.550 1.00 12.80 ? 190 ASN A C 1 ATOM 1362 O O . ASN A 1 190 ? 77.379 21.873 8.705 1.00 14.43 ? 190 ASN A O 1 ATOM 1363 C CB . ASN A 1 190 ? 77.260 24.450 9.685 1.00 13.89 ? 190 ASN A CB 1 ATOM 1364 C CG . ASN A 1 190 ? 76.897 25.694 10.491 1.00 11.63 ? 190 ASN A CG 1 ATOM 1365 O OD1 . ASN A 1 190 ? 76.209 26.578 9.994 1.00 11.07 ? 190 ASN A OD1 1 ATOM 1366 N ND2 . ASN A 1 190 ? 77.346 25.725 11.739 1.00 14.67 ? 190 ASN A ND2 1 ATOM 1367 N N . ILE A 1 191 ? 75.254 21.795 7.946 1.00 16.13 ? 191 ILE A N 1 ATOM 1368 C CA . ILE A 1 191 ? 75.308 20.448 7.384 1.00 11.86 ? 191 ILE A CA 1 ATOM 1369 C C . ILE A 1 191 ? 75.204 20.559 5.865 1.00 13.88 ? 191 ILE A C 1 ATOM 1370 O O . ILE A 1 191 ? 74.339 21.259 5.335 1.00 12.51 ? 191 ILE A O 1 ATOM 1371 C CB . ILE A 1 191 ? 74.169 19.537 7.866 1.00 15.09 ? 191 ILE A CB 1 ATOM 1372 C CG1 . ILE A 1 191 ? 73.882 19.549 9.366 1.00 21.31 ? 191 ILE A CG1 1 ATOM 1373 C CG2 . ILE A 1 191 ? 74.362 18.092 7.393 1.00 14.40 ? 191 ILE A CG2 1 ATOM 1374 C CD1 . ILE A 1 191 ? 74.979 19.307 10.338 1.00 25.39 ? 191 ILE A CD1 1 ATOM 1375 N N . TYR A 1 192 ? 76.081 19.865 5.157 1.00 14.30 ? 192 TYR A N 1 ATOM 1376 C CA . TYR A 1 192 ? 76.137 19.966 3.703 1.00 13.36 ? 192 TYR A CA 1 ATOM 1377 C C . TYR A 1 192 ? 76.147 18.569 3.090 1.00 13.64 ? 192 TYR A C 1 ATOM 1378 O O . TYR A 1 192 ? 76.969 17.724 3.434 1.00 13.93 ? 192 TYR A O 1 ATOM 1379 C CB . TYR A 1 192 ? 77.366 20.775 3.304 1.00 15.28 ? 192 TYR A CB 1 ATOM 1380 C CG . TYR A 1 192 ? 77.359 21.304 1.895 1.00 13.44 ? 192 TYR A CG 1 ATOM 1381 C CD1 . TYR A 1 192 ? 76.690 22.480 1.607 1.00 15.58 ? 192 TYR A CD1 1 ATOM 1382 C CD2 . TYR A 1 192 ? 78.016 20.629 0.872 1.00 14.92 ? 192 TYR A CD2 1 ATOM 1383 C CE1 . TYR A 1 192 ? 76.684 22.977 0.319 1.00 18.28 ? 192 TYR A CE1 1 ATOM 1384 C CE2 . TYR A 1 192 ? 78.013 21.118 -0.419 1.00 17.48 ? 192 TYR A CE2 1 ATOM 1385 C CZ . TYR A 1 192 ? 77.342 22.295 -0.680 1.00 20.54 ? 192 TYR A CZ 1 ATOM 1386 O OH . TYR A 1 192 ? 77.313 22.809 -1.958 1.00 29.68 ? 192 TYR A OH 1 ATOM 1387 N N . PHE A 1 193 ? 75.213 18.300 2.189 1.00 8.76 ? 193 PHE A N 1 ATOM 1388 C CA . PHE A 1 193 ? 75.101 16.993 1.550 1.00 13.76 ? 193 PHE A CA 1 ATOM 1389 C C . PHE A 1 193 ? 75.172 17.221 0.051 1.00 14.58 ? 193 PHE A C 1 ATOM 1390 O O . PHE A 1 193 ? 74.299 17.953 -0.432 1.00 14.24 ? 193 PHE A O 1 ATOM 1391 C CB . PHE A 1 193 ? 73.795 16.315 1.963 1.00 12.62 ? 193 PHE A CB 1 ATOM 1392 C CG . PHE A 1 193 ? 73.529 14.959 1.345 1.00 11.76 ? 193 PHE A CG 1 ATOM 1393 C CD1 . PHE A 1 193 ? 73.920 13.797 1.987 1.00 13.71 ? 193 PHE A CD1 1 ATOM 1394 C CD2 . PHE A 1 193 ? 72.892 14.853 0.121 1.00 11.94 ? 193 PHE A CD2 1 ATOM 1395 C CE1 . PHE A 1 193 ? 73.681 12.562 1.421 1.00 14.81 ? 193 PHE A CE1 1 ATOM 1396 C CE2 . PHE A 1 193 ? 72.653 13.625 -0.450 1.00 16.10 ? 193 PHE A CE2 1 ATOM 1397 C CZ . PHE A 1 193 ? 73.046 12.468 0.196 1.00 15.76 ? 193 PHE A CZ 1 ATOM 1398 N N . SER A 1 194 ? 76.146 16.674 -0.677 1.00 9.52 ? 194 SER A N 1 ATOM 1399 C CA . SER A 1 194 ? 76.147 16.936 -2.116 1.00 9.58 ? 194 SER A CA 1 ATOM 1400 C C . SER A 1 194 ? 76.570 15.698 -2.905 1.00 8.31 ? 194 SER A C 1 ATOM 1401 O O . SER A 1 194 ? 77.268 14.840 -2.375 1.00 8.62 ? 194 SER A O 1 ATOM 1402 C CB . SER A 1 194 ? 77.052 18.109 -2.496 1.00 12.21 ? 194 SER A CB 1 ATOM 1403 O OG . SER A 1 194 ? 78.399 17.832 -2.185 1.00 19.20 ? 194 SER A OG 1 ATOM 1404 N N . GLY A 1 195 ? 76.144 15.619 -4.162 1.00 10.93 ? 195 GLY A N 1 ATOM 1405 C CA . GLY A 1 195 ? 76.552 14.564 -5.069 1.00 10.05 ? 195 GLY A CA 1 ATOM 1406 C C . GLY A 1 195 ? 76.124 13.180 -4.637 1.00 12.25 ? 195 GLY A C 1 ATOM 1407 O O . GLY A 1 195 ? 76.774 12.176 -4.924 1.00 19.16 ? 195 GLY A O 1 ATOM 1408 N N . GLY A 1 196 ? 75.031 13.032 -3.921 1.00 12.19 ? 196 GLY A N 1 ATOM 1409 C CA . GLY A 1 196 ? 74.441 11.874 -3.360 1.00 9.10 ? 196 GLY A CA 1 ATOM 1410 C C . GLY A 1 196 ? 73.438 11.195 -4.275 1.00 11.04 ? 196 GLY A C 1 ATOM 1411 O O . GLY A 1 196 ? 72.765 11.806 -5.103 1.00 10.81 ? 196 GLY A O 1 ATOM 1412 N N . TYR A 1 197 ? 73.348 9.879 -4.095 1.00 10.81 ? 197 TYR A N 1 ATOM 1413 C CA . TYR A 1 197 ? 72.389 9.046 -4.821 1.00 13.04 ? 197 TYR A CA 1 ATOM 1414 C C . TYR A 1 197 ? 71.662 8.163 -3.821 1.00 10.84 ? 197 TYR A C 1 ATOM 1415 O O . TYR A 1 197 ? 72.245 7.255 -3.220 1.00 11.24 ? 197 TYR A O 1 ATOM 1416 C CB . TYR A 1 197 ? 73.130 8.235 -5.876 1.00 18.58 ? 197 TYR A CB 1 ATOM 1417 C CG . TYR A 1 197 ? 72.263 7.384 -6.768 1.00 24.04 ? 197 TYR A CG 1 ATOM 1418 C CD1 . TYR A 1 197 ? 71.875 6.103 -6.384 1.00 22.76 ? 197 TYR A CD1 1 ATOM 1419 C CD2 . TYR A 1 197 ? 71.832 7.865 -7.998 1.00 23.73 ? 197 TYR A CD2 1 ATOM 1420 C CE1 . TYR A 1 197 ? 71.080 5.330 -7.205 1.00 22.89 ? 197 TYR A CE1 1 ATOM 1421 C CE2 . TYR A 1 197 ? 71.040 7.093 -8.826 1.00 22.68 ? 197 TYR A CE2 1 ATOM 1422 C CZ . TYR A 1 197 ? 70.670 5.829 -8.421 1.00 21.16 ? 197 TYR A CZ 1 ATOM 1423 O OH . TYR A 1 197 ? 69.879 5.059 -9.245 1.00 31.51 ? 197 TYR A OH 1 ATOM 1424 N N . CYS A 1 198 ? 70.393 8.436 -3.603 1.00 9.64 ? 198 CYS A N 1 ATOM 1425 C CA . CYS A 1 198 ? 69.628 7.739 -2.579 1.00 12.46 ? 198 CYS A CA 1 ATOM 1426 C C . CYS A 1 198 ? 68.572 6.862 -3.223 1.00 12.25 ? 198 CYS A C 1 ATOM 1427 O O . CYS A 1 198 ? 67.655 7.392 -3.846 1.00 17.05 ? 198 CYS A O 1 ATOM 1428 C CB . CYS A 1 198 ? 68.930 8.736 -1.654 1.00 9.21 ? 198 CYS A CB 1 ATOM 1429 S SG . CYS A 1 198 ? 70.053 9.796 -0.725 1.00 11.91 ? 198 CYS A SG 1 ATOM 1430 N N . SER A 1 199 ? 68.697 5.559 -3.051 1.00 12.36 ? 199 SER A N 1 ATOM 1431 C CA . SER A 1 199 ? 67.762 4.654 -3.703 1.00 11.30 ? 199 SER A CA 1 ATOM 1432 C C . SER A 1 199 ? 67.091 3.797 -2.643 1.00 15.84 ? 199 SER A C 1 ATOM 1433 O O . SER A 1 199 ? 67.791 3.350 -1.729 1.00 13.68 ? 199 SER A O 1 ATOM 1434 C CB . SER A 1 199 ? 68.504 3.806 -4.740 1.00 16.11 ? 199 SER A CB 1 ATOM 1435 O OG . SER A 1 199 ? 67.625 2.923 -5.415 1.00 18.64 ? 199 SER A OG 1 ATOM 1436 N N . GLY A 1 200 ? 65.790 3.600 -2.798 1.00 14.40 ? 200 GLY A N 1 ATOM 1437 C CA . GLY A 1 200 ? 65.030 2.646 -2.039 1.00 10.94 ? 200 GLY A CA 1 ATOM 1438 C C . GLY A 1 200 ? 64.539 3.014 -0.669 1.00 12.16 ? 200 GLY A C 1 ATOM 1439 O O . GLY A 1 200 ? 63.730 2.275 -0.095 1.00 13.87 ? 200 GLY A O 1 ATOM 1440 N N . GLY A 1 201 ? 65.000 4.121 -0.092 1.00 12.44 ? 201 GLY A N 1 ATOM 1441 C CA . GLY A 1 201 ? 64.661 4.464 1.270 1.00 12.14 ? 201 GLY A CA 1 ATOM 1442 C C . GLY A 1 201 ? 63.531 5.477 1.344 1.00 15.21 ? 201 GLY A C 1 ATOM 1443 O O . GLY A 1 201 ? 62.595 5.496 0.545 1.00 13.30 ? 201 GLY A O 1 ATOM 1444 N N . HIS A 1 202 ? 63.615 6.338 2.350 1.00 11.70 ? 202 HIS A N 1 ATOM 1445 C CA . HIS A 1 202 ? 62.532 7.272 2.645 1.00 12.72 ? 202 HIS A CA 1 ATOM 1446 C C . HIS A 1 202 ? 62.903 8.729 2.398 1.00 12.34 ? 202 HIS A C 1 ATOM 1447 O O . HIS A 1 202 ? 62.175 9.582 2.894 1.00 15.16 ? 202 HIS A O 1 ATOM 1448 C CB . HIS A 1 202 ? 62.087 7.096 4.103 1.00 11.95 ? 202 HIS A CB 1 ATOM 1449 C CG . HIS A 1 202 ? 61.497 5.754 4.395 1.00 10.42 ? 202 HIS A CG 1 ATOM 1450 N ND1 . HIS A 1 202 ? 61.006 5.426 5.638 1.00 19.42 ? 202 HIS A ND1 1 ATOM 1451 C CD2 . HIS A 1 202 ? 61.302 4.660 3.634 1.00 15.47 ? 202 HIS A CD2 1 ATOM 1452 C CE1 . HIS A 1 202 ? 60.544 4.187 5.624 1.00 18.64 ? 202 HIS A CE1 1 ATOM 1453 N NE2 . HIS A 1 202 ? 60.711 3.696 4.413 1.00 15.86 ? 202 HIS A NE2 1 ATOM 1454 N N . GLY A 1 203 ? 63.975 9.020 1.666 1.00 12.93 ? 203 GLY A N 1 ATOM 1455 C CA . GLY A 1 203 ? 64.292 10.366 1.224 1.00 10.65 ? 203 GLY A CA 1 ATOM 1456 C C . GLY A 1 203 ? 65.393 11.057 2.006 1.00 11.16 ? 203 GLY A C 1 ATOM 1457 O O . GLY A 1 203 ? 66.085 10.426 2.810 1.00 9.58 ? 203 GLY A O 1 ATOM 1458 N N . LEU A 1 204 ? 65.530 12.353 1.738 1.00 12.52 ? 204 LEU A N 1 ATOM 1459 C CA . LEU A 1 204 ? 66.460 13.249 2.414 1.00 10.20 ? 204 LEU A CA 1 ATOM 1460 C C . LEU A 1 204 ? 65.718 14.080 3.447 1.00 10.77 ? 204 LEU A C 1 ATOM 1461 O O . LEU A 1 204 ? 65.014 15.011 3.067 1.00 11.94 ? 204 LEU A O 1 ATOM 1462 C CB . LEU A 1 204 ? 67.151 14.158 1.385 1.00 7.52 ? 204 LEU A CB 1 ATOM 1463 C CG . LEU A 1 204 ? 68.168 13.424 0.497 1.00 11.99 ? 204 LEU A CG 1 ATOM 1464 C CD1 . LEU A 1 204 ? 68.623 14.283 -0.670 1.00 19.88 ? 204 LEU A CD1 1 ATOM 1465 C CD2 . LEU A 1 204 ? 69.374 12.967 1.308 1.00 9.26 ? 204 LEU A CD2 1 ATOM 1466 N N . SER A 1 205 ? 65.829 13.755 4.728 1.00 12.46 ? 205 SER A N 1 ATOM 1467 C CA . SER A 1 205 ? 64.931 14.241 5.749 1.00 11.47 ? 205 SER A CA 1 ATOM 1468 C C . SER A 1 205 ? 65.580 15.136 6.803 1.00 14.40 ? 205 SER A C 1 ATOM 1469 O O . SER A 1 205 ? 66.644 14.843 7.326 1.00 9.70 ? 205 SER A O 1 ATOM 1470 C CB . SER A 1 205 ? 64.291 13.060 6.503 1.00 10.77 ? 205 SER A CB 1 ATOM 1471 O OG . SER A 1 205 ? 63.552 12.235 5.628 1.00 12.48 ? 205 SER A OG 1 ATOM 1472 N N . ILE A 1 206 ? 64.871 16.213 7.114 1.00 11.85 ? 206 ILE A N 1 ATOM 1473 C CA . ILE A 1 206 ? 65.072 16.974 8.333 1.00 15.43 ? 206 ILE A CA 1 ATOM 1474 C C . ILE A 1 206 ? 64.151 16.380 9.388 1.00 15.12 ? 206 ILE A C 1 ATOM 1475 O O . ILE A 1 206 ? 62.939 16.424 9.154 1.00 12.98 ? 206 ILE A O 1 ATOM 1476 C CB . ILE A 1 206 ? 64.690 18.447 8.165 1.00 13.17 ? 206 ILE A CB 1 ATOM 1477 C CG1 . ILE A 1 206 ? 65.348 19.079 6.926 1.00 13.37 ? 206 ILE A CG1 1 ATOM 1478 C CG2 . ILE A 1 206 ? 64.983 19.245 9.426 1.00 14.14 ? 206 ILE A CG2 1 ATOM 1479 C CD1 . ILE A 1 206 ? 66.850 18.925 6.994 1.00 15.21 ? 206 ILE A CD1 1 ATOM 1480 N N . GLY A 1 207 ? 64.668 15.847 10.490 1.00 12.57 ? 207 GLY A N 1 ATOM 1481 C CA . GLY A 1 207 ? 63.713 15.330 11.431 1.00 15.69 ? 207 GLY A CA 1 ATOM 1482 C C . GLY A 1 207 ? 63.949 13.871 11.772 1.00 18.09 ? 207 GLY A C 1 ATOM 1483 O O . GLY A 1 207 ? 64.759 13.260 11.079 1.00 22.29 ? 207 GLY A O 1 ATOM 1484 N N . SER A 1 208 ? 63.260 13.400 12.805 1.00 13.95 ? 208 SER A N 1 ATOM 1485 C CA . SER A 1 208 ? 62.270 14.213 13.493 1.00 18.02 ? 208 SER A CA 1 ATOM 1486 C C . SER A 1 208 ? 62.837 15.138 14.559 1.00 16.91 ? 208 SER A C 1 ATOM 1487 O O . SER A 1 208 ? 63.713 14.839 15.362 1.00 19.90 ? 208 SER A O 1 ATOM 1488 C CB . SER A 1 208 ? 61.225 13.268 14.114 1.00 20.32 ? 208 SER A CB 1 ATOM 1489 O OG . SER A 1 208 ? 61.878 12.536 15.139 1.00 20.76 ? 208 SER A OG 1 ATOM 1490 N N . VAL A 1 209 ? 62.322 16.366 14.519 1.00 12.28 ? 209 VAL A N 1 ATOM 1491 C CA . VAL A 1 209 ? 62.833 17.432 15.386 1.00 13.23 ? 209 VAL A CA 1 ATOM 1492 C C . VAL A 1 209 ? 61.887 17.609 16.567 1.00 15.30 ? 209 VAL A C 1 ATOM 1493 O O . VAL A 1 209 ? 60.677 17.697 16.335 1.00 12.11 ? 209 VAL A O 1 ATOM 1494 C CB . VAL A 1 209 ? 62.947 18.760 14.620 1.00 12.94 ? 209 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 209 ? 63.539 19.855 15.501 1.00 14.47 ? 209 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 209 ? 63.819 18.586 13.374 1.00 11.07 ? 209 VAL A CG2 1 ATOM 1497 N N . GLY A 1 210 ? 62.431 17.645 17.775 1.00 14.40 ? 210 GLY A N 1 ATOM 1498 C CA . GLY A 1 210 ? 61.673 17.964 18.974 1.00 12.55 ? 210 GLY A CA 1 ATOM 1499 C C . GLY A 1 210 ? 61.580 16.835 19.976 1.00 10.82 ? 210 GLY A C 1 ATOM 1500 O O . GLY A 1 210 ? 61.651 15.675 19.579 1.00 12.32 ? 210 GLY A O 1 ATOM 1501 N N . GLY A 1 211 ? 61.419 17.163 21.249 1.00 10.76 ? 211 GLY A N 1 ATOM 1502 C CA . GLY A 1 211 ? 61.244 16.211 22.316 1.00 14.35 ? 211 GLY A CA 1 ATOM 1503 C C . GLY A 1 211 ? 62.520 15.729 22.967 1.00 19.18 ? 211 GLY A C 1 ATOM 1504 O O . GLY A 1 211 ? 62.503 14.760 23.736 1.00 21.85 ? 211 GLY A O 1 ATOM 1505 N N . ARG A 1 212 ? 63.633 16.360 22.637 1.00 19.57 ? 212 ARG A N 1 ATOM 1506 C CA . ARG A 1 212 ? 64.933 16.097 23.220 1.00 24.19 ? 212 ARG A CA 1 ATOM 1507 C C . ARG A 1 212 ? 65.546 17.457 23.577 1.00 18.99 ? 212 ARG A C 1 ATOM 1508 O O . ARG A 1 212 ? 65.043 18.454 23.075 1.00 14.51 ? 212 ARG A O 1 ATOM 1509 C CB . ARG A 1 212 ? 65.892 15.412 22.277 1.00 28.46 ? 212 ARG A CB 1 ATOM 1510 C CG . ARG A 1 212 ? 65.392 14.484 21.167 1.00 34.15 ? 212 ARG A CG 1 ATOM 1511 C CD . ARG A 1 212 ? 66.463 14.386 20.083 1.00 36.13 ? 212 ARG A CD 1 ATOM 1512 N NE . ARG A 1 212 ? 66.080 13.599 18.917 1.00 45.39 ? 212 ARG A NE 1 ATOM 1513 C CZ . ARG A 1 212 ? 65.147 13.755 17.993 1.00 49.84 ? 212 ARG A CZ 1 ATOM 1514 N NH1 . ARG A 1 212 ? 64.309 14.777 18.004 1.00 42.95 ? 212 ARG A NH1 1 ATOM 1515 N NH2 . ARG A 1 212 ? 65.021 12.838 17.019 1.00 50.82 ? 212 ARG A NH2 1 ATOM 1516 N N . SER A 1 213 ? 66.605 17.509 24.374 1.00 21.76 ? 213 SER A N 1 ATOM 1517 C CA . SER A 1 213 ? 67.200 18.818 24.684 1.00 24.03 ? 213 SER A CA 1 ATOM 1518 C C . SER A 1 213 ? 67.882 19.421 23.460 1.00 19.31 ? 213 SER A C 1 ATOM 1519 O O . SER A 1 213 ? 68.098 20.624 23.397 1.00 19.91 ? 213 SER A O 1 ATOM 1520 C CB . SER A 1 213 ? 68.206 18.734 25.832 1.00 18.15 ? 213 SER A CB 1 ATOM 1521 O OG . SER A 1 213 ? 69.302 17.920 25.464 1.00 23.28 ? 213 SER A OG 1 ATOM 1522 N N . ASP A 1 214 ? 68.219 18.590 22.478 1.00 22.07 ? 214 ASP A N 1 ATOM 1523 C CA . ASP A 1 214 ? 68.793 19.029 21.212 1.00 19.27 ? 214 ASP A CA 1 ATOM 1524 C C . ASP A 1 214 ? 67.698 19.170 20.164 1.00 13.36 ? 214 ASP A C 1 ATOM 1525 O O . ASP A 1 214 ? 67.357 18.179 19.523 1.00 10.30 ? 214 ASP A O 1 ATOM 1526 C CB . ASP A 1 214 ? 69.867 18.037 20.777 1.00 23.13 ? 214 ASP A CB 1 ATOM 1527 C CG . ASP A 1 214 ? 69.437 16.588 20.654 1.00 28.06 ? 214 ASP A CG 1 ATOM 1528 O OD1 . ASP A 1 214 ? 69.102 15.881 21.646 1.00 30.55 ? 214 ASP A OD1 1 ATOM 1529 O OD2 . ASP A 1 214 ? 69.441 16.085 19.501 1.00 24.05 ? 214 ASP A OD2 1 ATOM 1530 N N . ASN A 1 215 ? 67.132 20.360 19.970 1.00 12.56 ? 215 ASN A N 1 ATOM 1531 C CA . ASN A 1 215 ? 65.977 20.411 19.068 1.00 18.60 ? 215 ASN A CA 1 ATOM 1532 C C . ASN A 1 215 ? 66.075 21.556 18.073 1.00 13.65 ? 215 ASN A C 1 ATOM 1533 O O . ASN A 1 215 ? 65.080 22.079 17.581 1.00 14.79 ? 215 ASN A O 1 ATOM 1534 C CB . ASN A 1 215 ? 64.676 20.456 19.884 1.00 21.28 ? 215 ASN A CB 1 ATOM 1535 C CG . ASN A 1 215 ? 64.760 21.410 21.051 1.00 26.01 ? 215 ASN A CG 1 ATOM 1536 O OD1 . ASN A 1 215 ? 64.807 22.630 20.880 1.00 25.65 ? 215 ASN A OD1 1 ATOM 1537 N ND2 . ASN A 1 215 ? 64.796 20.885 22.268 1.00 31.06 ? 215 ASN A ND2 1 ATOM 1538 N N . THR A 1 216 ? 67.298 21.939 17.744 1.00 14.50 ? 216 THR A N 1 ATOM 1539 C CA . THR A 1 216 ? 67.544 22.983 16.773 1.00 12.90 ? 216 THR A CA 1 ATOM 1540 C C . THR A 1 216 ? 68.207 22.405 15.525 1.00 16.05 ? 216 THR A C 1 ATOM 1541 O O . THR A 1 216 ? 69.202 21.702 15.642 1.00 9.76 ? 216 THR A O 1 ATOM 1542 C CB . THR A 1 216 ? 68.455 24.086 17.352 1.00 16.04 ? 216 THR A CB 1 ATOM 1543 O OG1 . THR A 1 216 ? 67.795 24.683 18.476 1.00 21.72 ? 216 THR A OG1 1 ATOM 1544 C CG2 . THR A 1 216 ? 68.684 25.179 16.328 1.00 20.36 ? 216 THR A CG2 1 ATOM 1545 N N . VAL A 1 217 ? 67.654 22.714 14.362 1.00 13.81 ? 217 VAL A N 1 ATOM 1546 C CA . VAL A 1 217 ? 68.249 22.452 13.069 1.00 11.67 ? 217 VAL A CA 1 ATOM 1547 C C . VAL A 1 217 ? 68.413 23.775 12.321 1.00 15.51 ? 217 VAL A C 1 ATOM 1548 O O . VAL A 1 217 ? 67.427 24.499 12.119 1.00 11.51 ? 217 VAL A O 1 ATOM 1549 C CB . VAL A 1 217 ? 67.431 21.448 12.243 1.00 13.62 ? 217 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 217 ? 68.045 21.294 10.859 1.00 17.58 ? 217 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 217 ? 67.357 20.096 12.957 1.00 18.51 ? 217 VAL A CG2 1 ATOM 1552 N N . LYS A 1 218 ? 69.654 24.057 11.925 1.00 13.64 ? 218 LYS A N 1 ATOM 1553 C CA . LYS A 1 218 ? 69.996 25.297 11.245 1.00 15.57 ? 218 LYS A CA 1 ATOM 1554 C C . LYS A 1 218 ? 71.063 25.132 10.173 1.00 14.09 ? 218 LYS A C 1 ATOM 1555 O O . LYS A 1 218 ? 72.117 24.523 10.381 1.00 13.78 ? 218 LYS A O 1 ATOM 1556 C CB . LYS A 1 218 ? 70.508 26.286 12.291 1.00 21.53 ? 218 LYS A CB 1 ATOM 1557 C CG . LYS A 1 218 ? 70.328 27.768 12.055 1.00 32.64 ? 218 LYS A CG 1 ATOM 1558 C CD . LYS A 1 218 ? 70.724 28.522 13.338 1.00 42.21 ? 218 LYS A CD 1 ATOM 1559 C CE . LYS A 1 218 ? 69.613 28.447 14.381 1.00 47.23 ? 218 LYS A CE 1 ATOM 1560 N NZ . LYS A 1 218 ? 70.088 28.854 15.738 1.00 52.51 ? 218 LYS A NZ 1 ATOM 1561 N N . ASN A 1 219 ? 70.779 25.739 9.030 1.00 10.84 ? 219 ASN A N 1 ATOM 1562 C CA . ASN A 1 219 ? 71.730 25.802 7.931 1.00 11.38 ? 219 ASN A CA 1 ATOM 1563 C C . ASN A 1 219 ? 72.119 24.407 7.471 1.00 10.56 ? 219 ASN A C 1 ATOM 1564 O O . ASN A 1 219 ? 73.192 23.899 7.777 1.00 12.28 ? 219 ASN A O 1 ATOM 1565 C CB . ASN A 1 219 ? 72.966 26.601 8.358 1.00 13.49 ? 219 ASN A CB 1 ATOM 1566 C CG . ASN A 1 219 ? 73.985 26.723 7.244 1.00 16.32 ? 219 ASN A CG 1 ATOM 1567 O OD1 . ASN A 1 219 ? 73.632 26.617 6.069 1.00 17.43 ? 219 ASN A OD1 1 ATOM 1568 N ND2 . ASN A 1 219 ? 75.257 26.935 7.575 1.00 17.88 ? 219 ASN A ND2 1 ATOM 1569 N N . VAL A 1 220 ? 71.211 23.778 6.747 1.00 12.34 ? 220 VAL A N 1 ATOM 1570 C CA . VAL A 1 220 ? 71.493 22.487 6.127 1.00 14.53 ? 220 VAL A CA 1 ATOM 1571 C C . VAL A 1 220 ? 71.181 22.634 4.638 1.00 12.36 ? 220 VAL A C 1 ATOM 1572 O O . VAL A 1 220 ? 70.233 23.313 4.216 1.00 13.38 ? 220 VAL A O 1 ATOM 1573 C CB . VAL A 1 220 ? 70.757 21.294 6.748 1.00 20.24 ? 220 VAL A CB 1 ATOM 1574 C CG1 . VAL A 1 220 ? 70.630 21.404 8.261 1.00 16.30 ? 220 VAL A CG1 1 ATOM 1575 C CG2 . VAL A 1 220 ? 69.374 21.216 6.145 1.00 41.78 ? 220 VAL A CG2 1 ATOM 1576 N N . THR A 1 221 ? 72.028 22.021 3.826 1.00 13.11 ? 221 THR A N 1 ATOM 1577 C CA . THR A 1 221 ? 71.923 22.101 2.379 1.00 12.72 ? 221 THR A CA 1 ATOM 1578 C C . THR A 1 221 ? 72.045 20.716 1.752 1.00 13.27 ? 221 THR A C 1 ATOM 1579 O O . THR A 1 221 ? 73.043 20.039 2.024 1.00 12.54 ? 221 THR A O 1 ATOM 1580 C CB . THR A 1 221 ? 73.013 22.986 1.755 1.00 12.81 ? 221 THR A CB 1 ATOM 1581 O OG1 . THR A 1 221 ? 72.963 24.264 2.387 1.00 15.24 ? 221 THR A OG1 1 ATOM 1582 C CG2 . THR A 1 221 ? 72.779 23.225 0.276 1.00 14.75 ? 221 THR A CG2 1 ATOM 1583 N N . PHE A 1 222 ? 71.059 20.388 0.934 1.00 9.26 ? 222 PHE A N 1 ATOM 1584 C CA . PHE A 1 222 ? 71.106 19.204 0.085 1.00 9.52 ? 222 PHE A CA 1 ATOM 1585 C C . PHE A 1 222 ? 71.193 19.696 -1.353 1.00 9.32 ? 222 PHE A C 1 ATOM 1586 O O . PHE A 1 222 ? 70.353 20.487 -1.764 1.00 11.52 ? 222 PHE A O 1 ATOM 1587 C CB . PHE A 1 222 ? 69.897 18.298 0.259 1.00 10.06 ? 222 PHE A CB 1 ATOM 1588 C CG . PHE A 1 222 ? 69.649 17.792 1.664 1.00 6.02 ? 222 PHE A CG 1 ATOM 1589 C CD1 . PHE A 1 222 ? 70.193 16.602 2.109 1.00 9.72 ? 222 PHE A CD1 1 ATOM 1590 C CD2 . PHE A 1 222 ? 68.888 18.535 2.537 1.00 10.05 ? 222 PHE A CD2 1 ATOM 1591 C CE1 . PHE A 1 222 ? 69.995 16.149 3.401 1.00 7.85 ? 222 PHE A CE1 1 ATOM 1592 C CE2 . PHE A 1 222 ? 68.650 18.078 3.825 1.00 14.38 ? 222 PHE A CE2 1 ATOM 1593 C CZ . PHE A 1 222 ? 69.189 16.881 4.256 1.00 11.90 ? 222 PHE A CZ 1 ATOM 1594 N N . VAL A 1 223 ? 72.193 19.263 -2.101 1.00 10.04 ? 223 VAL A N 1 ATOM 1595 C CA . VAL A 1 223 ? 72.416 19.779 -3.442 1.00 9.66 ? 223 VAL A CA 1 ATOM 1596 C C . VAL A 1 223 ? 72.945 18.685 -4.355 1.00 10.33 ? 223 VAL A C 1 ATOM 1597 O O . VAL A 1 223 ? 73.684 17.789 -3.960 1.00 11.73 ? 223 VAL A O 1 ATOM 1598 C CB . VAL A 1 223 ? 73.356 20.998 -3.391 1.00 18.79 ? 223 VAL A CB 1 ATOM 1599 C CG1 . VAL A 1 223 ? 74.716 20.645 -2.804 1.00 19.94 ? 223 VAL A CG1 1 ATOM 1600 C CG2 . VAL A 1 223 ? 73.570 21.616 -4.763 1.00 23.04 ? 223 VAL A CG2 1 ATOM 1601 N N . ASP A 1 224 ? 72.559 18.778 -5.615 1.00 10.52 ? 224 ASP A N 1 ATOM 1602 C CA . ASP A 1 224 ? 73.058 17.932 -6.686 1.00 13.47 ? 224 ASP A CA 1 ATOM 1603 C C . ASP A 1 224 ? 72.979 16.457 -6.315 1.00 18.27 ? 224 ASP A C 1 ATOM 1604 O O . ASP A 1 224 ? 73.948 15.702 -6.340 1.00 13.41 ? 224 ASP A O 1 ATOM 1605 C CB A ASP A 1 224 ? 74.474 18.365 -7.091 0.67 15.43 ? 224 ASP A CB 1 ATOM 1606 C CB B ASP A 1 224 ? 74.499 18.325 -7.014 0.33 14.19 ? 224 ASP A CB 1 ATOM 1607 C CG A ASP A 1 224 ? 74.396 19.352 -8.249 0.67 24.46 ? 224 ASP A CG 1 ATOM 1608 C CG B ASP A 1 224 ? 75.094 17.601 -8.197 0.33 10.44 ? 224 ASP A CG 1 ATOM 1609 O OD1 A ASP A 1 224 ? 74.809 20.521 -8.084 0.67 33.27 ? 224 ASP A OD1 1 ATOM 1610 O OD1 B ASP A 1 224 ? 74.345 17.223 -9.119 0.33 7.17 ? 224 ASP A OD1 1 ATOM 1611 O OD2 A ASP A 1 224 ? 73.928 18.954 -9.349 0.67 37.72 ? 224 ASP A OD2 1 ATOM 1612 O OD2 B ASP A 1 224 ? 76.329 17.414 -8.216 0.33 12.54 ? 224 ASP A OD2 1 ATOM 1613 N N . SER A 1 225 ? 71.755 16.045 -5.981 1.00 15.04 ? 225 SER A N 1 ATOM 1614 C CA . SER A 1 225 ? 71.503 14.688 -5.516 1.00 13.61 ? 225 SER A CA 1 ATOM 1615 C C . SER A 1 225 ? 70.253 14.117 -6.174 1.00 11.34 ? 225 SER A C 1 ATOM 1616 O O . SER A 1 225 ? 69.393 14.858 -6.641 1.00 14.99 ? 225 SER A O 1 ATOM 1617 C CB . SER A 1 225 ? 71.345 14.663 -3.997 1.00 14.82 ? 225 SER A CB 1 ATOM 1618 O OG . SER A 1 225 ? 72.385 15.426 -3.357 1.00 15.57 ? 225 SER A OG 1 ATOM 1619 N N . THR A 1 226 ? 70.202 12.800 -6.235 1.00 14.24 ? 226 THR A N 1 ATOM 1620 C CA . THR A 1 226 ? 69.106 12.048 -6.812 1.00 13.15 ? 226 THR A CA 1 ATOM 1621 C C . THR A 1 226 ? 68.489 11.166 -5.737 1.00 11.89 ? 226 THR A C 1 ATOM 1622 O O . THR A 1 226 ? 69.217 10.515 -4.994 1.00 9.13 ? 226 THR A O 1 ATOM 1623 C CB . THR A 1 226 ? 69.561 11.161 -7.983 1.00 15.60 ? 226 THR A CB 1 ATOM 1624 O OG1 . THR A 1 226 ? 69.981 12.051 -9.019 1.00 23.20 ? 226 THR A OG1 1 ATOM 1625 C CG2 . THR A 1 226 ? 68.433 10.304 -8.542 1.00 18.79 ? 226 THR A CG2 1 ATOM 1626 N N . ILE A 1 227 ? 67.170 11.198 -5.687 1.00 8.42 ? 227 ILE A N 1 ATOM 1627 C CA . ILE A 1 227 ? 66.372 10.322 -4.850 1.00 12.24 ? 227 ILE A CA 1 ATOM 1628 C C . ILE A 1 227 ? 65.459 9.523 -5.787 1.00 15.29 ? 227 ILE A C 1 ATOM 1629 O O . ILE A 1 227 ? 64.643 10.102 -6.499 1.00 13.71 ? 227 ILE A O 1 ATOM 1630 C CB . ILE A 1 227 ? 65.548 11.075 -3.800 1.00 17.14 ? 227 ILE A CB 1 ATOM 1631 C CG1 . ILE A 1 227 ? 66.389 12.029 -2.931 1.00 17.47 ? 227 ILE A CG1 1 ATOM 1632 C CG2 . ILE A 1 227 ? 64.775 10.129 -2.899 1.00 12.77 ? 227 ILE A CG2 1 ATOM 1633 C CD1 . ILE A 1 227 ? 65.528 13.093 -2.286 1.00 20.84 ? 227 ILE A CD1 1 ATOM 1634 N N . ILE A 1 228 ? 65.642 8.214 -5.765 1.00 12.93 ? 228 ILE A N 1 ATOM 1635 C CA . ILE A 1 228 ? 64.966 7.331 -6.706 1.00 13.47 ? 228 ILE A CA 1 ATOM 1636 C C . ILE A 1 228 ? 64.370 6.126 -5.992 1.00 10.55 ? 228 ILE A C 1 ATOM 1637 O O . ILE A 1 228 ? 64.963 5.584 -5.057 1.00 12.42 ? 228 ILE A O 1 ATOM 1638 C CB . ILE A 1 228 ? 65.946 6.890 -7.805 1.00 15.36 ? 228 ILE A CB 1 ATOM 1639 C CG1 . ILE A 1 228 ? 65.330 5.988 -8.873 1.00 19.08 ? 228 ILE A CG1 1 ATOM 1640 C CG2 . ILE A 1 228 ? 67.172 6.229 -7.196 1.00 18.65 ? 228 ILE A CG2 1 ATOM 1641 C CD1 . ILE A 1 228 ? 66.210 5.767 -10.072 1.00 23.08 ? 228 ILE A CD1 1 ATOM 1642 N N . ASN A 1 229 ? 63.190 5.713 -6.422 1.00 15.20 ? 229 ASN A N 1 ATOM 1643 C CA . ASN A 1 229 ? 62.516 4.528 -5.908 1.00 15.40 ? 229 ASN A CA 1 ATOM 1644 C C . ASN A 1 229 ? 62.479 4.573 -4.385 1.00 15.04 ? 229 ASN A C 1 ATOM 1645 O O . ASN A 1 229 ? 62.928 3.657 -3.696 1.00 16.85 ? 229 ASN A O 1 ATOM 1646 C CB . ASN A 1 229 ? 63.165 3.238 -6.408 1.00 25.83 ? 229 ASN A CB 1 ATOM 1647 C CG . ASN A 1 229 ? 63.078 2.980 -7.897 1.00 32.17 ? 229 ASN A CG 1 ATOM 1648 O OD1 . ASN A 1 229 ? 64.029 2.430 -8.493 1.00 37.28 ? 229 ASN A OD1 1 ATOM 1649 N ND2 . ASN A 1 229 ? 61.996 3.348 -8.561 1.00 26.30 ? 229 ASN A ND2 1 ATOM 1650 N N . SER A 1 230 ? 61.961 5.691 -3.903 1.00 10.92 ? 230 SER A N 1 ATOM 1651 C CA . SER A 1 230 ? 61.859 5.992 -2.495 1.00 11.24 ? 230 SER A CA 1 ATOM 1652 C C . SER A 1 230 ? 60.438 6.385 -2.119 1.00 15.53 ? 230 SER A C 1 ATOM 1653 O O . SER A 1 230 ? 59.678 6.838 -2.979 1.00 13.45 ? 230 SER A O 1 ATOM 1654 C CB . SER A 1 230 ? 62.821 7.142 -2.157 1.00 14.56 ? 230 SER A CB 1 ATOM 1655 O OG . SER A 1 230 ? 64.161 6.703 -2.343 1.00 18.22 ? 230 SER A OG 1 ATOM 1656 N N . ASP A 1 231 ? 60.124 6.252 -0.836 1.00 11.36 ? 231 ASP A N 1 ATOM 1657 C CA . ASP A 1 231 ? 58.789 6.559 -0.375 1.00 10.53 ? 231 ASP A CA 1 ATOM 1658 C C . ASP A 1 231 ? 58.523 8.058 -0.429 1.00 14.87 ? 231 ASP A C 1 ATOM 1659 O O . ASP A 1 231 ? 57.425 8.487 -0.777 1.00 13.85 ? 231 ASP A O 1 ATOM 1660 C CB . ASP A 1 231 ? 58.598 6.080 1.059 1.00 19.33 ? 231 ASP A CB 1 ATOM 1661 C CG . ASP A 1 231 ? 58.214 4.623 1.177 1.00 17.09 ? 231 ASP A CG 1 ATOM 1662 O OD1 . ASP A 1 231 ? 57.938 4.213 2.318 1.00 23.50 ? 231 ASP A OD1 1 ATOM 1663 O OD2 . ASP A 1 231 ? 58.170 3.911 0.160 1.00 24.50 ? 231 ASP A OD2 1 ATOM 1664 N N . ASN A 1 232 ? 59.539 8.835 -0.053 1.00 13.89 ? 232 ASN A N 1 ATOM 1665 C CA . ASN A 1 232 ? 59.463 10.286 -0.040 1.00 11.88 ? 232 ASN A CA 1 ATOM 1666 C C . ASN A 1 232 ? 60.692 10.897 -0.712 1.00 12.09 ? 232 ASN A C 1 ATOM 1667 O O . ASN A 1 232 ? 61.748 10.259 -0.777 1.00 12.38 ? 232 ASN A O 1 ATOM 1668 C CB . ASN A 1 232 ? 59.386 10.856 1.382 1.00 15.49 ? 232 ASN A CB 1 ATOM 1669 C CG . ASN A 1 232 ? 58.627 9.983 2.358 1.00 20.15 ? 232 ASN A CG 1 ATOM 1670 O OD1 . ASN A 1 232 ? 57.396 10.056 2.381 1.00 17.77 ? 232 ASN A OD1 1 ATOM 1671 N ND2 . ASN A 1 232 ? 59.326 9.166 3.139 1.00 18.67 ? 232 ASN A ND2 1 ATOM 1672 N N . GLY A 1 233 ? 60.553 12.137 -1.165 1.00 9.81 ? 233 GLY A N 1 ATOM 1673 C CA . GLY A 1 233 ? 61.717 12.827 -1.727 1.00 10.36 ? 233 GLY A CA 1 ATOM 1674 C C . GLY A 1 233 ? 62.289 13.767 -0.672 1.00 15.71 ? 233 GLY A C 1 ATOM 1675 O O . GLY A 1 233 ? 63.159 13.431 0.126 1.00 15.61 ? 233 GLY A O 1 ATOM 1676 N N . VAL A 1 234 ? 61.756 14.978 -0.666 1.00 14.66 ? 234 VAL A N 1 ATOM 1677 C CA . VAL A 1 234 ? 62.093 15.992 0.318 1.00 13.04 ? 234 VAL A CA 1 ATOM 1678 C C . VAL A 1 234 ? 61.185 15.867 1.524 1.00 14.53 ? 234 VAL A C 1 ATOM 1679 O O . VAL A 1 234 ? 59.958 15.815 1.362 1.00 11.71 ? 234 VAL A O 1 ATOM 1680 C CB . VAL A 1 234 ? 61.902 17.374 -0.324 1.00 9.06 ? 234 VAL A CB 1 ATOM 1681 C CG1 . VAL A 1 234 ? 62.017 18.500 0.696 1.00 14.39 ? 234 VAL A CG1 1 ATOM 1682 C CG2 . VAL A 1 234 ? 62.908 17.513 -1.450 1.00 15.33 ? 234 VAL A CG2 1 ATOM 1683 N N . ARG A 1 235 ? 61.776 15.817 2.717 1.00 12.71 ? 235 ARG A N 1 ATOM 1684 C CA . ARG A 1 235 ? 60.932 15.635 3.885 1.00 11.32 ? 235 ARG A CA 1 ATOM 1685 C C . ARG A 1 235 ? 61.470 16.350 5.117 1.00 12.76 ? 235 ARG A C 1 ATOM 1686 O O . ARG A 1 235 ? 62.638 16.252 5.451 1.00 11.39 ? 235 ARG A O 1 ATOM 1687 C CB . ARG A 1 235 ? 60.756 14.138 4.207 1.00 15.14 ? 235 ARG A CB 1 ATOM 1688 C CG . ARG A 1 235 ? 60.029 13.930 5.532 1.00 11.99 ? 235 ARG A CG 1 ATOM 1689 C CD . ARG A 1 235 ? 59.435 12.537 5.633 1.00 14.90 ? 235 ARG A CD 1 ATOM 1690 N NE . ARG A 1 235 ? 60.434 11.516 5.861 1.00 14.16 ? 235 ARG A NE 1 ATOM 1691 C CZ . ARG A 1 235 ? 60.285 10.351 6.466 1.00 16.08 ? 235 ARG A CZ 1 ATOM 1692 N NH1 . ARG A 1 235 ? 61.318 9.536 6.614 1.00 11.04 ? 235 ARG A NH1 1 ATOM 1693 N NH2 . ARG A 1 235 ? 59.099 9.985 6.931 1.00 20.75 ? 235 ARG A NH2 1 ATOM 1694 N N . ILE A 1 236 ? 60.562 17.034 5.787 1.00 12.20 ? 236 ILE A N 1 ATOM 1695 C CA . ILE A 1 236 ? 60.741 17.699 7.065 1.00 10.07 ? 236 ILE A CA 1 ATOM 1696 C C . ILE A 1 236 ? 59.679 17.198 8.044 1.00 13.39 ? 236 ILE A C 1 ATOM 1697 O O . ILE A 1 236 ? 58.479 17.342 7.784 1.00 15.27 ? 236 ILE A O 1 ATOM 1698 C CB . ILE A 1 236 ? 60.643 19.227 6.934 1.00 15.15 ? 236 ILE A CB 1 ATOM 1699 C CG1 . ILE A 1 236 ? 61.662 19.807 5.938 1.00 15.31 ? 236 ILE A CG1 1 ATOM 1700 C CG2 . ILE A 1 236 ? 60.757 19.881 8.297 1.00 12.89 ? 236 ILE A CG2 1 ATOM 1701 C CD1 . ILE A 1 236 ? 61.631 21.311 5.813 1.00 22.18 ? 236 ILE A CD1 1 ATOM 1702 N N . LYS A 1 237 ? 60.123 16.603 9.133 1.00 11.20 ? 237 LYS A N 1 ATOM 1703 C CA . LYS A 1 237 ? 59.264 16.044 10.155 1.00 12.54 ? 237 LYS A CA 1 ATOM 1704 C C . LYS A 1 237 ? 59.581 16.693 11.501 1.00 13.99 ? 237 LYS A C 1 ATOM 1705 O O . LYS A 1 237 ? 60.720 16.638 11.961 1.00 13.35 ? 237 LYS A O 1 ATOM 1706 C CB . LYS A 1 237 ? 59.375 14.534 10.313 1.00 17.12 ? 237 LYS A CB 1 ATOM 1707 C CG . LYS A 1 237 ? 60.205 13.710 9.379 1.00 23.13 ? 237 LYS A CG 1 ATOM 1708 C CD . LYS A 1 237 ? 60.582 12.304 9.858 1.00 17.77 ? 237 LYS A CD 1 ATOM 1709 C CE . LYS A 1 237 ? 61.993 11.997 9.348 1.00 19.34 ? 237 LYS A CE 1 ATOM 1710 N NZ . LYS A 1 237 ? 62.556 10.679 9.736 1.00 19.80 ? 237 LYS A NZ 1 ATOM 1711 N N . THR A 1 238 ? 58.570 17.311 12.103 1.00 10.88 ? 238 THR A N 1 ATOM 1712 C CA . THR A 1 238 ? 58.705 17.801 13.467 1.00 11.89 ? 238 THR A CA 1 ATOM 1713 C C . THR A 1 238 ? 57.608 17.143 14.316 1.00 18.54 ? 238 THR A C 1 ATOM 1714 O O . THR A 1 238 ? 56.489 16.927 13.856 1.00 16.88 ? 238 THR A O 1 ATOM 1715 C CB . THR A 1 238 ? 58.662 19.325 13.590 1.00 12.86 ? 238 THR A CB 1 ATOM 1716 O OG1 . THR A 1 238 ? 57.314 19.787 13.493 1.00 17.01 ? 238 THR A OG1 1 ATOM 1717 C CG2 . THR A 1 238 ? 59.421 19.999 12.452 1.00 9.88 ? 238 THR A CG2 1 ATOM 1718 N N . ASN A 1 239 ? 57.991 16.796 15.536 1.00 17.87 ? 239 ASN A N 1 ATOM 1719 C CA . ASN A 1 239 ? 57.192 16.022 16.468 1.00 17.28 ? 239 ASN A CA 1 ATOM 1720 C C . ASN A 1 239 ? 56.091 16.889 17.077 1.00 12.70 ? 239 ASN A C 1 ATOM 1721 O O . ASN A 1 239 ? 56.321 18.017 17.499 1.00 9.99 ? 239 ASN A O 1 ATOM 1722 C CB . ASN A 1 239 ? 58.025 15.423 17.613 1.00 17.59 ? 239 ASN A CB 1 ATOM 1723 C CG . ASN A 1 239 ? 58.942 14.327 17.108 1.00 17.90 ? 239 ASN A CG 1 ATOM 1724 O OD1 . ASN A 1 239 ? 58.489 13.478 16.341 1.00 18.78 ? 239 ASN A OD1 1 ATOM 1725 N ND2 . ASN A 1 239 ? 60.207 14.335 17.505 1.00 15.72 ? 239 ASN A ND2 1 ATOM 1726 N N . ILE A 1 240 ? 54.908 16.287 17.065 1.00 15.80 ? 240 ILE A N 1 ATOM 1727 C CA . ILE A 1 240 ? 53.732 16.982 17.585 1.00 14.90 ? 240 ILE A CA 1 ATOM 1728 C C . ILE A 1 240 ? 53.921 17.244 19.067 1.00 14.12 ? 240 ILE A C 1 ATOM 1729 O O . ILE A 1 240 ? 54.531 16.437 19.767 1.00 11.90 ? 240 ILE A O 1 ATOM 1730 C CB . ILE A 1 240 ? 52.467 16.155 17.294 1.00 18.22 ? 240 ILE A CB 1 ATOM 1731 C CG1 . ILE A 1 240 ? 51.176 16.952 17.497 1.00 20.30 ? 240 ILE A CG1 1 ATOM 1732 C CG2 . ILE A 1 240 ? 52.474 14.866 18.091 1.00 19.37 ? 240 ILE A CG2 1 ATOM 1733 C CD1 . ILE A 1 240 ? 49.956 16.282 16.902 1.00 27.42 ? 240 ILE A CD1 1 ATOM 1734 N N . ASP A 1 241 ? 53.466 18.364 19.577 1.00 16.37 ? 241 ASP A N 1 ATOM 1735 C CA . ASP A 1 241 ? 53.475 18.812 20.941 1.00 20.58 ? 241 ASP A CA 1 ATOM 1736 C C . ASP A 1 241 ? 54.894 19.106 21.410 1.00 21.29 ? 241 ASP A C 1 ATOM 1737 O O . ASP A 1 241 ? 55.095 19.194 22.620 1.00 24.30 ? 241 ASP A O 1 ATOM 1738 C CB . ASP A 1 241 ? 52.821 17.765 21.857 1.00 25.32 ? 241 ASP A CB 1 ATOM 1739 C CG . ASP A 1 241 ? 51.311 17.729 21.698 1.00 30.02 ? 241 ASP A CG 1 ATOM 1740 O OD1 . ASP A 1 241 ? 50.700 16.673 21.976 1.00 35.04 ? 241 ASP A OD1 1 ATOM 1741 O OD2 . ASP A 1 241 ? 50.717 18.744 21.291 1.00 30.77 ? 241 ASP A OD2 1 ATOM 1742 N N . THR A 1 242 ? 55.870 19.240 20.510 1.00 14.30 ? 242 THR A N 1 ATOM 1743 C CA . THR A 1 242 ? 57.217 19.554 20.991 1.00 12.88 ? 242 THR A CA 1 ATOM 1744 C C . THR A 1 242 ? 57.644 20.933 20.522 1.00 16.95 ? 242 THR A C 1 ATOM 1745 O O . THR A 1 242 ? 56.984 21.549 19.686 1.00 17.42 ? 242 THR A O 1 ATOM 1746 C CB . THR A 1 242 ? 58.249 18.507 20.532 1.00 13.23 ? 242 THR A CB 1 ATOM 1747 O OG1 . THR A 1 242 ? 58.427 18.584 19.115 1.00 15.53 ? 242 THR A OG1 1 ATOM 1748 C CG2 . THR A 1 242 ? 57.741 17.102 20.815 1.00 13.74 ? 242 THR A CG2 1 ATOM 1749 N N . THR A 1 243 ? 58.750 21.450 21.047 1.00 14.20 ? 243 THR A N 1 ATOM 1750 C CA . THR A 1 243 ? 59.275 22.729 20.610 1.00 16.24 ? 243 THR A CA 1 ATOM 1751 C C . THR A 1 243 ? 60.692 22.557 20.061 1.00 13.79 ? 243 THR A C 1 ATOM 1752 O O . THR A 1 243 ? 61.410 21.662 20.490 1.00 13.63 ? 243 THR A O 1 ATOM 1753 C CB . THR A 1 243 ? 59.304 23.768 21.744 1.00 18.29 ? 243 THR A CB 1 ATOM 1754 O OG1 . THR A 1 243 ? 60.137 23.307 22.816 1.00 17.95 ? 243 THR A OG1 1 ATOM 1755 C CG2 . THR A 1 243 ? 57.916 23.970 22.337 1.00 19.14 ? 243 THR A CG2 1 ATOM 1756 N N . GLY A 1 244 ? 61.062 23.429 19.133 1.00 14.88 ? 244 GLY A N 1 ATOM 1757 C CA . GLY A 1 244 ? 62.388 23.473 18.556 1.00 14.12 ? 244 GLY A CA 1 ATOM 1758 C C . GLY A 1 244 ? 62.344 24.496 17.430 1.00 14.70 ? 244 GLY A C 1 ATOM 1759 O O . GLY A 1 244 ? 61.498 25.387 17.476 1.00 17.74 ? 244 GLY A O 1 ATOM 1760 N N . SER A 1 245 ? 63.218 24.371 16.448 1.00 15.96 ? 245 SER A N 1 ATOM 1761 C CA . SER A 1 245 ? 63.141 25.193 15.249 1.00 17.80 ? 245 SER A CA 1 ATOM 1762 C C . SER A 1 245 ? 63.979 24.562 14.138 1.00 17.02 ? 245 SER A C 1 ATOM 1763 O O . SER A 1 245 ? 64.964 23.858 14.349 1.00 9.51 ? 245 SER A O 1 ATOM 1764 C CB . SER A 1 245 ? 63.551 26.639 15.484 1.00 19.90 ? 245 SER A CB 1 ATOM 1765 O OG . SER A 1 245 ? 64.930 26.772 15.678 1.00 20.51 ? 245 SER A OG 1 ATOM 1766 N N . VAL A 1 246 ? 63.498 24.838 12.936 1.00 16.30 ? 246 VAL A N 1 ATOM 1767 C CA . VAL A 1 246 ? 64.149 24.412 11.701 1.00 14.66 ? 246 VAL A CA 1 ATOM 1768 C C . VAL A 1 246 ? 64.274 25.660 10.834 1.00 16.10 ? 246 VAL A C 1 ATOM 1769 O O . VAL A 1 246 ? 63.275 26.285 10.456 1.00 11.37 ? 246 VAL A O 1 ATOM 1770 C CB . VAL A 1 246 ? 63.391 23.286 10.988 1.00 16.32 ? 246 VAL A CB 1 ATOM 1771 C CG1 . VAL A 1 246 ? 64.057 22.876 9.672 1.00 15.03 ? 246 VAL A CG1 1 ATOM 1772 C CG2 . VAL A 1 246 ? 63.267 22.054 11.884 1.00 16.49 ? 246 VAL A CG2 1 ATOM 1773 N N . SER A 1 247 ? 65.515 26.056 10.538 1.00 13.10 ? 247 SER A N 1 ATOM 1774 C CA . SER A 1 247 ? 65.659 27.267 9.745 1.00 10.56 ? 247 SER A CA 1 ATOM 1775 C C . SER A 1 247 ? 66.870 27.194 8.834 1.00 10.75 ? 247 SER A C 1 ATOM 1776 O O . SER A 1 247 ? 67.864 26.563 9.170 1.00 13.36 ? 247 SER A O 1 ATOM 1777 C CB . SER A 1 247 ? 65.780 28.503 10.653 1.00 18.10 ? 247 SER A CB 1 ATOM 1778 O OG . SER A 1 247 ? 67.015 28.458 11.344 1.00 17.21 ? 247 SER A OG 1 ATOM 1779 N N . ASP A 1 248 ? 66.741 27.850 7.701 1.00 11.50 ? 248 ASP A N 1 ATOM 1780 C CA . ASP A 1 248 ? 67.763 27.940 6.670 1.00 11.08 ? 248 ASP A CA 1 ATOM 1781 C C . ASP A 1 248 ? 68.122 26.557 6.144 1.00 11.46 ? 248 ASP A C 1 ATOM 1782 O O . ASP A 1 248 ? 69.243 26.078 6.182 1.00 11.95 ? 248 ASP A O 1 ATOM 1783 C CB A ASP A 1 248 ? 68.950 28.715 7.244 0.67 17.08 ? 248 ASP A CB 1 ATOM 1784 C CB B ASP A 1 248 ? 68.998 28.653 7.212 0.33 14.96 ? 248 ASP A CB 1 ATOM 1785 C CG A ASP A 1 248 ? 68.498 30.172 7.392 0.67 18.84 ? 248 ASP A CG 1 ATOM 1786 C CG B ASP A 1 248 ? 70.030 28.983 6.152 0.33 11.22 ? 248 ASP A CG 1 ATOM 1787 O OD1 A ASP A 1 248 ? 68.393 30.667 8.534 0.67 32.65 ? 248 ASP A OD1 1 ATOM 1788 O OD1 B ASP A 1 248 ? 69.714 28.930 4.946 0.33 1.97 ? 248 ASP A OD1 1 ATOM 1789 O OD2 A ASP A 1 248 ? 68.224 30.778 6.344 0.67 18.96 ? 248 ASP A OD2 1 ATOM 1790 O OD2 B ASP A 1 248 ? 71.174 29.306 6.537 0.33 6.01 ? 248 ASP A OD2 1 ATOM 1791 N N . VAL A 1 249 ? 67.085 25.896 5.646 1.00 10.97 ? 249 VAL A N 1 ATOM 1792 C CA . VAL A 1 249 ? 67.181 24.594 5.012 1.00 13.77 ? 249 VAL A CA 1 ATOM 1793 C C . VAL A 1 249 ? 66.990 24.780 3.514 1.00 14.20 ? 249 VAL A C 1 ATOM 1794 O O . VAL A 1 249 ? 66.016 25.406 3.083 1.00 19.90 ? 249 VAL A O 1 ATOM 1795 C CB . VAL A 1 249 ? 66.153 23.596 5.569 1.00 12.36 ? 249 VAL A CB 1 ATOM 1796 C CG1 . VAL A 1 249 ? 66.212 22.269 4.804 1.00 12.33 ? 249 VAL A CG1 1 ATOM 1797 C CG2 . VAL A 1 249 ? 66.400 23.385 7.062 1.00 19.54 ? 249 VAL A CG2 1 ATOM 1798 N N . THR A 1 250 ? 67.927 24.260 2.742 1.00 12.13 ? 250 THR A N 1 ATOM 1799 C CA . THR A 1 250 ? 67.917 24.394 1.297 1.00 11.40 ? 250 THR A CA 1 ATOM 1800 C C . THR A 1 250 ? 68.064 23.035 0.626 1.00 10.88 ? 250 THR A C 1 ATOM 1801 O O . THR A 1 250 ? 68.963 22.259 0.946 1.00 10.39 ? 250 THR A O 1 ATOM 1802 C CB . THR A 1 250 ? 69.065 25.311 0.838 1.00 12.08 ? 250 THR A CB 1 ATOM 1803 O OG1 . THR A 1 250 ? 68.974 26.587 1.495 1.00 15.72 ? 250 THR A OG1 1 ATOM 1804 C CG2 . THR A 1 250 ? 69.005 25.616 -0.649 1.00 16.40 ? 250 THR A CG2 1 ATOM 1805 N N . TYR A 1 251 ? 67.178 22.776 -0.323 1.00 11.49 ? 251 TYR A N 1 ATOM 1806 C CA . TYR A 1 251 ? 67.302 21.700 -1.294 1.00 14.91 ? 251 TYR A CA 1 ATOM 1807 C C . TYR A 1 251 ? 67.436 22.336 -2.684 1.00 12.54 ? 251 TYR A C 1 ATOM 1808 O O . TYR A 1 251 ? 66.573 23.107 -3.085 1.00 14.73 ? 251 TYR A O 1 ATOM 1809 C CB . TYR A 1 251 ? 66.115 20.758 -1.308 1.00 13.82 ? 251 TYR A CB 1 ATOM 1810 C CG . TYR A 1 251 ? 65.838 19.979 -0.052 1.00 11.42 ? 251 TYR A CG 1 ATOM 1811 C CD1 . TYR A 1 251 ? 65.429 20.602 1.118 1.00 12.20 ? 251 TYR A CD1 1 ATOM 1812 C CD2 . TYR A 1 251 ? 65.985 18.600 -0.052 1.00 10.77 ? 251 TYR A CD2 1 ATOM 1813 C CE1 . TYR A 1 251 ? 65.176 19.884 2.267 1.00 11.57 ? 251 TYR A CE1 1 ATOM 1814 C CE2 . TYR A 1 251 ? 65.733 17.868 1.094 1.00 13.91 ? 251 TYR A CE2 1 ATOM 1815 C CZ . TYR A 1 251 ? 65.325 18.517 2.243 1.00 12.97 ? 251 TYR A CZ 1 ATOM 1816 O OH . TYR A 1 251 ? 65.063 17.807 3.393 1.00 11.97 ? 251 TYR A OH 1 ATOM 1817 N N . LYS A 1 252 ? 68.490 21.999 -3.396 1.00 12.70 ? 252 LYS A N 1 ATOM 1818 C CA . LYS A 1 252 ? 68.828 22.625 -4.657 1.00 11.78 ? 252 LYS A CA 1 ATOM 1819 C C . LYS A 1 252 ? 69.372 21.631 -5.676 1.00 14.74 ? 252 LYS A C 1 ATOM 1820 O O . LYS A 1 252 ? 70.233 20.819 -5.326 1.00 12.66 ? 252 LYS A O 1 ATOM 1821 C CB . LYS A 1 252 ? 69.896 23.691 -4.366 1.00 15.03 ? 252 LYS A CB 1 ATOM 1822 C CG . LYS A 1 252 ? 70.371 24.401 -5.621 1.00 18.93 ? 252 LYS A CG 1 ATOM 1823 C CD . LYS A 1 252 ? 70.980 25.753 -5.282 1.00 36.29 ? 252 LYS A CD 1 ATOM 1824 C CE . LYS A 1 252 ? 72.492 25.774 -5.420 1.00 49.17 ? 252 LYS A CE 1 ATOM 1825 N NZ . LYS A 1 252 ? 72.945 25.783 -6.842 1.00 56.96 ? 252 LYS A NZ 1 ATOM 1826 N N . ASP A 1 253 ? 68.889 21.722 -6.907 1.00 9.31 ? 253 ASP A N 1 ATOM 1827 C CA . ASP A 1 253 ? 69.320 20.813 -7.955 1.00 8.56 ? 253 ASP A CA 1 ATOM 1828 C C . ASP A 1 253 ? 69.154 19.361 -7.527 1.00 14.37 ? 253 ASP A C 1 ATOM 1829 O O . ASP A 1 253 ? 70.127 18.616 -7.462 1.00 15.11 ? 253 ASP A O 1 ATOM 1830 C CB . ASP A 1 253 ? 70.773 21.081 -8.340 1.00 13.47 ? 253 ASP A CB 1 ATOM 1831 C CG . ASP A 1 253 ? 70.909 22.473 -8.921 1.00 15.16 ? 253 ASP A CG 1 ATOM 1832 O OD1 . ASP A 1 253 ? 69.890 23.018 -9.398 1.00 19.03 ? 253 ASP A OD1 1 ATOM 1833 O OD2 . ASP A 1 253 ? 72.018 23.031 -8.886 1.00 28.02 ? 253 ASP A OD2 1 ATOM 1834 N N . ILE A 1 254 ? 67.909 19.017 -7.245 1.00 13.28 ? 254 ILE A N 1 ATOM 1835 C CA . ILE A 1 254 ? 67.516 17.689 -6.824 1.00 13.14 ? 254 ILE A CA 1 ATOM 1836 C C . ILE A 1 254 ? 66.623 17.035 -7.872 1.00 16.72 ? 254 ILE A C 1 ATOM 1837 O O . ILE A 1 254 ? 65.690 17.672 -8.367 1.00 13.13 ? 254 ILE A O 1 ATOM 1838 C CB . ILE A 1 254 ? 66.761 17.717 -5.481 1.00 14.66 ? 254 ILE A CB 1 ATOM 1839 C CG1 . ILE A 1 254 ? 67.496 18.497 -4.390 1.00 20.43 ? 254 ILE A CG1 1 ATOM 1840 C CG2 . ILE A 1 254 ? 66.420 16.314 -4.995 1.00 19.29 ? 254 ILE A CG2 1 ATOM 1841 C CD1 . ILE A 1 254 ? 68.719 17.809 -3.827 1.00 14.53 ? 254 ILE A CD1 1 ATOM 1842 N N . THR A 1 255 ? 66.968 15.786 -8.178 1.00 12.99 ? 255 THR A N 1 ATOM 1843 C CA . THR A 1 255 ? 66.137 14.970 -9.045 1.00 13.58 ? 255 THR A CA 1 ATOM 1844 C C . THR A 1 255 ? 65.393 13.919 -8.226 1.00 15.54 ? 255 THR A C 1 ATOM 1845 O O . THR A 1 255 ? 66.028 13.178 -7.470 1.00 19.18 ? 255 THR A O 1 ATOM 1846 C CB . THR A 1 255 ? 66.980 14.318 -10.147 1.00 12.87 ? 255 THR A CB 1 ATOM 1847 O OG1 . THR A 1 255 ? 67.470 15.356 -11.011 1.00 16.28 ? 255 THR A OG1 1 ATOM 1848 C CG2 . THR A 1 255 ? 66.109 13.390 -10.994 1.00 15.81 ? 255 THR A CG2 1 ATOM 1849 N N . LEU A 1 256 ? 64.076 13.883 -8.367 1.00 14.53 ? 256 LEU A N 1 ATOM 1850 C CA . LEU A 1 256 ? 63.195 12.908 -7.721 1.00 16.37 ? 256 LEU A CA 1 ATOM 1851 C C . LEU A 1 256 ? 62.643 11.938 -8.764 1.00 16.12 ? 256 LEU A C 1 ATOM 1852 O O . LEU A 1 256 ? 61.973 12.388 -9.713 1.00 16.33 ? 256 LEU A O 1 ATOM 1853 C CB . LEU A 1 256 ? 62.004 13.570 -7.053 1.00 18.02 ? 256 LEU A CB 1 ATOM 1854 C CG . LEU A 1 256 ? 62.055 14.068 -5.614 1.00 23.18 ? 256 LEU A CG 1 ATOM 1855 C CD1 . LEU A 1 256 ? 63.448 14.438 -5.148 1.00 16.29 ? 256 LEU A CD1 1 ATOM 1856 C CD2 . LEU A 1 256 ? 61.123 15.275 -5.446 1.00 24.30 ? 256 LEU A CD2 1 ATOM 1857 N N . THR A 1 257 ? 62.900 10.651 -8.616 1.00 11.71 ? 257 THR A N 1 ATOM 1858 C CA . THR A 1 257 ? 62.440 9.696 -9.632 1.00 13.07 ? 257 THR A CA 1 ATOM 1859 C C . THR A 1 257 ? 61.672 8.548 -9.006 1.00 14.90 ? 257 THR A C 1 ATOM 1860 O O . THR A 1 257 ? 62.149 7.890 -8.083 1.00 15.25 ? 257 THR A O 1 ATOM 1861 C CB . THR A 1 257 ? 63.646 9.168 -10.438 1.00 13.76 ? 257 THR A CB 1 ATOM 1862 O OG1 . THR A 1 257 ? 64.307 10.274 -11.066 1.00 16.06 ? 257 THR A OG1 1 ATOM 1863 C CG2 . THR A 1 257 ? 63.221 8.207 -11.542 1.00 14.92 ? 257 THR A CG2 1 ATOM 1864 N N . SER A 1 258 ? 60.477 8.281 -9.497 1.00 12.57 ? 258 SER A N 1 ATOM 1865 C CA . SER A 1 258 ? 59.554 7.269 -9.048 1.00 13.31 ? 258 SER A CA 1 ATOM 1866 C C . SER A 1 258 ? 59.359 7.279 -7.549 1.00 12.40 ? 258 SER A C 1 ATOM 1867 O O . SER A 1 258 ? 59.567 6.276 -6.864 1.00 15.76 ? 258 SER A O 1 ATOM 1868 C CB . SER A 1 258 ? 60.049 5.871 -9.487 1.00 19.26 ? 258 SER A CB 1 ATOM 1869 O OG . SER A 1 258 ? 60.015 5.875 -10.909 1.00 25.90 ? 258 SER A OG 1 ATOM 1870 N N . ILE A 1 259 ? 58.968 8.430 -7.016 1.00 12.96 ? 259 ILE A N 1 ATOM 1871 C CA . ILE A 1 259 ? 58.666 8.487 -5.598 1.00 11.08 ? 259 ILE A CA 1 ATOM 1872 C C . ILE A 1 259 ? 57.308 7.851 -5.327 1.00 12.37 ? 259 ILE A C 1 ATOM 1873 O O . ILE A 1 259 ? 56.374 8.111 -6.079 1.00 12.08 ? 259 ILE A O 1 ATOM 1874 C CB . ILE A 1 259 ? 58.668 9.946 -5.112 1.00 14.14 ? 259 ILE A CB 1 ATOM 1875 C CG1 . ILE A 1 259 ? 59.960 10.685 -5.442 1.00 14.73 ? 259 ILE A CG1 1 ATOM 1876 C CG2 . ILE A 1 259 ? 58.364 9.969 -3.627 1.00 11.50 ? 259 ILE A CG2 1 ATOM 1877 C CD1 . ILE A 1 259 ? 61.206 9.984 -4.932 1.00 13.42 ? 259 ILE A CD1 1 ATOM 1878 N N . ALA A 1 260 ? 57.203 7.055 -4.272 1.00 17.22 ? 260 ALA A N 1 ATOM 1879 C CA . ALA A 1 260 ? 56.037 6.213 -4.050 1.00 17.79 ? 260 ALA A CA 1 ATOM 1880 C C . ALA A 1 260 ? 54.942 6.905 -3.252 1.00 17.32 ? 260 ALA A C 1 ATOM 1881 O O . ALA A 1 260 ? 53.753 6.685 -3.520 1.00 19.57 ? 260 ALA A O 1 ATOM 1882 C CB . ALA A 1 260 ? 56.450 4.922 -3.336 1.00 17.85 ? 260 ALA A CB 1 ATOM 1883 N N . LYS A 1 261 ? 55.301 7.714 -2.259 1.00 12.82 ? 261 LYS A N 1 ATOM 1884 C CA . LYS A 1 261 ? 54.257 8.249 -1.391 1.00 13.47 ? 261 LYS A CA 1 ATOM 1885 C C . LYS A 1 261 ? 54.120 9.761 -1.458 1.00 16.52 ? 261 LYS A C 1 ATOM 1886 O O . LYS A 1 261 ? 53.024 10.270 -1.733 1.00 15.43 ? 261 LYS A O 1 ATOM 1887 C CB . LYS A 1 261 ? 54.478 7.803 0.062 1.00 19.30 ? 261 LYS A CB 1 ATOM 1888 C CG . LYS A 1 261 ? 54.166 6.325 0.277 1.00 26.73 ? 261 LYS A CG 1 ATOM 1889 C CD . LYS A 1 261 ? 54.678 5.879 1.636 1.00 34.50 ? 261 LYS A CD 1 ATOM 1890 C CE . LYS A 1 261 ? 54.264 4.444 1.970 1.00 41.08 ? 261 LYS A CE 1 ATOM 1891 N NZ . LYS A 1 261 ? 54.279 3.564 0.758 1.00 60.30 ? 261 LYS A NZ 1 ATOM 1892 N N . TYR A 1 262 ? 55.206 10.478 -1.201 1.00 18.63 ? 262 TYR A N 1 ATOM 1893 C CA . TYR A 1 262 ? 55.168 11.937 -1.200 1.00 14.88 ? 262 TYR A CA 1 ATOM 1894 C C . TYR A 1 262 ? 56.395 12.538 -1.872 1.00 15.04 ? 262 TYR A C 1 ATOM 1895 O O . TYR A 1 262 ? 57.509 12.308 -1.379 1.00 10.42 ? 262 TYR A O 1 ATOM 1896 C CB . TYR A 1 262 ? 55.119 12.505 0.220 1.00 15.61 ? 262 TYR A CB 1 ATOM 1897 C CG . TYR A 1 262 ? 53.865 12.135 0.980 1.00 15.46 ? 262 TYR A CG 1 ATOM 1898 C CD1 . TYR A 1 262 ? 52.649 12.700 0.626 1.00 17.87 ? 262 TYR A CD1 1 ATOM 1899 C CD2 . TYR A 1 262 ? 53.897 11.231 2.032 1.00 16.41 ? 262 TYR A CD2 1 ATOM 1900 C CE1 . TYR A 1 262 ? 51.499 12.354 1.310 1.00 21.93 ? 262 TYR A CE1 1 ATOM 1901 C CE2 . TYR A 1 262 ? 52.750 10.881 2.722 1.00 23.11 ? 262 TYR A CE2 1 ATOM 1902 C CZ . TYR A 1 262 ? 51.554 11.453 2.349 1.00 24.69 ? 262 TYR A CZ 1 ATOM 1903 O OH . TYR A 1 262 ? 50.392 11.137 3.010 1.00 30.37 ? 262 TYR A OH 1 ATOM 1904 N N . GLY A 1 263 ? 56.189 13.301 -2.945 1.00 13.61 ? 263 GLY A N 1 ATOM 1905 C CA . GLY A 1 263 ? 57.340 13.970 -3.550 1.00 14.22 ? 263 GLY A CA 1 ATOM 1906 C C . GLY A 1 263 ? 57.994 14.913 -2.547 1.00 14.92 ? 263 GLY A C 1 ATOM 1907 O O . GLY A 1 263 ? 59.184 14.846 -2.256 1.00 11.77 ? 263 GLY A O 1 ATOM 1908 N N . ILE A 1 264 ? 57.177 15.806 -2.006 1.00 12.85 ? 264 ILE A N 1 ATOM 1909 C CA . ILE A 1 264 ? 57.601 16.757 -0.981 1.00 11.17 ? 264 ILE A CA 1 ATOM 1910 C C . ILE A 1 264 ? 56.650 16.611 0.196 1.00 11.75 ? 264 ILE A C 1 ATOM 1911 O O . ILE A 1 264 ? 55.431 16.670 0.032 1.00 15.79 ? 264 ILE A O 1 ATOM 1912 C CB . ILE A 1 264 ? 57.636 18.203 -1.499 1.00 12.12 ? 264 ILE A CB 1 ATOM 1913 C CG1 . ILE A 1 264 ? 58.701 18.453 -2.582 1.00 14.65 ? 264 ILE A CG1 1 ATOM 1914 C CG2 . ILE A 1 264 ? 57.833 19.228 -0.395 1.00 12.44 ? 264 ILE A CG2 1 ATOM 1915 C CD1 . ILE A 1 264 ? 58.381 19.683 -3.413 1.00 20.34 ? 264 ILE A CD1 1 ATOM 1916 N N . VAL A 1 265 ? 57.149 16.382 1.404 1.00 13.01 ? 265 VAL A N 1 ATOM 1917 C CA . VAL A 1 265 ? 56.249 16.287 2.551 1.00 14.10 ? 265 VAL A CA 1 ATOM 1918 C C . VAL A 1 265 ? 56.833 17.034 3.742 1.00 16.50 ? 265 VAL A C 1 ATOM 1919 O O . VAL A 1 265 ? 57.973 16.814 4.163 1.00 13.89 ? 265 VAL A O 1 ATOM 1920 C CB . VAL A 1 265 ? 55.927 14.813 2.874 1.00 19.11 ? 265 VAL A CB 1 ATOM 1921 C CG1 . VAL A 1 265 ? 57.207 13.990 2.940 1.00 13.67 ? 265 VAL A CG1 1 ATOM 1922 C CG2 . VAL A 1 265 ? 55.106 14.712 4.156 1.00 14.81 ? 265 VAL A CG2 1 ATOM 1923 N N . VAL A 1 266 ? 56.060 17.959 4.291 1.00 14.70 ? 266 VAL A N 1 ATOM 1924 C CA . VAL A 1 266 ? 56.404 18.699 5.500 1.00 14.02 ? 266 VAL A CA 1 ATOM 1925 C C . VAL A 1 266 ? 55.332 18.454 6.553 1.00 17.72 ? 266 VAL A C 1 ATOM 1926 O O . VAL A 1 266 ? 54.178 18.836 6.304 1.00 18.47 ? 266 VAL A O 1 ATOM 1927 C CB . VAL A 1 266 ? 56.499 20.210 5.259 1.00 13.46 ? 266 VAL A CB 1 ATOM 1928 C CG1 . VAL A 1 266 ? 56.875 20.957 6.539 1.00 21.16 ? 266 VAL A CG1 1 ATOM 1929 C CG2 . VAL A 1 266 ? 57.505 20.554 4.168 1.00 14.20 ? 266 VAL A CG2 1 ATOM 1930 N N . GLN A 1 267 ? 55.670 17.847 7.684 1.00 16.43 ? 267 GLN A N 1 ATOM 1931 C CA . GLN A 1 267 ? 54.645 17.514 8.665 1.00 16.50 ? 267 GLN A CA 1 ATOM 1932 C C . GLN A 1 267 ? 54.982 18.024 10.064 1.00 18.45 ? 267 GLN A C 1 ATOM 1933 O O . GLN A 1 267 ? 55.999 17.648 10.643 1.00 12.51 ? 267 GLN A O 1 ATOM 1934 C CB . GLN A 1 267 ? 54.426 16.014 8.784 1.00 15.82 ? 267 GLN A CB 1 ATOM 1935 C CG . GLN A 1 267 ? 53.950 15.350 7.498 1.00 23.91 ? 267 GLN A CG 1 ATOM 1936 C CD . GLN A 1 267 ? 54.013 13.834 7.638 1.00 23.50 ? 267 GLN A CD 1 ATOM 1937 O OE1 . GLN A 1 267 ? 55.096 13.255 7.683 1.00 20.44 ? 267 GLN A OE1 1 ATOM 1938 N NE2 . GLN A 1 267 ? 52.821 13.247 7.707 1.00 25.24 ? 267 GLN A NE2 1 ATOM 1939 N N . GLN A 1 268 ? 54.071 18.871 10.556 1.00 12.20 ? 268 GLN A N 1 ATOM 1940 C CA . GLN A 1 268 ? 54.241 19.389 11.902 1.00 12.20 ? 268 GLN A CA 1 ATOM 1941 C C . GLN A 1 268 ? 53.384 18.601 12.893 1.00 13.22 ? 268 GLN A C 1 ATOM 1942 O O . GLN A 1 268 ? 53.313 18.962 14.069 1.00 14.93 ? 268 GLN A O 1 ATOM 1943 C CB . GLN A 1 268 ? 54.019 20.904 11.956 1.00 15.96 ? 268 GLN A CB 1 ATOM 1944 C CG . GLN A 1 268 ? 55.156 21.684 11.305 1.00 11.58 ? 268 GLN A CG 1 ATOM 1945 C CD . GLN A 1 268 ? 55.040 23.185 11.468 1.00 12.52 ? 268 GLN A CD 1 ATOM 1946 O OE1 . GLN A 1 268 ? 53.945 23.724 11.356 1.00 14.60 ? 268 GLN A OE1 1 ATOM 1947 N NE2 . GLN A 1 268 ? 56.130 23.892 11.729 1.00 12.80 ? 268 GLN A NE2 1 ATOM 1948 N N . ASN A 1 269 ? 52.789 17.516 12.401 1.00 12.88 ? 269 ASN A N 1 ATOM 1949 C CA . ASN A 1 269 ? 52.094 16.590 13.286 1.00 14.19 ? 269 ASN A CA 1 ATOM 1950 C C . ASN A 1 269 ? 52.740 15.209 13.243 1.00 18.32 ? 269 ASN A C 1 ATOM 1951 O O . ASN A 1 269 ? 52.084 14.187 13.478 1.00 16.18 ? 269 ASN A O 1 ATOM 1952 C CB . ASN A 1 269 ? 50.612 16.471 12.945 1.00 16.13 ? 269 ASN A CB 1 ATOM 1953 C CG . ASN A 1 269 ? 50.331 16.140 11.499 1.00 15.92 ? 269 ASN A CG 1 ATOM 1954 O OD1 . ASN A 1 269 ? 51.218 16.033 10.666 1.00 14.92 ? 269 ASN A OD1 1 ATOM 1955 N ND2 . ASN A 1 269 ? 49.047 15.954 11.191 1.00 25.71 ? 269 ASN A ND2 1 ATOM 1956 N N . TYR A 1 270 ? 54.041 15.164 12.953 1.00 16.14 ? 270 TYR A N 1 ATOM 1957 C CA . TYR A 1 270 ? 54.728 13.876 12.954 1.00 19.59 ? 270 TYR A CA 1 ATOM 1958 C C . TYR A 1 270 ? 54.632 13.208 14.317 1.00 19.64 ? 270 TYR A C 1 ATOM 1959 O O . TYR A 1 270 ? 54.700 13.859 15.358 1.00 17.43 ? 270 TYR A O 1 ATOM 1960 C CB . TYR A 1 270 ? 56.199 14.028 12.579 1.00 21.78 ? 270 TYR A CB 1 ATOM 1961 C CG . TYR A 1 270 ? 56.856 12.682 12.366 1.00 22.28 ? 270 TYR A CG 1 ATOM 1962 C CD1 . TYR A 1 270 ? 57.606 12.107 13.378 1.00 24.54 ? 270 TYR A CD1 1 ATOM 1963 C CD2 . TYR A 1 270 ? 56.704 12.002 11.172 1.00 25.33 ? 270 TYR A CD2 1 ATOM 1964 C CE1 . TYR A 1 270 ? 58.196 10.870 13.183 1.00 27.26 ? 270 TYR A CE1 1 ATOM 1965 C CE2 . TYR A 1 270 ? 57.289 10.771 10.965 1.00 27.13 ? 270 TYR A CE2 1 ATOM 1966 C CZ . TYR A 1 270 ? 58.036 10.212 11.980 1.00 27.74 ? 270 TYR A CZ 1 ATOM 1967 O OH . TYR A 1 270 ? 58.624 8.987 11.777 1.00 37.24 ? 270 TYR A OH 1 ATOM 1968 N N . GLY A 1 271 ? 54.424 11.896 14.311 1.00 23.76 ? 271 GLY A N 1 ATOM 1969 C CA . GLY A 1 271 ? 54.172 11.229 15.592 1.00 25.05 ? 271 GLY A CA 1 ATOM 1970 C C . GLY A 1 271 ? 52.695 10.922 15.763 1.00 23.84 ? 271 GLY A C 1 ATOM 1971 O O . GLY A 1 271 ? 52.321 9.904 16.353 1.00 31.85 ? 271 GLY A O 1 ATOM 1972 N N . ASP A 1 272 ? 51.828 11.792 15.263 1.00 25.01 ? 272 ASP A N 1 ATOM 1973 C CA . ASP A 1 272 ? 50.388 11.567 15.335 1.00 26.29 ? 272 ASP A CA 1 ATOM 1974 C C . ASP A 1 272 ? 49.614 12.283 14.232 1.00 23.98 ? 272 ASP A C 1 ATOM 1975 O O . ASP A 1 272 ? 49.020 13.347 14.435 1.00 18.30 ? 272 ASP A O 1 ATOM 1976 C CB . ASP A 1 272 ? 49.807 12.017 16.680 1.00 27.66 ? 272 ASP A CB 1 ATOM 1977 C CG . ASP A 1 272 ? 48.325 11.662 16.759 1.00 25.73 ? 272 ASP A CG 1 ATOM 1978 O OD1 . ASP A 1 272 ? 47.852 10.894 15.897 1.00 21.82 ? 272 ASP A OD1 1 ATOM 1979 O OD2 . ASP A 1 272 ? 47.665 12.164 17.687 1.00 27.92 ? 272 ASP A OD2 1 ATOM 1980 N N . THR A 1 273 ? 49.622 11.681 13.047 1.00 23.25 ? 273 THR A N 1 ATOM 1981 C CA . THR A 1 273 ? 49.065 12.352 11.880 1.00 25.91 ? 273 THR A CA 1 ATOM 1982 C C . THR A 1 273 ? 47.550 12.375 11.885 1.00 27.19 ? 273 THR A C 1 ATOM 1983 O O . THR A 1 273 ? 46.936 12.993 11.017 1.00 28.59 ? 273 THR A O 1 ATOM 1984 C CB . THR A 1 273 ? 49.575 11.691 10.596 1.00 35.55 ? 273 THR A CB 1 ATOM 1985 O OG1 . THR A 1 273 ? 49.282 10.289 10.682 1.00 36.09 ? 273 THR A OG1 1 ATOM 1986 C CG2 . THR A 1 273 ? 51.084 11.854 10.495 1.00 30.28 ? 273 THR A CG2 1 ATOM 1987 N N . SER A 1 274 ? 46.925 11.739 12.877 1.00 29.93 ? 274 SER A N 1 ATOM 1988 C CA . SER A 1 274 ? 45.489 11.919 13.038 1.00 28.19 ? 274 SER A CA 1 ATOM 1989 C C . SER A 1 274 ? 45.182 13.206 13.793 1.00 30.63 ? 274 SER A C 1 ATOM 1990 O O . SER A 1 274 ? 44.013 13.577 13.928 1.00 33.81 ? 274 SER A O 1 ATOM 1991 C CB . SER A 1 274 ? 44.851 10.740 13.774 1.00 26.77 ? 274 SER A CB 1 ATOM 1992 O OG . SER A 1 274 ? 45.026 10.871 15.182 1.00 34.55 ? 274 SER A OG 1 ATOM 1993 N N . SER A 1 275 ? 46.189 13.908 14.322 1.00 30.68 ? 275 SER A N 1 ATOM 1994 C CA . SER A 1 275 ? 45.906 15.143 15.046 1.00 29.07 ? 275 SER A CA 1 ATOM 1995 C C . SER A 1 275 ? 46.329 16.363 14.227 1.00 27.52 ? 275 SER A C 1 ATOM 1996 O O . SER A 1 275 ? 47.098 16.287 13.273 1.00 27.62 ? 275 SER A O 1 ATOM 1997 C CB . SER A 1 275 ? 46.605 15.225 16.401 1.00 31.16 ? 275 SER A CB 1 ATOM 1998 O OG . SER A 1 275 ? 46.232 14.176 17.276 1.00 34.80 ? 275 SER A OG 1 ATOM 1999 N N . THR A 1 276 ? 45.812 17.514 14.649 1.00 24.55 ? 276 THR A N 1 ATOM 2000 C CA . THR A 1 276 ? 46.181 18.716 13.905 1.00 25.61 ? 276 THR A CA 1 ATOM 2001 C C . THR A 1 276 ? 47.616 19.109 14.250 1.00 21.11 ? 276 THR A C 1 ATOM 2002 O O . THR A 1 276 ? 48.054 18.985 15.391 1.00 17.07 ? 276 THR A O 1 ATOM 2003 C CB . THR A 1 276 ? 45.208 19.874 14.159 1.00 28.98 ? 276 THR A CB 1 ATOM 2004 O OG1 . THR A 1 276 ? 45.412 20.377 15.479 1.00 40.38 ? 276 THR A OG1 1 ATOM 2005 C CG2 . THR A 1 276 ? 43.763 19.383 14.116 1.00 41.72 ? 276 THR A CG2 1 ATOM 2006 N N . PRO A 1 277 ? 48.350 19.593 13.250 1.00 21.14 ? 277 PRO A N 1 ATOM 2007 C CA . PRO A 1 277 ? 49.708 20.078 13.479 1.00 18.32 ? 277 PRO A CA 1 ATOM 2008 C C . PRO A 1 277 ? 49.794 21.135 14.566 1.00 17.59 ? 277 PRO A C 1 ATOM 2009 O O . PRO A 1 277 ? 48.933 22.011 14.649 1.00 17.49 ? 277 PRO A O 1 ATOM 2010 C CB . PRO A 1 277 ? 50.094 20.750 12.155 1.00 20.25 ? 277 PRO A CB 1 ATOM 2011 C CG . PRO A 1 277 ? 49.198 20.154 11.125 1.00 19.36 ? 277 PRO A CG 1 ATOM 2012 C CD . PRO A 1 277 ? 47.943 19.761 11.845 1.00 18.06 ? 277 PRO A CD 1 ATOM 2013 N N . THR A 1 278 ? 50.860 21.083 15.365 1.00 18.91 ? 278 THR A N 1 ATOM 2014 C CA . THR A 1 278 ? 51.109 22.091 16.387 1.00 17.03 ? 278 THR A CA 1 ATOM 2015 C C . THR A 1 278 ? 52.172 23.080 15.948 1.00 15.87 ? 278 THR A C 1 ATOM 2016 O O . THR A 1 278 ? 52.772 22.962 14.878 1.00 13.87 ? 278 THR A O 1 ATOM 2017 C CB . THR A 1 278 ? 51.570 21.384 17.672 1.00 21.23 ? 278 THR A CB 1 ATOM 2018 O OG1 . THR A 1 278 ? 52.555 20.474 17.169 1.00 17.36 ? 278 THR A OG1 1 ATOM 2019 C CG2 . THR A 1 278 ? 50.442 20.603 18.311 1.00 22.35 ? 278 THR A CG2 1 ATOM 2020 N N . THR A 1 279 ? 52.404 24.094 16.773 1.00 17.11 ? 279 THR A N 1 ATOM 2021 C CA . THR A 1 279 ? 53.147 25.268 16.324 1.00 19.45 ? 279 THR A CA 1 ATOM 2022 C C . THR A 1 279 ? 54.466 25.509 17.039 1.00 13.63 ? 279 THR A C 1 ATOM 2023 O O . THR A 1 279 ? 55.102 26.547 16.844 1.00 15.66 ? 279 THR A O 1 ATOM 2024 C CB . THR A 1 279 ? 52.255 26.529 16.498 1.00 21.45 ? 279 THR A CB 1 ATOM 2025 O OG1 . THR A 1 279 ? 51.904 26.656 17.880 1.00 20.50 ? 279 THR A OG1 1 ATOM 2026 C CG2 . THR A 1 279 ? 50.978 26.401 15.679 1.00 19.06 ? 279 THR A CG2 1 ATOM 2027 N N . GLY A 1 280 ? 54.912 24.579 17.872 1.00 13.84 ? 280 GLY A N 1 ATOM 2028 C CA . GLY A 1 280 ? 56.119 24.706 18.642 1.00 10.33 ? 280 GLY A CA 1 ATOM 2029 C C . GLY A 1 280 ? 57.415 24.543 17.881 1.00 13.72 ? 280 GLY A C 1 ATOM 2030 O O . GLY A 1 280 ? 58.474 24.901 18.421 1.00 13.77 ? 280 GLY A O 1 ATOM 2031 N N . VAL A 1 281 ? 57.416 24.002 16.667 1.00 13.01 ? 281 VAL A N 1 ATOM 2032 C CA . VAL A 1 281 ? 58.644 23.848 15.890 1.00 12.30 ? 281 VAL A CA 1 ATOM 2033 C C . VAL A 1 281 ? 58.589 24.580 14.550 1.00 14.93 ? 281 VAL A C 1 ATOM 2034 O O . VAL A 1 281 ? 58.350 23.974 13.509 1.00 12.37 ? 281 VAL A O 1 ATOM 2035 C CB . VAL A 1 281 ? 58.989 22.376 15.606 1.00 12.73 ? 281 VAL A CB 1 ATOM 2036 C CG1 . VAL A 1 281 ? 60.433 22.284 15.130 1.00 13.70 ? 281 VAL A CG1 1 ATOM 2037 C CG2 . VAL A 1 281 ? 58.772 21.521 16.842 1.00 16.33 ? 281 VAL A CG2 1 ATOM 2038 N N . PRO A 1 282 ? 58.802 25.892 14.597 1.00 13.27 ? 282 PRO A N 1 ATOM 2039 C CA . PRO A 1 282 ? 58.674 26.729 13.408 1.00 14.28 ? 282 PRO A CA 1 ATOM 2040 C C . PRO A 1 282 ? 59.697 26.310 12.357 1.00 15.94 ? 282 PRO A C 1 ATOM 2041 O O . PRO A 1 282 ? 60.842 25.989 12.689 1.00 15.06 ? 282 PRO A O 1 ATOM 2042 C CB . PRO A 1 282 ? 58.996 28.144 13.888 1.00 15.72 ? 282 PRO A CB 1 ATOM 2043 C CG . PRO A 1 282 ? 59.687 27.973 15.194 1.00 17.22 ? 282 PRO A CG 1 ATOM 2044 C CD . PRO A 1 282 ? 59.189 26.685 15.777 1.00 13.93 ? 282 PRO A CD 1 ATOM 2045 N N . ILE A 1 283 ? 59.200 26.312 11.132 1.00 11.83 ? 283 ILE A N 1 ATOM 2046 C CA . ILE A 1 283 ? 60.028 25.997 9.977 1.00 10.03 ? 283 ILE A CA 1 ATOM 2047 C C . ILE A 1 283 ? 60.099 27.275 9.138 1.00 12.66 ? 283 ILE A C 1 ATOM 2048 O O . ILE A 1 283 ? 59.095 27.642 8.540 1.00 14.21 ? 283 ILE A O 1 ATOM 2049 C CB . ILE A 1 283 ? 59.480 24.819 9.174 1.00 12.22 ? 283 ILE A CB 1 ATOM 2050 C CG1 . ILE A 1 283 ? 59.414 23.518 9.989 1.00 15.62 ? 283 ILE A CG1 1 ATOM 2051 C CG2 . ILE A 1 283 ? 60.288 24.615 7.896 1.00 15.41 ? 283 ILE A CG2 1 ATOM 2052 C CD1 . ILE A 1 283 ? 58.456 22.489 9.406 1.00 12.97 ? 283 ILE A CD1 1 ATOM 2053 N N . THR A 1 284 ? 61.242 27.944 9.165 1.00 11.48 ? 284 THR A N 1 ATOM 2054 C CA . THR A 1 284 ? 61.389 29.202 8.453 1.00 11.81 ? 284 THR A CA 1 ATOM 2055 C C . THR A 1 284 ? 62.615 29.192 7.551 1.00 12.16 ? 284 THR A C 1 ATOM 2056 O O . THR A 1 284 ? 63.546 28.429 7.807 1.00 16.52 ? 284 THR A O 1 ATOM 2057 C CB . THR A 1 284 ? 61.533 30.382 9.435 1.00 15.24 ? 284 THR A CB 1 ATOM 2058 O OG1 . THR A 1 284 ? 62.697 30.145 10.235 1.00 18.25 ? 284 THR A OG1 1 ATOM 2059 C CG2 . THR A 1 284 ? 60.344 30.466 10.380 1.00 15.93 ? 284 THR A CG2 1 ATOM 2060 N N . ASP A 1 285 ? 62.622 30.052 6.545 1.00 13.25 ? 285 ASP A N 1 ATOM 2061 C CA . ASP A 1 285 ? 63.697 30.182 5.580 1.00 13.76 ? 285 ASP A CA 1 ATOM 2062 C C . ASP A 1 285 ? 64.026 28.833 4.949 1.00 16.46 ? 285 ASP A C 1 ATOM 2063 O O . ASP A 1 285 ? 65.176 28.415 4.932 1.00 16.97 ? 285 ASP A O 1 ATOM 2064 C CB . ASP A 1 285 ? 64.955 30.777 6.217 1.00 18.51 ? 285 ASP A CB 1 ATOM 2065 C CG . ASP A 1 285 ? 64.662 32.219 6.613 1.00 24.67 ? 285 ASP A CG 1 ATOM 2066 O OD1 . ASP A 1 285 ? 64.672 32.523 7.825 1.00 28.27 ? 285 ASP A OD1 1 ATOM 2067 O OD2 . ASP A 1 285 ? 64.385 33.009 5.676 1.00 29.78 ? 285 ASP A OD2 1 ATOM 2068 N N . PHE A 1 286 ? 62.984 28.199 4.449 1.00 13.89 ? 286 PHE A N 1 ATOM 2069 C CA . PHE A 1 286 ? 63.048 26.950 3.717 1.00 11.36 ? 286 PHE A CA 1 ATOM 2070 C C . PHE A 1 286 ? 62.989 27.258 2.225 1.00 16.15 ? 286 PHE A C 1 ATOM 2071 O O . PHE A 1 286 ? 62.022 27.850 1.746 1.00 10.19 ? 286 PHE A O 1 ATOM 2072 C CB . PHE A 1 286 ? 61.911 26.037 4.146 1.00 13.40 ? 286 PHE A CB 1 ATOM 2073 C CG . PHE A 1 286 ? 61.721 24.749 3.388 1.00 12.83 ? 286 PHE A CG 1 ATOM 2074 C CD1 . PHE A 1 286 ? 60.435 24.321 3.093 1.00 13.65 ? 286 PHE A CD1 1 ATOM 2075 C CD2 . PHE A 1 286 ? 62.793 23.971 2.993 1.00 11.76 ? 286 PHE A CD2 1 ATOM 2076 C CE1 . PHE A 1 286 ? 60.231 23.139 2.411 1.00 17.42 ? 286 PHE A CE1 1 ATOM 2077 C CE2 . PHE A 1 286 ? 62.590 22.797 2.305 1.00 17.36 ? 286 PHE A CE2 1 ATOM 2078 C CZ . PHE A 1 286 ? 61.308 22.369 2.013 1.00 14.36 ? 286 PHE A CZ 1 ATOM 2079 N N . VAL A 1 287 ? 64.061 26.850 1.549 1.00 13.51 ? 287 VAL A N 1 ATOM 2080 C CA . VAL A 1 287 ? 64.238 27.060 0.132 1.00 10.49 ? 287 VAL A CA 1 ATOM 2081 C C . VAL A 1 287 ? 64.358 25.780 -0.679 1.00 10.46 ? 287 VAL A C 1 ATOM 2082 O O . VAL A 1 287 ? 65.144 24.877 -0.396 1.00 9.14 ? 287 VAL A O 1 ATOM 2083 C CB . VAL A 1 287 ? 65.531 27.888 -0.091 1.00 12.50 ? 287 VAL A CB 1 ATOM 2084 C CG1 . VAL A 1 287 ? 65.764 28.090 -1.578 1.00 17.28 ? 287 VAL A CG1 1 ATOM 2085 C CG2 . VAL A 1 287 ? 65.424 29.201 0.650 1.00 14.73 ? 287 VAL A CG2 1 ATOM 2086 N N . LEU A 1 288 ? 63.571 25.671 -1.725 1.00 9.12 ? 288 LEU A N 1 ATOM 2087 C CA . LEU A 1 288 ? 63.654 24.684 -2.780 1.00 11.80 ? 288 LEU A CA 1 ATOM 2088 C C . LEU A 1 288 ? 64.035 25.443 -4.061 1.00 14.03 ? 288 LEU A C 1 ATOM 2089 O O . LEU A 1 288 ? 63.386 26.435 -4.405 1.00 10.45 ? 288 LEU A O 1 ATOM 2090 C CB . LEU A 1 288 ? 62.361 23.913 -2.999 1.00 13.65 ? 288 LEU A CB 1 ATOM 2091 C CG . LEU A 1 288 ? 61.710 23.177 -1.828 1.00 14.12 ? 288 LEU A CG 1 ATOM 2092 C CD1 . LEU A 1 288 ? 60.540 22.336 -2.319 1.00 15.35 ? 288 LEU A CD1 1 ATOM 2093 C CD2 . LEU A 1 288 ? 62.718 22.323 -1.074 1.00 19.30 ? 288 LEU A CD2 1 ATOM 2094 N N . ASP A 1 289 ? 65.094 24.999 -4.723 1.00 13.44 ? 289 ASP A N 1 ATOM 2095 C CA . ASP A 1 289 ? 65.579 25.653 -5.934 1.00 14.74 ? 289 ASP A CA 1 ATOM 2096 C C . ASP A 1 289 ? 65.975 24.613 -6.974 1.00 12.08 ? 289 ASP A C 1 ATOM 2097 O O . ASP A 1 289 ? 66.976 23.910 -6.854 1.00 12.07 ? 289 ASP A O 1 ATOM 2098 C CB . ASP A 1 289 ? 66.752 26.585 -5.621 1.00 15.87 ? 289 ASP A CB 1 ATOM 2099 C CG . ASP A 1 289 ? 67.190 27.390 -6.823 1.00 15.75 ? 289 ASP A CG 1 ATOM 2100 O OD1 . ASP A 1 289 ? 67.117 26.911 -7.968 1.00 22.48 ? 289 ASP A OD1 1 ATOM 2101 O OD2 . ASP A 1 289 ? 67.618 28.543 -6.659 1.00 22.89 ? 289 ASP A OD2 1 ATOM 2102 N N . ASN A 1 290 ? 65.174 24.511 -8.020 1.00 8.42 ? 290 ASN A N 1 ATOM 2103 C CA . ASN A 1 290 ? 65.426 23.529 -9.060 1.00 7.93 ? 290 ASN A CA 1 ATOM 2104 C C . ASN A 1 290 ? 65.331 22.102 -8.540 1.00 12.14 ? 290 ASN A C 1 ATOM 2105 O O . ASN A 1 290 ? 66.286 21.328 -8.637 1.00 10.20 ? 290 ASN A O 1 ATOM 2106 C CB . ASN A 1 290 ? 66.813 23.775 -9.665 1.00 13.02 ? 290 ASN A CB 1 ATOM 2107 C CG . ASN A 1 290 ? 66.868 23.245 -11.090 1.00 19.88 ? 290 ASN A CG 1 ATOM 2108 O OD1 . ASN A 1 290 ? 65.847 23.293 -11.775 1.00 18.32 ? 290 ASN A OD1 1 ATOM 2109 N ND2 . ASN A 1 290 ? 68.032 22.747 -11.507 1.00 18.94 ? 290 ASN A ND2 1 ATOM 2110 N N . VAL A 1 291 ? 64.161 21.787 -8.007 1.00 14.18 ? 291 VAL A N 1 ATOM 2111 C CA . VAL A 1 291 ? 63.772 20.481 -7.483 1.00 11.70 ? 291 VAL A CA 1 ATOM 2112 C C . VAL A 1 291 ? 62.657 19.939 -8.381 1.00 12.98 ? 291 VAL A C 1 ATOM 2113 O O . VAL A 1 291 ? 61.607 20.570 -8.515 1.00 10.52 ? 291 VAL A O 1 ATOM 2114 C CB . VAL A 1 291 ? 63.287 20.503 -6.028 1.00 10.99 ? 291 VAL A CB 1 ATOM 2115 C CG1 . VAL A 1 291 ? 62.844 19.109 -5.606 1.00 13.24 ? 291 VAL A CG1 1 ATOM 2116 C CG2 . VAL A 1 291 ? 64.383 21.018 -5.114 1.00 18.12 ? 291 VAL A CG2 1 ATOM 2117 N N . HIS A 1 292 ? 62.955 18.827 -9.028 1.00 13.10 ? 292 HIS A N 1 ATOM 2118 C CA . HIS A 1 292 ? 62.139 18.277 -10.086 1.00 10.89 ? 292 HIS A CA 1 ATOM 2119 C C . HIS A 1 292 ? 61.977 16.781 -9.900 1.00 14.32 ? 292 HIS A C 1 ATOM 2120 O O . HIS A 1 292 ? 62.926 16.061 -9.604 1.00 16.83 ? 292 HIS A O 1 ATOM 2121 C CB . HIS A 1 292 ? 62.748 18.507 -11.484 1.00 11.67 ? 292 HIS A CB 1 ATOM 2122 C CG . HIS A 1 292 ? 62.942 19.972 -11.739 1.00 11.74 ? 292 HIS A CG 1 ATOM 2123 N ND1 . HIS A 1 292 ? 61.967 20.739 -12.329 1.00 15.42 ? 292 HIS A ND1 1 ATOM 2124 C CD2 . HIS A 1 292 ? 63.958 20.823 -11.478 1.00 11.28 ? 292 HIS A CD2 1 ATOM 2125 C CE1 . HIS A 1 292 ? 62.369 21.989 -12.429 1.00 16.10 ? 292 HIS A CE1 1 ATOM 2126 N NE2 . HIS A 1 292 ? 63.585 22.069 -11.927 1.00 11.33 ? 292 HIS A NE2 1 ATOM 2127 N N . GLY A 1 293 ? 60.740 16.338 -10.144 1.00 14.09 ? 293 GLY A N 1 ATOM 2128 C CA . GLY A 1 293 ? 60.661 14.890 -10.320 1.00 23.81 ? 293 GLY A CA 1 ATOM 2129 C C . GLY A 1 293 ? 59.263 14.327 -10.396 1.00 17.40 ? 293 GLY A C 1 ATOM 2130 O O . GLY A 1 293 ? 58.280 15.051 -10.471 1.00 15.71 ? 293 GLY A O 1 ATOM 2131 N N . SER A 1 294 ? 59.263 12.998 -10.375 1.00 13.63 ? 294 SER A N 1 ATOM 2132 C CA . SER A 1 294 ? 58.037 12.284 -10.658 1.00 17.84 ? 294 SER A CA 1 ATOM 2133 C C . SER A 1 294 ? 57.648 11.409 -9.473 1.00 17.21 ? 294 SER A C 1 ATOM 2134 O O . SER A 1 294 ? 58.486 10.770 -8.846 1.00 16.76 ? 294 SER A O 1 ATOM 2135 C CB . SER A 1 294 ? 58.173 11.437 -11.925 1.00 19.52 ? 294 SER A CB 1 ATOM 2136 O OG . SER A 1 294 ? 59.367 10.676 -11.888 1.00 23.84 ? 294 SER A OG 1 ATOM 2137 N N . VAL A 1 295 ? 56.357 11.426 -9.202 1.00 17.99 ? 295 VAL A N 1 ATOM 2138 C CA . VAL A 1 295 ? 55.656 10.626 -8.222 1.00 13.55 ? 295 VAL A CA 1 ATOM 2139 C C . VAL A 1 295 ? 54.824 9.593 -8.973 1.00 17.68 ? 295 VAL A C 1 ATOM 2140 O O . VAL A 1 295 ? 54.240 9.907 -10.018 1.00 22.60 ? 295 VAL A O 1 ATOM 2141 C CB . VAL A 1 295 ? 54.797 11.539 -7.330 1.00 14.47 ? 295 VAL A CB 1 ATOM 2142 C CG1 . VAL A 1 295 ? 53.947 10.759 -6.340 1.00 16.65 ? 295 VAL A CG1 1 ATOM 2143 C CG2 . VAL A 1 295 ? 55.703 12.527 -6.597 1.00 16.88 ? 295 VAL A CG2 1 ATOM 2144 N N . VAL A 1 296 ? 54.774 8.363 -8.488 1.00 16.04 ? 296 VAL A N 1 ATOM 2145 C CA . VAL A 1 296 ? 53.920 7.374 -9.137 1.00 18.45 ? 296 VAL A CA 1 ATOM 2146 C C . VAL A 1 296 ? 52.460 7.776 -8.991 1.00 16.94 ? 296 VAL A C 1 ATOM 2147 O O . VAL A 1 296 ? 52.096 8.522 -8.083 1.00 14.74 ? 296 VAL A O 1 ATOM 2148 C CB . VAL A 1 296 ? 54.115 5.958 -8.564 1.00 20.18 ? 296 VAL A CB 1 ATOM 2149 C CG1 . VAL A 1 296 ? 55.607 5.604 -8.574 1.00 24.26 ? 296 VAL A CG1 1 ATOM 2150 C CG2 . VAL A 1 296 ? 53.517 5.826 -7.173 1.00 16.85 ? 296 VAL A CG2 1 ATOM 2151 N N . SER A 1 297 ? 51.628 7.269 -9.892 1.00 20.76 ? 297 SER A N 1 ATOM 2152 C CA . SER A 1 297 ? 50.235 7.715 -9.958 1.00 24.01 ? 297 SER A CA 1 ATOM 2153 C C . SER A 1 297 ? 49.508 7.503 -8.640 1.00 20.53 ? 297 SER A C 1 ATOM 2154 O O . SER A 1 297 ? 48.569 8.250 -8.367 1.00 24.57 ? 297 SER A O 1 ATOM 2155 C CB . SER A 1 297 ? 49.474 7.033 -11.102 1.00 22.89 ? 297 SER A CB 1 ATOM 2156 O OG . SER A 1 297 ? 49.568 5.626 -11.019 1.00 33.40 ? 297 SER A OG 1 ATOM 2157 N N . SER A 1 298 ? 49.925 6.532 -7.831 1.00 19.09 ? 298 SER A N 1 ATOM 2158 C CA . SER A 1 298 ? 49.228 6.297 -6.571 1.00 20.25 ? 298 SER A CA 1 ATOM 2159 C C . SER A 1 298 ? 49.746 7.130 -5.414 1.00 23.27 ? 298 SER A C 1 ATOM 2160 O O . SER A 1 298 ? 49.135 7.072 -4.337 1.00 22.43 ? 298 SER A O 1 ATOM 2161 C CB . SER A 1 298 ? 49.341 4.824 -6.152 1.00 25.18 ? 298 SER A CB 1 ATOM 2162 O OG . SER A 1 298 ? 50.665 4.334 -6.318 1.00 35.37 ? 298 SER A OG 1 ATOM 2163 N N . GLY A 1 299 ? 50.825 7.877 -5.617 1.00 23.90 ? 299 GLY A N 1 ATOM 2164 C CA . GLY A 1 299 ? 51.374 8.709 -4.554 1.00 19.90 ? 299 GLY A CA 1 ATOM 2165 C C . GLY A 1 299 ? 50.793 10.113 -4.619 1.00 15.67 ? 299 GLY A C 1 ATOM 2166 O O . GLY A 1 299 ? 49.938 10.400 -5.453 1.00 14.50 ? 299 GLY A O 1 ATOM 2167 N N . THR A 1 300 ? 51.270 10.976 -3.736 1.00 17.88 ? 300 THR A N 1 ATOM 2168 C CA . THR A 1 300 ? 50.880 12.378 -3.656 1.00 16.22 ? 300 THR A CA 1 ATOM 2169 C C . THR A 1 300 ? 52.084 13.260 -3.961 1.00 14.36 ? 300 THR A C 1 ATOM 2170 O O . THR A 1 300 ? 53.203 13.040 -3.492 1.00 12.19 ? 300 THR A O 1 ATOM 2171 C CB . THR A 1 300 ? 50.284 12.685 -2.270 1.00 18.62 ? 300 THR A CB 1 ATOM 2172 O OG1 . THR A 1 300 ? 49.138 11.838 -2.086 1.00 22.80 ? 300 THR A OG1 1 ATOM 2173 C CG2 . THR A 1 300 ? 49.802 14.119 -2.136 1.00 16.84 ? 300 THR A CG2 1 ATOM 2174 N N . ASN A 1 301 ? 51.859 14.277 -4.788 1.00 13.55 ? 301 ASN A N 1 ATOM 2175 C CA . ASN A 1 301 ? 52.939 15.164 -5.157 1.00 14.67 ? 301 ASN A CA 1 ATOM 2176 C C . ASN A 1 301 ? 53.526 15.869 -3.954 1.00 15.42 ? 301 ASN A C 1 ATOM 2177 O O . ASN A 1 301 ? 54.724 15.760 -3.732 1.00 14.03 ? 301 ASN A O 1 ATOM 2178 C CB . ASN A 1 301 ? 52.465 16.225 -6.158 1.00 18.09 ? 301 ASN A CB 1 ATOM 2179 C CG . ASN A 1 301 ? 52.078 15.712 -7.526 1.00 20.11 ? 301 ASN A CG 1 ATOM 2180 O OD1 . ASN A 1 301 ? 51.105 16.139 -8.180 1.00 22.83 ? 301 ASN A OD1 1 ATOM 2181 N ND2 . ASN A 1 301 ? 52.855 14.797 -8.068 1.00 17.18 ? 301 ASN A ND2 1 ATOM 2182 N N . ILE A 1 302 ? 52.655 16.622 -3.282 1.00 10.78 ? 302 ILE A N 1 ATOM 2183 C CA . ILE A 1 302 ? 53.077 17.500 -2.207 1.00 14.80 ? 302 ILE A CA 1 ATOM 2184 C C . ILE A 1 302 ? 52.088 17.411 -1.048 1.00 19.79 ? 302 ILE A C 1 ATOM 2185 O O . ILE A 1 302 ? 50.887 17.520 -1.293 1.00 17.31 ? 302 ILE A O 1 ATOM 2186 C CB . ILE A 1 302 ? 53.226 18.950 -2.710 1.00 12.05 ? 302 ILE A CB 1 ATOM 2187 C CG1 . ILE A 1 302 ? 54.232 19.054 -3.854 1.00 13.48 ? 302 ILE A CG1 1 ATOM 2188 C CG2 . ILE A 1 302 ? 53.579 19.892 -1.573 1.00 13.84 ? 302 ILE A CG2 1 ATOM 2189 C CD1 . ILE A 1 302 ? 54.333 20.380 -4.551 1.00 15.76 ? 302 ILE A CD1 1 ATOM 2190 N N . LEU A 1 303 ? 52.596 17.201 0.161 1.00 18.01 ? 303 LEU A N 1 ATOM 2191 C CA . LEU A 1 303 ? 51.793 17.357 1.360 1.00 15.82 ? 303 LEU A CA 1 ATOM 2192 C C . LEU A 1 303 ? 52.450 18.348 2.315 1.00 15.14 ? 303 LEU A C 1 ATOM 2193 O O . LEU A 1 303 ? 53.567 18.091 2.773 1.00 19.11 ? 303 LEU A O 1 ATOM 2194 C CB . LEU A 1 303 ? 51.574 16.035 2.087 1.00 18.41 ? 303 LEU A CB 1 ATOM 2195 C CG . LEU A 1 303 ? 50.777 16.112 3.385 1.00 17.96 ? 303 LEU A CG 1 ATOM 2196 C CD1 . LEU A 1 303 ? 49.370 16.627 3.104 1.00 22.25 ? 303 LEU A CD1 1 ATOM 2197 C CD2 . LEU A 1 303 ? 50.776 14.761 4.087 1.00 20.04 ? 303 LEU A CD2 1 ATOM 2198 N N . ILE A 1 304 ? 51.765 19.446 2.601 1.00 11.91 ? 304 ILE A N 1 ATOM 2199 C CA . ILE A 1 304 ? 52.223 20.404 3.609 1.00 14.46 ? 304 ILE A CA 1 ATOM 2200 C C . ILE A 1 304 ? 51.237 20.454 4.769 1.00 19.80 ? 304 ILE A C 1 ATOM 2201 O O . ILE A 1 304 ? 50.130 20.980 4.595 1.00 20.00 ? 304 ILE A O 1 ATOM 2202 C CB . ILE A 1 304 ? 52.390 21.795 2.982 1.00 15.63 ? 304 ILE A CB 1 ATOM 2203 C CG1 . ILE A 1 304 ? 53.518 21.854 1.941 1.00 19.71 ? 304 ILE A CG1 1 ATOM 2204 C CG2 . ILE A 1 304 ? 52.589 22.850 4.050 1.00 16.21 ? 304 ILE A CG2 1 ATOM 2205 C CD1 . ILE A 1 304 ? 53.298 22.937 0.902 1.00 25.20 ? 304 ILE A CD1 1 ATOM 2206 N N . SER A 1 305 ? 51.603 19.920 5.930 1.00 14.46 ? 305 SER A N 1 ATOM 2207 C CA . SER A 1 305 ? 50.781 19.953 7.129 1.00 12.64 ? 305 SER A CA 1 ATOM 2208 C C . SER A 1 305 ? 51.431 20.847 8.183 1.00 14.33 ? 305 SER A C 1 ATOM 2209 O O . SER A 1 305 ? 52.103 20.386 9.104 1.00 14.45 ? 305 SER A O 1 ATOM 2210 C CB . SER A 1 305 ? 50.536 18.583 7.764 1.00 15.88 ? 305 SER A CB 1 ATOM 2211 O OG . SER A 1 305 ? 50.018 17.677 6.806 1.00 20.89 ? 305 SER A OG 1 ATOM 2212 N N . CYS A 1 306 ? 51.205 22.136 8.002 1.00 12.74 ? 306 CYS A N 1 ATOM 2213 C CA . CYS A 1 306 ? 51.762 23.122 8.904 1.00 13.64 ? 306 CYS A CA 1 ATOM 2214 C C . CYS A 1 306 ? 50.736 23.566 9.942 1.00 13.89 ? 306 CYS A C 1 ATOM 2215 O O . CYS A 1 306 ? 49.540 23.571 9.661 1.00 16.17 ? 306 CYS A O 1 ATOM 2216 C CB . CYS A 1 306 ? 52.206 24.359 8.133 1.00 11.43 ? 306 CYS A CB 1 ATOM 2217 S SG . CYS A 1 306 ? 53.758 24.149 7.242 1.00 13.78 ? 306 CYS A SG 1 ATOM 2218 N N . GLY A 1 307 ? 51.289 23.930 11.089 1.00 17.46 ? 307 GLY A N 1 ATOM 2219 C CA . GLY A 1 307 ? 50.618 24.621 12.154 1.00 19.79 ? 307 GLY A CA 1 ATOM 2220 C C . GLY A 1 307 ? 50.287 26.056 11.780 1.00 20.69 ? 307 GLY A C 1 ATOM 2221 O O . GLY A 1 307 ? 50.842 26.652 10.859 1.00 20.13 ? 307 GLY A O 1 ATOM 2222 N N . SER A 1 308 ? 49.350 26.643 12.513 1.00 17.10 ? 308 SER A N 1 ATOM 2223 C CA . SER A 1 308 ? 48.946 28.008 12.228 1.00 20.67 ? 308 SER A CA 1 ATOM 2224 C C . SER A 1 308 ? 50.070 28.974 12.566 1.00 15.94 ? 308 SER A C 1 ATOM 2225 O O . SER A 1 308 ? 50.379 29.158 13.736 1.00 18.59 ? 308 SER A O 1 ATOM 2226 C CB . SER A 1 308 ? 47.670 28.307 13.031 1.00 25.95 ? 308 SER A CB 1 ATOM 2227 O OG . SER A 1 308 ? 47.396 29.705 12.960 1.00 42.10 ? 308 SER A OG 1 ATOM 2228 N N . GLY A 1 309 ? 50.675 29.587 11.554 1.00 15.10 ? 309 GLY A N 1 ATOM 2229 C CA . GLY A 1 309 ? 51.748 30.517 11.772 1.00 19.53 ? 309 GLY A CA 1 ATOM 2230 C C . GLY A 1 309 ? 53.120 29.900 11.912 1.00 19.29 ? 309 GLY A C 1 ATOM 2231 O O . GLY A 1 309 ? 54.102 30.646 11.919 1.00 21.25 ? 309 GLY A O 1 ATOM 2232 N N . SER A 1 310 ? 53.245 28.575 11.988 1.00 19.16 ? 310 SER A N 1 ATOM 2233 C CA . SER A 1 310 ? 54.553 27.991 12.307 1.00 17.78 ? 310 SER A CA 1 ATOM 2234 C C . SER A 1 310 ? 55.357 27.598 11.077 1.00 14.79 ? 310 SER A C 1 ATOM 2235 O O . SER A 1 310 ? 56.389 26.938 11.184 1.00 14.53 ? 310 SER A O 1 ATOM 2236 C CB . SER A 1 310 ? 54.337 26.799 13.246 1.00 16.71 ? 310 SER A CB 1 ATOM 2237 O OG . SER A 1 310 ? 53.331 25.943 12.713 1.00 15.48 ? 310 SER A OG 1 ATOM 2238 N N . CYS A 1 311 ? 54.916 28.017 9.902 1.00 14.06 ? 311 CYS A N 1 ATOM 2239 C CA . CYS A 1 311 ? 55.668 27.899 8.667 1.00 16.53 ? 311 CYS A CA 1 ATOM 2240 C C . CYS A 1 311 ? 55.684 29.237 7.933 1.00 16.54 ? 311 CYS A C 1 ATOM 2241 O O . CYS A 1 311 ? 54.619 29.715 7.551 1.00 16.14 ? 311 CYS A O 1 ATOM 2242 C CB . CYS A 1 311 ? 55.075 26.863 7.722 1.00 15.47 ? 311 CYS A CB 1 ATOM 2243 S SG . CYS A 1 311 ? 55.072 25.194 8.369 1.00 12.35 ? 311 CYS A SG 1 ATOM 2244 N N . SER A 1 312 ? 56.862 29.823 7.745 1.00 17.65 ? 312 SER A N 1 ATOM 2245 C CA . SER A 1 312 ? 56.907 31.117 7.078 1.00 17.99 ? 312 SER A CA 1 ATOM 2246 C C . SER A 1 312 ? 58.246 31.345 6.393 1.00 16.38 ? 312 SER A C 1 ATOM 2247 O O . SER A 1 312 ? 59.257 30.741 6.722 1.00 14.14 ? 312 SER A O 1 ATOM 2248 C CB . SER A 1 312 ? 56.665 32.281 8.046 1.00 24.44 ? 312 SER A CB 1 ATOM 2249 O OG . SER A 1 312 ? 57.552 32.238 9.150 1.00 22.60 ? 312 SER A OG 1 ATOM 2250 N N . ASP A 1 313 ? 58.192 32.270 5.441 1.00 17.07 ? 313 ASP A N 1 ATOM 2251 C CA . ASP A 1 313 ? 59.422 32.657 4.763 1.00 16.83 ? 313 ASP A CA 1 ATOM 2252 C C . ASP A 1 313 ? 59.998 31.483 3.976 1.00 17.89 ? 313 ASP A C 1 ATOM 2253 O O . ASP A 1 313 ? 61.165 31.121 4.135 1.00 16.17 ? 313 ASP A O 1 ATOM 2254 C CB . ASP A 1 313 ? 60.436 33.161 5.793 1.00 22.57 ? 313 ASP A CB 1 ATOM 2255 C CG . ASP A 1 313 ? 60.026 34.506 6.365 1.00 28.29 ? 313 ASP A CG 1 ATOM 2256 O OD1 . ASP A 1 313 ? 60.221 34.739 7.574 1.00 34.64 ? 313 ASP A OD1 1 ATOM 2257 O OD2 . ASP A 1 313 ? 59.497 35.327 5.596 1.00 29.61 ? 313 ASP A OD2 1 ATOM 2258 N N . TRP A 1 314 ? 59.148 30.890 3.141 1.00 14.85 ? 314 TRP A N 1 ATOM 2259 C CA . TRP A 1 314 ? 59.608 29.868 2.219 1.00 17.77 ? 314 TRP A CA 1 ATOM 2260 C C . TRP A 1 314 ? 59.816 30.468 0.824 1.00 21.50 ? 314 TRP A C 1 ATOM 2261 O O . TRP A 1 314 ? 59.048 31.318 0.380 1.00 12.35 ? 314 TRP A O 1 ATOM 2262 C CB . TRP A 1 314 ? 58.606 28.717 2.136 1.00 14.81 ? 314 TRP A CB 1 ATOM 2263 C CG . TRP A 1 314 ? 58.440 27.949 3.410 1.00 10.84 ? 314 TRP A CG 1 ATOM 2264 C CD1 . TRP A 1 314 ? 58.911 28.280 4.648 1.00 11.98 ? 314 TRP A CD1 1 ATOM 2265 C CD2 . TRP A 1 314 ? 57.737 26.714 3.570 1.00 12.92 ? 314 TRP A CD2 1 ATOM 2266 N NE1 . TRP A 1 314 ? 58.538 27.322 5.562 1.00 12.19 ? 314 TRP A NE1 1 ATOM 2267 C CE2 . TRP A 1 314 ? 57.822 26.350 4.927 1.00 9.31 ? 314 TRP A CE2 1 ATOM 2268 C CE3 . TRP A 1 314 ? 57.040 25.874 2.696 1.00 14.99 ? 314 TRP A CE3 1 ATOM 2269 C CZ2 . TRP A 1 314 ? 57.244 25.198 5.433 1.00 10.65 ? 314 TRP A CZ2 1 ATOM 2270 C CZ3 . TRP A 1 314 ? 56.470 24.734 3.209 1.00 13.16 ? 314 TRP A CZ3 1 ATOM 2271 C CH2 . TRP A 1 314 ? 56.566 24.400 4.559 1.00 11.28 ? 314 TRP A CH2 1 ATOM 2272 N N . THR A 1 315 ? 60.846 29.968 0.146 1.00 17.33 ? 315 THR A N 1 ATOM 2273 C CA . THR A 1 315 ? 61.054 30.324 -1.252 1.00 15.37 ? 315 THR A CA 1 ATOM 2274 C C . THR A 1 315 ? 61.202 29.064 -2.101 1.00 12.52 ? 315 THR A C 1 ATOM 2275 O O . THR A 1 315 ? 62.083 28.242 -1.874 1.00 11.70 ? 315 THR A O 1 ATOM 2276 C CB . THR A 1 315 ? 62.300 31.205 -1.448 1.00 19.89 ? 315 THR A CB 1 ATOM 2277 O OG1 . THR A 1 315 ? 62.242 32.327 -0.570 1.00 16.35 ? 315 THR A OG1 1 ATOM 2278 C CG2 . THR A 1 315 ? 62.304 31.752 -2.868 1.00 24.76 ? 315 THR A CG2 1 ATOM 2279 N N . TRP A 1 316 ? 60.322 28.918 -3.065 1.00 11.24 ? 316 TRP A N 1 ATOM 2280 C CA . TRP A 1 316 ? 60.230 27.757 -3.931 1.00 14.03 ? 316 TRP A CA 1 ATOM 2281 C C . TRP A 1 316 ? 60.396 28.245 -5.365 1.00 16.17 ? 316 TRP A C 1 ATOM 2282 O O . TRP A 1 316 ? 59.470 28.822 -5.925 1.00 17.42 ? 316 TRP A O 1 ATOM 2283 C CB . TRP A 1 316 ? 58.894 27.054 -3.719 1.00 15.58 ? 316 TRP A CB 1 ATOM 2284 C CG . TRP A 1 316 ? 58.804 26.207 -2.486 1.00 11.77 ? 316 TRP A CG 1 ATOM 2285 C CD1 . TRP A 1 316 ? 59.539 26.292 -1.340 1.00 13.04 ? 316 TRP A CD1 1 ATOM 2286 C CD2 . TRP A 1 316 ? 57.885 25.114 -2.292 1.00 14.48 ? 316 TRP A CD2 1 ATOM 2287 N NE1 . TRP A 1 316 ? 59.135 25.321 -0.446 1.00 14.92 ? 316 TRP A NE1 1 ATOM 2288 C CE2 . TRP A 1 316 ? 58.122 24.585 -1.010 1.00 13.86 ? 316 TRP A CE2 1 ATOM 2289 C CE3 . TRP A 1 316 ? 56.880 24.535 -3.083 1.00 17.76 ? 316 TRP A CE3 1 ATOM 2290 C CZ2 . TRP A 1 316 ? 57.394 23.505 -0.503 1.00 18.66 ? 316 TRP A CZ2 1 ATOM 2291 C CZ3 . TRP A 1 316 ? 56.156 23.462 -2.591 1.00 18.98 ? 316 TRP A CZ3 1 ATOM 2292 C CH2 . TRP A 1 316 ? 56.423 22.968 -1.307 1.00 21.54 ? 316 TRP A CH2 1 ATOM 2293 N N . THR A 1 317 ? 61.583 28.037 -5.897 1.00 12.90 ? 317 THR A N 1 ATOM 2294 C CA . THR A 1 317 ? 62.020 28.522 -7.198 1.00 15.58 ? 317 THR A CA 1 ATOM 2295 C C . THR A 1 317 ? 62.174 27.396 -8.200 1.00 14.31 ? 317 THR A C 1 ATOM 2296 O O . THR A 1 317 ? 62.979 26.513 -7.885 1.00 13.38 ? 317 THR A O 1 ATOM 2297 C CB . THR A 1 317 ? 63.377 29.244 -6.997 1.00 17.36 ? 317 THR A CB 1 ATOM 2298 O OG1 . THR A 1 317 ? 63.183 30.360 -6.116 1.00 11.88 ? 317 THR A OG1 1 ATOM 2299 C CG2 . THR A 1 317 ? 63.942 29.818 -8.279 1.00 15.91 ? 317 THR A CG2 1 ATOM 2300 N N . ASP A 1 318 ? 61.511 27.340 -9.350 1.00 9.43 ? 318 ASP A N 1 ATOM 2301 C CA . ASP A 1 318 ? 61.751 26.292 -10.331 1.00 11.13 ? 318 ASP A CA 1 ATOM 2302 C C . ASP A 1 318 ? 61.540 24.909 -9.717 1.00 13.12 ? 318 ASP A C 1 ATOM 2303 O O . ASP A 1 318 ? 62.425 24.054 -9.741 1.00 11.60 ? 318 ASP A O 1 ATOM 2304 C CB . ASP A 1 318 ? 63.172 26.331 -10.892 1.00 16.60 ? 318 ASP A CB 1 ATOM 2305 C CG . ASP A 1 318 ? 63.397 27.519 -11.811 1.00 19.39 ? 318 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 318 ? 62.404 28.070 -12.326 1.00 13.32 ? 318 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 318 ? 64.578 27.863 -12.011 1.00 14.58 ? 318 ASP A OD2 1 ATOM 2308 N N . VAL A 1 319 ? 60.347 24.719 -9.181 1.00 12.61 ? 319 VAL A N 1 ATOM 2309 C CA . VAL A 1 319 ? 60.002 23.451 -8.541 1.00 12.40 ? 319 VAL A CA 1 ATOM 2310 C C . VAL A 1 319 ? 58.958 22.784 -9.407 1.00 14.51 ? 319 VAL A C 1 ATOM 2311 O O . VAL A 1 319 ? 58.020 23.443 -9.846 1.00 15.36 ? 319 VAL A O 1 ATOM 2312 C CB . VAL A 1 319 ? 59.482 23.652 -7.117 1.00 13.35 ? 319 VAL A CB 1 ATOM 2313 C CG1 . VAL A 1 319 ? 58.923 22.371 -6.516 1.00 22.85 ? 319 VAL A CG1 1 ATOM 2314 C CG2 . VAL A 1 319 ? 60.614 24.191 -6.238 1.00 17.46 ? 319 VAL A CG2 1 ATOM 2315 N N . SER A 1 320 ? 59.155 21.495 -9.656 1.00 11.60 ? 320 SER A N 1 ATOM 2316 C CA . SER A 1 320 ? 58.092 20.825 -10.418 1.00 16.51 ? 320 SER A CA 1 ATOM 2317 C C . SER A 1 320 ? 58.055 19.359 -10.031 1.00 15.20 ? 320 SER A C 1 ATOM 2318 O O . SER A 1 320 ? 58.986 18.610 -10.293 1.00 16.23 ? 320 SER A O 1 ATOM 2319 C CB . SER A 1 320 ? 58.346 21.046 -11.903 1.00 15.37 ? 320 SER A CB 1 ATOM 2320 O OG . SER A 1 320 ? 57.842 19.998 -12.676 1.00 17.87 ? 320 SER A OG 1 ATOM 2321 N N . VAL A 1 321 ? 56.986 18.977 -9.367 1.00 15.13 ? 321 VAL A N 1 ATOM 2322 C CA . VAL A 1 321 ? 56.719 17.608 -8.945 1.00 19.27 ? 321 VAL A CA 1 ATOM 2323 C C . VAL A 1 321 ? 55.407 17.150 -9.560 1.00 19.05 ? 321 VAL A C 1 ATOM 2324 O O . VAL A 1 321 ? 54.351 17.737 -9.296 1.00 22.01 ? 321 VAL A O 1 ATOM 2325 C CB . VAL A 1 321 ? 56.641 17.526 -7.408 1.00 22.86 ? 321 VAL A CB 1 ATOM 2326 C CG1 . VAL A 1 321 ? 56.336 16.101 -6.963 1.00 21.81 ? 321 VAL A CG1 1 ATOM 2327 C CG2 . VAL A 1 321 ? 57.916 18.080 -6.796 1.00 20.94 ? 321 VAL A CG2 1 ATOM 2328 N N . SER A 1 322 ? 55.412 16.130 -10.408 1.00 20.04 ? 322 SER A N 1 ATOM 2329 C CA . SER A 1 322 ? 54.167 15.716 -11.053 1.00 21.12 ? 322 SER A CA 1 ATOM 2330 C C . SER A 1 322 ? 54.093 14.197 -11.119 1.00 15.90 ? 322 SER A C 1 ATOM 2331 O O . SER A 1 322 ? 55.077 13.527 -10.810 1.00 14.85 ? 322 SER A O 1 ATOM 2332 C CB . SER A 1 322 ? 54.081 16.307 -12.463 1.00 23.15 ? 322 SER A CB 1 ATOM 2333 O OG . SER A 1 322 ? 55.218 15.904 -13.207 1.00 21.91 ? 322 SER A OG 1 ATOM 2334 N N . GLY A 1 323 ? 52.934 13.684 -11.507 1.00 18.36 ? 323 GLY A N 1 ATOM 2335 C CA . GLY A 1 323 ? 52.719 12.272 -11.739 1.00 22.13 ? 323 GLY A CA 1 ATOM 2336 C C . GLY A 1 323 ? 51.683 11.605 -10.848 1.00 18.96 ? 323 GLY A C 1 ATOM 2337 O O . GLY A 1 323 ? 50.970 10.668 -11.212 1.00 20.56 ? 323 GLY A O 1 ATOM 2338 N N . GLY A 1 324 ? 51.553 12.053 -9.637 1.00 20.23 ? 324 GLY A N 1 ATOM 2339 C CA . GLY A 1 324 ? 50.702 11.837 -8.540 1.00 18.32 ? 324 GLY A CA 1 ATOM 2340 C C . GLY A 1 324 ? 49.473 12.709 -8.344 1.00 21.41 ? 324 GLY A C 1 ATOM 2341 O O . GLY A 1 324 ? 49.158 13.616 -9.106 1.00 21.67 ? 324 GLY A O 1 ATOM 2342 N N . LYS A 1 325 ? 48.732 12.406 -7.279 1.00 20.21 ? 325 LYS A N 1 ATOM 2343 C CA . LYS A 1 325 ? 47.552 13.110 -6.851 1.00 19.37 ? 325 LYS A CA 1 ATOM 2344 C C . LYS A 1 325 ? 47.912 14.462 -6.260 1.00 18.75 ? 325 LYS A C 1 ATOM 2345 O O . LYS A 1 325 ? 48.952 14.595 -5.621 1.00 21.28 ? 325 LYS A O 1 ATOM 2346 C CB . LYS A 1 325 ? 46.811 12.330 -5.763 1.00 27.16 ? 325 LYS A CB 1 ATOM 2347 C CG . LYS A 1 325 ? 46.644 10.854 -6.059 1.00 34.10 ? 325 LYS A CG 1 ATOM 2348 C CD . LYS A 1 325 ? 45.764 10.147 -5.038 1.00 35.88 ? 325 LYS A CD 1 ATOM 2349 C CE . LYS A 1 325 ? 46.381 8.817 -4.590 1.00 37.49 ? 325 LYS A CE 1 ATOM 2350 N NZ . LYS A 1 325 ? 45.381 7.756 -4.371 1.00 47.44 ? 325 LYS A NZ 1 ATOM 2351 N N . THR A 1 326 ? 47.051 15.430 -6.480 1.00 18.57 ? 326 THR A N 1 ATOM 2352 C CA . THR A 1 326 ? 47.218 16.711 -5.792 1.00 24.44 ? 326 THR A CA 1 ATOM 2353 C C . THR A 1 326 ? 46.501 16.560 -4.460 1.00 25.10 ? 326 THR A C 1 ATOM 2354 O O . THR A 1 326 ? 45.394 16.029 -4.470 1.00 24.07 ? 326 THR A O 1 ATOM 2355 C CB . THR A 1 326 ? 46.655 17.903 -6.584 1.00 24.97 ? 326 THR A CB 1 ATOM 2356 O OG1 . THR A 1 326 ? 47.481 18.080 -7.755 1.00 27.71 ? 326 THR A OG1 1 ATOM 2357 C CG2 . THR A 1 326 ? 46.746 19.191 -5.774 1.00 31.26 ? 326 THR A CG2 1 ATOM 2358 N N . SER A 1 327 ? 47.115 16.986 -3.367 1.00 25.82 ? 327 SER A N 1 ATOM 2359 C CA . SER A 1 327 ? 46.456 16.773 -2.082 1.00 22.93 ? 327 SER A CA 1 ATOM 2360 C C . SER A 1 327 ? 45.441 17.895 -1.826 1.00 26.65 ? 327 SER A C 1 ATOM 2361 O O . SER A 1 327 ? 45.612 19.032 -2.245 1.00 24.77 ? 327 SER A O 1 ATOM 2362 C CB . SER A 1 327 ? 47.458 16.710 -0.944 1.00 22.02 ? 327 SER A CB 1 ATOM 2363 O OG . SER A 1 327 ? 46.842 16.660 0.328 1.00 22.33 ? 327 SER A OG 1 ATOM 2364 N N . SER A 1 328 ? 44.391 17.503 -1.122 1.00 30.29 ? 328 SER A N 1 ATOM 2365 C CA . SER A 1 328 ? 43.398 18.446 -0.660 1.00 34.68 ? 328 SER A CA 1 ATOM 2366 C C . SER A 1 328 ? 43.431 18.545 0.860 1.00 31.18 ? 328 SER A C 1 ATOM 2367 O O . SER A 1 328 ? 42.523 19.133 1.447 1.00 39.56 ? 328 SER A O 1 ATOM 2368 C CB . SER A 1 328 ? 41.995 18.047 -1.135 1.00 43.76 ? 328 SER A CB 1 ATOM 2369 O OG . SER A 1 328 ? 41.706 16.705 -0.705 1.00 42.04 ? 328 SER A OG 1 ATOM 2370 N N . LYS A 1 329 ? 44.455 17.975 1.483 1.00 31.12 ? 329 LYS A N 1 ATOM 2371 C CA . LYS A 1 329 ? 44.535 18.014 2.939 1.00 34.98 ? 329 LYS A CA 1 ATOM 2372 C C . LYS A 1 329 ? 45.676 18.897 3.449 1.00 30.42 ? 329 LYS A C 1 ATOM 2373 O O . LYS A 1 329 ? 46.057 18.789 4.618 1.00 28.43 ? 329 LYS A O 1 ATOM 2374 C CB . LYS A 1 329 ? 44.724 16.593 3.499 1.00 39.02 ? 329 LYS A CB 1 ATOM 2375 C CG . LYS A 1 329 ? 43.425 15.801 3.482 1.00 49.48 ? 329 LYS A CG 1 ATOM 2376 C CD . LYS A 1 329 ? 43.177 15.130 2.135 1.00 58.74 ? 329 LYS A CD 1 ATOM 2377 C CE . LYS A 1 329 ? 42.552 13.749 2.341 1.00 66.85 ? 329 LYS A CE 1 ATOM 2378 N NZ . LYS A 1 329 ? 41.270 13.834 3.116 1.00 62.34 ? 329 LYS A NZ 1 ATOM 2379 N N . CYS A 1 330 ? 46.213 19.773 2.603 1.00 24.68 ? 330 CYS A N 1 ATOM 2380 C CA . CYS A 1 330 ? 47.290 20.654 3.036 1.00 17.28 ? 330 CYS A CA 1 ATOM 2381 C C . CYS A 1 330 ? 46.753 21.771 3.918 1.00 21.05 ? 330 CYS A C 1 ATOM 2382 O O . CYS A 1 330 ? 45.680 22.293 3.633 1.00 20.88 ? 330 CYS A O 1 ATOM 2383 C CB . CYS A 1 330 ? 48.031 21.269 1.857 1.00 14.35 ? 330 CYS A CB 1 ATOM 2384 S SG . CYS A 1 330 ? 48.965 20.073 0.885 1.00 16.13 ? 330 CYS A SG 1 ATOM 2385 N N . THR A 1 331 ? 47.506 22.114 4.958 1.00 17.94 ? 331 THR A N 1 ATOM 2386 C CA . THR A 1 331 ? 47.070 23.128 5.901 1.00 18.03 ? 331 THR A CA 1 ATOM 2387 C C . THR A 1 331 ? 48.156 24.182 6.102 1.00 15.43 ? 331 THR A C 1 ATOM 2388 O O . THR A 1 331 ? 49.337 23.851 6.188 1.00 15.50 ? 331 THR A O 1 ATOM 2389 C CB . THR A 1 331 ? 46.717 22.566 7.296 1.00 22.42 ? 331 THR A CB 1 ATOM 2390 O OG1 . THR A 1 331 ? 47.882 21.977 7.875 1.00 22.70 ? 331 THR A OG1 1 ATOM 2391 C CG2 . THR A 1 331 ? 45.660 21.476 7.227 1.00 19.45 ? 331 THR A CG2 1 ATOM 2392 N N . ASN A 1 332 ? 47.728 25.423 6.173 1.00 16.26 ? 332 ASN A N 1 ATOM 2393 C CA . ASN A 1 332 ? 48.520 26.591 6.503 1.00 15.85 ? 332 ASN A CA 1 ATOM 2394 C C . ASN A 1 332 ? 49.774 26.693 5.644 1.00 22.08 ? 332 ASN A C 1 ATOM 2395 O O . ASN A 1 332 ? 50.874 26.911 6.145 1.00 19.71 ? 332 ASN A O 1 ATOM 2396 C CB . ASN A 1 332 ? 48.894 26.564 7.989 1.00 17.34 ? 332 ASN A CB 1 ATOM 2397 C CG . ASN A 1 332 ? 47.668 26.615 8.887 1.00 22.33 ? 332 ASN A CG 1 ATOM 2398 O OD1 . ASN A 1 332 ? 46.882 27.559 8.772 1.00 19.99 ? 332 ASN A OD1 1 ATOM 2399 N ND2 . ASN A 1 332 ? 47.498 25.625 9.759 1.00 17.44 ? 332 ASN A ND2 1 ATOM 2400 N N . VAL A 1 333 ? 49.589 26.535 4.337 1.00 20.28 ? 333 VAL A N 1 ATOM 2401 C CA . VAL A 1 333 ? 50.684 26.644 3.387 1.00 22.66 ? 333 VAL A CA 1 ATOM 2402 C C . VAL A 1 333 ? 51.150 28.087 3.276 1.00 16.91 ? 333 VAL A C 1 ATOM 2403 O O . VAL A 1 333 ? 50.345 28.999 3.116 1.00 18.29 ? 333 VAL A O 1 ATOM 2404 C CB . VAL A 1 333 ? 50.292 26.151 1.983 1.00 20.79 ? 333 VAL A CB 1 ATOM 2405 C CG1 . VAL A 1 333 ? 51.478 26.292 1.043 1.00 22.11 ? 333 VAL A CG1 1 ATOM 2406 C CG2 . VAL A 1 333 ? 49.786 24.716 2.041 1.00 19.96 ? 333 VAL A CG2 1 ATOM 2407 N N . PRO A 1 334 ? 52.450 28.309 3.398 1.00 20.66 ? 334 PRO A N 1 ATOM 2408 C CA . PRO A 1 334 ? 52.959 29.662 3.267 1.00 21.84 ? 334 PRO A CA 1 ATOM 2409 C C . PRO A 1 334 ? 52.866 30.176 1.830 1.00 21.19 ? 334 PRO A C 1 ATOM 2410 O O . PRO A 1 334 ? 52.827 29.446 0.847 1.00 15.35 ? 334 PRO A O 1 ATOM 2411 C CB . PRO A 1 334 ? 54.430 29.561 3.665 1.00 23.35 ? 334 PRO A CB 1 ATOM 2412 C CG . PRO A 1 334 ? 54.671 28.194 4.142 1.00 21.33 ? 334 PRO A CG 1 ATOM 2413 C CD . PRO A 1 334 ? 53.503 27.339 3.726 1.00 24.04 ? 334 PRO A CD 1 ATOM 2414 N N . SER A 1 335 ? 52.906 31.500 1.789 1.00 21.77 ? 335 SER A N 1 ATOM 2415 C CA . SER A 1 335 ? 52.805 32.292 0.574 1.00 26.27 ? 335 SER A CA 1 ATOM 2416 C C . SER A 1 335 ? 53.691 31.808 -0.532 1.00 29.29 ? 335 SER A C 1 ATOM 2417 O O . SER A 1 335 ? 53.300 31.805 -1.714 1.00 36.63 ? 335 SER A O 1 ATOM 2418 C CB . SER A 1 335 ? 53.116 33.750 0.971 1.00 28.73 ? 335 SER A CB 1 ATOM 2419 O OG . SER A 1 335 ? 52.987 34.593 -0.169 1.00 57.32 ? 335 SER A OG 1 ATOM 2420 N N . GLY A 1 336 ? 54.930 31.370 -0.323 1.00 35.16 ? 336 GLY A N 1 ATOM 2421 C CA . GLY A 1 336 ? 55.692 31.036 -1.545 1.00 37.39 ? 336 GLY A CA 1 ATOM 2422 C C . GLY A 1 336 ? 55.457 29.645 -2.088 1.00 26.73 ? 336 GLY A C 1 ATOM 2423 O O . GLY A 1 336 ? 56.073 29.242 -3.074 1.00 25.95 ? 336 GLY A O 1 ATOM 2424 N N . ALA A 1 337 ? 54.571 28.869 -1.471 1.00 19.98 ? 337 ALA A N 1 ATOM 2425 C CA . ALA A 1 337 ? 54.556 27.443 -1.778 1.00 19.65 ? 337 ALA A CA 1 ATOM 2426 C C . ALA A 1 337 ? 53.144 27.027 -2.153 1.00 19.13 ? 337 ALA A C 1 ATOM 2427 O O . ALA A 1 337 ? 52.221 27.828 -2.123 1.00 22.87 ? 337 ALA A O 1 ATOM 2428 C CB . ALA A 1 337 ? 55.084 26.657 -0.586 1.00 18.72 ? 337 ALA A CB 1 ATOM 2429 N N . SER A 1 338 ? 52.986 25.762 -2.513 1.00 22.32 ? 338 SER A N 1 ATOM 2430 C CA . SER A 1 338 ? 51.683 25.277 -2.941 1.00 19.98 ? 338 SER A CA 1 ATOM 2431 C C . SER A 1 338 ? 51.654 23.762 -2.883 1.00 17.53 ? 338 SER A C 1 ATOM 2432 O O . SER A 1 338 ? 52.712 23.134 -2.977 1.00 22.83 ? 338 SER A O 1 ATOM 2433 C CB . SER A 1 338 ? 51.454 25.772 -4.370 1.00 28.79 ? 338 SER A CB 1 ATOM 2434 O OG . SER A 1 338 ? 50.443 25.047 -5.042 1.00 35.54 ? 338 SER A OG 1 ATOM 2435 N N . CYS A 1 339 ? 50.475 23.158 -2.735 1.00 17.80 ? 339 CYS A N 1 ATOM 2436 C CA . CYS A 1 339 ? 50.389 21.713 -2.913 1.00 20.44 ? 339 CYS A CA 1 ATOM 2437 C C . CYS A 1 339 ? 50.025 21.325 -4.336 1.00 24.30 ? 339 CYS A C 1 ATOM 2438 O O . CYS A 1 339 ? 50.050 20.136 -4.674 1.00 25.69 ? 339 CYS A O 1 ATOM 2439 C CB . CYS A 1 339 ? 49.372 21.143 -1.915 1.00 18.60 ? 339 CYS A CB 1 ATOM 2440 S SG . CYS A 1 339 ? 50.177 21.151 -0.279 1.00 16.87 ? 339 CYS A SG 1 ATOM 2441 O OXT . CYS A 1 339 ? 49.721 22.261 -5.158 1.00 28.38 ? 339 CYS A OXT 1 HETATM 2442 C C1 . MAN B 2 . ? 101.429 -4.497 9.184 1.00 34.63 ? 405 MAN A C1 1 HETATM 2443 C C2 . MAN B 2 . ? 102.436 -3.379 8.965 1.00 41.22 ? 405 MAN A C2 1 HETATM 2444 C C3 . MAN B 2 . ? 102.294 -2.798 7.567 1.00 44.14 ? 405 MAN A C3 1 HETATM 2445 C C4 . MAN B 2 . ? 102.062 -3.814 6.453 1.00 46.18 ? 405 MAN A C4 1 HETATM 2446 C C5 . MAN B 2 . ? 101.359 -5.137 6.856 1.00 45.51 ? 405 MAN A C5 1 HETATM 2447 C C6 . MAN B 2 . ? 101.741 -6.292 5.931 1.00 48.29 ? 405 MAN A C6 1 HETATM 2448 O O2 . MAN B 2 . ? 103.781 -3.767 9.231 1.00 31.69 ? 405 MAN A O2 1 HETATM 2449 O O3 . MAN B 2 . ? 103.429 -1.974 7.288 1.00 58.28 ? 405 MAN A O3 1 HETATM 2450 O O4 . MAN B 2 . ? 101.255 -3.221 5.444 1.00 54.43 ? 405 MAN A O4 1 HETATM 2451 O O5 . MAN B 2 . ? 101.626 -5.541 8.214 1.00 37.72 ? 405 MAN A O5 1 HETATM 2452 O O6 . MAN B 2 . ? 100.554 -6.738 5.249 1.00 62.03 ? 405 MAN A O6 1 HETATM 2453 C C1 . MAN C 2 . ? 96.324 -11.604 9.988 1.00 27.26 ? 407 MAN A C1 1 HETATM 2454 C C2 . MAN C 2 . ? 96.431 -12.961 10.655 1.00 34.17 ? 407 MAN A C2 1 HETATM 2455 C C3 . MAN C 2 . ? 97.298 -12.845 11.913 1.00 34.54 ? 407 MAN A C3 1 HETATM 2456 C C4 . MAN C 2 . ? 98.673 -12.255 11.546 1.00 32.80 ? 407 MAN A C4 1 HETATM 2457 C C5 . MAN C 2 . ? 98.508 -10.901 10.813 1.00 38.68 ? 407 MAN A C5 1 HETATM 2458 C C6 . MAN C 2 . ? 99.843 -10.373 10.288 1.00 43.82 ? 407 MAN A C6 1 HETATM 2459 O O2 . MAN C 2 . ? 97.054 -13.857 9.739 1.00 29.68 ? 407 MAN A O2 1 HETATM 2460 O O3 . MAN C 2 . ? 97.506 -14.163 12.422 1.00 57.20 ? 407 MAN A O3 1 HETATM 2461 O O4 . MAN C 2 . ? 99.347 -12.024 12.772 1.00 54.41 ? 407 MAN A O4 1 HETATM 2462 O O5 . MAN C 2 . ? 97.606 -11.049 9.674 1.00 37.39 ? 407 MAN A O5 1 HETATM 2463 O O6 . MAN C 2 . ? 99.574 -9.198 9.515 1.00 49.10 ? 407 MAN A O6 1 HETATM 2464 C C1 . MAN D 2 . ? 90.985 -16.130 16.380 1.00 45.98 ? 409 MAN A C1 1 HETATM 2465 C C2 . MAN D 2 . ? 92.411 -16.324 16.887 1.00 47.88 ? 409 MAN A C2 1 HETATM 2466 C C3 . MAN D 2 . ? 93.229 -16.884 15.725 1.00 45.56 ? 409 MAN A C3 1 HETATM 2467 C C4 . MAN D 2 . ? 92.597 -18.216 15.269 1.00 47.16 ? 409 MAN A C4 1 HETATM 2468 C C5 . MAN D 2 . ? 91.149 -17.933 14.860 1.00 49.68 ? 409 MAN A C5 1 HETATM 2469 C C6 . MAN D 2 . ? 90.214 -18.920 14.238 1.00 46.65 ? 409 MAN A C6 1 HETATM 2470 O O2 . MAN D 2 . ? 92.328 -17.292 17.948 1.00 44.40 ? 409 MAN A O2 1 HETATM 2471 O O3 . MAN D 2 . ? 94.617 -16.996 16.001 1.00 46.12 ? 409 MAN A O3 1 HETATM 2472 O O4 . MAN D 2 . ? 93.424 -18.800 14.297 1.00 41.29 ? 409 MAN A O4 1 HETATM 2473 O O5 . MAN D 2 . ? 90.421 -17.428 16.035 1.00 50.77 ? 409 MAN A O5 1 HETATM 2474 O O6 . MAN D 2 . ? 90.175 -20.140 14.941 1.00 60.58 ? 409 MAN A O6 1 HETATM 2475 C C1 . MAN E 2 . ? 92.060 -9.738 23.376 1.00 57.09 ? 413 MAN A C1 1 HETATM 2476 C C2 . MAN E 2 . ? 92.233 -9.352 24.835 1.00 61.00 ? 413 MAN A C2 1 HETATM 2477 C C3 . MAN E 2 . ? 93.565 -8.603 24.991 1.00 62.76 ? 413 MAN A C3 1 HETATM 2478 C C4 . MAN E 2 . ? 94.722 -9.465 24.445 1.00 65.60 ? 413 MAN A C4 1 HETATM 2479 C C5 . MAN E 2 . ? 94.430 -9.888 22.967 1.00 63.00 ? 413 MAN A C5 1 HETATM 2480 C C6 . MAN E 2 . ? 95.511 -10.816 22.436 1.00 61.39 ? 413 MAN A C6 1 HETATM 2481 O O2 . MAN E 2 . ? 92.255 -10.537 25.640 1.00 56.43 ? 413 MAN A O2 1 HETATM 2482 O O3 . MAN E 2 . ? 93.785 -8.271 26.350 1.00 64.08 ? 413 MAN A O3 1 HETATM 2483 O O4 . MAN E 2 . ? 95.928 -8.708 24.488 1.00 71.73 ? 413 MAN A O4 1 HETATM 2484 O O5 . MAN E 2 . ? 93.145 -10.579 22.932 1.00 61.25 ? 413 MAN A O5 1 HETATM 2485 O O6 . MAN E 2 . ? 95.129 -12.162 22.769 1.00 61.99 ? 413 MAN A O6 1 HETATM 2486 C C1 . MAN F 2 . ? 96.178 -9.464 18.024 1.00 22.94 ? 414 MAN A C1 1 HETATM 2487 C C2 . MAN F 2 . ? 96.394 -10.760 18.772 1.00 27.11 ? 414 MAN A C2 1 HETATM 2488 C C3 . MAN F 2 . ? 97.622 -10.673 19.669 1.00 30.82 ? 414 MAN A C3 1 HETATM 2489 C C4 . MAN F 2 . ? 98.833 -10.093 18.904 1.00 29.96 ? 414 MAN A C4 1 HETATM 2490 C C5 . MAN F 2 . ? 98.457 -8.751 18.235 1.00 27.55 ? 414 MAN A C5 1 HETATM 2491 C C6 . MAN F 2 . ? 99.580 -8.084 17.443 1.00 28.14 ? 414 MAN A C6 1 HETATM 2492 O O2 . MAN F 2 . ? 96.530 -11.878 17.892 1.00 33.05 ? 414 MAN A O2 1 HETATM 2493 O O3 . MAN F 2 . ? 97.932 -11.978 20.164 1.00 34.39 ? 414 MAN A O3 1 HETATM 2494 O O4 . MAN F 2 . ? 99.861 -9.918 19.866 1.00 29.60 ? 414 MAN A O4 1 HETATM 2495 O O5 . MAN F 2 . ? 97.350 -8.998 17.318 1.00 23.70 ? 414 MAN A O5 1 HETATM 2496 O O6 . MAN F 2 . ? 99.615 -8.764 16.176 1.00 39.47 ? 414 MAN A O6 1 HETATM 2497 C C1 . MAN G 2 . ? 89.279 -2.785 23.597 1.00 28.50 ? 416 MAN A C1 1 HETATM 2498 C C2 . MAN G 2 . ? 88.839 -1.857 24.706 1.00 33.73 ? 416 MAN A C2 1 HETATM 2499 C C3 . MAN G 2 . ? 90.046 -1.523 25.592 1.00 38.09 ? 416 MAN A C3 1 HETATM 2500 C C4 . MAN G 2 . ? 90.687 -2.826 26.080 1.00 44.11 ? 416 MAN A C4 1 HETATM 2501 C C5 . MAN G 2 . ? 91.008 -3.823 24.930 1.00 38.51 ? 416 MAN A C5 1 HETATM 2502 C C6 . MAN G 2 . ? 91.370 -5.224 25.447 1.00 37.54 ? 416 MAN A C6 1 HETATM 2503 O O2 . MAN G 2 . ? 87.850 -2.499 25.508 1.00 38.23 ? 416 MAN A O2 1 HETATM 2504 O O3 . MAN G 2 . ? 89.556 -0.767 26.707 1.00 41.80 ? 416 MAN A O3 1 HETATM 2505 O O4 . MAN G 2 . ? 91.871 -2.531 26.795 1.00 53.42 ? 416 MAN A O4 1 HETATM 2506 O O5 . MAN G 2 . ? 89.832 -4.014 24.084 1.00 32.58 ? 416 MAN A O5 1 HETATM 2507 O O6 . MAN G 2 . ? 90.677 -6.149 24.603 1.00 38.80 ? 416 MAN A O6 1 HETATM 2508 C C1 . MAN H 2 . ? 98.710 -4.696 20.334 1.00 28.43 ? 418 MAN A C1 1 HETATM 2509 C C2 . MAN H 2 . ? 99.132 -5.696 21.384 1.00 34.63 ? 418 MAN A C2 1 HETATM 2510 C C3 . MAN H 2 . ? 100.612 -5.482 21.709 1.00 38.17 ? 418 MAN A C3 1 HETATM 2511 C C4 . MAN H 2 . ? 101.428 -5.553 20.408 1.00 41.69 ? 418 MAN A C4 1 HETATM 2512 C C5 . MAN H 2 . ? 100.926 -4.484 19.400 1.00 35.19 ? 418 MAN A C5 1 HETATM 2513 C C6 . MAN H 2 . ? 101.686 -4.420 18.099 1.00 32.87 ? 418 MAN A C6 1 HETATM 2514 O O2 . MAN H 2 . ? 98.906 -7.029 20.933 1.00 44.13 ? 418 MAN A O2 1 HETATM 2515 O O3 . MAN H 2 . ? 101.033 -6.472 22.632 1.00 36.24 ? 418 MAN A O3 1 HETATM 2516 O O4 . MAN H 2 . ? 102.791 -5.327 20.718 1.00 55.49 ? 418 MAN A O4 1 HETATM 2517 O O5 . MAN H 2 . ? 99.515 -4.701 19.143 1.00 29.13 ? 418 MAN A O5 1 HETATM 2518 O O6 . MAN H 2 . ? 101.636 -5.641 17.374 1.00 29.35 ? 418 MAN A O6 1 HETATM 2519 C C1 . MAN I 2 . ? 102.494 8.033 15.157 1.00 26.48 ? 423 MAN A C1 1 HETATM 2520 C C2 . MAN I 2 . ? 103.882 8.433 15.631 1.00 31.09 ? 423 MAN A C2 1 HETATM 2521 C C3 . MAN I 2 . ? 104.389 7.348 16.591 1.00 31.48 ? 423 MAN A C3 1 HETATM 2522 C C4 . MAN I 2 . ? 103.397 7.228 17.754 1.00 33.41 ? 423 MAN A C4 1 HETATM 2523 C C5 . MAN I 2 . ? 101.983 6.837 17.224 1.00 30.39 ? 423 MAN A C5 1 HETATM 2524 C C6 . MAN I 2 . ? 100.967 6.781 18.356 1.00 32.37 ? 423 MAN A C6 1 HETATM 2525 O O2 . MAN I 2 . ? 103.763 9.669 16.351 1.00 29.69 ? 423 MAN A O2 1 HETATM 2526 O O3 . MAN I 2 . ? 105.664 7.700 17.097 1.00 38.03 ? 423 MAN A O3 1 HETATM 2527 O O4 . MAN I 2 . ? 103.852 6.252 18.671 1.00 40.03 ? 423 MAN A O4 1 HETATM 2528 O O5 . MAN I 2 . ? 101.575 7.795 16.225 1.00 28.19 ? 423 MAN A O5 1 HETATM 2529 O O6 . MAN I 2 . ? 99.795 7.522 18.004 1.00 40.91 ? 423 MAN A O6 1 HETATM 2530 C C1 . MAN J 2 . ? 100.775 5.780 9.171 1.00 29.82 ? 424 MAN A C1 1 HETATM 2531 C C2 . MAN J 2 . ? 100.841 7.294 9.105 1.00 39.41 ? 424 MAN A C2 1 HETATM 2532 C C3 . MAN J 2 . ? 100.079 7.790 7.879 1.00 44.55 ? 424 MAN A C3 1 HETATM 2533 C C4 . MAN J 2 . ? 100.463 7.090 6.581 1.00 44.15 ? 424 MAN A C4 1 HETATM 2534 C C5 . MAN J 2 . ? 100.559 5.551 6.731 1.00 42.87 ? 424 MAN A C5 1 HETATM 2535 C C6 . MAN J 2 . ? 101.436 4.964 5.581 1.00 54.61 ? 424 MAN A C6 1 HETATM 2536 O O2 . MAN J 2 . ? 102.191 7.729 9.165 1.00 37.78 ? 424 MAN A O2 1 HETATM 2537 O O3 . MAN J 2 . ? 100.169 9.199 7.754 1.00 46.76 ? 424 MAN A O3 1 HETATM 2538 O O4 . MAN J 2 . ? 99.509 7.396 5.572 1.00 43.57 ? 424 MAN A O4 1 HETATM 2539 O O5 . MAN J 2 . ? 101.212 5.167 7.968 1.00 34.68 ? 424 MAN A O5 1 HETATM 2540 O O6 . MAN J 2 . ? 102.805 5.011 6.013 1.00 54.92 ? 424 MAN A O6 1 HETATM 2541 C C1 . MAN K 2 . ? 79.002 -13.464 21.208 1.00 26.47 ? 434 MAN A C1 1 HETATM 2542 C C2 . MAN K 2 . ? 79.713 -14.153 22.355 1.00 26.92 ? 434 MAN A C2 1 HETATM 2543 C C3 . MAN K 2 . ? 79.605 -15.666 22.164 1.00 27.25 ? 434 MAN A C3 1 HETATM 2544 C C4 . MAN K 2 . ? 78.162 -16.131 21.925 1.00 24.99 ? 434 MAN A C4 1 HETATM 2545 C C5 . MAN K 2 . ? 77.484 -15.303 20.788 1.00 23.83 ? 434 MAN A C5 1 HETATM 2546 C C6 . MAN K 2 . ? 75.995 -15.606 20.689 1.00 32.02 ? 434 MAN A C6 1 HETATM 2547 O O2 . MAN K 2 . ? 79.056 -13.786 23.568 1.00 21.78 ? 434 MAN A O2 1 HETATM 2548 O O3 . MAN K 2 . ? 80.184 -16.322 23.278 1.00 26.04 ? 434 MAN A O3 1 HETATM 2549 O O4 . MAN K 2 . ? 78.175 -17.478 21.463 1.00 27.08 ? 434 MAN A O4 1 HETATM 2550 O O5 . MAN K 2 . ? 77.639 -13.890 21.087 1.00 24.60 ? 434 MAN A O5 1 HETATM 2551 O O6 . MAN K 2 . ? 75.365 -15.163 21.903 1.00 34.41 ? 434 MAN A O6 1 HETATM 2552 C C1 . NAG L 3 . ? 76.231 27.038 6.501 1.00 18.81 ? 351 NAG A C1 1 HETATM 2553 C C2 . NAG L 3 . ? 77.247 28.143 6.843 1.00 22.26 ? 351 NAG A C2 1 HETATM 2554 C C3 . NAG L 3 . ? 78.471 28.103 5.949 1.00 25.83 ? 351 NAG A C3 1 HETATM 2555 C C4 . NAG L 3 . ? 78.972 26.706 5.719 1.00 26.82 ? 351 NAG A C4 1 HETATM 2556 C C5 . NAG L 3 . ? 77.851 25.764 5.353 1.00 23.05 ? 351 NAG A C5 1 HETATM 2557 C C6 . NAG L 3 . ? 78.298 24.314 5.209 1.00 21.74 ? 351 NAG A C6 1 HETATM 2558 C C7 . NAG L 3 . ? 76.491 30.276 7.744 1.00 28.60 ? 351 NAG A C7 1 HETATM 2559 C C8 . NAG L 3 . ? 75.905 31.639 7.408 1.00 29.84 ? 351 NAG A C8 1 HETATM 2560 N N2 . NAG L 3 . ? 76.634 29.458 6.701 1.00 25.41 ? 351 NAG A N2 1 HETATM 2561 O O3 . NAG L 3 . ? 79.486 28.926 6.522 1.00 26.23 ? 351 NAG A O3 1 HETATM 2562 O O4 . NAG L 3 . ? 79.910 26.738 4.621 1.00 37.39 ? 351 NAG A O4 1 HETATM 2563 O O5 . NAG L 3 . ? 76.886 25.766 6.414 1.00 18.31 ? 351 NAG A O5 1 HETATM 2564 O O6 . NAG L 3 . ? 78.924 23.872 6.395 1.00 21.70 ? 351 NAG A O6 1 HETATM 2565 O O7 . NAG L 3 . ? 76.938 30.043 8.861 1.00 33.97 ? 351 NAG A O7 1 HETATM 2566 C C1 . NAG M 3 . ? 81.095 26.193 5.077 1.00 44.77 ? 352 NAG A C1 1 HETATM 2567 C C2 . NAG M 3 . ? 81.970 25.752 3.882 1.00 39.85 ? 352 NAG A C2 1 HETATM 2568 C C3 . NAG M 3 . ? 83.342 25.316 4.359 1.00 50.78 ? 352 NAG A C3 1 HETATM 2569 C C4 . NAG M 3 . ? 83.961 26.324 5.297 1.00 60.60 ? 352 NAG A C4 1 HETATM 2570 C C5 . NAG M 3 . ? 83.004 26.763 6.367 1.00 56.20 ? 352 NAG A C5 1 HETATM 2571 C C6 . NAG M 3 . ? 83.538 27.943 7.175 1.00 57.97 ? 352 NAG A C6 1 HETATM 2572 C C7 . NAG M 3 . ? 80.773 24.823 1.994 1.00 35.50 ? 352 NAG A C7 1 HETATM 2573 C C8 . NAG M 3 . ? 80.316 23.549 1.308 1.00 31.66 ? 352 NAG A C8 1 HETATM 2574 N N2 . NAG M 3 . ? 81.378 24.634 3.174 1.00 33.75 ? 352 NAG A N2 1 HETATM 2575 O O3 . NAG M 3 . ? 84.202 25.155 3.243 1.00 58.26 ? 352 NAG A O3 1 HETATM 2576 O O4 . NAG M 3 . ? 85.113 25.681 5.863 1.00 74.54 ? 352 NAG A O4 1 HETATM 2577 O O5 . NAG M 3 . ? 81.789 27.239 5.758 1.00 50.33 ? 352 NAG A O5 1 HETATM 2578 O O6 . NAG M 3 . ? 83.185 27.790 8.587 1.00 59.34 ? 352 NAG A O6 1 HETATM 2579 O O7 . NAG M 3 . ? 80.377 25.940 1.633 1.00 43.11 ? 352 NAG A O7 1 HETATM 2580 C C1 . MAN N 2 . ? 86.420 25.755 6.157 1.00 82.84 ? 353 MAN A C1 1 HETATM 2581 C C2 . MAN N 2 . ? 87.028 27.136 6.287 1.00 90.17 ? 353 MAN A C2 1 HETATM 2582 C C3 . MAN N 2 . ? 87.583 27.599 4.934 1.00 89.94 ? 353 MAN A C3 1 HETATM 2583 C C4 . MAN N 2 . ? 88.568 26.538 4.383 1.00 88.28 ? 353 MAN A C4 1 HETATM 2584 C C5 . MAN N 2 . ? 87.854 25.157 4.295 1.00 86.92 ? 353 MAN A C5 1 HETATM 2585 C C6 . MAN N 2 . ? 88.813 24.057 3.873 1.00 92.91 ? 353 MAN A C6 1 HETATM 2586 O O2 . MAN N 2 . ? 88.078 27.095 7.262 1.00 107.41 ? 353 MAN A O2 1 HETATM 2587 O O3 . MAN N 2 . ? 88.237 28.853 5.078 1.00 88.42 ? 353 MAN A O3 1 HETATM 2588 O O4 . MAN N 2 . ? 89.010 26.931 3.098 1.00 96.61 ? 353 MAN A O4 1 HETATM 2589 O O5 . MAN N 2 . ? 87.327 24.781 5.601 1.00 81.00 ? 353 MAN A O5 1 HETATM 2590 O O6 . MAN N 2 . ? 88.620 22.929 4.725 1.00 99.73 ? 353 MAN A O6 1 HETATM 2591 O O . HOH O 4 . ? 73.314 -1.669 11.695 1.00 10.86 ? 501 HOH A O 1 HETATM 2592 O O . HOH O 4 . ? 96.129 6.126 18.148 1.00 22.40 ? 502 HOH A O 1 HETATM 2593 O O . HOH O 4 . ? 74.657 24.255 4.561 1.00 20.95 ? 503 HOH A O 1 HETATM 2594 O O . HOH O 4 . ? 76.506 12.724 -0.678 1.00 10.25 ? 504 HOH A O 1 HETATM 2595 O O . HOH O 4 . ? 49.844 17.659 -3.603 1.00 11.82 ? 505 HOH A O 1 HETATM 2596 O O . HOH O 4 . ? 72.863 -5.766 -0.192 1.00 18.22 ? 506 HOH A O 1 HETATM 2597 O O . HOH O 4 . ? 86.236 -11.145 8.073 1.00 23.33 ? 507 HOH A O 1 HETATM 2598 O O . HOH O 4 . ? 55.432 23.085 14.918 1.00 17.71 ? 508 HOH A O 1 HETATM 2599 O O . HOH O 4 . ? 89.291 -5.712 8.377 1.00 14.58 ? 509 HOH A O 1 HETATM 2600 O O . HOH O 4 . ? 61.165 19.806 22.182 1.00 17.14 ? 510 HOH A O 1 HETATM 2601 O O . HOH O 4 . ? 67.199 -0.501 -1.389 1.00 21.40 ? 511 HOH A O 1 HETATM 2602 O O . HOH O 4 . ? 53.910 9.989 11.983 1.00 29.46 ? 512 HOH A O 1 HETATM 2603 O O . HOH O 4 . ? 62.584 28.598 12.492 1.00 25.40 ? 513 HOH A O 1 HETATM 2604 O O . HOH O 4 . ? 91.306 -4.516 0.485 1.00 19.92 ? 514 HOH A O 1 HETATM 2605 O O . HOH O 4 . ? 88.011 -3.711 19.399 1.00 17.14 ? 515 HOH A O 1 HETATM 2606 O O . HOH O 4 . ? 56.564 32.187 2.404 1.00 20.97 ? 516 HOH A O 1 HETATM 2607 O O . HOH O 4 . ? 86.606 17.303 7.839 1.00 31.41 ? 517 HOH A O 1 HETATM 2608 O O . HOH O 4 . ? 78.025 -8.703 17.172 1.00 13.88 ? 518 HOH A O 1 HETATM 2609 O O . HOH O 4 . ? 50.195 18.950 -7.074 1.00 23.12 ? 519 HOH A O 1 HETATM 2610 O O . HOH O 4 . ? 96.030 -9.149 14.620 1.00 22.92 ? 520 HOH A O 1 HETATM 2611 O O . HOH O 4 . ? 79.857 21.403 6.489 1.00 25.71 ? 521 HOH A O 1 HETATM 2612 O O . HOH O 4 . ? 62.939 31.808 1.952 1.00 23.59 ? 522 HOH A O 1 HETATM 2613 O O . HOH O 4 . ? 51.867 28.271 8.881 1.00 26.56 ? 523 HOH A O 1 HETATM 2614 O O . HOH O 4 . ? 82.807 13.196 -3.281 1.00 30.47 ? 524 HOH A O 1 HETATM 2615 O O . HOH O 4 . ? 81.208 24.240 15.624 1.00 33.90 ? 525 HOH A O 1 HETATM 2616 O O . HOH O 4 . ? 82.201 -14.612 18.190 1.00 30.95 ? 526 HOH A O 1 HETATM 2617 O O . HOH O 4 . ? 98.952 9.256 15.839 1.00 35.16 ? 527 HOH A O 1 HETATM 2618 O O . HOH O 4 . ? 79.486 -10.189 9.151 1.00 18.79 ? 528 HOH A O 1 HETATM 2619 O O . HOH O 4 . ? 77.005 -16.305 17.394 1.00 57.50 ? 529 HOH A O 1 HETATM 2620 O O . HOH O 4 . ? 66.997 0.555 -4.220 1.00 21.52 ? 530 HOH A O 1 HETATM 2621 O O . HOH O 4 . ? 66.747 27.729 -10.511 1.00 48.19 ? 531 HOH A O 1 HETATM 2622 O O . HOH O 4 . ? 86.486 -13.481 15.858 1.00 35.19 ? 532 HOH A O 1 HETATM 2623 O O . HOH O 4 . ? 66.662 26.862 13.546 1.00 30.26 ? 533 HOH A O 1 HETATM 2624 O O . HOH O 4 . ? 73.684 6.028 18.551 1.00 38.44 ? 534 HOH A O 1 HETATM 2625 O O . HOH O 4 . ? 82.151 -12.072 22.598 1.00 56.39 ? 535 HOH A O 1 HETATM 2626 O O . HOH O 4 . ? 55.875 33.612 4.789 1.00 33.42 ? 536 HOH A O 1 HETATM 2627 O O . HOH O 4 . ? 65.965 -7.648 -1.862 1.00 42.41 ? 537 HOH A O 1 HETATM 2628 O O . HOH O 4 . ? 71.875 5.579 14.134 1.00 58.29 ? 538 HOH A O 1 HETATM 2629 O O . HOH O 4 . ? 76.323 -9.728 3.251 1.00 22.67 ? 539 HOH A O 1 HETATM 2630 O O . HOH O 4 . ? 56.485 11.096 6.665 1.00 22.65 ? 540 HOH A O 1 HETATM 2631 O O . HOH O 4 . ? 62.394 10.427 12.808 1.00 53.01 ? 541 HOH A O 1 HETATM 2632 O O . HOH O 4 . ? 58.306 34.888 11.044 1.00 85.11 ? 542 HOH A O 1 HETATM 2633 O O . HOH O 4 . ? 50.629 15.144 8.005 1.00 19.80 ? 543 HOH A O 1 HETATM 2634 O O . HOH O 4 . ? 62.078 1.296 7.489 1.00 30.31 ? 544 HOH A O 1 HETATM 2635 O O . HOH O 4 . ? 68.106 0.890 16.360 1.00 35.28 ? 545 HOH A O 1 HETATM 2636 O O . HOH O 4 . ? 65.459 17.142 17.831 1.00 21.35 ? 546 HOH A O 1 HETATM 2637 O O . HOH O 4 . ? 66.483 -4.020 10.179 1.00 13.01 ? 547 HOH A O 1 HETATM 2638 O O . HOH O 4 . ? 65.743 7.458 -0.001 1.00 13.09 ? 548 HOH A O 1 HETATM 2639 O O . HOH O 4 . ? 64.442 -5.794 10.192 1.00 23.32 ? 549 HOH A O 1 HETATM 2640 O O . HOH O 4 . ? 92.428 12.276 19.294 1.00 17.42 ? 550 HOH A O 1 HETATM 2641 O O . HOH O 4 . ? 94.873 -10.767 6.608 1.00 24.91 ? 551 HOH A O 1 HETATM 2642 O O . HOH O 4 . ? 79.683 6.418 -3.499 1.00 17.05 ? 552 HOH A O 1 HETATM 2643 O O . HOH O 4 . ? 76.616 9.372 -5.432 1.00 24.03 ? 553 HOH A O 1 HETATM 2644 O O . HOH O 4 . ? 79.617 10.004 1.302 1.00 15.70 ? 554 HOH A O 1 HETATM 2645 O O . HOH O 4 . ? 87.435 -4.201 5.555 1.00 14.33 ? 555 HOH A O 1 HETATM 2646 O O . HOH O 4 . ? 57.910 17.274 -12.731 1.00 23.29 ? 556 HOH A O 1 HETATM 2647 O O . HOH O 4 . ? 80.500 -7.724 16.948 1.00 14.95 ? 557 HOH A O 1 HETATM 2648 O O . HOH O 4 . ? 68.727 -1.542 17.413 1.00 44.48 ? 558 HOH A O 1 HETATM 2649 O O . HOH O 4 . ? 89.002 -9.879 15.688 1.00 30.21 ? 559 HOH A O 1 HETATM 2650 O O . HOH O 4 . ? 72.149 -13.612 20.492 1.00 27.18 ? 560 HOH A O 1 HETATM 2651 O O . HOH O 4 . ? 50.471 9.385 -0.479 1.00 35.23 ? 561 HOH A O 1 HETATM 2652 O O . HOH O 4 . ? 68.052 30.317 -8.689 1.00 25.83 ? 562 HOH A O 1 HETATM 2653 O O . HOH O 4 . ? 70.642 26.351 3.622 1.00 25.19 ? 563 HOH A O 1 HETATM 2654 O O . HOH O 4 . ? 60.751 4.661 10.024 1.00 44.62 ? 564 HOH A O 1 HETATM 2655 O O . HOH O 4 . ? 46.721 13.994 0.927 1.00 44.36 ? 565 HOH A O 1 HETATM 2656 O O . HOH O 4 . ? 83.116 19.514 7.439 1.00 31.07 ? 566 HOH A O 1 HETATM 2657 O O . HOH O 4 . ? 82.805 3.571 -1.640 1.00 34.79 ? 567 HOH A O 1 HETATM 2658 O O . HOH O 4 . ? 79.361 -12.449 8.344 1.00 39.58 ? 568 HOH A O 1 HETATM 2659 O O . HOH O 4 . ? 62.056 -4.459 3.812 1.00 34.98 ? 569 HOH A O 1 HETATM 2660 O O . HOH O 4 . ? 89.088 -9.950 18.578 1.00 26.82 ? 570 HOH A O 1 HETATM 2661 O O . HOH O 4 . ? 96.874 9.987 8.107 1.00 38.00 ? 571 HOH A O 1 HETATM 2662 O O . HOH O 4 . ? 61.089 -7.142 2.963 1.00 45.33 ? 572 HOH A O 1 HETATM 2663 O O . HOH O 4 . ? 70.160 16.598 -9.525 1.00 27.66 ? 573 HOH A O 1 HETATM 2664 O O . HOH O 4 . ? 48.104 24.811 14.675 1.00 27.13 ? 574 HOH A O 1 HETATM 2665 O O . HOH O 4 . ? 60.895 2.275 0.701 1.00 43.08 ? 575 HOH A O 1 HETATM 2666 O O . HOH O 4 . ? 82.548 6.908 19.075 1.00 38.07 ? 576 HOH A O 1 HETATM 2667 O O . HOH O 4 . ? 78.641 10.807 22.271 1.00 68.19 ? 577 HOH A O 1 HETATM 2668 O O . HOH O 4 . ? 55.910 8.866 4.280 1.00 40.32 ? 578 HOH A O 1 HETATM 2669 O O . HOH O 4 . ? 79.885 28.989 9.063 1.00 49.44 ? 579 HOH A O 1 HETATM 2670 O O . HOH O 4 . ? 87.121 14.925 19.604 1.00 73.41 ? 580 HOH A O 1 HETATM 2671 O O . HOH O 4 . ? 67.830 5.662 0.072 1.00 12.62 ? 581 HOH A O 1 HETATM 2672 O O . HOH O 4 . ? 65.345 32.197 3.250 1.00 39.17 ? 582 HOH A O 1 HETATM 2673 O O . HOH O 4 . ? 65.947 -12.995 11.088 1.00 36.99 ? 583 HOH A O 1 HETATM 2674 O O . HOH O 4 . ? 84.770 8.378 23.092 1.00 31.42 ? 584 HOH A O 1 HETATM 2675 O O . HOH O 4 . ? 58.457 26.709 -9.253 1.00 36.19 ? 585 HOH A O 1 HETATM 2676 O O . HOH O 4 . ? 58.301 31.832 13.448 1.00 33.00 ? 586 HOH A O 1 HETATM 2677 O O . HOH O 4 . ? 57.933 6.954 4.625 1.00 39.76 ? 587 HOH A O 1 HETATM 2678 O O . HOH O 4 . ? 72.965 -10.568 4.947 1.00 26.33 ? 588 HOH A O 1 HETATM 2679 O O . HOH O 4 . ? 55.522 19.894 15.531 1.00 17.33 ? 589 HOH A O 1 HETATM 2680 O O . HOH O 4 . ? 54.549 21.880 18.684 1.00 21.34 ? 590 HOH A O 1 HETATM 2681 O O . HOH O 4 . ? 77.109 -16.243 11.719 1.00 27.67 ? 591 HOH A O 1 HETATM 2682 O O . HOH O 4 . ? 71.752 22.466 17.228 1.00 26.87 ? 592 HOH A O 1 HETATM 2683 O O . HOH O 4 . ? 70.428 20.990 18.857 1.00 30.25 ? 593 HOH A O 1 HETATM 2684 O O . HOH O 4 . ? 47.874 24.699 -2.634 1.00 75.14 ? 594 HOH A O 1 HETATM 2685 O O . HOH O 4 . ? 85.436 -1.764 24.513 1.00 59.92 ? 595 HOH A O 1 HETATM 2686 O O . HOH O 4 . ? 54.879 9.038 -12.715 1.00 55.35 ? 596 HOH A O 1 HETATM 2687 O O . HOH O 4 . ? 58.238 30.781 -3.729 1.00 26.66 ? 597 HOH A O 1 HETATM 2688 O O . HOH O 4 . ? 57.456 -9.220 10.597 1.00 34.52 ? 598 HOH A O 1 HETATM 2689 O O . HOH O 4 . ? 75.007 3.422 18.304 1.00 54.60 ? 599 HOH A O 1 HETATM 2690 O O . HOH O 4 . ? 60.365 8.422 9.763 1.00 50.04 ? 600 HOH A O 1 HETATM 2691 O O . HOH O 4 . ? 74.226 27.316 12.355 1.00 73.49 ? 601 HOH A O 1 HETATM 2692 O O . HOH O 4 . ? 76.796 -1.609 -5.162 1.00 60.84 ? 602 HOH A O 1 HETATM 2693 O O . HOH O 4 . ? 85.452 -1.620 -1.588 1.00 46.62 ? 603 HOH A O 1 HETATM 2694 O O . HOH O 4 . ? 72.622 10.902 16.905 1.00 43.09 ? 604 HOH A O 1 HETATM 2695 O O . HOH O 4 . ? 81.695 8.356 -4.463 1.00 52.44 ? 605 HOH A O 1 HETATM 2696 O O . HOH O 4 . ? 79.264 -10.579 24.420 1.00 42.96 ? 606 HOH A O 1 HETATM 2697 O O . HOH O 4 . ? 78.462 -15.784 14.155 1.00 32.68 ? 607 HOH A O 1 HETATM 2698 O O . HOH O 4 . ? 50.268 24.280 18.958 1.00 25.38 ? 608 HOH A O 1 HETATM 2699 O O . HOH O 4 . ? 51.979 10.421 6.859 1.00 39.18 ? 609 HOH A O 1 HETATM 2700 O O . HOH O 4 . ? 47.036 18.827 17.805 1.00 37.11 ? 610 HOH A O 1 HETATM 2701 O O . HOH O 4 . ? 59.833 10.362 16.090 1.00 46.12 ? 611 HOH A O 1 HETATM 2702 O O . HOH O 4 . ? 41.506 11.998 14.770 1.00 42.53 ? 612 HOH A O 1 HETATM 2703 O O . HOH O 4 . ? 74.093 -7.015 -2.368 1.00 50.26 ? 613 HOH A O 1 HETATM 2704 O O . HOH O 4 . ? 77.406 4.216 21.597 1.00 58.22 ? 614 HOH A O 1 HETATM 2705 O O . HOH O 4 . ? 89.655 -11.133 1.616 1.00 45.88 ? 615 HOH A O 1 HETATM 2706 O O . HOH O 4 . ? 92.558 -8.684 1.399 1.00 36.15 ? 616 HOH A O 1 HETATM 2707 O O . HOH O 4 . ? 68.044 23.132 20.652 1.00 31.45 ? 617 HOH A O 1 HETATM 2708 O O . HOH O 4 . ? 65.166 8.102 10.490 1.00 29.23 ? 618 HOH A O 1 HETATM 2709 O O . HOH O 4 . ? 76.922 29.075 11.242 1.00 48.28 ? 619 HOH A O 1 HETATM 2710 O O . HOH O 4 . ? 81.464 -8.601 1.522 1.00 38.50 ? 620 HOH A O 1 HETATM 2711 O O . HOH O 4 . ? 52.531 5.460 -12.064 1.00 46.02 ? 621 HOH A O 1 HETATM 2712 O O . HOH O 4 . ? 83.240 -13.509 14.431 1.00 38.34 ? 622 HOH A O 1 HETATM 2713 O O . HOH O 4 . ? 68.485 2.562 -8.314 1.00 38.85 ? 623 HOH A O 1 HETATM 2714 O O . HOH O 4 . ? 69.360 13.942 19.018 1.00 88.52 ? 624 HOH A O 1 HETATM 2715 O O . HOH O 4 . ? 102.877 9.762 12.318 1.00 52.05 ? 625 HOH A O 1 HETATM 2716 O O . HOH O 4 . ? 100.838 10.761 17.554 1.00 51.92 ? 626 HOH A O 1 HETATM 2717 O O . HOH O 4 . ? 91.769 -12.787 4.724 1.00 48.80 ? 627 HOH A O 1 HETATM 2718 O O . HOH O 4 . ? 69.657 25.729 -8.894 1.00 30.24 ? 628 HOH A O 1 HETATM 2719 O O . HOH O 4 . ? 85.959 -4.131 22.014 1.00 39.16 ? 629 HOH A O 1 HETATM 2720 O O . HOH O 4 . ? 94.001 -13.367 14.406 1.00 27.86 ? 630 HOH A O 1 HETATM 2721 O O . HOH O 4 . ? 60.288 -2.698 6.435 1.00 61.45 ? 631 HOH A O 1 HETATM 2722 O O . HOH O 4 . ? 94.563 -15.235 18.417 1.00 35.77 ? 632 HOH A O 1 HETATM 2723 O O . HOH O 4 . ? 94.931 12.320 9.784 1.00 32.89 ? 633 HOH A O 1 HETATM 2724 O O . HOH O 4 . ? 59.060 27.314 19.782 1.00 32.84 ? 634 HOH A O 1 HETATM 2725 O O . HOH O 4 . ? 81.524 -12.207 1.223 1.00 43.83 ? 635 HOH A O 1 HETATM 2726 O O . HOH O 4 . ? 86.269 26.714 0.592 1.00 65.50 ? 636 HOH A O 1 HETATM 2727 O O . HOH O 4 . ? 54.976 21.172 -8.918 1.00 31.64 ? 637 HOH A O 1 HETATM 2728 O O . HOH O 4 . ? 78.687 12.633 -7.068 1.00 44.54 ? 638 HOH A O 1 HETATM 2729 O O . HOH O 4 . ? 69.586 25.971 20.506 1.00 55.97 ? 639 HOH A O 1 HETATM 2730 O O . HOH O 4 . ? 85.936 -13.081 5.931 1.00 40.69 ? 640 HOH A O 1 HETATM 2731 O O . HOH O 4 . ? 44.488 25.559 6.389 1.00 50.13 ? 641 HOH A O 1 HETATM 2732 O O . HOH O 4 . ? 73.154 -2.107 -6.417 1.00 41.54 ? 642 HOH A O 1 HETATM 2733 O O . HOH O 4 . ? 48.116 17.947 19.777 1.00 42.55 ? 643 HOH A O 1 HETATM 2734 O O . HOH O 4 . ? 92.535 4.942 23.783 1.00 55.19 ? 644 HOH A O 1 HETATM 2735 O O . HOH O 4 . ? 93.154 9.928 2.916 1.00 64.02 ? 645 HOH A O 1 HETATM 2736 O O . HOH O 4 . ? 100.095 9.849 13.003 1.00 77.43 ? 646 HOH A O 1 HETATM 2737 O O . HOH O 4 . ? 96.690 12.331 21.130 1.00 43.33 ? 647 HOH A O 1 HETATM 2738 O O . HOH O 4 . ? 70.010 -15.924 12.041 1.00 65.14 ? 648 HOH A O 1 HETATM 2739 O O . HOH O 4 . ? 95.240 2.351 0.960 1.00 43.86 ? 649 HOH A O 1 HETATM 2740 O O . HOH O 4 . ? 78.187 -13.210 4.109 1.00 55.32 ? 650 HOH A O 1 HETATM 2741 O O . HOH O 4 . ? 91.755 15.451 8.702 1.00 55.90 ? 651 HOH A O 1 HETATM 2742 O O . HOH O 4 . ? 69.167 29.144 0.580 1.00 39.52 ? 652 HOH A O 1 HETATM 2743 O O . HOH O 4 . ? 50.920 8.952 13.605 1.00 43.44 ? 653 HOH A O 1 HETATM 2744 O O . HOH O 4 . ? 66.941 9.532 -12.623 1.00 43.32 ? 654 HOH A O 1 HETATM 2745 O O . HOH O 4 . ? 82.058 -13.682 4.866 1.00 35.29 ? 655 HOH A O 1 HETATM 2746 O O . HOH O 4 . ? 44.707 14.476 -8.050 1.00 41.28 ? 656 HOH A O 1 HETATM 2747 O O . HOH O 4 . ? 55.180 27.253 -6.356 1.00 70.28 ? 657 HOH A O 1 HETATM 2748 O O . HOH O 4 . ? 64.958 10.256 12.993 1.00 52.92 ? 658 HOH A O 1 HETATM 2749 O O . HOH O 4 . ? 57.068 30.462 11.323 1.00 41.66 ? 659 HOH A O 1 HETATM 2750 O O . HOH O 4 . ? 80.871 -14.070 10.514 1.00 62.36 ? 660 HOH A O 1 HETATM 2751 O O . HOH O 4 . ? 52.067 13.950 21.944 1.00 52.06 ? 661 HOH A O 1 HETATM 2752 O O . HOH O 4 . ? 72.683 29.061 4.060 1.00 52.96 ? 662 HOH A O 1 HETATM 2753 O O . HOH O 4 . ? 52.899 29.972 15.444 1.00 48.29 ? 663 HOH A O 1 HETATM 2754 O O . HOH O 4 . ? 72.876 -5.200 23.797 1.00 65.81 ? 664 HOH A O 1 HETATM 2755 O O . HOH O 4 . ? 72.164 -11.033 2.135 1.00 40.53 ? 665 HOH A O 1 HETATM 2756 O O . HOH O 4 . ? 55.928 12.186 17.617 1.00 95.77 ? 666 HOH A O 1 HETATM 2757 O O . HOH O 4 . ? 106.674 11.141 16.897 1.00 69.36 ? 667 HOH A O 1 HETATM 2758 O O . HOH O 4 . ? 75.473 14.018 21.716 1.00 52.83 ? 668 HOH A O 1 HETATM 2759 O O . HOH O 4 . ? 66.571 -3.622 17.603 1.00 42.56 ? 669 HOH A O 1 HETATM 2760 O O . HOH O 4 . ? 49.206 30.580 0.371 1.00 46.99 ? 670 HOH A O 1 HETATM 2761 O O . HOH O 4 . ? 96.634 -7.899 3.531 1.00 65.72 ? 671 HOH A O 1 HETATM 2762 O O . HOH O 4 . ? 83.510 17.451 19.408 1.00 53.03 ? 672 HOH A O 1 HETATM 2763 O O . HOH O 4 . ? 54.573 23.095 -7.684 1.00 52.34 ? 673 HOH A O 1 HETATM 2764 O O . HOH O 4 . ? 79.776 -1.276 23.354 1.00 50.26 ? 674 HOH A O 1 HETATM 2765 O O . HOH O 4 . ? 62.271 11.649 19.087 1.00 81.05 ? 675 HOH A O 1 HETATM 2766 O O . HOH O 4 . ? 50.429 18.549 -11.132 1.00 60.40 ? 676 HOH A O 1 HETATM 2767 O O . HOH O 4 . ? 63.348 -5.101 19.885 1.00 49.07 ? 677 HOH A O 1 HETATM 2768 O O . HOH O 4 . ? 73.010 13.340 19.341 1.00 43.40 ? 678 HOH A O 1 HETATM 2769 O O . HOH O 4 . ? 89.134 7.129 -0.280 1.00 70.03 ? 679 HOH A O 1 HETATM 2770 O O . HOH O 4 . ? 50.553 8.033 9.538 1.00 60.61 ? 680 HOH A O 1 HETATM 2771 O O . HOH O 4 . ? 74.633 1.171 22.524 1.00 49.07 ? 681 HOH A O 1 HETATM 2772 O O . HOH O 4 . ? 83.488 25.097 -1.188 1.00 55.57 ? 682 HOH A O 1 HETATM 2773 O O . HOH O 4 . ? 81.143 22.179 19.296 1.00 47.16 ? 683 HOH A O 1 HETATM 2774 O O . HOH O 4 . ? 99.192 -13.880 18.858 1.00 52.83 ? 684 HOH A O 1 HETATM 2775 O O . HOH O 4 . ? 62.589 34.154 8.504 1.00 36.06 ? 685 HOH A O 1 HETATM 2776 O O . HOH O 4 . ? 46.125 23.036 -0.654 1.00 69.64 ? 686 HOH A O 1 HETATM 2777 O O . HOH O 4 . ? 57.783 13.084 21.018 1.00 87.45 ? 687 HOH A O 1 HETATM 2778 O O . HOH O 4 . ? 94.697 8.691 22.936 1.00 45.69 ? 688 HOH A O 1 HETATM 2779 O O . HOH O 4 . ? 81.213 15.396 21.498 1.00 51.41 ? 689 HOH A O 1 HETATM 2780 O O . HOH O 4 . ? 57.908 1.517 2.450 1.00 52.06 ? 690 HOH A O 1 HETATM 2781 O O . HOH O 4 . ? 72.815 27.085 0.367 1.00 60.29 ? 691 HOH A O 1 HETATM 2782 O O . HOH O 4 . ? 95.799 -11.422 15.767 1.00 54.80 ? 692 HOH A O 1 HETATM 2783 O O . HOH O 4 . ? 94.065 1.409 -1.415 1.00 49.27 ? 693 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 ALA 1 1 1 ALA ALA A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 THR 3 3 3 THR THR A . n A 1 4 CYS 4 4 4 CYS CYS A . n A 1 5 THR 5 5 5 THR THR A . n A 1 6 PHE 6 6 6 PHE PHE A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 GLY 11 11 11 GLY GLY A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 SER 14 14 14 SER SER A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 LYS 17 17 17 LYS LYS A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 THR 20 20 20 THR THR A . n A 1 21 SER 21 21 21 SER SER A . n A 1 22 CYS 22 22 22 CYS CYS A . n A 1 23 SER 23 23 23 SER SER A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 ILE 25 25 25 ILE ILE A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 LEU 27 27 27 LEU LEU A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 VAL 32 32 32 VAL VAL A . n A 1 33 PRO 33 33 33 PRO PRO A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 THR 36 36 36 THR THR A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 LEU 40 40 40 LEU LEU A . n A 1 41 THR 41 41 41 THR THR A . n A 1 42 LYS 42 42 42 LYS LYS A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 ASN 44 44 44 ASN ASN A . n A 1 45 ASP 45 45 45 ASP ASP A . n A 1 46 GLY 46 46 46 GLY GLY A . n A 1 47 THR 47 47 47 THR THR A . n A 1 48 HIS 48 48 48 HIS HIS A . n A 1 49 VAL 49 49 49 VAL VAL A . n A 1 50 ILE 50 50 50 ILE ILE A . n A 1 51 PHE 51 51 51 PHE PHE A . n A 1 52 SER 52 52 52 SER SER A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 GLU 54 54 54 GLU GLU A . n A 1 55 THR 55 55 55 THR THR A . n A 1 56 THR 56 56 56 THR THR A . n A 1 57 PHE 57 57 57 PHE PHE A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 LYS 60 60 60 LYS LYS A . n A 1 61 GLU 61 61 61 GLU GLU A . n A 1 62 TRP 62 62 62 TRP TRP A . n A 1 63 SER 63 63 63 SER SER A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 PRO 65 65 65 PRO PRO A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 SER 68 68 68 SER SER A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 SER 70 70 70 SER SER A . n A 1 71 GLY 71 71 71 GLY GLY A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 THR 75 75 75 THR THR A . n A 1 76 ILE 76 76 76 ILE ILE A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 GLY 81 81 81 GLY GLY A . n A 1 82 HIS 82 82 82 HIS HIS A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 ILE 84 84 84 ILE ILE A . n A 1 85 ASN 85 85 85 ASN ASN A . n A 1 86 GLY 86 86 86 GLY GLY A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 ARG 90 90 90 ARG ARG A . n A 1 91 TRP 91 91 91 TRP TRP A . n A 1 92 TRP 92 92 92 TRP TRP A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 GLY 94 94 94 GLY GLY A . n A 1 95 GLU 95 95 95 GLU GLN A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 GLY 97 97 97 GLY GLY A . n A 1 98 ASN 98 98 98 ASN ASN A . n A 1 99 GLY 99 99 99 GLY GLY A . n A 1 100 GLY 100 100 100 GLY GLY A . n A 1 101 LYS 101 101 101 LYS LYS A . n A 1 102 THR 102 102 102 THR THR A . n A 1 103 LYS 103 103 103 LYS LYS A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 LYS 105 105 105 LYS LYS A . n A 1 106 PHE 106 106 106 PHE PHE A . n A 1 107 PHE 107 107 107 PHE PHE A . n A 1 108 ALA 108 108 108 ALA ALA A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 HIS 110 110 110 HIS HIS A . n A 1 111 SER 111 111 111 SER SER A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 THR 113 113 113 THR THR A . n A 1 114 ASN 114 114 114 ASN ASN A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 ILE 117 117 117 ILE ILE A . n A 1 118 SER 118 118 118 SER SER A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 LYS 121 121 121 LYS LYS A . n A 1 122 ILE 122 122 122 ILE ILE A . n A 1 123 VAL 123 123 123 VAL VAL A . n A 1 124 ASN 124 124 124 ASN ASN A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 PRO 126 126 126 PRO PRO A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 GLN 128 128 128 GLN GLN A . n A 1 129 VAL 129 129 129 VAL VAL A . n A 1 130 PHE 130 130 130 PHE PHE A . n A 1 131 SER 131 131 131 SER SER A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 ALA 133 133 133 ALA ALA A . n A 1 134 GLY 134 134 134 GLY GLY A . n A 1 135 SER 135 135 135 SER SER A . n A 1 136 ASP 136 136 136 ASP ASP A . n A 1 137 TYR 137 137 137 TYR TYR A . n A 1 138 LEU 138 138 138 LEU LEU A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 LYS 141 141 141 LYS LYS A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 ILE 143 143 143 ILE ILE A . n A 1 144 THR 144 144 144 THR THR A . n A 1 145 ILE 145 145 145 ILE ILE A . n A 1 146 ASP 146 146 146 ASP ASP A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 SER 148 148 148 SER SER A . n A 1 149 ASP 149 149 149 ASP ASP A . n A 1 150 GLY 150 150 150 GLY GLY A . n A 1 151 ASP 151 151 151 ASP ASP A . n A 1 152 ASP 152 152 152 ASP ASP A . n A 1 153 ASN 153 153 153 ASN ASN A . n A 1 154 GLY 154 154 154 GLY GLY A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 HIS 156 156 156 HIS HIS A . n A 1 157 ASN 157 157 157 ASN ASN A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ASP 159 159 159 ASP ASP A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 PHE 161 161 161 PHE PHE A . n A 1 162 ASP 162 162 162 ASP ASP A . n A 1 163 ILE 163 163 163 ILE ILE A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 THR 165 165 165 THR THR A . n A 1 166 SER 166 166 166 SER SER A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 TYR 168 168 168 TYR TYR A . n A 1 169 VAL 169 169 169 VAL VAL A . n A 1 170 THR 170 170 170 THR THR A . n A 1 171 ILE 171 171 171 ILE ILE A . n A 1 172 SER 172 172 172 SER SER A . n A 1 173 GLY 173 173 173 GLY GLY A . n A 1 174 ALA 174 174 174 ALA ALA A . n A 1 175 THR 175 175 175 THR THR A . n A 1 176 VAL 176 176 176 VAL VAL A . n A 1 177 TYR 177 177 177 TYR TYR A . n A 1 178 ASN 178 178 178 ASN ASN A . n A 1 179 GLN 179 179 179 GLN GLN A . n A 1 180 ASP 180 180 180 ASP ASP A . n A 1 181 ASP 181 181 181 ASP ASP A . n A 1 182 CYS 182 182 182 CYS CYS A . n A 1 183 VAL 183 183 183 VAL VAL A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 VAL 185 185 185 VAL VAL A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 GLY 188 188 188 GLY GLY A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 ASN 190 190 190 ASN ASN A . n A 1 191 ILE 191 191 191 ILE ILE A . n A 1 192 TYR 192 192 192 TYR TYR A . n A 1 193 PHE 193 193 193 PHE PHE A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 GLY 195 195 195 GLY GLY A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 TYR 197 197 197 TYR TYR A . n A 1 198 CYS 198 198 198 CYS CYS A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 GLY 200 200 200 GLY GLY A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 HIS 202 202 202 HIS HIS A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 LEU 204 204 204 LEU LEU A . n A 1 205 SER 205 205 205 SER SER A . n A 1 206 ILE 206 206 206 ILE ILE A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 VAL 209 209 209 VAL VAL A . n A 1 210 GLY 210 210 210 GLY GLY A . n A 1 211 GLY 211 211 211 GLY GLY A . n A 1 212 ARG 212 212 212 ARG ARG A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 ASP 214 214 214 ASP ASP A . n A 1 215 ASN 215 215 215 ASN ASN A . n A 1 216 THR 216 216 216 THR THR A . n A 1 217 VAL 217 217 217 VAL VAL A . n A 1 218 LYS 218 218 218 LYS LYS A . n A 1 219 ASN 219 219 219 ASN ASN A . n A 1 220 VAL 220 220 220 VAL VAL A . n A 1 221 THR 221 221 221 THR THR A . n A 1 222 PHE 222 222 222 PHE PHE A . n A 1 223 VAL 223 223 223 VAL VAL A . n A 1 224 ASP 224 224 224 ASP ASP A . n A 1 225 SER 225 225 225 SER SER A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 ILE 227 227 227 ILE ILE A . n A 1 228 ILE 228 228 228 ILE ILE A . n A 1 229 ASN 229 229 229 ASN ASN A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 ASP 231 231 231 ASP ASP A . n A 1 232 ASN 232 232 232 ASN ASN A . n A 1 233 GLY 233 233 233 GLY GLY A . n A 1 234 VAL 234 234 234 VAL VAL A . n A 1 235 ARG 235 235 235 ARG ARG A . n A 1 236 ILE 236 236 236 ILE ILE A . n A 1 237 LYS 237 237 237 LYS LYS A . n A 1 238 THR 238 238 238 THR THR A . n A 1 239 ASN 239 239 239 ASN ASN A . n A 1 240 ILE 240 240 240 ILE ILE A . n A 1 241 ASP 241 241 241 ASP ASP A . n A 1 242 THR 242 242 242 THR THR A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 GLY 244 244 244 GLY GLY A . n A 1 245 SER 245 245 245 SER SER A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 SER 247 247 247 SER SER A . n A 1 248 ASP 248 248 248 ASP ASP A . n A 1 249 VAL 249 249 249 VAL VAL A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 TYR 251 251 251 TYR TYR A . n A 1 252 LYS 252 252 252 LYS LYS A . n A 1 253 ASP 253 253 253 ASP ASP A . n A 1 254 ILE 254 254 254 ILE ILE A . n A 1 255 THR 255 255 255 THR THR A . n A 1 256 LEU 256 256 256 LEU LEU A . n A 1 257 THR 257 257 257 THR THR A . n A 1 258 SER 258 258 258 SER SER A . n A 1 259 ILE 259 259 259 ILE ILE A . n A 1 260 ALA 260 260 260 ALA ALA A . n A 1 261 LYS 261 261 261 LYS LYS A . n A 1 262 TYR 262 262 262 TYR TYR A . n A 1 263 GLY 263 263 263 GLY GLY A . n A 1 264 ILE 264 264 264 ILE ILE A . n A 1 265 VAL 265 265 265 VAL VAL A . n A 1 266 VAL 266 266 266 VAL VAL A . n A 1 267 GLN 267 267 267 GLN GLN A . n A 1 268 GLN 268 268 268 GLN GLN A . n A 1 269 ASN 269 269 269 ASN ASN A . n A 1 270 TYR 270 270 270 TYR TYR A . n A 1 271 GLY 271 271 271 GLY GLY A . n A 1 272 ASP 272 272 272 ASP ASP A . n A 1 273 THR 273 273 273 THR THR A . n A 1 274 SER 274 274 274 SER SER A . n A 1 275 SER 275 275 275 SER SER A . n A 1 276 THR 276 276 276 THR THR A . n A 1 277 PRO 277 277 277 PRO PRO A . n A 1 278 THR 278 278 278 THR THR A . n A 1 279 THR 279 279 279 THR THR A . n A 1 280 GLY 280 280 280 GLY GLY A . n A 1 281 VAL 281 281 281 VAL VAL A . n A 1 282 PRO 282 282 282 PRO PRO A . n A 1 283 ILE 283 283 283 ILE ILE A . n A 1 284 THR 284 284 284 THR THR A . n A 1 285 ASP 285 285 285 ASP ASP A . n A 1 286 PHE 286 286 286 PHE PHE A . n A 1 287 VAL 287 287 287 VAL VAL A . n A 1 288 LEU 288 288 288 LEU LEU A . n A 1 289 ASP 289 289 289 ASP ASP A . n A 1 290 ASN 290 290 290 ASN ASN A . n A 1 291 VAL 291 291 291 VAL VAL A . n A 1 292 HIS 292 292 292 HIS HIS A . n A 1 293 GLY 293 293 293 GLY GLY A . n A 1 294 SER 294 294 294 SER SER A . n A 1 295 VAL 295 295 295 VAL VAL A . n A 1 296 VAL 296 296 296 VAL VAL A . n A 1 297 SER 297 297 297 SER SER A . n A 1 298 SER 298 298 298 SER SER A . n A 1 299 GLY 299 299 299 GLY GLY A . n A 1 300 THR 300 300 300 THR THR A . n A 1 301 ASN 301 301 301 ASN ASN A . n A 1 302 ILE 302 302 302 ILE ILE A . n A 1 303 LEU 303 303 303 LEU LEU A . n A 1 304 ILE 304 304 304 ILE ILE A . n A 1 305 SER 305 305 305 SER SER A . n A 1 306 CYS 306 306 306 CYS CYS A . n A 1 307 GLY 307 307 307 GLY GLY A . n A 1 308 SER 308 308 308 SER SER A . n A 1 309 GLY 309 309 309 GLY GLY A . n A 1 310 SER 310 310 310 SER SER A . n A 1 311 CYS 311 311 311 CYS CYS A . n A 1 312 SER 312 312 312 SER SER A . n A 1 313 ASP 313 313 313 ASP ASP A . n A 1 314 TRP 314 314 314 TRP TRP A . n A 1 315 THR 315 315 315 THR THR A . n A 1 316 TRP 316 316 316 TRP TRP A . n A 1 317 THR 317 317 317 THR THR A . n A 1 318 ASP 318 318 318 ASP ASP A . n A 1 319 VAL 319 319 319 VAL VAL A . n A 1 320 SER 320 320 320 SER SER A . n A 1 321 VAL 321 321 321 VAL VAL A . n A 1 322 SER 322 322 322 SER SER A . n A 1 323 GLY 323 323 323 GLY GLY A . n A 1 324 GLY 324 324 324 GLY GLY A . n A 1 325 LYS 325 325 325 LYS LYS A . n A 1 326 THR 326 326 326 THR THR A . n A 1 327 SER 327 327 327 SER SER A . n A 1 328 SER 328 328 328 SER SER A . n A 1 329 LYS 329 329 329 LYS LYS A . n A 1 330 CYS 330 330 330 CYS CYS A . n A 1 331 THR 331 331 331 THR THR A . n A 1 332 ASN 332 332 332 ASN ASN A . n A 1 333 VAL 333 333 333 VAL VAL A . n A 1 334 PRO 334 334 334 PRO PRO A . n A 1 335 SER 335 335 335 SER SER A . n A 1 336 GLY 336 336 336 GLY GLY A . n A 1 337 ALA 337 337 337 ALA ALA A . n A 1 338 SER 338 338 338 SER SER A . n A 1 339 CYS 339 339 339 CYS CYS A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 MAN 1 405 405 MAN MAN A . C 2 MAN 1 407 407 MAN MAN A . D 2 MAN 1 409 409 MAN MAN A . E 2 MAN 1 413 413 MAN MAN A . F 2 MAN 1 414 414 MAN MAN A . G 2 MAN 1 416 416 MAN MAN A . H 2 MAN 1 418 418 MAN MAN A . I 2 MAN 1 423 423 MAN MAN A . J 2 MAN 1 424 424 MAN MAN A . K 2 MAN 1 434 434 MAN MAN A . L 3 NAG 1 351 351 NAG NAG A . M 3 NAG 2 352 352 NAG NAG A . N 2 MAN 3 353 353 MAN MAN A . O 4 HOH 1 501 501 HOH HOH A . O 4 HOH 2 502 502 HOH HOH A . O 4 HOH 3 503 503 HOH HOH A . O 4 HOH 4 504 504 HOH HOH A . O 4 HOH 5 505 505 HOH HOH A . O 4 HOH 6 506 506 HOH HOH A . O 4 HOH 7 507 507 HOH HOH A . O 4 HOH 8 508 508 HOH HOH A . O 4 HOH 9 509 509 HOH HOH A . O 4 HOH 10 510 510 HOH HOH A . O 4 HOH 11 511 511 HOH HOH A . O 4 HOH 12 512 512 HOH HOH A . O 4 HOH 13 513 513 HOH HOH A . O 4 HOH 14 514 514 HOH HOH A . O 4 HOH 15 515 515 HOH HOH A . O 4 HOH 16 516 516 HOH HOH A . O 4 HOH 17 517 517 HOH HOH A . O 4 HOH 18 518 518 HOH HOH A . O 4 HOH 19 519 519 HOH HOH A . O 4 HOH 20 520 520 HOH HOH A . O 4 HOH 21 521 521 HOH HOH A . O 4 HOH 22 522 522 HOH HOH A . O 4 HOH 23 523 523 HOH HOH A . O 4 HOH 24 524 524 HOH HOH A . O 4 HOH 25 525 525 HOH HOH A . O 4 HOH 26 526 526 HOH HOH A . O 4 HOH 27 527 527 HOH HOH A . O 4 HOH 28 528 528 HOH HOH A . O 4 HOH 29 529 529 HOH HOH A . O 4 HOH 30 530 530 HOH HOH A . O 4 HOH 31 531 531 HOH HOH A . O 4 HOH 32 532 532 HOH HOH A . O 4 HOH 33 533 533 HOH HOH A . O 4 HOH 34 534 534 HOH HOH A . O 4 HOH 35 535 535 HOH HOH A . O 4 HOH 36 536 536 HOH HOH A . O 4 HOH 37 537 537 HOH HOH A . O 4 HOH 38 538 538 HOH HOH A . O 4 HOH 39 539 539 HOH HOH A . O 4 HOH 40 540 540 HOH HOH A . O 4 HOH 41 541 541 HOH HOH A . O 4 HOH 42 542 542 HOH HOH A . O 4 HOH 43 543 543 HOH HOH A . O 4 HOH 44 544 544 HOH HOH A . O 4 HOH 45 545 545 HOH HOH A . O 4 HOH 46 546 546 HOH HOH A . O 4 HOH 47 547 547 HOH HOH A . O 4 HOH 48 548 548 HOH HOH A . O 4 HOH 49 549 549 HOH HOH A . O 4 HOH 50 550 550 HOH HOH A . O 4 HOH 51 551 551 HOH HOH A . O 4 HOH 52 552 552 HOH HOH A . O 4 HOH 53 553 553 HOH HOH A . O 4 HOH 54 554 554 HOH HOH A . O 4 HOH 55 555 555 HOH HOH A . O 4 HOH 56 556 556 HOH HOH A . O 4 HOH 57 557 557 HOH HOH A . O 4 HOH 58 558 558 HOH HOH A . O 4 HOH 59 559 559 HOH HOH A . O 4 HOH 60 560 560 HOH HOH A . O 4 HOH 61 561 561 HOH HOH A . O 4 HOH 62 562 562 HOH HOH A . O 4 HOH 63 563 563 HOH HOH A . O 4 HOH 64 564 564 HOH HOH A . O 4 HOH 65 565 565 HOH HOH A . O 4 HOH 66 566 566 HOH HOH A . O 4 HOH 67 567 567 HOH HOH A . O 4 HOH 68 568 568 HOH HOH A . O 4 HOH 69 569 569 HOH HOH A . O 4 HOH 70 570 570 HOH HOH A . O 4 HOH 71 571 571 HOH HOH A . O 4 HOH 72 572 572 HOH HOH A . O 4 HOH 73 573 573 HOH HOH A . O 4 HOH 74 574 574 HOH HOH A . O 4 HOH 75 575 575 HOH HOH A . O 4 HOH 76 576 576 HOH HOH A . O 4 HOH 77 577 577 HOH HOH A . O 4 HOH 78 578 578 HOH HOH A . O 4 HOH 79 579 579 HOH HOH A . O 4 HOH 80 580 580 HOH HOH A . O 4 HOH 81 581 581 HOH HOH A . O 4 HOH 82 582 582 HOH HOH A . O 4 HOH 83 583 583 HOH HOH A . O 4 HOH 84 584 584 HOH HOH A . O 4 HOH 85 585 585 HOH HOH A . O 4 HOH 86 586 586 HOH HOH A . O 4 HOH 87 587 587 HOH HOH A . O 4 HOH 88 588 588 HOH HOH A . O 4 HOH 89 589 589 HOH HOH A . O 4 HOH 90 590 590 HOH HOH A . O 4 HOH 91 591 591 HOH HOH A . O 4 HOH 92 592 592 HOH HOH A . O 4 HOH 93 593 593 HOH HOH A . O 4 HOH 94 594 594 HOH HOH A . O 4 HOH 95 595 595 HOH HOH A . O 4 HOH 96 596 596 HOH HOH A . O 4 HOH 97 597 597 HOH HOH A . O 4 HOH 98 598 598 HOH HOH A . O 4 HOH 99 599 599 HOH HOH A . O 4 HOH 100 600 600 HOH HOH A . O 4 HOH 101 601 601 HOH HOH A . O 4 HOH 102 602 602 HOH HOH A . O 4 HOH 103 603 603 HOH HOH A . O 4 HOH 104 604 604 HOH HOH A . O 4 HOH 105 605 605 HOH HOH A . O 4 HOH 106 606 606 HOH HOH A . O 4 HOH 107 607 607 HOH HOH A . O 4 HOH 108 608 608 HOH HOH A . O 4 HOH 109 609 609 HOH HOH A . O 4 HOH 110 610 610 HOH HOH A . O 4 HOH 111 611 611 HOH HOH A . O 4 HOH 112 612 612 HOH HOH A . O 4 HOH 113 613 613 HOH HOH A . O 4 HOH 114 614 614 HOH HOH A . O 4 HOH 115 615 615 HOH HOH A . O 4 HOH 116 616 616 HOH HOH A . O 4 HOH 117 617 617 HOH HOH A . O 4 HOH 118 618 618 HOH HOH A . O 4 HOH 119 619 619 HOH HOH A . O 4 HOH 120 620 620 HOH HOH A . O 4 HOH 121 621 621 HOH HOH A . O 4 HOH 122 622 622 HOH HOH A . O 4 HOH 123 623 623 HOH HOH A . O 4 HOH 124 624 624 HOH HOH A . O 4 HOH 125 625 625 HOH HOH A . O 4 HOH 126 626 626 HOH HOH A . O 4 HOH 127 627 627 HOH HOH A . O 4 HOH 128 628 628 HOH HOH A . O 4 HOH 129 629 629 HOH HOH A . O 4 HOH 130 630 630 HOH HOH A . O 4 HOH 131 631 631 HOH HOH A . O 4 HOH 132 632 632 HOH HOH A . O 4 HOH 133 633 633 HOH HOH A . O 4 HOH 134 634 634 HOH HOH A . O 4 HOH 135 635 635 HOH HOH A . O 4 HOH 136 636 636 HOH HOH A . O 4 HOH 137 637 637 HOH HOH A . O 4 HOH 138 638 638 HOH HOH A . O 4 HOH 139 639 639 HOH HOH A . O 4 HOH 140 640 640 HOH HOH A . O 4 HOH 141 641 641 HOH HOH A . O 4 HOH 142 642 642 HOH HOH A . O 4 HOH 143 643 643 HOH HOH A . O 4 HOH 144 644 644 HOH HOH A . O 4 HOH 145 645 645 HOH HOH A . O 4 HOH 146 646 646 HOH HOH A . O 4 HOH 147 647 647 HOH HOH A . O 4 HOH 148 648 648 HOH HOH A . O 4 HOH 149 649 649 HOH HOH A . O 4 HOH 150 650 650 HOH HOH A . O 4 HOH 151 651 651 HOH HOH A . O 4 HOH 152 652 652 HOH HOH A . O 4 HOH 153 653 653 HOH HOH A . O 4 HOH 154 654 654 HOH HOH A . O 4 HOH 155 655 655 HOH HOH A . O 4 HOH 156 656 656 HOH HOH A . O 4 HOH 157 657 657 HOH HOH A . O 4 HOH 158 658 658 HOH HOH A . O 4 HOH 159 659 659 HOH HOH A . O 4 HOH 160 660 660 HOH HOH A . O 4 HOH 161 661 661 HOH HOH A . O 4 HOH 162 662 662 HOH HOH A . O 4 HOH 163 663 663 HOH HOH A . O 4 HOH 164 664 664 HOH HOH A . O 4 HOH 165 665 665 HOH HOH A . O 4 HOH 166 666 666 HOH HOH A . O 4 HOH 167 667 667 HOH HOH A . O 4 HOH 168 668 668 HOH HOH A . O 4 HOH 169 669 669 HOH HOH A . O 4 HOH 170 670 670 HOH HOH A . O 4 HOH 171 671 671 HOH HOH A . O 4 HOH 172 672 672 HOH HOH A . O 4 HOH 173 673 673 HOH HOH A . O 4 HOH 174 674 674 HOH HOH A . O 4 HOH 175 675 675 HOH HOH A . O 4 HOH 176 676 676 HOH HOH A . O 4 HOH 177 677 677 HOH HOH A . O 4 HOH 178 678 678 HOH HOH A . O 4 HOH 179 679 679 HOH HOH A . O 4 HOH 180 680 680 HOH HOH A . O 4 HOH 181 681 681 HOH HOH A . O 4 HOH 182 682 682 HOH HOH A . O 4 HOH 183 683 683 HOH HOH A . O 4 HOH 184 684 684 HOH HOH A . O 4 HOH 185 685 685 HOH HOH A . O 4 HOH 186 686 686 HOH HOH A . O 4 HOH 187 687 687 HOH HOH A . O 4 HOH 188 688 688 HOH HOH A . O 4 HOH 189 689 689 HOH HOH A . O 4 HOH 190 690 690 HOH HOH A . O 4 HOH 191 691 691 HOH HOH A . O 4 HOH 192 692 692 HOH HOH A . O 4 HOH 193 693 693 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A SER 9 A SER 9 ? SER 'GLYCOSYLATION SITE' 2 A THR 24 A THR 24 ? THR 'GLYCOSYLATION SITE' 3 A THR 5 A THR 5 ? THR 'GLYCOSYLATION SITE' 4 A SER 23 A SER 23 ? SER 'GLYCOSYLATION SITE' 5 A SER 7 A SER 7 ? SER 'GLYCOSYLATION SITE' 6 A SER 18 A SER 18 ? SER 'GLYCOSYLATION SITE' 7 A SER 14 A SER 14 ? SER 'GLYCOSYLATION SITE' 8 A SER 16 A SER 16 ? SER 'GLYCOSYLATION SITE' 9 A SER 34 A SER 34 ? SER 'GLYCOSYLATION SITE' 10 A SER 13 A SER 13 ? SER 'GLYCOSYLATION SITE' 11 A ASN 219 A ASN 219 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2001-09-19 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-04 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 4 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MADNESS 'data collection' . ? 1 SCALA 'data scaling' . ? 2 SHARP phasing . ? 3 CNS refinement . ? 4 MADNESS 'data reduction' . ? 5 CCP4 'data scaling' '(SCALA)' ? 6 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 GLU _pdbx_validate_rmsd_bond.auth_seq_id_1 95 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OE2 _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 GLU _pdbx_validate_rmsd_bond.auth_seq_id_2 95 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.318 _pdbx_validate_rmsd_bond.bond_target_value 1.252 _pdbx_validate_rmsd_bond.bond_deviation 0.066 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.011 _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 CD A ARG 212 ? ? NE A ARG 212 ? ? CZ A ARG 212 ? ? 132.88 123.60 9.28 1.40 N 2 1 C A GLY 323 ? ? N A GLY 324 ? ? CA A GLY 324 ? ? 137.40 122.30 15.10 2.10 Y # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 38 ? ? -68.98 98.17 2 1 ASP A 93 ? ? -141.52 18.13 3 1 VAL A 127 ? ? -145.79 -131.63 4 1 VAL A 129 ? ? -94.20 -81.63 5 1 THR A 158 ? ? -97.18 44.68 6 1 ASP A 159 ? ? -39.70 131.47 7 1 THR A 165 ? ? 37.35 54.46 8 1 ASP A 180 ? ? -147.04 -159.87 9 1 ASN A 190 ? ? 62.24 63.55 10 1 ASN A 219 ? ? 59.34 75.74 11 1 ASP A 272 ? ? -154.41 79.71 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 water HOH #