data_1QNP # _entry.id 1QNP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1QNP PDBE EBI-4280 WWPDB D_1290004280 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1QNO unspecified 'THE 3-D STRUCTURE OF A TRICHODERMA REESEI B-MANNANASE FROM GLYCOSIDE HYDROLASE FAMILY 5' PDB 1QNQ unspecified 'THE 3-D STRUCTURE OF A TRICHODERMA REESEI B-MANNANASE FROM GLYCOSIDE HYDROLASE FAMILY 5' PDB 1QNR unspecified 'THE 3-D STRUCTURE OF A TRICHODERMA REESEI B-MANNANASE FROM GLYCOSIDE HYDROLASE FAMILY 5' PDB 1QNS unspecified 'THE 3-D STRUCTURE OF A TRICHODERMA REESEI B-MANNANASE FROM GLYCOSIDE HYDROLASE FAMILY 5' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1QNP _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 1999-10-20 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _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 'Sabini, E.' 1 'Schubert, H.' 2 'Murshudov, G.' 3 'Wilson, K.S.' 4 'Siika-Aho, M.' 5 'Penttila, M.' 6 # _citation.id primary _citation.title 'The Three-Dimensional Structure of a Trichoderma Reesei Beta-Mannanase from Glycoside Hydrolase Family 5.' _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 56 _citation.page_first 3 _citation.page_last ? _citation.year 2000 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 10666621 _citation.pdbx_database_id_DOI 10.1107/S0907444999013943 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sabini, E.' 1 primary 'Schubert, H.' 2 primary 'Murshudov, G.' 3 primary 'Wilson, K.S.' 4 primary 'Siika-Aho, M.' 5 primary 'Penttila, M.' 6 # _cell.entry_id 1QNP _cell.length_a 50.180 _cell.length_b 54.600 _cell.length_c 60.760 _cell.angle_alpha 90.00 _cell.angle_beta 111.23 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1QNP _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man ENDO-1,4-B-D-MANNANASE 37747.137 1 3.2.1.78 ? 'CATALYTIC DOMAIN' ? 2 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 water nat water 18.015 477 ? ? ? ? # _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 ;ASSFVTISGTQFNIDGKVGYFAGTNCYWCSFLTNHADVDSTFSHISSSGLKVVRVWGFNDVNTQPSPGQIWFQKLSATGS TINTGADGLQTLDYVVQSAEQHNLKLIIPFVNNWSDYGGINAYVNAFGGNATTWYTNTAAQTQYRKYVQAVVSRYANSTA IFAWELGNEPRCNGCSTDVIVQWATSVSQYVKSLDSNHLVTLGDEGLGLSTGDGAYPYTYGEGTDFAKNVQIKSLDFGTF HLYPDSWGTNYTWGNGWIQTHAAACLAAGKPCVFEEYGAQQNPCTNEAPWQTTSLTTRGMGGDMFWQWGDTFANGAQSNS DPYTVWYNSSNWQCLVKNHVDAIN ; _entity_poly.pdbx_seq_one_letter_code_can ;ASSFVTISGTQFNIDGKVGYFAGTNCYWCSFLTNHADVDSTFSHISSSGLKVVRVWGFNDVNTQPSPGQIWFQKLSATGS TINTGADGLQTLDYVVQSAEQHNLKLIIPFVNNWSDYGGINAYVNAFGGNATTWYTNTAAQTQYRKYVQAVVSRYANSTA IFAWELGNEPRCNGCSTDVIVQWATSVSQYVKSLDSNHLVTLGDEGLGLSTGDGAYPYTYGEGTDFAKNVQIKSLDFGTF HLYPDSWGTNYTWGNGWIQTHAAACLAAGKPCVFEEYGAQQNPCTNEAPWQTTSLTTRGMGGDMFWQWGDTFANGAQSNS DPYTVWYNSSNWQCLVKNHVDAIN ; _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 SER n 1 3 SER n 1 4 PHE n 1 5 VAL n 1 6 THR n 1 7 ILE n 1 8 SER n 1 9 GLY n 1 10 THR n 1 11 GLN n 1 12 PHE n 1 13 ASN n 1 14 ILE n 1 15 ASP n 1 16 GLY n 1 17 LYS n 1 18 VAL n 1 19 GLY n 1 20 TYR n 1 21 PHE n 1 22 ALA n 1 23 GLY n 1 24 THR n 1 25 ASN n 1 26 CYS n 1 27 TYR n 1 28 TRP n 1 29 CYS n 1 30 SER n 1 31 PHE n 1 32 LEU n 1 33 THR n 1 34 ASN n 1 35 HIS n 1 36 ALA n 1 37 ASP n 1 38 VAL n 1 39 ASP n 1 40 SER n 1 41 THR n 1 42 PHE n 1 43 SER n 1 44 HIS n 1 45 ILE n 1 46 SER n 1 47 SER n 1 48 SER n 1 49 GLY n 1 50 LEU n 1 51 LYS n 1 52 VAL n 1 53 VAL n 1 54 ARG n 1 55 VAL n 1 56 TRP n 1 57 GLY n 1 58 PHE n 1 59 ASN n 1 60 ASP n 1 61 VAL n 1 62 ASN n 1 63 THR n 1 64 GLN n 1 65 PRO n 1 66 SER n 1 67 PRO n 1 68 GLY n 1 69 GLN n 1 70 ILE n 1 71 TRP n 1 72 PHE n 1 73 GLN n 1 74 LYS n 1 75 LEU n 1 76 SER n 1 77 ALA n 1 78 THR n 1 79 GLY n 1 80 SER n 1 81 THR n 1 82 ILE n 1 83 ASN n 1 84 THR n 1 85 GLY n 1 86 ALA n 1 87 ASP n 1 88 GLY n 1 89 LEU n 1 90 GLN n 1 91 THR n 1 92 LEU n 1 93 ASP n 1 94 TYR n 1 95 VAL n 1 96 VAL n 1 97 GLN n 1 98 SER n 1 99 ALA n 1 100 GLU n 1 101 GLN n 1 102 HIS n 1 103 ASN n 1 104 LEU n 1 105 LYS n 1 106 LEU n 1 107 ILE n 1 108 ILE n 1 109 PRO n 1 110 PHE n 1 111 VAL n 1 112 ASN n 1 113 ASN n 1 114 TRP n 1 115 SER n 1 116 ASP n 1 117 TYR n 1 118 GLY n 1 119 GLY n 1 120 ILE n 1 121 ASN n 1 122 ALA n 1 123 TYR n 1 124 VAL n 1 125 ASN n 1 126 ALA n 1 127 PHE n 1 128 GLY n 1 129 GLY n 1 130 ASN n 1 131 ALA n 1 132 THR n 1 133 THR n 1 134 TRP n 1 135 TYR n 1 136 THR n 1 137 ASN n 1 138 THR n 1 139 ALA n 1 140 ALA n 1 141 GLN n 1 142 THR n 1 143 GLN n 1 144 TYR n 1 145 ARG n 1 146 LYS n 1 147 TYR n 1 148 VAL n 1 149 GLN n 1 150 ALA n 1 151 VAL n 1 152 VAL n 1 153 SER n 1 154 ARG n 1 155 TYR n 1 156 ALA n 1 157 ASN n 1 158 SER n 1 159 THR n 1 160 ALA n 1 161 ILE n 1 162 PHE n 1 163 ALA n 1 164 TRP n 1 165 GLU n 1 166 LEU n 1 167 GLY n 1 168 ASN n 1 169 GLU n 1 170 PRO n 1 171 ARG n 1 172 CYS n 1 173 ASN n 1 174 GLY n 1 175 CYS n 1 176 SER n 1 177 THR n 1 178 ASP n 1 179 VAL n 1 180 ILE n 1 181 VAL n 1 182 GLN n 1 183 TRP n 1 184 ALA n 1 185 THR n 1 186 SER n 1 187 VAL n 1 188 SER n 1 189 GLN n 1 190 TYR n 1 191 VAL n 1 192 LYS n 1 193 SER n 1 194 LEU n 1 195 ASP n 1 196 SER n 1 197 ASN n 1 198 HIS n 1 199 LEU n 1 200 VAL n 1 201 THR n 1 202 LEU n 1 203 GLY n 1 204 ASP n 1 205 GLU n 1 206 GLY n 1 207 LEU n 1 208 GLY n 1 209 LEU n 1 210 SER n 1 211 THR n 1 212 GLY n 1 213 ASP n 1 214 GLY n 1 215 ALA n 1 216 TYR n 1 217 PRO n 1 218 TYR n 1 219 THR n 1 220 TYR n 1 221 GLY n 1 222 GLU n 1 223 GLY n 1 224 THR n 1 225 ASP n 1 226 PHE n 1 227 ALA n 1 228 LYS n 1 229 ASN n 1 230 VAL n 1 231 GLN n 1 232 ILE n 1 233 LYS n 1 234 SER n 1 235 LEU n 1 236 ASP n 1 237 PHE n 1 238 GLY n 1 239 THR n 1 240 PHE n 1 241 HIS n 1 242 LEU n 1 243 TYR n 1 244 PRO n 1 245 ASP n 1 246 SER n 1 247 TRP n 1 248 GLY n 1 249 THR n 1 250 ASN n 1 251 TYR n 1 252 THR n 1 253 TRP n 1 254 GLY n 1 255 ASN n 1 256 GLY n 1 257 TRP n 1 258 ILE n 1 259 GLN n 1 260 THR n 1 261 HIS n 1 262 ALA n 1 263 ALA n 1 264 ALA n 1 265 CYS n 1 266 LEU n 1 267 ALA n 1 268 ALA n 1 269 GLY n 1 270 LYS n 1 271 PRO n 1 272 CYS n 1 273 VAL n 1 274 PHE n 1 275 GLU n 1 276 GLU n 1 277 TYR n 1 278 GLY n 1 279 ALA n 1 280 GLN n 1 281 GLN n 1 282 ASN n 1 283 PRO n 1 284 CYS n 1 285 THR n 1 286 ASN n 1 287 GLU n 1 288 ALA n 1 289 PRO n 1 290 TRP n 1 291 GLN n 1 292 THR n 1 293 THR n 1 294 SER n 1 295 LEU n 1 296 THR n 1 297 THR n 1 298 ARG n 1 299 GLY n 1 300 MET n 1 301 GLY n 1 302 GLY n 1 303 ASP n 1 304 MET n 1 305 PHE n 1 306 TRP n 1 307 GLN n 1 308 TRP n 1 309 GLY n 1 310 ASP n 1 311 THR n 1 312 PHE n 1 313 ALA n 1 314 ASN n 1 315 GLY n 1 316 ALA n 1 317 GLN n 1 318 SER n 1 319 ASN n 1 320 SER n 1 321 ASP n 1 322 PRO n 1 323 TYR n 1 324 THR n 1 325 VAL n 1 326 TRP n 1 327 TYR n 1 328 ASN n 1 329 SER n 1 330 SER n 1 331 ASN n 1 332 TRP n 1 333 GLN n 1 334 CYS n 1 335 LEU n 1 336 VAL n 1 337 LYS n 1 338 ASN n 1 339 HIS n 1 340 VAL n 1 341 ASP n 1 342 ALA n 1 343 ILE n 1 344 ASN n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ALKO4330 _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'TRICHODERMA REESEI' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 51453 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'TRICHODERMA REESEI' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 51453 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene 'CBH1 PROMOTER' _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ALKO4330 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location SECRETED _entity_src_gen.pdbx_host_org_vector_type INTEGRATIVE _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q99036 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession Q99036 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1QNP _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 344 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q99036 _struct_ref_seq.db_align_beg 28 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 371 _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 344 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 1QNP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.9 _exptl_crystal.density_percent_sol 36 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.50 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '2M AMMONIUM SULPHATE, 0.1M GLYCINE PH 8.5' # _diffrn.id 1 _diffrn.ambient_temp 110.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'SI(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.946 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-4' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-4 _diffrn_source.pdbx_wavelength 0.946 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 1QNP _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 20.000 _reflns.d_resolution_high 1.500 _reflns.number_obs 48906 _reflns.number_all ? _reflns.percent_possible_obs 99.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.06300 _reflns.pdbx_netI_over_sigmaI 20.9000 _reflns.B_iso_Wilson_estimate 9.72 _reflns.pdbx_redundancy 3.700 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.50 _reflns_shell.d_res_low 1.53 _reflns_shell.percent_possible_all 95.4 _reflns_shell.Rmerge_I_obs 0.06300 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 20.900 _reflns_shell.pdbx_redundancy 3.40 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 1QNP _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 48906 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.0 _refine.ls_d_res_high 1.50 _refine.ls_percent_reflns_obs 99.8 _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.127 _refine.ls_R_factor_R_free 0.174 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 11.8 _refine.aniso_B[1][1] -0.378 _refine.aniso_B[2][2] 0.091 _refine.aniso_B[3][3] 0.290 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 0.216 _refine.aniso_B[2][3] 0.000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct OTHER _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.08414 _refine.pdbx_overall_ESU_R_Free 0.07040 _refine.overall_SU_ML 0.04359 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 1.14876 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2669 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 67 _refine_hist.number_atoms_solvent 477 _refine_hist.number_atoms_total 3213 _refine_hist.d_res_high 1.50 _refine_hist.d_res_low 20.0 # 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 p_bond_d 0.016 0.020 ? ? 'X-RAY DIFFRACTION' ? p_angle_d 0.031 0.040 ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d 0.036 0.050 ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it 2.015 2.000 ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it 2.567 3.000 ? ? 'X-RAY DIFFRACTION' ? p_scbond_it 2.379 2.000 ? ? 'X-RAY DIFFRACTION' ? p_scangle_it 3.025 3.000 ? ? 'X-RAY DIFFRACTION' ? p_plane_restr 0.0275 ? ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr 0.132 0.150 ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd 0.166 0.300 ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd 0.256 0.300 ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor 5.0 7.0 ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor 11.7 15.0 ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor 36.7 20.0 ? ? 'X-RAY DIFFRACTION' ? p_special_tor 15.0 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1QNP _struct.title 'The 3-D structure of a Trichoderma reesei b-mannanase from glycoside hydrolase family 5' _struct.pdbx_descriptor 'ENDO-1,4-B-D-MANNANASE (E.C.3.2.1.78)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1QNP _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, MANNANASE, TRICHODERMA REESEI, ANOMALOUS SCATTERING' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? # _struct_biol.id 1 # 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 TYR A 27 ? LEU A 32 ? TYR A 27 LEU A 32 5 ? 6 HELX_P HELX_P2 2 ASN A 34 ? SER A 48 ? ASN A 34 SER A 48 1 ? 15 HELX_P HELX_P3 3 GLY A 88 ? ASN A 103 ? GLY A 88 ASN A 103 1 ? 16 HELX_P HELX_P4 4 GLY A 118 ? GLY A 128 ? GLY A 118 GLY A 128 1 ? 11 HELX_P HELX_P5 5 THR A 132 ? THR A 136 ? THR A 132 THR A 136 5 ? 5 HELX_P HELX_P6 6 ASN A 137 ? ALA A 156 ? ASN A 137 ALA A 156 1 ? 20 HELX_P HELX_P7 7 THR A 177 ? ASP A 195 ? THR A 177 ASP A 195 1 ? 19 HELX_P HELX_P8 8 ALA A 215 ? THR A 219 ? ALA A 215 THR A 219 5 ? 5 HELX_P HELX_P9 9 ASP A 225 ? GLN A 231 ? ASP A 225 GLN A 231 1 ? 7 HELX_P HELX_P10 10 TYR A 243 ? GLY A 248 ? TYR A 243 GLY A 248 1 ? 6 HELX_P HELX_P11 11 THR A 252 ? ALA A 268 ? THR A 252 ALA A 268 1 ? 17 HELX_P HELX_P12 12 ASN A 282 ? THR A 296 ? ASN A 282 THR A 296 1 ? 15 HELX_P HELX_P13 13 SER A 329 ? VAL A 336 ? SER A 329 VAL A 336 1 ? 8 HELX_P HELX_P14 14 VAL A 336 ? ASN A 344 ? VAL A 336 ASN A 344 1 ? 9 # _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 26 SG ? ? ? 1_555 A CYS 29 SG ? ? A CYS 26 A CYS 29 1_555 ? ? ? ? ? ? ? 2.042 ? disulf2 disulf ? ? A CYS 172 SG ? ? ? 1_555 A CYS 175 SG ? ? A CYS 172 A CYS 175 1_555 ? ? ? ? ? ? ? 2.072 ? disulf3 disulf ? ? A CYS 265 SG ? ? ? 1_555 A CYS 272 SG ? ? A CYS 265 A CYS 272 1_555 ? ? ? ? ? ? ? 2.052 ? disulf4 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 284 A CYS 334 1_555 ? ? ? ? ? ? ? 2.047 ? covale1 covale ? ? A ASN 130 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 130 A NAG 430 1_555 ? ? ? ? ? ? ? 1.602 ? covale2 covale ? ? A ASN 157 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 157 A NAG 431 1_555 ? ? ? ? ? ? ? 1.580 ? covale3 covale ? ? A ASN 250 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 250 A NAG 432 1_555 ? ? ? ? ? ? ? 1.634 ? covale4 covale ? ? A ASN 328 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 328 A NAG 433 1_555 ? ? ? ? ? ? ? 1.609 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id TRP _struct_mon_prot_cis.label_seq_id 306 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id TRP _struct_mon_prot_cis.auth_seq_id 306 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 GLN _struct_mon_prot_cis.pdbx_label_seq_id_2 307 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 GLN _struct_mon_prot_cis.pdbx_auth_seq_id_2 307 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 8.32 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 8 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? parallel B 2 3 ? parallel B 3 4 ? parallel B 4 5 ? parallel B 5 6 ? parallel B 6 7 ? parallel B 7 8 ? 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 6 ? SER A 8 ? THR A 6 SER A 8 A 2 GLN A 11 ? ASN A 13 ? GLN A 11 ASN A 13 B 1 LEU A 199 ? THR A 201 ? LEU A 199 THR A 201 B 2 ILE A 161 ? GLU A 165 ? ILE A 161 GLU A 165 B 3 LYS A 105 ? PRO A 109 ? LYS A 105 PRO A 109 B 4 VAL A 52 ? TRP A 56 ? VAL A 52 TRP A 56 B 5 PHE A 21 ? ASN A 25 ? PHE A 21 ASN A 25 B 6 MET A 300 ? PHE A 305 ? MET A 300 PHE A 305 B 7 CYS A 272 ? TYR A 277 ? CYS A 272 TYR A 277 B 8 GLY A 238 ? LEU A 242 ? GLY A 238 LEU A 242 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O THR A 6 ? O THR A 6 N ASN A 13 ? N ASN A 13 B 1 2 O LEU A 199 ? O LEU A 199 N TRP A 164 ? N TRP A 164 B 2 3 O PHE A 162 ? O PHE A 162 N LEU A 106 ? N LEU A 106 B 3 4 O LYS A 105 ? O LYS A 105 N VAL A 53 ? N VAL A 53 B 4 5 O VAL A 52 ? O VAL A 52 N THR A 24 ? N THR A 24 B 5 6 O PHE A 21 ? O PHE A 21 N ASP A 303 ? N ASP A 303 B 6 7 O GLY A 301 ? O GLY A 301 N CYS A 272 ? N CYS A 272 B 7 8 O VAL A 273 ? O VAL A 273 N GLY A 238 ? N GLY A 238 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 402' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GOL A 410' AC3 Software ? ? ? ? 5 'Binding site for Mono-Saccharide NAG A 430 bound to ASN A 130' AC4 Software ? ? ? ? 10 'Binding site for Mono-Saccharide NAG A 431 bound to ASN A 157' AC5 Software ? ? ? ? 2 'Binding site for Mono-Saccharide NAG A 432 bound to ASN A 250' AC6 Software ? ? ? ? 5 'Binding site for Mono-Saccharide NAG A 433 bound to ASN A 328' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 ASN A 282 ? ASN A 282 . ? 1_555 ? 2 AC1 4 PRO A 283 ? PRO A 283 . ? 1_555 ? 3 AC1 4 CYS A 284 ? CYS A 284 . ? 1_555 ? 4 AC1 4 THR A 285 ? THR A 285 . ? 1_555 ? 5 AC2 5 TYR A 27 ? TYR A 27 . ? 1_555 ? 6 AC2 5 TRP A 56 ? TRP A 56 . ? 1_555 ? 7 AC2 5 ASP A 116 ? ASP A 116 . ? 1_555 ? 8 AC2 5 TRP A 306 ? TRP A 306 . ? 1_555 ? 9 AC2 5 HOH H . ? HOH A 2213 . ? 1_555 ? 10 AC3 5 ASN A 130 ? ASN A 130 . ? 1_555 ? 11 AC3 5 THR A 133 ? THR A 133 . ? 1_555 ? 12 AC3 5 HOH H . ? HOH A 2239 . ? 1_555 ? 13 AC3 5 HOH H . ? HOH A 2466 . ? 1_555 ? 14 AC3 5 HOH H . ? HOH A 2467 . ? 1_555 ? 15 AC4 10 ASN A 157 ? ASN A 157 . ? 1_555 ? 16 AC4 10 ASP A 195 ? ASP A 195 . ? 1_555 ? 17 AC4 10 SER A 196 ? SER A 196 . ? 1_555 ? 18 AC4 10 ASN A 197 ? ASN A 197 . ? 1_555 ? 19 AC4 10 HOH H . ? HOH A 2315 . ? 1_555 ? 20 AC4 10 HOH H . ? HOH A 2469 . ? 1_555 ? 21 AC4 10 HOH H . ? HOH A 2470 . ? 1_555 ? 22 AC4 10 HOH H . ? HOH A 2471 . ? 1_555 ? 23 AC4 10 HOH H . ? HOH A 2472 . ? 1_555 ? 24 AC4 10 HOH H . ? HOH A 2473 . ? 1_555 ? 25 AC5 2 ASN A 250 ? ASN A 250 . ? 1_555 ? 26 AC5 2 THR A 252 ? THR A 252 . ? 1_555 ? 27 AC6 5 HIS A 44 ? HIS A 44 . ? 1_555 ? 28 AC6 5 ARG A 145 ? ARG A 145 . ? 1_455 ? 29 AC6 5 ASN A 328 ? ASN A 328 . ? 1_555 ? 30 AC6 5 HOH H . ? HOH A 2474 . ? 1_555 ? 31 AC6 5 HOH H . ? HOH A 2476 . ? 1_555 ? # _database_PDB_matrix.entry_id 1QNP _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1QNP _atom_sites.fract_transf_matrix[1][1] 0.019928 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007742 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.018315 _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] 0.017656 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? -1.961 52.023 10.464 1.00 44.50 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? -0.537 52.374 10.148 1.00 44.35 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 0.208 51.144 9.630 1.00 44.01 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? -0.409 50.066 9.548 1.00 44.36 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 0.146 52.903 11.404 1.00 44.29 ? 1 ALA A CB 1 ATOM 6 N N . SER A 1 2 ? 1.483 51.317 9.282 1.00 42.44 ? 2 SER A N 1 ATOM 7 C CA . SER A 1 2 ? 2.266 50.145 8.864 1.00 40.04 ? 2 SER A CA 1 ATOM 8 C C . SER A 1 2 ? 3.709 50.379 9.323 1.00 37.18 ? 2 SER A C 1 ATOM 9 O O . SER A 1 2 ? 4.287 51.362 8.828 1.00 38.90 ? 2 SER A O 1 ATOM 10 C CB . SER A 1 2 ? 2.222 49.797 7.382 1.00 40.68 ? 2 SER A CB 1 ATOM 11 O OG . SER A 1 2 ? 2.761 48.468 7.238 1.00 40.32 ? 2 SER A OG 1 ATOM 12 N N . SER A 1 3 ? 4.195 49.603 10.300 1.00 31.81 ? 3 SER A N 1 ATOM 13 C CA . SER A 1 3 ? 5.574 49.935 10.782 1.00 27.42 ? 3 SER A CA 1 ATOM 14 C C . SER A 1 3 ? 6.355 48.645 10.966 1.00 22.18 ? 3 SER A C 1 ATOM 15 O O . SER A 1 3 ? 5.651 47.637 10.767 1.00 23.17 ? 3 SER A O 1 ATOM 16 C CB . SER A 1 3 ? 5.551 50.675 12.134 1.00 26.83 ? 3 SER A CB 1 ATOM 17 O OG A SER A 1 3 ? 4.526 50.148 12.944 0.50 26.31 ? 3 SER A OG 1 ATOM 18 O OG B SER A 1 3 ? 4.424 51.514 12.252 0.50 28.05 ? 3 SER A OG 1 ATOM 19 N N . PHE A 1 4 ? 7.641 48.619 11.415 1.00 16.88 ? 4 PHE A N 1 ATOM 20 C CA . PHE A 1 4 ? 8.163 47.239 11.581 1.00 13.20 ? 4 PHE A CA 1 ATOM 21 C C . PHE A 1 4 ? 7.685 46.625 12.877 1.00 11.56 ? 4 PHE A C 1 ATOM 22 O O . PHE A 1 4 ? 7.452 47.390 13.852 1.00 12.59 ? 4 PHE A O 1 ATOM 23 C CB . PHE A 1 4 ? 9.702 47.279 11.637 1.00 10.71 ? 4 PHE A CB 1 ATOM 24 C CG . PHE A 1 4 ? 10.359 47.699 10.360 1.00 10.40 ? 4 PHE A CG 1 ATOM 25 C CD1 . PHE A 1 4 ? 10.264 46.895 9.237 1.00 10.80 ? 4 PHE A CD1 1 ATOM 26 C CD2 . PHE A 1 4 ? 11.070 48.909 10.272 1.00 11.12 ? 4 PHE A CD2 1 ATOM 27 C CE1 . PHE A 1 4 ? 10.879 47.272 8.047 1.00 10.41 ? 4 PHE A CE1 1 ATOM 28 C CE2 . PHE A 1 4 ? 11.707 49.282 9.094 1.00 11.56 ? 4 PHE A CE2 1 ATOM 29 C CZ . PHE A 1 4 ? 11.641 48.441 8.011 1.00 10.39 ? 4 PHE A CZ 1 ATOM 30 N N . VAL A 1 5 ? 7.472 45.300 12.879 1.00 10.02 ? 5 VAL A N 1 ATOM 31 C CA . VAL A 1 5 ? 7.021 44.658 14.124 1.00 9.59 ? 5 VAL A CA 1 ATOM 32 C C . VAL A 1 5 ? 8.161 44.645 15.142 1.00 10.47 ? 5 VAL A C 1 ATOM 33 O O . VAL A 1 5 ? 9.300 44.255 14.832 1.00 9.85 ? 5 VAL A O 1 ATOM 34 C CB . VAL A 1 5 ? 6.498 43.224 13.889 1.00 9.28 ? 5 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 5 ? 6.115 42.510 15.202 1.00 11.12 ? 5 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 5 ? 5.328 43.230 12.904 1.00 10.31 ? 5 VAL A CG2 1 ATOM 37 N N . THR A 1 6 ? 7.874 45.168 16.345 1.00 9.77 ? 6 THR A N 1 ATOM 38 C CA . THR A 1 6 ? 8.875 45.240 17.408 1.00 9.96 ? 6 THR A CA 1 ATOM 39 C C . THR A 1 6 ? 8.287 44.638 18.698 1.00 10.36 ? 6 THR A C 1 ATOM 40 O O . THR A 1 6 ? 7.126 44.222 18.747 1.00 10.74 ? 6 THR A O 1 ATOM 41 C CB . THR A 1 6 ? 9.350 46.681 17.721 1.00 11.61 ? 6 THR A CB 1 ATOM 42 O OG1 . THR A 1 6 ? 8.146 47.400 18.041 1.00 13.39 ? 6 THR A OG1 1 ATOM 43 C CG2 . THR A 1 6 ? 10.034 47.334 16.540 1.00 12.74 ? 6 THR A CG2 1 ATOM 44 N N . ILE A 1 7 ? 9.117 44.577 19.753 1.00 11.69 ? 7 ILE A N 1 ATOM 45 C CA . ILE A 1 7 ? 8.668 44.117 21.065 1.00 11.81 ? 7 ILE A CA 1 ATOM 46 C C . ILE A 1 7 ? 8.658 45.284 22.064 1.00 12.36 ? 7 ILE A C 1 ATOM 47 O O . ILE A 1 7 ? 9.664 45.987 22.130 1.00 13.24 ? 7 ILE A O 1 ATOM 48 C CB . ILE A 1 7 ? 9.585 42.974 21.568 1.00 12.13 ? 7 ILE A CB 1 ATOM 49 C CG1 . ILE A 1 7 ? 9.223 41.737 20.678 1.00 13.41 ? 7 ILE A CG1 1 ATOM 50 C CG2 . ILE A 1 7 ? 9.352 42.622 23.019 1.00 13.09 ? 7 ILE A CG2 1 ATOM 51 C CD1 . ILE A 1 7 ? 10.242 40.629 20.821 1.00 12.02 ? 7 ILE A CD1 1 ATOM 52 N N . SER A 1 8 ? 7.551 45.409 22.780 1.00 14.70 ? 8 SER A N 1 ATOM 53 C CA . SER A 1 8 ? 7.445 46.435 23.839 1.00 15.86 ? 8 SER A CA 1 ATOM 54 C C . SER A 1 8 ? 7.061 45.666 25.097 1.00 17.79 ? 8 SER A C 1 ATOM 55 O O . SER A 1 8 ? 6.088 44.881 25.137 1.00 18.03 ? 8 SER A O 1 ATOM 56 C CB . SER A 1 8 ? 6.474 47.516 23.423 1.00 16.64 ? 8 SER A CB 1 ATOM 57 O OG A SER A 1 8 ? 6.291 48.489 24.457 0.50 14.20 ? 8 SER A OG 1 ATOM 58 O OG B SER A 1 8 ? 6.885 48.272 22.297 0.50 20.93 ? 8 SER A OG 1 ATOM 59 N N . GLY A 1 9 ? 7.916 45.717 26.159 1.00 18.51 ? 9 GLY A N 1 ATOM 60 C CA . GLY A 1 9 ? 7.654 44.854 27.337 1.00 18.45 ? 9 GLY A CA 1 ATOM 61 C C . GLY A 1 9 ? 7.806 43.411 26.902 1.00 18.55 ? 9 GLY A C 1 ATOM 62 O O . GLY A 1 9 ? 8.777 43.121 26.192 1.00 17.92 ? 9 GLY A O 1 ATOM 63 N N . THR A 1 10 ? 6.856 42.526 27.246 1.00 18.96 ? 10 THR A N 1 ATOM 64 C CA . THR A 1 10 ? 6.886 41.151 26.745 1.00 18.83 ? 10 THR A CA 1 ATOM 65 C C . THR A 1 10 ? 5.676 40.912 25.825 1.00 19.09 ? 10 THR A C 1 ATOM 66 O O . THR A 1 10 ? 5.136 39.795 25.654 1.00 17.53 ? 10 THR A O 1 ATOM 67 C CB . THR A 1 10 ? 6.895 40.026 27.780 1.00 19.09 ? 10 THR A CB 1 ATOM 68 O OG1 . THR A 1 10 ? 5.795 40.152 28.699 1.00 21.47 ? 10 THR A OG1 1 ATOM 69 C CG2 . THR A 1 10 ? 8.231 40.037 28.530 1.00 20.08 ? 10 THR A CG2 1 ATOM 70 N N . GLN A 1 11 ? 5.357 41.963 25.047 1.00 19.11 ? 11 GLN A N 1 ATOM 71 C CA . GLN A 1 11 ? 4.304 41.882 24.040 1.00 18.11 ? 11 GLN A CA 1 ATOM 72 C C . GLN A 1 11 ? 4.842 42.367 22.709 1.00 15.39 ? 11 GLN A C 1 ATOM 73 O O . GLN A 1 11 ? 5.897 43.017 22.632 1.00 17.01 ? 11 GLN A O 1 ATOM 74 C CB . GLN A 1 11 ? 3.094 42.762 24.406 1.00 20.53 ? 11 GLN A CB 1 ATOM 75 C CG . GLN A 1 11 ? 2.477 42.352 25.745 1.00 23.50 ? 11 GLN A CG 1 ATOM 76 C CD . GLN A 1 11 ? 1.100 42.984 25.890 1.00 25.20 ? 11 GLN A CD 1 ATOM 77 O OE1 . GLN A 1 11 ? 0.152 42.202 25.822 1.00 26.10 ? 11 GLN A OE1 1 ATOM 78 N NE2 . GLN A 1 11 ? 1.109 44.299 26.005 1.00 26.02 ? 11 GLN A NE2 1 ATOM 79 N N . PHE A 1 12 ? 4.102 42.163 21.652 1.00 13.19 ? 12 PHE A N 1 ATOM 80 C CA . PHE A 1 12 ? 4.445 42.678 20.354 1.00 11.55 ? 12 PHE A CA 1 ATOM 81 C C . PHE A 1 12 ? 3.712 43.986 20.045 1.00 11.99 ? 12 PHE A C 1 ATOM 82 O O . PHE A 1 12 ? 2.545 44.209 20.434 1.00 13.79 ? 12 PHE A O 1 ATOM 83 C CB . PHE A 1 12 ? 4.122 41.629 19.257 1.00 11.60 ? 12 PHE A CB 1 ATOM 84 C CG . PHE A 1 12 ? 4.934 40.356 19.424 1.00 9.92 ? 12 PHE A CG 1 ATOM 85 C CD1 . PHE A 1 12 ? 6.243 40.323 18.943 1.00 9.64 ? 12 PHE A CD1 1 ATOM 86 C CD2 . PHE A 1 12 ? 4.463 39.246 20.080 1.00 9.06 ? 12 PHE A CD2 1 ATOM 87 C CE1 . PHE A 1 12 ? 7.005 39.163 19.105 1.00 8.84 ? 12 PHE A CE1 1 ATOM 88 C CE2 . PHE A 1 12 ? 5.214 38.119 20.287 1.00 9.54 ? 12 PHE A CE2 1 ATOM 89 C CZ . PHE A 1 12 ? 6.501 38.044 19.774 1.00 9.38 ? 12 PHE A CZ 1 ATOM 90 N N . ASN A 1 13 ? 4.420 44.835 19.317 1.00 11.77 ? 13 ASN A N 1 ATOM 91 C CA . ASN A 1 13 ? 3.865 46.104 18.824 1.00 12.31 ? 13 ASN A CA 1 ATOM 92 C C . ASN A 1 13 ? 3.675 45.899 17.315 1.00 11.71 ? 13 ASN A C 1 ATOM 93 O O . ASN A 1 13 ? 4.663 45.802 16.582 1.00 11.84 ? 13 ASN A O 1 ATOM 94 C CB . ASN A 1 13 ? 4.862 47.253 19.111 1.00 13.50 ? 13 ASN A CB 1 ATOM 95 C CG . ASN A 1 13 ? 4.362 48.593 18.633 1.00 16.86 ? 13 ASN A CG 1 ATOM 96 O OD1 . ASN A 1 13 ? 3.530 48.635 17.725 1.00 19.02 ? 13 ASN A OD1 1 ATOM 97 N ND2 . ASN A 1 13 ? 4.848 49.745 19.118 1.00 17.82 ? 13 ASN A ND2 1 ATOM 98 N N . ILE A 1 14 ? 2.427 45.757 16.849 1.00 10.43 ? 14 ILE A N 1 ATOM 99 C CA . ILE A 1 14 ? 2.104 45.474 15.451 1.00 10.74 ? 14 ILE A CA 1 ATOM 100 C C . ILE A 1 14 ? 1.356 46.710 14.920 1.00 11.26 ? 14 ILE A C 1 ATOM 101 O O . ILE A 1 14 ? 0.296 47.046 15.479 1.00 12.31 ? 14 ILE A O 1 ATOM 102 C CB . ILE A 1 14 ? 1.198 44.231 15.342 1.00 9.32 ? 14 ILE A CB 1 ATOM 103 C CG1 . ILE A 1 14 ? 1.901 42.970 15.920 1.00 9.72 ? 14 ILE A CG1 1 ATOM 104 C CG2 . ILE A 1 14 ? 0.806 43.955 13.879 1.00 10.90 ? 14 ILE A CG2 1 ATOM 105 C CD1 . ILE A 1 14 ? 0.959 41.784 16.028 1.00 9.47 ? 14 ILE A CD1 1 ATOM 106 N N . ASP A 1 15 ? 1.953 47.393 13.960 1.00 12.51 ? 15 ASP A N 1 ATOM 107 C CA . ASP A 1 15 ? 1.371 48.616 13.409 1.00 12.96 ? 15 ASP A CA 1 ATOM 108 C C . ASP A 1 15 ? 0.984 49.632 14.460 1.00 14.15 ? 15 ASP A C 1 ATOM 109 O O . ASP A 1 15 ? -0.066 50.300 14.399 1.00 15.39 ? 15 ASP A O 1 ATOM 110 C CB . ASP A 1 15 ? 0.241 48.236 12.462 1.00 14.26 ? 15 ASP A CB 1 ATOM 111 C CG . ASP A 1 15 ? 0.732 47.508 11.209 1.00 15.05 ? 15 ASP A CG 1 ATOM 112 O OD1 . ASP A 1 15 ? 1.913 47.647 10.839 1.00 15.61 ? 15 ASP A OD1 1 ATOM 113 O OD2 . ASP A 1 15 ? -0.109 46.819 10.650 1.00 16.51 ? 15 ASP A OD2 1 ATOM 114 N N . GLY A 1 16 ? 1.800 49.774 15.511 1.00 13.67 ? 16 GLY A N 1 ATOM 115 C CA . GLY A 1 16 ? 1.593 50.768 16.577 1.00 14.10 ? 16 GLY A CA 1 ATOM 116 C C . GLY A 1 16 ? 0.691 50.316 17.691 1.00 14.23 ? 16 GLY A C 1 ATOM 117 O O . GLY A 1 16 ? 0.488 50.985 18.707 1.00 18.63 ? 16 GLY A O 1 ATOM 118 N N . LYS A 1 17 ? 0.074 49.134 17.600 1.00 14.94 ? 17 LYS A N 1 ATOM 119 C CA . LYS A 1 17 ? -0.798 48.617 18.627 1.00 15.79 ? 17 LYS A CA 1 ATOM 120 C C . LYS A 1 17 ? -0.022 47.570 19.436 1.00 14.49 ? 17 LYS A C 1 ATOM 121 O O . LYS A 1 17 ? 0.361 46.539 18.855 1.00 13.53 ? 17 LYS A O 1 ATOM 122 C CB . LYS A 1 17 ? -2.055 48.040 17.950 1.00 19.50 ? 17 LYS A CB 1 ATOM 123 C CG A LYS A 1 17 ? -2.967 49.149 17.428 0.50 20.58 ? 17 LYS A CG 1 ATOM 124 C CG B LYS A 1 17 ? -2.811 49.094 17.133 0.50 21.54 ? 17 LYS A CG 1 ATOM 125 C CD A LYS A 1 17 ? -3.729 49.746 18.616 0.50 21.44 ? 17 LYS A CD 1 ATOM 126 C CD B LYS A 1 17 ? -2.996 50.409 17.860 0.50 23.45 ? 17 LYS A CD 1 ATOM 127 C CE A LYS A 1 17 ? -3.839 51.257 18.401 0.50 23.27 ? 17 LYS A CE 1 ATOM 128 C CE B LYS A 1 17 ? -3.969 51.361 17.201 0.50 25.68 ? 17 LYS A CE 1 ATOM 129 N NZ A LYS A 1 17 ? -4.781 51.815 19.407 0.50 23.56 ? 17 LYS A NZ 1 ATOM 130 N NZ B LYS A 1 17 ? -3.847 52.748 17.734 0.50 27.02 ? 17 LYS A NZ 1 ATOM 131 N N . VAL A 1 18 ? 0.105 47.777 20.723 1.00 13.31 ? 18 VAL A N 1 ATOM 132 C CA . VAL A 1 18 ? 0.805 46.845 21.601 1.00 13.88 ? 18 VAL A CA 1 ATOM 133 C C . VAL A 1 18 ? -0.220 45.975 22.305 1.00 15.05 ? 18 VAL A C 1 ATOM 134 O O . VAL A 1 18 ? -1.164 46.436 22.959 1.00 17.72 ? 18 VAL A O 1 ATOM 135 C CB . VAL A 1 18 ? 1.666 47.642 22.619 1.00 15.70 ? 18 VAL A CB 1 ATOM 136 C CG1 . VAL A 1 18 ? 2.264 46.710 23.651 1.00 16.80 ? 18 VAL A CG1 1 ATOM 137 C CG2 . VAL A 1 18 ? 2.725 48.468 21.899 1.00 16.35 ? 18 VAL A CG2 1 ATOM 138 N N . GLY A 1 19 ? -0.146 44.650 22.092 1.00 15.42 ? 19 GLY A N 1 ATOM 139 C CA . GLY A 1 19 ? -1.117 43.770 22.730 1.00 14.87 ? 19 GLY A CA 1 ATOM 140 C C . GLY A 1 19 ? -1.063 42.343 22.145 1.00 13.39 ? 19 GLY A C 1 ATOM 141 O O . GLY A 1 19 ? -0.405 42.122 21.160 1.00 14.10 ? 19 GLY A O 1 ATOM 142 N N . TYR A 1 20 ? -1.758 41.431 22.771 1.00 14.52 ? 20 TYR A N 1 ATOM 143 C CA . TYR A 1 20 ? -1.798 40.027 22.323 1.00 11.76 ? 20 TYR A CA 1 ATOM 144 C C . TYR A 1 20 ? -2.351 39.915 20.915 1.00 11.82 ? 20 TYR A C 1 ATOM 145 O O . TYR A 1 20 ? -3.300 40.629 20.545 1.00 13.46 ? 20 TYR A O 1 ATOM 146 C CB . TYR A 1 20 ? -2.704 39.276 23.315 1.00 12.09 ? 20 TYR A CB 1 ATOM 147 C CG . TYR A 1 20 ? -2.637 37.754 23.165 1.00 11.22 ? 20 TYR A CG 1 ATOM 148 C CD1 . TYR A 1 20 ? -3.481 37.098 22.285 1.00 10.20 ? 20 TYR A CD1 1 ATOM 149 C CD2 . TYR A 1 20 ? -1.769 37.004 23.966 1.00 10.73 ? 20 TYR A CD2 1 ATOM 150 C CE1 . TYR A 1 20 ? -3.436 35.703 22.160 1.00 9.95 ? 20 TYR A CE1 1 ATOM 151 C CE2 . TYR A 1 20 ? -1.748 35.613 23.873 1.00 11.81 ? 20 TYR A CE2 1 ATOM 152 C CZ . TYR A 1 20 ? -2.559 34.979 22.947 1.00 10.10 ? 20 TYR A CZ 1 ATOM 153 O OH . TYR A 1 20 ? -2.495 33.588 22.828 1.00 11.85 ? 20 TYR A OH 1 ATOM 154 N N . PHE A 1 21 ? -1.849 38.926 20.152 1.00 10.25 ? 21 PHE A N 1 ATOM 155 C CA . PHE A 1 21 ? -2.383 38.732 18.809 1.00 8.97 ? 21 PHE A CA 1 ATOM 156 C C . PHE A 1 21 ? -2.795 37.279 18.632 1.00 9.15 ? 21 PHE A C 1 ATOM 157 O O . PHE A 1 21 ? -2.183 36.362 19.189 1.00 8.95 ? 21 PHE A O 1 ATOM 158 C CB . PHE A 1 21 ? -1.371 39.105 17.687 1.00 9.96 ? 21 PHE A CB 1 ATOM 159 C CG . PHE A 1 21 ? -0.209 38.137 17.523 1.00 8.43 ? 21 PHE A CG 1 ATOM 160 C CD1 . PHE A 1 21 ? -0.332 37.014 16.707 1.00 8.93 ? 21 PHE A CD1 1 ATOM 161 C CD2 . PHE A 1 21 ? 0.977 38.299 18.226 1.00 8.23 ? 21 PHE A CD2 1 ATOM 162 C CE1 . PHE A 1 21 ? 0.689 36.055 16.597 1.00 8.87 ? 21 PHE A CE1 1 ATOM 163 C CE2 . PHE A 1 21 ? 2.011 37.376 18.083 1.00 9.08 ? 21 PHE A CE2 1 ATOM 164 C CZ . PHE A 1 21 ? 1.926 36.249 17.262 1.00 8.42 ? 21 PHE A CZ 1 ATOM 165 N N . ALA A 1 22 ? -3.733 37.086 17.708 1.00 8.12 ? 22 ALA A N 1 ATOM 166 C CA . ALA A 1 22 ? -4.031 35.728 17.199 1.00 8.54 ? 22 ALA A CA 1 ATOM 167 C C . ALA A 1 22 ? -3.592 35.660 15.742 1.00 8.04 ? 22 ALA A C 1 ATOM 168 O O . ALA A 1 22 ? -3.770 36.614 14.938 1.00 8.88 ? 22 ALA A O 1 ATOM 169 C CB . ALA A 1 22 ? -5.532 35.377 17.236 1.00 9.52 ? 22 ALA A CB 1 ATOM 170 N N . GLY A 1 23 ? -3.024 34.494 15.366 1.00 7.03 ? 23 GLY A N 1 ATOM 171 C CA . GLY A 1 23 ? -2.699 34.297 13.952 1.00 7.41 ? 23 GLY A CA 1 ATOM 172 C C . GLY A 1 23 ? -2.974 32.824 13.543 1.00 7.68 ? 23 GLY A C 1 ATOM 173 O O . GLY A 1 23 ? -3.675 32.102 14.238 1.00 7.74 ? 23 GLY A O 1 ATOM 174 N N . THR A 1 24 ? -2.426 32.439 12.380 1.00 7.28 ? 24 THR A N 1 ATOM 175 C CA . THR A 1 24 ? -2.659 31.068 11.907 1.00 7.02 ? 24 THR A CA 1 ATOM 176 C C . THR A 1 24 ? -1.495 30.571 11.060 1.00 7.31 ? 24 THR A C 1 ATOM 177 O O . THR A 1 24 ? -0.698 31.390 10.602 1.00 7.54 ? 24 THR A O 1 ATOM 178 C CB . THR A 1 24 ? -3.957 30.989 11.063 1.00 7.44 ? 24 THR A CB 1 ATOM 179 O OG1 . THR A 1 24 ? -4.267 29.614 10.741 1.00 7.74 ? 24 THR A OG1 1 ATOM 180 C CG2 . THR A 1 24 ? -3.836 31.744 9.739 1.00 8.21 ? 24 THR A CG2 1 ATOM 181 N N . ASN A 1 25 ? -1.425 29.259 10.895 1.00 8.05 ? 25 ASN A N 1 ATOM 182 C CA . ASN A 1 25 ? -0.429 28.674 10.022 1.00 7.59 ? 25 ASN A CA 1 ATOM 183 C C . ASN A 1 25 ? -1.068 28.481 8.648 1.00 7.96 ? 25 ASN A C 1 ATOM 184 O O . ASN A 1 25 ? -2.185 27.927 8.552 1.00 8.03 ? 25 ASN A O 1 ATOM 185 C CB . ASN A 1 25 ? 0.115 27.311 10.543 1.00 6.91 ? 25 ASN A CB 1 ATOM 186 C CG . ASN A 1 25 ? 1.040 27.526 11.732 1.00 7.23 ? 25 ASN A CG 1 ATOM 187 O OD1 . ASN A 1 25 ? 2.262 27.661 11.557 1.00 7.85 ? 25 ASN A OD1 1 ATOM 188 N ND2 . ASN A 1 25 ? 0.515 27.542 12.941 1.00 6.95 ? 25 ASN A ND2 1 ATOM 189 N N . CYS A 1 26 ? -0.349 28.833 7.581 1.00 7.96 ? 26 CYS A N 1 ATOM 190 C CA . CYS A 1 26 ? -0.784 28.593 6.215 1.00 7.81 ? 26 CYS A CA 1 ATOM 191 C C . CYS A 1 26 ? 0.465 28.245 5.441 1.00 7.52 ? 26 CYS A C 1 ATOM 192 O O . CYS A 1 26 ? 0.926 29.041 4.594 1.00 6.54 ? 26 CYS A O 1 ATOM 193 C CB . CYS A 1 26 ? -1.474 29.829 5.587 1.00 8.00 ? 26 CYS A CB 1 ATOM 194 S SG . CYS A 1 26 ? -2.196 29.383 3.946 1.00 7.16 ? 26 CYS A SG 1 ATOM 195 N N . TYR A 1 27 ? 1.064 27.059 5.683 1.00 7.06 ? 27 TYR A N 1 ATOM 196 C CA . TYR A 1 27 ? 2.359 26.773 5.030 1.00 6.60 ? 27 TYR A CA 1 ATOM 197 C C . TYR A 1 27 ? 2.185 26.870 3.531 1.00 8.00 ? 27 TYR A C 1 ATOM 198 O O . TYR A 1 27 ? 3.075 27.320 2.809 1.00 8.58 ? 27 TYR A O 1 ATOM 199 C CB . TYR A 1 27 ? 2.904 25.362 5.424 1.00 7.47 ? 27 TYR A CB 1 ATOM 200 C CG . TYR A 1 27 ? 2.236 24.157 4.759 1.00 7.82 ? 27 TYR A CG 1 ATOM 201 C CD1 . TYR A 1 27 ? 2.678 23.758 3.484 1.00 8.44 ? 27 TYR A CD1 1 ATOM 202 C CD2 . TYR A 1 27 ? 1.232 23.445 5.362 1.00 7.68 ? 27 TYR A CD2 1 ATOM 203 C CE1 . TYR A 1 27 ? 2.060 22.695 2.839 1.00 8.48 ? 27 TYR A CE1 1 ATOM 204 C CE2 . TYR A 1 27 ? 0.628 22.364 4.729 1.00 8.80 ? 27 TYR A CE2 1 ATOM 205 C CZ . TYR A 1 27 ? 1.066 22.003 3.476 1.00 8.19 ? 27 TYR A CZ 1 ATOM 206 O OH . TYR A 1 27 ? 0.476 20.919 2.824 1.00 9.71 ? 27 TYR A OH 1 ATOM 207 N N . TRP A 1 28 ? 1.024 26.373 3.054 1.00 7.63 ? 28 TRP A N 1 ATOM 208 C CA . TRP A 1 28 ? 0.729 26.177 1.636 1.00 6.03 ? 28 TRP A CA 1 ATOM 209 C C . TRP A 1 28 ? 0.436 27.476 0.900 1.00 6.33 ? 28 TRP A C 1 ATOM 210 O O . TRP A 1 28 ? 0.447 27.493 -0.361 1.00 7.60 ? 28 TRP A O 1 ATOM 211 C CB . TRP A 1 28 ? -0.426 25.162 1.522 1.00 6.33 ? 28 TRP A CB 1 ATOM 212 C CG . TRP A 1 28 ? -1.621 25.494 2.367 1.00 7.65 ? 28 TRP A CG 1 ATOM 213 C CD1 . TRP A 1 28 ? -1.876 24.949 3.587 1.00 6.52 ? 28 TRP A CD1 1 ATOM 214 C CD2 . TRP A 1 28 ? -2.701 26.422 2.108 1.00 8.30 ? 28 TRP A CD2 1 ATOM 215 N NE1 . TRP A 1 28 ? -3.026 25.469 4.124 1.00 7.66 ? 28 TRP A NE1 1 ATOM 216 C CE2 . TRP A 1 28 ? -3.563 26.362 3.200 1.00 7.47 ? 28 TRP A CE2 1 ATOM 217 C CE3 . TRP A 1 28 ? -3.025 27.256 1.018 1.00 7.39 ? 28 TRP A CE3 1 ATOM 218 C CZ2 . TRP A 1 28 ? -4.741 27.119 3.310 1.00 7.48 ? 28 TRP A CZ2 1 ATOM 219 C CZ3 . TRP A 1 28 ? -4.192 28.048 1.128 1.00 7.89 ? 28 TRP A CZ3 1 ATOM 220 C CH2 . TRP A 1 28 ? -5.043 27.947 2.264 1.00 7.67 ? 28 TRP A CH2 1 ATOM 221 N N . CYS A 1 29 ? 0.214 28.555 1.661 1.00 7.25 ? 29 CYS A N 1 ATOM 222 C CA . CYS A 1 29 ? -0.011 29.834 0.997 1.00 7.76 ? 29 CYS A CA 1 ATOM 223 C C . CYS A 1 29 ? 1.123 30.207 0.070 1.00 7.48 ? 29 CYS A C 1 ATOM 224 O O . CYS A 1 29 ? 0.974 30.784 -1.001 1.00 8.82 ? 29 CYS A O 1 ATOM 225 C CB . CYS A 1 29 ? -0.235 30.941 2.042 1.00 7.39 ? 29 CYS A CB 1 ATOM 226 S SG . CYS A 1 29 ? -1.895 31.029 2.775 1.00 7.97 ? 29 CYS A SG 1 ATOM 227 N N . SER A 1 30 ? 2.374 29.872 0.501 1.00 6.99 ? 30 SER A N 1 ATOM 228 C CA . SER A 1 30 ? 3.564 30.199 -0.248 1.00 7.60 ? 30 SER A CA 1 ATOM 229 C C . SER A 1 30 ? 3.636 29.540 -1.610 1.00 8.59 ? 30 SER A C 1 ATOM 230 O O . SER A 1 30 ? 4.515 29.969 -2.394 1.00 9.50 ? 30 SER A O 1 ATOM 231 C CB . SER A 1 30 ? 4.805 29.689 0.550 1.00 9.38 ? 30 SER A CB 1 ATOM 232 O OG . SER A 1 30 ? 4.776 30.340 1.802 1.00 10.64 ? 30 SER A OG 1 ATOM 233 N N . PHE A 1 31 ? 2.880 28.447 -1.857 1.00 8.92 ? 31 PHE A N 1 ATOM 234 C CA . PHE A 1 31 ? 3.024 27.714 -3.112 1.00 10.04 ? 31 PHE A CA 1 ATOM 235 C C . PHE A 1 31 ? 1.809 27.887 -4.046 1.00 11.69 ? 31 PHE A C 1 ATOM 236 O O . PHE A 1 31 ? 1.745 27.234 -5.093 1.00 13.62 ? 31 PHE A O 1 ATOM 237 C CB . PHE A 1 31 ? 3.214 26.227 -2.747 1.00 10.68 ? 31 PHE A CB 1 ATOM 238 C CG . PHE A 1 31 ? 4.274 25.970 -1.687 1.00 8.91 ? 31 PHE A CG 1 ATOM 239 C CD1 . PHE A 1 31 ? 5.493 26.680 -1.718 1.00 8.90 ? 31 PHE A CD1 1 ATOM 240 C CD2 . PHE A 1 31 ? 4.109 24.929 -0.768 1.00 8.27 ? 31 PHE A CD2 1 ATOM 241 C CE1 . PHE A 1 31 ? 6.441 26.421 -0.717 1.00 9.88 ? 31 PHE A CE1 1 ATOM 242 C CE2 . PHE A 1 31 ? 5.076 24.635 0.173 1.00 8.08 ? 31 PHE A CE2 1 ATOM 243 C CZ . PHE A 1 31 ? 6.228 25.386 0.190 1.00 8.73 ? 31 PHE A CZ 1 ATOM 244 N N . LEU A 1 32 ? 0.905 28.780 -3.668 1.00 10.69 ? 32 LEU A N 1 ATOM 245 C CA . LEU A 1 32 ? -0.237 29.048 -4.578 1.00 11.36 ? 32 LEU A CA 1 ATOM 246 C C . LEU A 1 32 ? 0.240 29.778 -5.842 1.00 13.62 ? 32 LEU A C 1 ATOM 247 O O . LEU A 1 32 ? 0.891 30.835 -5.727 1.00 14.84 ? 32 LEU A O 1 ATOM 248 C CB . LEU A 1 32 ? -1.249 29.947 -3.849 1.00 10.59 ? 32 LEU A CB 1 ATOM 249 C CG . LEU A 1 32 ? -1.896 29.232 -2.661 1.00 10.58 ? 32 LEU A CG 1 ATOM 250 C CD1 . LEU A 1 32 ? -2.698 30.259 -1.836 1.00 10.98 ? 32 LEU A CD1 1 ATOM 251 C CD2 . LEU A 1 32 ? -2.810 28.079 -3.094 1.00 11.53 ? 32 LEU A CD2 1 ATOM 252 N N . THR A 1 33 ? -0.148 29.285 -7.029 1.00 15.98 ? 33 THR A N 1 ATOM 253 C CA . THR A 1 33 ? 0.312 29.967 -8.264 1.00 17.90 ? 33 THR A CA 1 ATOM 254 C C . THR A 1 33 ? -0.691 30.981 -8.788 1.00 18.18 ? 33 THR A C 1 ATOM 255 O O . THR A 1 33 ? -0.268 31.886 -9.521 1.00 21.25 ? 33 THR A O 1 ATOM 256 C CB . THR A 1 33 ? 0.574 28.938 -9.388 1.00 20.55 ? 33 THR A CB 1 ATOM 257 O OG1 . THR A 1 33 ? -0.628 28.181 -9.617 1.00 24.23 ? 33 THR A OG1 1 ATOM 258 C CG2 . THR A 1 33 ? 1.711 28.031 -8.986 1.00 22.46 ? 33 THR A CG2 1 ATOM 259 N N . ASN A 1 34 ? -1.957 30.918 -8.372 1.00 16.01 ? 34 ASN A N 1 ATOM 260 C CA . ASN A 1 34 ? -2.943 31.885 -8.872 1.00 16.46 ? 34 ASN A CA 1 ATOM 261 C C . ASN A 1 34 ? -3.007 33.015 -7.855 1.00 15.85 ? 34 ASN A C 1 ATOM 262 O O . ASN A 1 34 ? -3.428 32.750 -6.706 1.00 13.83 ? 34 ASN A O 1 ATOM 263 C CB . ASN A 1 34 ? -4.309 31.197 -9.022 1.00 18.74 ? 34 ASN A CB 1 ATOM 264 C CG . ASN A 1 34 ? -5.362 32.070 -9.643 1.00 23.73 ? 34 ASN A CG 1 ATOM 265 O OD1 . ASN A 1 34 ? -5.198 33.266 -9.752 1.00 26.27 ? 34 ASN A OD1 1 ATOM 266 N ND2 . ASN A 1 34 ? -6.485 31.484 -10.082 1.00 28.13 ? 34 ASN A ND2 1 ATOM 267 N N . HIS A 1 35 ? -2.686 34.248 -8.228 1.00 16.64 ? 35 HIS A N 1 ATOM 268 C CA . HIS A 1 35 ? -2.786 35.383 -7.317 1.00 16.18 ? 35 HIS A CA 1 ATOM 269 C C . HIS A 1 35 ? -4.162 35.520 -6.711 1.00 13.40 ? 35 HIS A C 1 ATOM 270 O O . HIS A 1 35 ? -4.267 35.900 -5.562 1.00 13.69 ? 35 HIS A O 1 ATOM 271 C CB . HIS A 1 35 ? -2.550 36.724 -8.081 1.00 18.83 ? 35 HIS A CB 1 ATOM 272 C CG . HIS A 1 35 ? -1.102 36.761 -8.500 1.00 22.34 ? 35 HIS A CG 1 ATOM 273 N ND1 . HIS A 1 35 ? -0.639 37.784 -9.297 1.00 24.08 ? 35 HIS A ND1 1 ATOM 274 C CD2 . HIS A 1 35 ? -0.065 35.943 -8.216 1.00 22.14 ? 35 HIS A CD2 1 ATOM 275 C CE1 . HIS A 1 35 ? 0.663 37.556 -9.488 1.00 25.00 ? 35 HIS A CE1 1 ATOM 276 N NE2 . HIS A 1 35 ? 1.043 36.448 -8.865 1.00 24.21 ? 35 HIS A NE2 1 ATOM 277 N N . ALA A 1 36 ? -5.220 35.217 -7.453 1.00 14.21 ? 36 ALA A N 1 ATOM 278 C CA . ALA A 1 36 ? -6.563 35.353 -6.873 1.00 13.37 ? 36 ALA A CA 1 ATOM 279 C C . ALA A 1 36 ? -6.739 34.433 -5.682 1.00 11.83 ? 36 ALA A C 1 ATOM 280 O O . ALA A 1 36 ? -7.534 34.779 -4.803 1.00 13.47 ? 36 ALA A O 1 ATOM 281 C CB . ALA A 1 36 ? -7.630 35.051 -7.914 1.00 15.46 ? 36 ALA A CB 1 ATOM 282 N N . ASP A 1 37 ? -6.029 33.286 -5.632 1.00 12.25 ? 37 ASP A N 1 ATOM 283 C CA . ASP A 1 37 ? -6.196 32.387 -4.497 1.00 10.58 ? 37 ASP A CA 1 ATOM 284 C C . ASP A 1 37 ? -5.426 32.869 -3.255 1.00 9.81 ? 37 ASP A C 1 ATOM 285 O O . ASP A 1 37 ? -5.916 32.647 -2.157 1.00 8.89 ? 37 ASP A O 1 ATOM 286 C CB . ASP A 1 37 ? -5.730 30.975 -4.863 1.00 12.70 ? 37 ASP A CB 1 ATOM 287 C CG . ASP A 1 37 ? -6.514 30.382 -6.028 1.00 13.24 ? 37 ASP A CG 1 ATOM 288 O OD1 . ASP A 1 37 ? -7.643 30.842 -6.305 1.00 11.37 ? 37 ASP A OD1 1 ATOM 289 O OD2 . ASP A 1 37 ? -6.019 29.414 -6.654 1.00 14.50 ? 37 ASP A OD2 1 ATOM 290 N N . VAL A 1 38 ? -4.314 33.575 -3.424 1.00 9.69 ? 38 VAL A N 1 ATOM 291 C CA . VAL A 1 38 ? -3.651 34.201 -2.292 1.00 9.25 ? 38 VAL A CA 1 ATOM 292 C C . VAL A 1 38 ? -4.562 35.350 -1.811 1.00 10.58 ? 38 VAL A C 1 ATOM 293 O O . VAL A 1 38 ? -4.773 35.466 -0.597 1.00 10.94 ? 38 VAL A O 1 ATOM 294 C CB . VAL A 1 38 ? -2.286 34.782 -2.692 1.00 10.55 ? 38 VAL A CB 1 ATOM 295 C CG1 . VAL A 1 38 ? -1.673 35.591 -1.557 1.00 10.30 ? 38 VAL A CG1 1 ATOM 296 C CG2 . VAL A 1 38 ? -1.348 33.634 -3.106 1.00 11.73 ? 38 VAL A CG2 1 ATOM 297 N N . ASP A 1 39 ? -5.134 36.132 -2.739 1.00 10.85 ? 39 ASP A N 1 ATOM 298 C CA . ASP A 1 39 ? -5.983 37.287 -2.361 1.00 11.72 ? 39 ASP A CA 1 ATOM 299 C C . ASP A 1 39 ? -7.206 36.825 -1.581 1.00 9.93 ? 39 ASP A C 1 ATOM 300 O O . ASP A 1 39 ? -7.526 37.389 -0.546 1.00 10.49 ? 39 ASP A O 1 ATOM 301 C CB . ASP A 1 39 ? -6.482 37.995 -3.627 1.00 12.37 ? 39 ASP A CB 1 ATOM 302 C CG . ASP A 1 39 ? -5.536 38.704 -4.551 1.00 17.67 ? 39 ASP A CG 1 ATOM 303 O OD1 . ASP A 1 39 ? -4.447 38.993 -4.083 1.00 16.08 ? 39 ASP A OD1 1 ATOM 304 O OD2 . ASP A 1 39 ? -5.939 38.919 -5.753 1.00 20.16 ? 39 ASP A OD2 1 ATOM 305 N N . SER A 1 40 ? -7.904 35.755 -2.051 1.00 9.77 ? 40 SER A N 1 ATOM 306 C CA . SER A 1 40 ? -9.112 35.350 -1.320 1.00 9.24 ? 40 SER A CA 1 ATOM 307 C C . SER A 1 40 ? -8.741 34.775 0.028 1.00 8.06 ? 40 SER A C 1 ATOM 308 O O . SER A 1 40 ? -9.440 35.109 1.010 1.00 8.37 ? 40 SER A O 1 ATOM 309 C CB . SER A 1 40 ? -9.957 34.396 -2.180 1.00 8.43 ? 40 SER A CB 1 ATOM 310 O OG . SER A 1 40 ? -9.281 33.210 -2.515 1.00 9.62 ? 40 SER A OG 1 ATOM 311 N N . THR A 1 41 ? -7.671 33.996 0.102 1.00 9.32 ? 41 THR A N 1 ATOM 312 C CA . THR A 1 41 ? -7.301 33.419 1.412 1.00 7.97 ? 41 THR A CA 1 ATOM 313 C C . THR A 1 41 ? -6.887 34.509 2.399 1.00 7.72 ? 41 THR A C 1 ATOM 314 O O . THR A 1 41 ? -7.339 34.477 3.569 1.00 7.73 ? 41 THR A O 1 ATOM 315 C CB . THR A 1 41 ? -6.158 32.415 1.163 1.00 8.09 ? 41 THR A CB 1 ATOM 316 O OG1 . THR A 1 41 ? -6.569 31.407 0.220 1.00 9.22 ? 41 THR A OG1 1 ATOM 317 C CG2 . THR A 1 41 ? -5.764 31.732 2.486 1.00 7.17 ? 41 THR A CG2 1 ATOM 318 N N . PHE A 1 42 ? -6.063 35.470 1.950 1.00 8.03 ? 42 PHE A N 1 ATOM 319 C CA . PHE A 1 42 ? -5.647 36.548 2.856 1.00 7.05 ? 42 PHE A CA 1 ATOM 320 C C . PHE A 1 42 ? -6.786 37.510 3.201 1.00 8.10 ? 42 PHE A C 1 ATOM 321 O O . PHE A 1 42 ? -6.855 38.028 4.337 1.00 10.30 ? 42 PHE A O 1 ATOM 322 C CB . PHE A 1 42 ? -4.397 37.250 2.310 1.00 7.76 ? 42 PHE A CB 1 ATOM 323 C CG . PHE A 1 42 ? -3.104 36.552 2.659 1.00 7.44 ? 42 PHE A CG 1 ATOM 324 C CD1 . PHE A 1 42 ? -3.035 35.271 3.165 1.00 8.82 ? 42 PHE A CD1 1 ATOM 325 C CD2 . PHE A 1 42 ? -1.931 37.312 2.455 1.00 8.33 ? 42 PHE A CD2 1 ATOM 326 C CE1 . PHE A 1 42 ? -1.803 34.693 3.455 1.00 7.81 ? 42 PHE A CE1 1 ATOM 327 C CE2 . PHE A 1 42 ? -0.717 36.708 2.730 1.00 8.87 ? 42 PHE A CE2 1 ATOM 328 C CZ . PHE A 1 42 ? -0.648 35.412 3.232 1.00 9.36 ? 42 PHE A CZ 1 ATOM 329 N N . SER A 1 43 ? -7.736 37.684 2.256 1.00 7.78 ? 43 SER A N 1 ATOM 330 C CA . SER A 1 43 ? -8.922 38.462 2.627 1.00 8.95 ? 43 SER A CA 1 ATOM 331 C C . SER A 1 43 ? -9.652 37.795 3.778 1.00 8.98 ? 43 SER A C 1 ATOM 332 O O . SER A 1 43 ? -10.086 38.457 4.734 1.00 9.98 ? 43 SER A O 1 ATOM 333 C CB . SER A 1 43 ? -9.853 38.583 1.381 1.00 9.60 ? 43 SER A CB 1 ATOM 334 O OG . SER A 1 43 ? -10.963 39.457 1.714 1.00 16.22 ? 43 SER A OG 1 ATOM 335 N N . HIS A 1 44 ? -9.806 36.446 3.737 1.00 9.12 ? 44 HIS A N 1 ATOM 336 C CA . HIS A 1 44 ? -10.555 35.765 4.782 1.00 8.98 ? 44 HIS A CA 1 ATOM 337 C C . HIS A 1 44 ? -9.832 35.805 6.122 1.00 9.36 ? 44 HIS A C 1 ATOM 338 O O . HIS A 1 44 ? -10.444 35.939 7.184 1.00 9.87 ? 44 HIS A O 1 ATOM 339 C CB . HIS A 1 44 ? -10.732 34.310 4.342 1.00 8.45 ? 44 HIS A CB 1 ATOM 340 C CG . HIS A 1 44 ? -11.528 34.176 3.056 1.00 7.75 ? 44 HIS A CG 1 ATOM 341 N ND1 . HIS A 1 44 ? -11.427 33.014 2.318 1.00 9.09 ? 44 HIS A ND1 1 ATOM 342 C CD2 . HIS A 1 44 ? -12.380 34.990 2.354 1.00 8.51 ? 44 HIS A CD2 1 ATOM 343 C CE1 . HIS A 1 44 ? -12.179 33.079 1.227 1.00 9.82 ? 44 HIS A CE1 1 ATOM 344 N NE2 . HIS A 1 44 ? -12.768 34.277 1.240 1.00 11.25 ? 44 HIS A NE2 1 ATOM 345 N N . ILE A 1 45 ? -8.483 35.603 6.062 1.00 8.74 ? 45 ILE A N 1 ATOM 346 C CA . ILE A 1 45 ? -7.723 35.636 7.336 1.00 7.84 ? 45 ILE A CA 1 ATOM 347 C C . ILE A 1 45 ? -7.806 37.037 7.948 1.00 9.57 ? 45 ILE A C 1 ATOM 348 O O . ILE A 1 45 ? -8.029 37.185 9.163 1.00 9.00 ? 45 ILE A O 1 ATOM 349 C CB . ILE A 1 45 ? -6.235 35.252 7.025 1.00 7.49 ? 45 ILE A CB 1 ATOM 350 C CG1 . ILE A 1 45 ? -6.148 33.769 6.676 1.00 7.61 ? 45 ILE A CG1 1 ATOM 351 C CG2 . ILE A 1 45 ? -5.300 35.575 8.204 1.00 7.65 ? 45 ILE A CG2 1 ATOM 352 C CD1 . ILE A 1 45 ? -4.756 33.271 6.281 1.00 8.76 ? 45 ILE A CD1 1 ATOM 353 N N . SER A 1 46 ? -7.621 38.106 7.164 1.00 8.55 ? 46 SER A N 1 ATOM 354 C CA . SER A 1 46 ? -7.709 39.468 7.663 1.00 10.06 ? 46 SER A CA 1 ATOM 355 C C . SER A 1 46 ? -9.099 39.826 8.153 1.00 11.08 ? 46 SER A C 1 ATOM 356 O O . SER A 1 46 ? -9.226 40.384 9.242 1.00 10.76 ? 46 SER A O 1 ATOM 357 C CB . SER A 1 46 ? -7.261 40.404 6.509 1.00 12.67 ? 46 SER A CB 1 ATOM 358 O OG . SER A 1 46 ? -7.360 41.753 7.002 1.00 18.13 ? 46 SER A OG 1 ATOM 359 N N . SER A 1 47 ? -10.141 39.500 7.360 1.00 9.98 ? 47 SER A N 1 ATOM 360 C CA . SER A 1 47 ? -11.485 39.828 7.826 1.00 11.70 ? 47 SER A CA 1 ATOM 361 C C . SER A 1 47 ? -11.878 39.028 9.052 1.00 11.64 ? 47 SER A C 1 ATOM 362 O O . SER A 1 47 ? -12.773 39.431 9.833 1.00 14.38 ? 47 SER A O 1 ATOM 363 C CB . SER A 1 47 ? -12.490 39.696 6.671 1.00 14.18 ? 47 SER A CB 1 ATOM 364 O OG . SER A 1 47 ? -12.687 38.348 6.342 1.00 14.67 ? 47 SER A OG 1 ATOM 365 N N . SER A 1 48 ? -11.256 37.878 9.349 1.00 10.34 ? 48 SER A N 1 ATOM 366 C CA . SER A 1 48 ? -11.460 37.120 10.566 1.00 10.16 ? 48 SER A CA 1 ATOM 367 C C . SER A 1 48 ? -10.776 37.766 11.761 1.00 9.85 ? 48 SER A C 1 ATOM 368 O O . SER A 1 48 ? -11.064 37.348 12.892 1.00 11.50 ? 48 SER A O 1 ATOM 369 C CB . SER A 1 48 ? -10.877 35.686 10.444 1.00 9.10 ? 48 SER A CB 1 ATOM 370 O OG . SER A 1 48 ? -11.563 34.970 9.413 1.00 10.60 ? 48 SER A OG 1 ATOM 371 N N . GLY A 1 49 ? -9.916 38.761 11.540 1.00 9.77 ? 49 GLY A N 1 ATOM 372 C CA . GLY A 1 49 ? -9.266 39.455 12.669 1.00 9.17 ? 49 GLY A CA 1 ATOM 373 C C . GLY A 1 49 ? -7.898 38.926 13.063 1.00 9.73 ? 49 GLY A C 1 ATOM 374 O O . GLY A 1 49 ? -7.380 39.348 14.110 1.00 10.58 ? 49 GLY A O 1 ATOM 375 N N . LEU A 1 50 ? -7.409 37.948 12.303 1.00 8.64 ? 50 LEU A N 1 ATOM 376 C CA . LEU A 1 50 ? -6.062 37.448 12.611 1.00 8.62 ? 50 LEU A CA 1 ATOM 377 C C . LEU A 1 50 ? -5.057 38.443 12.047 1.00 9.31 ? 50 LEU A C 1 ATOM 378 O O . LEU A 1 50 ? -5.281 39.046 11.006 1.00 10.49 ? 50 LEU A O 1 ATOM 379 C CB . LEU A 1 50 ? -5.934 36.069 11.913 1.00 9.81 ? 50 LEU A CB 1 ATOM 380 C CG . LEU A 1 50 ? -6.916 34.994 12.440 1.00 9.87 ? 50 LEU A CG 1 ATOM 381 C CD1 . LEU A 1 50 ? -6.671 33.699 11.658 1.00 9.22 ? 50 LEU A CD1 1 ATOM 382 C CD2 . LEU A 1 50 ? -6.718 34.713 13.940 1.00 11.29 ? 50 LEU A CD2 1 ATOM 383 N N . LYS A 1 51 ? -3.915 38.527 12.742 1.00 8.39 ? 51 LYS A N 1 ATOM 384 C CA . LYS A 1 51 ? -2.932 39.543 12.339 1.00 8.43 ? 51 LYS A CA 1 ATOM 385 C C . LYS A 1 51 ? -1.648 38.980 11.767 1.00 8.02 ? 51 LYS A C 1 ATOM 386 O O . LYS A 1 51 ? -0.863 39.745 11.150 1.00 8.31 ? 51 LYS A O 1 ATOM 387 C CB . LYS A 1 51 ? -2.547 40.384 13.597 1.00 9.91 ? 51 LYS A CB 1 ATOM 388 C CG . LYS A 1 51 ? -3.676 41.387 13.983 1.00 9.01 ? 51 LYS A CG 1 ATOM 389 C CD . LYS A 1 51 ? -3.142 42.264 15.158 1.00 10.36 ? 51 LYS A CD 1 ATOM 390 C CE . LYS A 1 51 ? -4.257 43.260 15.533 1.00 11.10 ? 51 LYS A CE 1 ATOM 391 N NZ . LYS A 1 51 ? -3.779 44.204 16.648 1.00 13.65 ? 51 LYS A NZ 1 ATOM 392 N N . VAL A 1 52 ? -1.382 37.694 11.988 1.00 7.56 ? 52 VAL A N 1 ATOM 393 C CA . VAL A 1 52 ? -0.072 37.108 11.612 1.00 6.90 ? 52 VAL A CA 1 ATOM 394 C C . VAL A 1 52 ? -0.312 35.749 10.954 1.00 7.84 ? 52 VAL A C 1 ATOM 395 O O . VAL A 1 52 ? -1.204 34.985 11.402 1.00 8.29 ? 52 VAL A O 1 ATOM 396 C CB . VAL A 1 52 ? 0.790 36.907 12.895 1.00 7.68 ? 52 VAL A CB 1 ATOM 397 C CG1 . VAL A 1 52 ? 2.181 36.395 12.457 1.00 9.57 ? 52 VAL A CG1 1 ATOM 398 C CG2 . VAL A 1 52 ? 0.987 38.200 13.696 1.00 9.33 ? 52 VAL A CG2 1 ATOM 399 N N . VAL A 1 53 ? 0.418 35.471 9.883 1.00 7.81 ? 53 VAL A N 1 ATOM 400 C CA . VAL A 1 53 ? 0.291 34.202 9.176 1.00 6.94 ? 53 VAL A CA 1 ATOM 401 C C . VAL A 1 53 ? 1.682 33.574 9.094 1.00 6.17 ? 53 VAL A C 1 ATOM 402 O O . VAL A 1 53 ? 2.658 34.295 8.752 1.00 7.64 ? 53 VAL A O 1 ATOM 403 C CB . VAL A 1 53 ? -0.279 34.393 7.726 1.00 6.71 ? 53 VAL A CB 1 ATOM 404 C CG1 . VAL A 1 53 ? -0.533 33.005 7.113 1.00 8.11 ? 53 VAL A CG1 1 ATOM 405 C CG2 . VAL A 1 53 ? -1.581 35.150 7.729 1.00 8.43 ? 53 VAL A CG2 1 ATOM 406 N N . ARG A 1 54 ? 1.802 32.281 9.370 1.00 6.88 ? 54 ARG A N 1 ATOM 407 C CA . ARG A 1 54 ? 3.118 31.590 9.225 1.00 6.48 ? 54 ARG A CA 1 ATOM 408 C C . ARG A 1 54 ? 3.080 30.821 7.924 1.00 7.07 ? 54 ARG A C 1 ATOM 409 O O . ARG A 1 54 ? 2.174 30.006 7.670 1.00 7.67 ? 54 ARG A O 1 ATOM 410 C CB . ARG A 1 54 ? 3.303 30.689 10.438 1.00 7.27 ? 54 ARG A CB 1 ATOM 411 C CG . ARG A 1 54 ? 4.650 29.925 10.443 1.00 6.16 ? 54 ARG A CG 1 ATOM 412 C CD . ARG A 1 54 ? 5.004 29.569 11.896 1.00 6.05 ? 54 ARG A CD 1 ATOM 413 N NE . ARG A 1 54 ? 6.194 28.691 12.010 1.00 6.89 ? 54 ARG A NE 1 ATOM 414 C CZ . ARG A 1 54 ? 6.175 27.357 12.010 1.00 5.82 ? 54 ARG A CZ 1 ATOM 415 N NH1 . ARG A 1 54 ? 5.017 26.677 11.856 1.00 6.42 ? 54 ARG A NH1 1 ATOM 416 N NH2 . ARG A 1 54 ? 7.299 26.648 12.247 1.00 7.11 ? 54 ARG A NH2 1 ATOM 417 N N . VAL A 1 55 ? 4.030 31.102 7.041 1.00 6.23 ? 55 VAL A N 1 ATOM 418 C CA . VAL A 1 55 ? 4.069 30.507 5.667 1.00 6.24 ? 55 VAL A CA 1 ATOM 419 C C . VAL A 1 55 ? 5.451 29.901 5.457 1.00 6.99 ? 55 VAL A C 1 ATOM 420 O O . VAL A 1 55 ? 6.439 30.401 6.043 1.00 7.62 ? 55 VAL A O 1 ATOM 421 C CB . VAL A 1 55 ? 3.763 31.553 4.570 1.00 6.27 ? 55 VAL A CB 1 ATOM 422 C CG1 . VAL A 1 55 ? 2.392 32.201 4.892 1.00 7.95 ? 55 VAL A CG1 1 ATOM 423 C CG2 . VAL A 1 55 ? 4.807 32.665 4.486 1.00 8.12 ? 55 VAL A CG2 1 ATOM 424 N N . TRP A 1 56 ? 5.529 28.830 4.630 1.00 5.92 ? 56 TRP A N 1 ATOM 425 C CA . TRP A 1 56 ? 6.905 28.299 4.439 1.00 6.23 ? 56 TRP A CA 1 ATOM 426 C C . TRP A 1 56 ? 7.775 29.258 3.626 1.00 6.96 ? 56 TRP A C 1 ATOM 427 O O . TRP A 1 56 ? 7.364 29.731 2.565 1.00 8.20 ? 56 TRP A O 1 ATOM 428 C CB . TRP A 1 56 ? 6.857 26.909 3.782 1.00 7.74 ? 56 TRP A CB 1 ATOM 429 C CG . TRP A 1 56 ? 6.441 25.749 4.677 1.00 6.45 ? 56 TRP A CG 1 ATOM 430 C CD1 . TRP A 1 56 ? 6.278 24.468 4.233 1.00 8.03 ? 56 TRP A CD1 1 ATOM 431 C CD2 . TRP A 1 56 ? 6.229 25.680 6.079 1.00 6.50 ? 56 TRP A CD2 1 ATOM 432 N NE1 . TRP A 1 56 ? 6.037 23.602 5.266 1.00 7.45 ? 56 TRP A NE1 1 ATOM 433 C CE2 . TRP A 1 56 ? 5.982 24.317 6.428 1.00 6.75 ? 56 TRP A CE2 1 ATOM 434 C CE3 . TRP A 1 56 ? 6.211 26.636 7.130 1.00 6.98 ? 56 TRP A CE3 1 ATOM 435 C CZ2 . TRP A 1 56 ? 5.717 23.858 7.726 1.00 7.07 ? 56 TRP A CZ2 1 ATOM 436 C CZ3 . TRP A 1 56 ? 5.931 26.180 8.427 1.00 7.04 ? 56 TRP A CZ3 1 ATOM 437 C CH2 . TRP A 1 56 ? 5.698 24.812 8.747 1.00 6.15 ? 56 TRP A CH2 1 ATOM 438 N N . GLY A 1 57 ? 9.044 29.386 4.058 1.00 6.88 ? 57 GLY A N 1 ATOM 439 C CA . GLY A 1 57 ? 10.016 30.178 3.278 1.00 6.99 ? 57 GLY A CA 1 ATOM 440 C C . GLY A 1 57 ? 10.954 29.267 2.480 1.00 5.92 ? 57 GLY A C 1 ATOM 441 O O . GLY A 1 57 ? 11.966 29.797 1.961 1.00 9.58 ? 57 GLY A O 1 ATOM 442 N N . PHE A 1 58 ? 10.605 27.980 2.335 1.00 7.10 ? 58 PHE A N 1 ATOM 443 C CA . PHE A 1 58 ? 11.429 27.021 1.653 1.00 6.57 ? 58 PHE A CA 1 ATOM 444 C C . PHE A 1 58 ? 10.607 26.105 0.750 1.00 6.47 ? 58 PHE A C 1 ATOM 445 O O . PHE A 1 58 ? 9.406 25.924 0.966 1.00 8.29 ? 58 PHE A O 1 ATOM 446 C CB . PHE A 1 58 ? 12.145 26.102 2.717 1.00 7.15 ? 58 PHE A CB 1 ATOM 447 C CG . PHE A 1 58 ? 11.208 25.460 3.716 1.00 7.15 ? 58 PHE A CG 1 ATOM 448 C CD1 . PHE A 1 58 ? 10.518 24.255 3.427 1.00 7.52 ? 58 PHE A CD1 1 ATOM 449 C CD2 . PHE A 1 58 ? 10.978 26.076 4.935 1.00 6.96 ? 58 PHE A CD2 1 ATOM 450 C CE1 . PHE A 1 58 ? 9.656 23.688 4.333 1.00 8.26 ? 58 PHE A CE1 1 ATOM 451 C CE2 . PHE A 1 58 ? 10.113 25.465 5.870 1.00 7.30 ? 58 PHE A CE2 1 ATOM 452 C CZ . PHE A 1 58 ? 9.417 24.292 5.562 1.00 8.74 ? 58 PHE A CZ 1 ATOM 453 N N . ASN A 1 59 ? 11.273 25.494 -0.233 1.00 7.93 ? 59 ASN A N 1 ATOM 454 C CA . ASN A 1 59 ? 10.672 24.421 -1.068 1.00 8.54 ? 59 ASN A CA 1 ATOM 455 C C . ASN A 1 59 ? 11.912 23.834 -1.772 1.00 8.22 ? 59 ASN A C 1 ATOM 456 O O . ASN A 1 59 ? 12.338 24.291 -2.817 1.00 9.29 ? 59 ASN A O 1 ATOM 457 C CB . ASN A 1 59 ? 9.609 24.964 -2.037 1.00 9.48 ? 59 ASN A CB 1 ATOM 458 C CG . ASN A 1 59 ? 8.845 23.802 -2.664 1.00 8.50 ? 59 ASN A CG 1 ATOM 459 O OD1 . ASN A 1 59 ? 9.394 22.744 -2.939 1.00 11.00 ? 59 ASN A OD1 1 ATOM 460 N ND2 . ASN A 1 59 ? 7.576 24.015 -2.991 1.00 8.20 ? 59 ASN A ND2 1 ATOM 461 N N . ASP A 1 60 ? 12.518 22.839 -1.096 1.00 7.34 ? 60 ASP A N 1 ATOM 462 C CA . ASP A 1 60 ? 13.790 22.279 -1.487 1.00 7.79 ? 60 ASP A CA 1 ATOM 463 C C . ASP A 1 60 ? 13.680 20.965 -2.246 1.00 7.91 ? 60 ASP A C 1 ATOM 464 O O . ASP A 1 60 ? 12.869 20.108 -1.859 1.00 9.25 ? 60 ASP A O 1 ATOM 465 C CB . ASP A 1 60 ? 14.613 21.997 -0.182 1.00 9.29 ? 60 ASP A CB 1 ATOM 466 C CG . ASP A 1 60 ? 15.076 23.263 0.499 1.00 7.69 ? 60 ASP A CG 1 ATOM 467 O OD1 . ASP A 1 60 ? 15.626 24.171 -0.217 1.00 8.10 ? 60 ASP A OD1 1 ATOM 468 O OD2 . ASP A 1 60 ? 14.886 23.455 1.715 1.00 8.77 ? 60 ASP A OD2 1 ATOM 469 N N . VAL A 1 61 ? 14.418 20.863 -3.339 1.00 8.80 ? 61 VAL A N 1 ATOM 470 C CA . VAL A 1 61 ? 14.376 19.661 -4.172 1.00 9.88 ? 61 VAL A CA 1 ATOM 471 C C . VAL A 1 61 ? 15.811 19.234 -4.484 1.00 10.45 ? 61 VAL A C 1 ATOM 472 O O . VAL A 1 61 ? 16.719 20.032 -4.332 1.00 10.28 ? 61 VAL A O 1 ATOM 473 C CB . VAL A 1 61 ? 13.611 19.868 -5.509 1.00 10.43 ? 61 VAL A CB 1 ATOM 474 C CG1 . VAL A 1 61 ? 12.136 20.251 -5.253 1.00 11.00 ? 61 VAL A CG1 1 ATOM 475 C CG2 . VAL A 1 61 ? 14.246 20.944 -6.406 1.00 11.29 ? 61 VAL A CG2 1 ATOM 476 N N . ASN A 1 62 ? 15.960 17.999 -4.904 1.00 11.88 ? 62 ASN A N 1 ATOM 477 C CA . ASN A 1 62 ? 17.268 17.507 -5.359 1.00 12.52 ? 62 ASN A CA 1 ATOM 478 C C . ASN A 1 62 ? 17.223 17.341 -6.876 1.00 16.60 ? 62 ASN A C 1 ATOM 479 O O . ASN A 1 62 ? 18.311 17.409 -7.460 1.00 18.63 ? 62 ASN A O 1 ATOM 480 C CB . ASN A 1 62 ? 17.625 16.195 -4.660 1.00 14.38 ? 62 ASN A CB 1 ATOM 481 C CG . ASN A 1 62 ? 17.859 16.365 -3.181 1.00 13.51 ? 62 ASN A CG 1 ATOM 482 O OD1 . ASN A 1 62 ? 17.200 15.789 -2.321 1.00 13.88 ? 62 ASN A OD1 1 ATOM 483 N ND2 . ASN A 1 62 ? 18.835 17.195 -2.815 1.00 11.54 ? 62 ASN A ND2 1 ATOM 484 N N . THR A 1 63 ? 16.056 17.104 -7.469 1.00 19.20 ? 63 THR A N 1 ATOM 485 C CA . THR A 1 63 ? 15.973 16.982 -8.936 1.00 24.04 ? 63 THR A CA 1 ATOM 486 C C . THR A 1 63 ? 15.037 18.096 -9.394 1.00 23.95 ? 63 THR A C 1 ATOM 487 O O . THR A 1 63 ? 14.099 18.352 -8.643 1.00 21.37 ? 63 THR A O 1 ATOM 488 C CB . THR A 1 63 ? 15.404 15.643 -9.415 1.00 28.46 ? 63 THR A CB 1 ATOM 489 O OG1 . THR A 1 63 ? 14.050 15.511 -8.936 1.00 30.96 ? 63 THR A OG1 1 ATOM 490 C CG2 . THR A 1 63 ? 16.117 14.387 -8.964 1.00 30.30 ? 63 THR A CG2 1 ATOM 491 N N . GLN A 1 64 ? 15.166 18.688 -10.565 1.00 26.95 ? 64 GLN A N 1 ATOM 492 C CA . GLN A 1 64 ? 14.180 19.740 -10.887 1.00 28.92 ? 64 GLN A CA 1 ATOM 493 C C . GLN A 1 64 ? 12.825 19.063 -11.141 1.00 26.84 ? 64 GLN A C 1 ATOM 494 O O . GLN A 1 64 ? 12.788 18.041 -11.827 1.00 25.51 ? 64 GLN A O 1 ATOM 495 C CB . GLN A 1 64 ? 14.502 20.577 -12.095 1.00 32.12 ? 64 GLN A CB 1 ATOM 496 C CG . GLN A 1 64 ? 15.547 21.657 -11.991 1.00 34.56 ? 64 GLN A CG 1 ATOM 497 C CD . GLN A 1 64 ? 15.201 22.873 -12.820 1.00 35.92 ? 64 GLN A CD 1 ATOM 498 O OE1 . GLN A 1 64 ? 14.062 23.097 -13.232 1.00 36.75 ? 64 GLN A OE1 1 ATOM 499 N NE2 . GLN A 1 64 ? 16.223 23.692 -13.041 1.00 37.62 ? 64 GLN A NE2 1 ATOM 500 N N . PRO A 1 65 ? 11.780 19.668 -10.637 1.00 25.35 ? 65 PRO A N 1 ATOM 501 C CA . PRO A 1 65 ? 10.460 19.085 -10.768 1.00 24.80 ? 65 PRO A CA 1 ATOM 502 C C . PRO A 1 65 ? 9.949 19.162 -12.209 1.00 25.61 ? 65 PRO A C 1 ATOM 503 O O . PRO A 1 65 ? 10.520 19.866 -13.029 1.00 22.87 ? 65 PRO A O 1 ATOM 504 C CB . PRO A 1 65 ? 9.535 19.887 -9.865 1.00 24.85 ? 65 PRO A CB 1 ATOM 505 C CG . PRO A 1 65 ? 10.224 21.194 -9.766 1.00 23.86 ? 65 PRO A CG 1 ATOM 506 C CD . PRO A 1 65 ? 11.700 20.863 -9.739 1.00 24.43 ? 65 PRO A CD 1 ATOM 507 N N . SER A 1 66 ? 8.795 18.473 -12.355 1.00 25.02 ? 66 SER A N 1 ATOM 508 C CA . SER A 1 66 ? 8.104 18.524 -13.634 1.00 25.36 ? 66 SER A CA 1 ATOM 509 C C . SER A 1 66 ? 8.003 20.014 -13.980 1.00 24.74 ? 66 SER A C 1 ATOM 510 O O . SER A 1 66 ? 7.640 20.885 -13.179 1.00 24.77 ? 66 SER A O 1 ATOM 511 C CB . SER A 1 66 ? 6.660 17.995 -13.553 1.00 24.73 ? 66 SER A CB 1 ATOM 512 O OG . SER A 1 66 ? 6.665 16.578 -13.145 1.00 24.87 ? 66 SER A OG 1 ATOM 513 N N . PRO A 1 67 ? 8.210 20.347 -15.222 1.00 24.76 ? 67 PRO A N 1 ATOM 514 C CA . PRO A 1 67 ? 7.997 21.703 -15.714 1.00 24.73 ? 67 PRO A CA 1 ATOM 515 C C . PRO A 1 67 ? 6.692 22.358 -15.316 1.00 23.85 ? 67 PRO A C 1 ATOM 516 O O . PRO A 1 67 ? 5.575 21.840 -15.440 1.00 23.43 ? 67 PRO A O 1 ATOM 517 C CB . PRO A 1 67 ? 8.211 21.497 -17.223 1.00 26.70 ? 67 PRO A CB 1 ATOM 518 C CG . PRO A 1 67 ? 9.198 20.378 -17.308 1.00 26.87 ? 67 PRO A CG 1 ATOM 519 C CD . PRO A 1 67 ? 8.692 19.387 -16.277 1.00 25.76 ? 67 PRO A CD 1 ATOM 520 N N . GLY A 1 68 ? 6.686 23.518 -14.667 1.00 23.13 ? 68 GLY A N 1 ATOM 521 C CA . GLY A 1 68 ? 5.586 24.310 -14.176 1.00 21.30 ? 68 GLY A CA 1 ATOM 522 C C . GLY A 1 68 ? 5.376 24.216 -12.667 1.00 17.65 ? 68 GLY A C 1 ATOM 523 O O . GLY A 1 68 ? 4.717 25.038 -12.040 1.00 18.24 ? 68 GLY A O 1 ATOM 524 N N . GLN A 1 69 ? 5.932 23.211 -12.026 1.00 16.18 ? 69 GLN A N 1 ATOM 525 C CA . GLN A 1 69 ? 5.863 22.967 -10.608 1.00 16.46 ? 69 GLN A CA 1 ATOM 526 C C . GLN A 1 69 ? 6.735 23.939 -9.809 1.00 14.81 ? 69 GLN A C 1 ATOM 527 O O . GLN A 1 69 ? 7.769 24.388 -10.341 1.00 15.62 ? 69 GLN A O 1 ATOM 528 C CB . GLN A 1 69 ? 6.344 21.522 -10.368 1.00 21.40 ? 69 GLN A CB 1 ATOM 529 C CG . GLN A 1 69 ? 5.388 20.520 -11.012 1.00 24.19 ? 69 GLN A CG 1 ATOM 530 C CD . GLN A 1 69 ? 4.096 20.510 -10.231 1.00 28.12 ? 69 GLN A CD 1 ATOM 531 O OE1 . GLN A 1 69 ? 4.141 20.598 -9.005 1.00 31.72 ? 69 GLN A OE1 1 ATOM 532 N NE2 . GLN A 1 69 ? 2.974 20.423 -10.906 1.00 29.47 ? 69 GLN A NE2 1 ATOM 533 N N . ILE A 1 70 ? 6.253 24.337 -8.652 1.00 12.81 ? 70 ILE A N 1 ATOM 534 C CA . ILE A 1 70 ? 7.032 25.316 -7.842 1.00 12.43 ? 70 ILE A CA 1 ATOM 535 C C . ILE A 1 70 ? 8.212 24.649 -7.132 1.00 12.14 ? 70 ILE A C 1 ATOM 536 O O . ILE A 1 70 ? 8.095 23.515 -6.614 1.00 13.81 ? 70 ILE A O 1 ATOM 537 C CB . ILE A 1 70 ? 6.070 25.942 -6.799 1.00 13.62 ? 70 ILE A CB 1 ATOM 538 C CG1 . ILE A 1 70 ? 4.861 26.601 -7.504 1.00 15.88 ? 70 ILE A CG1 1 ATOM 539 C CG2 . ILE A 1 70 ? 6.737 26.963 -5.862 1.00 14.61 ? 70 ILE A CG2 1 ATOM 540 C CD1 . ILE A 1 70 ? 5.241 27.524 -8.631 1.00 18.26 ? 70 ILE A CD1 1 ATOM 541 N N . TRP A 1 71 ? 9.324 25.388 -7.114 1.00 10.00 ? 71 TRP A N 1 ATOM 542 C CA . TRP A 1 71 ? 10.488 24.986 -6.303 1.00 9.20 ? 71 TRP A CA 1 ATOM 543 C C . TRP A 1 71 ? 11.288 26.239 -5.992 1.00 9.07 ? 71 TRP A C 1 ATOM 544 O O . TRP A 1 71 ? 11.341 27.145 -6.848 1.00 10.21 ? 71 TRP A O 1 ATOM 545 C CB . TRP A 1 71 ? 11.372 23.946 -7.021 1.00 11.05 ? 71 TRP A CB 1 ATOM 546 C CG . TRP A 1 71 ? 11.887 24.409 -8.354 1.00 10.68 ? 71 TRP A CG 1 ATOM 547 C CD1 . TRP A 1 71 ? 11.181 24.520 -9.528 1.00 11.26 ? 71 TRP A CD1 1 ATOM 548 C CD2 . TRP A 1 71 ? 13.227 24.821 -8.675 1.00 11.42 ? 71 TRP A CD2 1 ATOM 549 N NE1 . TRP A 1 71 ? 11.999 24.948 -10.544 1.00 12.08 ? 71 TRP A NE1 1 ATOM 550 C CE2 . TRP A 1 71 ? 13.269 25.145 -10.037 1.00 11.39 ? 71 TRP A CE2 1 ATOM 551 C CE3 . TRP A 1 71 ? 14.419 24.906 -7.915 1.00 11.80 ? 71 TRP A CE3 1 ATOM 552 C CZ2 . TRP A 1 71 ? 14.436 25.590 -10.661 1.00 12.84 ? 71 TRP A CZ2 1 ATOM 553 C CZ3 . TRP A 1 71 ? 15.570 25.359 -8.527 1.00 13.68 ? 71 TRP A CZ3 1 ATOM 554 C CH2 . TRP A 1 71 ? 15.592 25.690 -9.901 1.00 13.88 ? 71 TRP A CH2 1 ATOM 555 N N . PHE A 1 72 ? 11.852 26.359 -4.768 1.00 8.71 ? 72 PHE A N 1 ATOM 556 C CA . PHE A 1 72 ? 12.618 27.557 -4.435 1.00 8.53 ? 72 PHE A CA 1 ATOM 557 C C . PHE A 1 72 ? 14.129 27.298 -4.458 1.00 8.97 ? 72 PHE A C 1 ATOM 558 O O . PHE A 1 72 ? 14.870 28.236 -4.697 1.00 9.39 ? 72 PHE A O 1 ATOM 559 C CB . PHE A 1 72 ? 12.257 28.039 -3.040 1.00 8.39 ? 72 PHE A CB 1 ATOM 560 C CG . PHE A 1 72 ? 10.823 28.514 -2.836 1.00 7.89 ? 72 PHE A CG 1 ATOM 561 C CD1 . PHE A 1 72 ? 10.004 28.798 -3.913 1.00 8.51 ? 72 PHE A CD1 1 ATOM 562 C CD2 . PHE A 1 72 ? 10.321 28.758 -1.590 1.00 8.49 ? 72 PHE A CD2 1 ATOM 563 C CE1 . PHE A 1 72 ? 8.701 29.270 -3.727 1.00 8.99 ? 72 PHE A CE1 1 ATOM 564 C CE2 . PHE A 1 72 ? 9.035 29.208 -1.345 1.00 7.79 ? 72 PHE A CE2 1 ATOM 565 C CZ . PHE A 1 72 ? 8.243 29.488 -2.461 1.00 7.88 ? 72 PHE A CZ 1 ATOM 566 N N . GLN A 1 73 ? 14.550 26.051 -4.244 1.00 9.23 ? 73 GLN A N 1 ATOM 567 C CA . GLN A 1 73 ? 15.991 25.754 -4.253 1.00 9.00 ? 73 GLN A CA 1 ATOM 568 C C . GLN A 1 73 ? 16.249 24.318 -4.668 1.00 9.36 ? 73 GLN A C 1 ATOM 569 O O . GLN A 1 73 ? 15.570 23.426 -4.141 1.00 9.19 ? 73 GLN A O 1 ATOM 570 C CB . GLN A 1 73 ? 16.542 26.005 -2.833 1.00 7.51 ? 73 GLN A CB 1 ATOM 571 C CG . GLN A 1 73 ? 18.074 25.788 -2.737 1.00 9.04 ? 73 GLN A CG 1 ATOM 572 C CD . GLN A 1 73 ? 18.648 26.176 -1.383 1.00 8.88 ? 73 GLN A CD 1 ATOM 573 O OE1 . GLN A 1 73 ? 19.704 26.845 -1.306 1.00 9.70 ? 73 GLN A OE1 1 ATOM 574 N NE2 . GLN A 1 73 ? 18.080 25.763 -0.237 1.00 8.85 ? 73 GLN A NE2 1 ATOM 575 N N . LYS A 1 74 ? 17.240 24.106 -5.536 1.00 9.77 ? 74 LYS A N 1 ATOM 576 C CA . LYS A 1 74 ? 17.635 22.753 -5.953 1.00 11.47 ? 74 LYS A CA 1 ATOM 577 C C . LYS A 1 74 ? 19.004 22.522 -5.309 1.00 10.17 ? 74 LYS A C 1 ATOM 578 O O . LYS A 1 74 ? 19.957 23.315 -5.525 1.00 12.37 ? 74 LYS A O 1 ATOM 579 C CB . LYS A 1 74 ? 17.719 22.662 -7.481 1.00 12.04 ? 74 LYS A CB 1 ATOM 580 C CG . LYS A 1 74 ? 18.291 21.275 -7.865 1.00 17.13 ? 74 LYS A CG 1 ATOM 581 C CD . LYS A 1 74 ? 18.427 21.178 -9.405 1.00 22.25 ? 74 LYS A CD 1 ATOM 582 C CE . LYS A 1 74 ? 19.243 19.909 -9.652 1.00 26.00 ? 74 LYS A CE 1 ATOM 583 N NZ . LYS A 1 74 ? 19.755 19.804 -11.036 1.00 29.03 ? 74 LYS A NZ 1 ATOM 584 N N . LEU A 1 75 ? 19.117 21.499 -4.471 1.00 10.61 ? 75 LEU A N 1 ATOM 585 C CA . LEU A 1 75 ? 20.343 21.210 -3.731 1.00 11.26 ? 75 LEU A CA 1 ATOM 586 C C . LEU A 1 75 ? 21.113 20.107 -4.421 1.00 12.08 ? 75 LEU A C 1 ATOM 587 O O . LEU A 1 75 ? 20.587 19.026 -4.620 1.00 12.94 ? 75 LEU A O 1 ATOM 588 C CB . LEU A 1 75 ? 20.013 20.819 -2.289 1.00 10.95 ? 75 LEU A CB 1 ATOM 589 C CG . LEU A 1 75 ? 19.363 22.008 -1.525 1.00 11.26 ? 75 LEU A CG 1 ATOM 590 C CD1 . LEU A 1 75 ? 18.744 21.542 -0.251 1.00 13.18 ? 75 LEU A CD1 1 ATOM 591 C CD2 . LEU A 1 75 ? 20.398 23.108 -1.256 1.00 10.97 ? 75 LEU A CD2 1 ATOM 592 N N . SER A 1 76 ? 22.378 20.413 -4.745 1.00 11.56 ? 76 SER A N 1 ATOM 593 C CA . SER A 1 76 ? 23.174 19.422 -5.471 1.00 13.45 ? 76 SER A CA 1 ATOM 594 C C . SER A 1 76 ? 24.619 19.523 -5.007 1.00 13.74 ? 76 SER A C 1 ATOM 595 O O . SER A 1 76 ? 25.100 20.644 -4.865 1.00 15.66 ? 76 SER A O 1 ATOM 596 C CB . SER A 1 76 ? 23.121 19.821 -6.983 1.00 17.23 ? 76 SER A CB 1 ATOM 597 O OG . SER A 1 76 ? 24.110 19.150 -7.695 1.00 20.85 ? 76 SER A OG 1 ATOM 598 N N . ALA A 1 77 ? 25.301 18.376 -5.030 1.00 14.67 ? 77 ALA A N 1 ATOM 599 C CA . ALA A 1 77 ? 26.723 18.323 -4.698 1.00 14.68 ? 77 ALA A CA 1 ATOM 600 C C . ALA A 1 77 ? 27.564 19.155 -5.654 1.00 15.56 ? 77 ALA A C 1 ATOM 601 O O . ALA A 1 77 ? 28.687 19.543 -5.329 1.00 16.93 ? 77 ALA A O 1 ATOM 602 C CB . ALA A 1 77 ? 27.175 16.857 -4.794 1.00 15.98 ? 77 ALA A CB 1 ATOM 603 N N . THR A 1 78 ? 27.068 19.332 -6.883 1.00 13.27 ? 78 THR A N 1 ATOM 604 C CA . THR A 1 78 ? 27.868 20.064 -7.865 1.00 13.10 ? 78 THR A CA 1 ATOM 605 C C . THR A 1 78 ? 27.396 21.459 -8.197 1.00 14.47 ? 78 THR A C 1 ATOM 606 O O . THR A 1 78 ? 27.770 21.972 -9.229 1.00 14.33 ? 78 THR A O 1 ATOM 607 C CB . THR A 1 78 ? 27.967 19.217 -9.159 1.00 14.25 ? 78 THR A CB 1 ATOM 608 O OG1 . THR A 1 78 ? 26.679 18.948 -9.737 1.00 14.95 ? 78 THR A OG1 1 ATOM 609 C CG2 . THR A 1 78 ? 28.707 17.926 -8.779 1.00 14.10 ? 78 THR A CG2 1 ATOM 610 N N . GLY A 1 79 ? 26.610 22.024 -7.292 1.00 16.58 ? 79 GLY A N 1 ATOM 611 C CA . GLY A 1 79 ? 26.191 23.410 -7.506 1.00 15.22 ? 79 GLY A CA 1 ATOM 612 C C . GLY A 1 79 ? 24.661 23.476 -7.393 1.00 15.20 ? 79 GLY A C 1 ATOM 613 O O . GLY A 1 79 ? 23.937 22.857 -8.153 1.00 16.99 ? 79 GLY A O 1 ATOM 614 N N . SER A 1 80 ? 24.297 24.263 -6.404 1.00 13.07 ? 80 SER A N 1 ATOM 615 C CA . SER A 1 80 ? 22.875 24.390 -6.080 1.00 13.34 ? 80 SER A CA 1 ATOM 616 C C . SER A 1 80 ? 22.359 25.626 -6.783 1.00 13.21 ? 80 SER A C 1 ATOM 617 O O . SER A 1 80 ? 23.109 26.522 -7.131 1.00 14.54 ? 80 SER A O 1 ATOM 618 C CB . SER A 1 80 ? 22.746 24.460 -4.576 1.00 13.60 ? 80 SER A CB 1 ATOM 619 O OG . SER A 1 80 ? 23.135 23.241 -3.940 1.00 13.03 ? 80 SER A OG 1 ATOM 620 N N . THR A 1 81 ? 21.040 25.647 -6.933 1.00 10.85 ? 81 THR A N 1 ATOM 621 C CA . THR A 1 81 ? 20.426 26.770 -7.646 1.00 12.69 ? 81 THR A CA 1 ATOM 622 C C . THR A 1 81 ? 19.253 27.328 -6.821 1.00 10.41 ? 81 THR A C 1 ATOM 623 O O . THR A 1 81 ? 18.424 26.528 -6.390 1.00 11.99 ? 81 THR A O 1 ATOM 624 C CB . THR A 1 81 ? 19.833 26.266 -8.982 1.00 15.54 ? 81 THR A CB 1 ATOM 625 O OG1 . THR A 1 81 ? 20.919 25.722 -9.793 1.00 18.72 ? 81 THR A OG1 1 ATOM 626 C CG2 . THR A 1 81 ? 19.311 27.490 -9.742 1.00 18.22 ? 81 THR A CG2 1 ATOM 627 N N . ILE A 1 82 ? 19.200 28.646 -6.683 1.00 9.41 ? 82 ILE A N 1 ATOM 628 C CA . ILE A 1 82 ? 18.064 29.258 -5.976 1.00 9.40 ? 82 ILE A CA 1 ATOM 629 C C . ILE A 1 82 ? 17.157 29.852 -7.063 1.00 9.88 ? 82 ILE A C 1 ATOM 630 O O . ILE A 1 82 ? 17.618 30.611 -7.936 1.00 12.19 ? 82 ILE A O 1 ATOM 631 C CB . ILE A 1 82 ? 18.572 30.310 -4.955 1.00 9.97 ? 82 ILE A CB 1 ATOM 632 C CG1 . ILE A 1 82 ? 19.332 29.598 -3.831 1.00 10.56 ? 82 ILE A CG1 1 ATOM 633 C CG2 . ILE A 1 82 ? 17.351 31.089 -4.425 1.00 11.16 ? 82 ILE A CG2 1 ATOM 634 C CD1 . ILE A 1 82 ? 20.121 30.588 -2.980 1.00 12.19 ? 82 ILE A CD1 1 ATOM 635 N N . ASN A 1 83 ? 15.886 29.429 -7.088 1.00 10.56 ? 83 ASN A N 1 ATOM 636 C CA . ASN A 1 83 ? 14.957 29.829 -8.142 1.00 9.80 ? 83 ASN A CA 1 ATOM 637 C C . ASN A 1 83 ? 14.225 31.140 -7.830 1.00 11.80 ? 83 ASN A C 1 ATOM 638 O O . ASN A 1 83 ? 13.362 31.177 -6.934 1.00 11.69 ? 83 ASN A O 1 ATOM 639 C CB . ASN A 1 83 ? 13.892 28.695 -8.299 1.00 10.75 ? 83 ASN A CB 1 ATOM 640 C CG . ASN A 1 83 ? 13.016 28.903 -9.530 1.00 10.66 ? 83 ASN A CG 1 ATOM 641 O OD1 . ASN A 1 83 ? 13.286 29.785 -10.374 1.00 13.03 ? 83 ASN A OD1 1 ATOM 642 N ND2 . ASN A 1 83 ? 11.954 28.093 -9.642 1.00 11.91 ? 83 ASN A ND2 1 ATOM 643 N N . THR A 1 84 ? 14.545 32.161 -8.619 1.00 12.04 ? 84 THR A N 1 ATOM 644 C CA . THR A 1 84 ? 13.883 33.449 -8.486 1.00 12.07 ? 84 THR A CA 1 ATOM 645 C C . THR A 1 84 ? 12.952 33.706 -9.668 1.00 12.51 ? 84 THR A C 1 ATOM 646 O O . THR A 1 84 ? 12.441 34.821 -9.788 1.00 14.49 ? 84 THR A O 1 ATOM 647 C CB . THR A 1 84 ? 14.856 34.630 -8.367 1.00 14.51 ? 84 THR A CB 1 ATOM 648 O OG1 . THR A 1 84 ? 15.608 34.674 -9.590 1.00 17.37 ? 84 THR A OG1 1 ATOM 649 C CG2 . THR A 1 84 ? 15.788 34.465 -7.158 1.00 15.74 ? 84 THR A CG2 1 ATOM 650 N N . GLY A 1 85 ? 12.536 32.668 -10.385 1.00 12.03 ? 85 GLY A N 1 ATOM 651 C CA . GLY A 1 85 ? 11.634 32.771 -11.523 1.00 13.95 ? 85 GLY A CA 1 ATOM 652 C C . GLY A 1 85 ? 10.163 32.736 -11.087 1.00 13.34 ? 85 GLY A C 1 ATOM 653 O O . GLY A 1 85 ? 9.834 32.702 -9.899 1.00 13.05 ? 85 GLY A O 1 ATOM 654 N N . ALA A 1 86 ? 9.283 32.690 -12.106 1.00 15.14 ? 86 ALA A N 1 ATOM 655 C CA . ALA A 1 86 ? 7.855 32.716 -11.873 1.00 14.17 ? 86 ALA A CA 1 ATOM 656 C C . ALA A 1 86 ? 7.384 31.423 -11.198 1.00 15.19 ? 86 ALA A C 1 ATOM 657 O O . ALA A 1 86 ? 6.358 31.491 -10.517 1.00 17.27 ? 86 ALA A O 1 ATOM 658 C CB . ALA A 1 86 ? 7.083 32.841 -13.198 1.00 15.32 ? 86 ALA A CB 1 ATOM 659 N N . ASP A 1 87 ? 8.117 30.319 -11.342 1.00 14.55 ? 87 ASP A N 1 ATOM 660 C CA . ASP A 1 87 ? 7.794 29.053 -10.685 1.00 14.91 ? 87 ASP A CA 1 ATOM 661 C C . ASP A 1 87 ? 8.672 28.895 -9.438 1.00 14.25 ? 87 ASP A C 1 ATOM 662 O O . ASP A 1 87 ? 8.813 27.774 -8.909 1.00 13.75 ? 87 ASP A O 1 ATOM 663 C CB . ASP A 1 87 ? 8.011 27.867 -11.634 1.00 16.72 ? 87 ASP A CB 1 ATOM 664 C CG . ASP A 1 87 ? 9.359 27.830 -12.289 1.00 19.91 ? 87 ASP A CG 1 ATOM 665 O OD1 . ASP A 1 87 ? 10.264 28.679 -12.021 1.00 17.16 ? 87 ASP A OD1 1 ATOM 666 O OD2 . ASP A 1 87 ? 9.529 26.906 -13.159 1.00 24.26 ? 87 ASP A OD2 1 ATOM 667 N N . GLY A 1 88 ? 9.232 30.029 -8.975 1.00 10.81 ? 88 GLY A N 1 ATOM 668 C CA . GLY A 1 88 ? 10.078 30.003 -7.802 1.00 10.96 ? 88 GLY A CA 1 ATOM 669 C C . GLY A 1 88 ? 9.692 31.023 -6.766 1.00 11.56 ? 88 GLY A C 1 ATOM 670 O O . GLY A 1 88 ? 8.484 31.209 -6.466 1.00 11.48 ? 88 GLY A O 1 ATOM 671 N N . LEU A 1 89 ? 10.640 31.821 -6.274 1.00 11.40 ? 89 LEU A N 1 ATOM 672 C CA . LEU A 1 89 ? 10.382 32.785 -5.197 1.00 11.70 ? 89 LEU A CA 1 ATOM 673 C C . LEU A 1 89 ? 9.429 33.905 -5.574 1.00 12.01 ? 89 LEU A C 1 ATOM 674 O O . LEU A 1 89 ? 8.963 34.613 -4.661 1.00 10.94 ? 89 LEU A O 1 ATOM 675 C CB . LEU A 1 89 ? 11.700 33.345 -4.623 1.00 11.00 ? 89 LEU A CB 1 ATOM 676 C CG . LEU A 1 89 ? 12.463 32.329 -3.744 1.00 9.68 ? 89 LEU A CG 1 ATOM 677 C CD1 . LEU A 1 89 ? 13.906 32.819 -3.569 1.00 11.18 ? 89 LEU A CD1 1 ATOM 678 C CD2 . LEU A 1 89 ? 11.783 32.082 -2.413 1.00 10.66 ? 89 LEU A CD2 1 ATOM 679 N N . GLN A 1 90 ? 9.087 34.068 -6.868 1.00 11.78 ? 90 GLN A N 1 ATOM 680 C CA . GLN A 1 90 ? 8.047 35.062 -7.198 1.00 12.59 ? 90 GLN A CA 1 ATOM 681 C C . GLN A 1 90 ? 6.729 34.618 -6.597 1.00 12.19 ? 90 GLN A C 1 ATOM 682 O O . GLN A 1 90 ? 5.897 35.529 -6.384 1.00 12.16 ? 90 GLN A O 1 ATOM 683 C CB . GLN A 1 90 ? 7.962 35.210 -8.721 1.00 13.42 ? 90 GLN A CB 1 ATOM 684 C CG . GLN A 1 90 ? 9.185 35.884 -9.316 1.00 13.32 ? 90 GLN A CG 1 ATOM 685 C CD . GLN A 1 90 ? 9.040 36.120 -10.812 1.00 15.51 ? 90 GLN A CD 1 ATOM 686 O OE1 . GLN A 1 90 ? 7.935 36.326 -11.317 1.00 17.71 ? 90 GLN A OE1 1 ATOM 687 N NE2 . GLN A 1 90 ? 10.162 36.084 -11.485 1.00 16.65 ? 90 GLN A NE2 1 ATOM 688 N N . THR A 1 91 ? 6.443 33.360 -6.288 1.00 11.94 ? 91 THR A N 1 ATOM 689 C CA . THR A 1 91 ? 5.190 33.005 -5.647 1.00 12.80 ? 91 THR A CA 1 ATOM 690 C C . THR A 1 91 ? 5.197 33.541 -4.221 1.00 12.97 ? 91 THR A C 1 ATOM 691 O O . THR A 1 91 ? 4.197 34.079 -3.746 1.00 13.31 ? 91 THR A O 1 ATOM 692 C CB . THR A 1 91 ? 4.833 31.507 -5.656 1.00 13.33 ? 91 THR A CB 1 ATOM 693 O OG1 A THR A 1 91 ? 5.678 30.787 -4.732 0.50 13.00 ? 91 THR A OG1 1 ATOM 694 O OG1 B THR A 1 91 ? 3.543 31.256 -5.162 0.50 19.27 ? 91 THR A OG1 1 ATOM 695 C CG2 A THR A 1 91 ? 4.886 30.924 -7.050 0.50 10.21 ? 91 THR A CG2 1 ATOM 696 C CG2 B THR A 1 91 ? 5.880 30.747 -4.841 0.50 14.68 ? 91 THR A CG2 1 ATOM 697 N N . LEU A 1 92 ? 6.393 33.478 -3.553 1.00 11.11 ? 92 LEU A N 1 ATOM 698 C CA . LEU A 1 92 ? 6.490 34.037 -2.197 1.00 10.22 ? 92 LEU A CA 1 ATOM 699 C C . LEU A 1 92 ? 6.466 35.565 -2.268 1.00 10.25 ? 92 LEU A C 1 ATOM 700 O O . LEU A 1 92 ? 5.869 36.206 -1.381 1.00 8.94 ? 92 LEU A O 1 ATOM 701 C CB . LEU A 1 92 ? 7.797 33.587 -1.540 1.00 10.05 ? 92 LEU A CB 1 ATOM 702 C CG . LEU A 1 92 ? 7.969 33.993 -0.053 1.00 8.30 ? 92 LEU A CG 1 ATOM 703 C CD1 . LEU A 1 92 ? 6.884 33.388 0.816 1.00 11.46 ? 92 LEU A CD1 1 ATOM 704 C CD2 . LEU A 1 92 ? 9.340 33.491 0.451 1.00 9.94 ? 92 LEU A CD2 1 ATOM 705 N N . ASP A 1 93 ? 6.963 36.157 -3.336 1.00 8.91 ? 93 ASP A N 1 ATOM 706 C CA . ASP A 1 93 ? 6.880 37.629 -3.436 1.00 9.60 ? 93 ASP A CA 1 ATOM 707 C C . ASP A 1 93 ? 5.424 38.112 -3.427 1.00 9.62 ? 93 ASP A C 1 ATOM 708 O O . ASP A 1 93 ? 5.093 39.138 -2.823 1.00 9.31 ? 93 ASP A O 1 ATOM 709 C CB . ASP A 1 93 ? 7.490 38.109 -4.768 1.00 10.24 ? 93 ASP A CB 1 ATOM 710 C CG . ASP A 1 93 ? 8.981 37.987 -4.895 1.00 10.77 ? 93 ASP A CG 1 ATOM 711 O OD1 . ASP A 1 93 ? 9.689 37.811 -3.874 1.00 10.99 ? 93 ASP A OD1 1 ATOM 712 O OD2 . ASP A 1 93 ? 9.454 38.122 -6.042 1.00 13.86 ? 93 ASP A OD2 1 ATOM 713 N N . TYR A 1 94 ? 4.535 37.357 -4.109 1.00 8.53 ? 94 TYR A N 1 ATOM 714 C CA . TYR A 1 94 ? 3.124 37.768 -4.126 1.00 8.45 ? 94 TYR A CA 1 ATOM 715 C C . TYR A 1 94 ? 2.470 37.597 -2.766 1.00 9.91 ? 94 TYR A C 1 ATOM 716 O O . TYR A 1 94 ? 1.610 38.413 -2.441 1.00 9.81 ? 94 TYR A O 1 ATOM 717 C CB . TYR A 1 94 ? 2.332 37.065 -5.246 1.00 8.65 ? 94 TYR A CB 1 ATOM 718 C CG . TYR A 1 94 ? 0.982 37.766 -5.425 1.00 9.54 ? 94 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 94 ? 0.890 38.959 -6.151 1.00 11.10 ? 94 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 94 ? -0.165 37.239 -4.847 1.00 10.54 ? 94 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 94 ? -0.335 39.606 -6.252 1.00 13.47 ? 94 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 94 ? -1.395 37.886 -4.928 1.00 10.93 ? 94 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 94 ? -1.463 39.056 -5.671 1.00 14.07 ? 94 TYR A CZ 1 ATOM 724 O OH . TYR A 1 94 ? -2.666 39.734 -5.812 1.00 15.68 ? 94 TYR A OH 1 ATOM 725 N N . VAL A 1 95 ? 2.888 36.565 -2.025 1.00 10.18 ? 95 VAL A N 1 ATOM 726 C CA . VAL A 1 95 ? 2.356 36.412 -0.661 1.00 9.34 ? 95 VAL A CA 1 ATOM 727 C C . VAL A 1 95 ? 2.762 37.599 0.171 1.00 9.13 ? 95 VAL A C 1 ATOM 728 O O . VAL A 1 95 ? 1.960 38.141 0.950 1.00 8.40 ? 95 VAL A O 1 ATOM 729 C CB . VAL A 1 95 ? 2.922 35.088 -0.096 1.00 9.33 ? 95 VAL A CB 1 ATOM 730 C CG1 . VAL A 1 95 ? 2.555 34.942 1.391 1.00 11.07 ? 95 VAL A CG1 1 ATOM 731 C CG2 . VAL A 1 95 ? 2.292 33.960 -0.896 1.00 11.81 ? 95 VAL A CG2 1 ATOM 732 N N . VAL A 1 96 ? 3.995 38.096 0.038 1.00 8.59 ? 96 VAL A N 1 ATOM 733 C CA . VAL A 1 96 ? 4.407 39.286 0.806 1.00 9.25 ? 96 VAL A CA 1 ATOM 734 C C . VAL A 1 96 ? 3.669 40.537 0.306 1.00 10.23 ? 96 VAL A C 1 ATOM 735 O O . VAL A 1 96 ? 3.206 41.326 1.126 1.00 9.96 ? 96 VAL A O 1 ATOM 736 C CB . VAL A 1 96 ? 5.934 39.467 0.750 1.00 8.93 ? 96 VAL A CB 1 ATOM 737 C CG1 . VAL A 1 96 ? 6.370 40.756 1.487 1.00 11.68 ? 96 VAL A CG1 1 ATOM 738 C CG2 . VAL A 1 96 ? 6.672 38.264 1.319 1.00 9.86 ? 96 VAL A CG2 1 ATOM 739 N N . GLN A 1 97 ? 3.467 40.683 -1.014 1.00 8.99 ? 97 GLN A N 1 ATOM 740 C CA . GLN A 1 97 ? 2.682 41.766 -1.604 1.00 10.07 ? 97 GLN A CA 1 ATOM 741 C C . GLN A 1 97 ? 1.275 41.755 -1.037 1.00 10.78 ? 97 GLN A C 1 ATOM 742 O O . GLN A 1 97 ? 0.765 42.805 -0.619 1.00 10.08 ? 97 GLN A O 1 ATOM 743 C CB . GLN A 1 97 ? 2.655 41.633 -3.158 1.00 11.06 ? 97 GLN A CB 1 ATOM 744 C CG . GLN A 1 97 ? 1.839 42.793 -3.783 1.00 11.72 ? 97 GLN A CG 1 ATOM 745 C CD . GLN A 1 97 ? 1.525 42.654 -5.235 1.00 12.48 ? 97 GLN A CD 1 ATOM 746 O OE1 . GLN A 1 97 ? 0.514 43.193 -5.806 1.00 15.43 ? 97 GLN A OE1 1 ATOM 747 N NE2 . GLN A 1 97 ? 2.351 41.967 -6.020 1.00 10.18 ? 97 GLN A NE2 1 ATOM 748 N N . SER A 1 98 ? 0.643 40.577 -1.009 1.00 8.94 ? 98 SER A N 1 ATOM 749 C CA . SER A 1 98 ? -0.740 40.511 -0.490 1.00 9.45 ? 98 SER A CA 1 ATOM 750 C C . SER A 1 98 ? -0.801 40.758 1.006 1.00 8.70 ? 98 SER A C 1 ATOM 751 O O . SER A 1 98 ? -1.746 41.375 1.538 1.00 10.88 ? 98 SER A O 1 ATOM 752 C CB . SER A 1 98 ? -1.258 39.080 -0.827 1.00 9.25 ? 98 SER A CB 1 ATOM 753 O OG . SER A 1 98 ? -2.595 38.986 -0.375 1.00 11.63 ? 98 SER A OG 1 ATOM 754 N N . ALA A 1 99 ? 0.219 40.308 1.779 1.00 8.40 ? 99 ALA A N 1 ATOM 755 C CA . ALA A 1 99 ? 0.277 40.607 3.218 1.00 8.73 ? 99 ALA A CA 1 ATOM 756 C C . ALA A 1 99 ? 0.353 42.117 3.413 1.00 8.87 ? 99 ALA A C 1 ATOM 757 O O . ALA A 1 99 ? -0.345 42.712 4.263 1.00 9.51 ? 99 ALA A O 1 ATOM 758 C CB . ALA A 1 99 ? 1.465 39.923 3.912 1.00 9.12 ? 99 ALA A CB 1 ATOM 759 N N . GLU A 1 100 ? 1.209 42.801 2.609 1.00 7.40 ? 100 GLU A N 1 ATOM 760 C CA . GLU A 1 100 ? 1.268 44.279 2.693 1.00 9.41 ? 100 GLU A CA 1 ATOM 761 C C . GLU A 1 100 ? -0.087 44.949 2.423 1.00 8.65 ? 100 GLU A C 1 ATOM 762 O O . GLU A 1 100 ? -0.493 45.891 3.146 1.00 10.84 ? 100 GLU A O 1 ATOM 763 C CB . GLU A 1 100 ? 2.284 44.854 1.685 1.00 8.93 ? 100 GLU A CB 1 ATOM 764 C CG . GLU A 1 100 ? 3.738 44.457 2.071 1.00 10.04 ? 100 GLU A CG 1 ATOM 765 C CD . GLU A 1 100 ? 4.749 44.855 1.013 1.00 12.36 ? 100 GLU A CD 1 ATOM 766 O OE1 . GLU A 1 100 ? 4.398 45.213 -0.117 1.00 12.49 ? 100 GLU A OE1 1 ATOM 767 O OE2 . GLU A 1 100 ? 5.967 44.709 1.332 1.00 15.64 ? 100 GLU A OE2 1 ATOM 768 N N . GLN A 1 101 ? -0.810 44.449 1.401 1.00 9.63 ? 101 GLN A N 1 ATOM 769 C CA . GLN A 1 101 ? -2.095 45.063 1.030 1.00 9.67 ? 101 GLN A CA 1 ATOM 770 C C . GLN A 1 101 ? -3.132 44.767 2.084 1.00 11.58 ? 101 GLN A C 1 ATOM 771 O O . GLN A 1 101 ? -4.041 45.620 2.254 1.00 16.08 ? 101 GLN A O 1 ATOM 772 C CB . GLN A 1 101 ? -2.503 44.549 -0.353 1.00 9.92 ? 101 GLN A CB 1 ATOM 773 C CG . GLN A 1 101 ? -1.631 45.172 -1.476 1.00 12.82 ? 101 GLN A CG 1 ATOM 774 C CD . GLN A 1 101 ? -1.832 44.540 -2.844 1.00 14.85 ? 101 GLN A CD 1 ATOM 775 O OE1 . GLN A 1 101 ? -2.871 43.850 -3.109 1.00 18.28 ? 101 GLN A OE1 1 ATOM 776 N NE2 . GLN A 1 101 ? -0.815 44.826 -3.640 1.00 14.33 ? 101 GLN A NE2 1 ATOM 777 N N . HIS A 1 102 ? -3.064 43.615 2.765 1.00 11.49 ? 102 HIS A N 1 ATOM 778 C CA . HIS A 1 102 ? -4.081 43.249 3.744 1.00 13.66 ? 102 HIS A CA 1 ATOM 779 C C . HIS A 1 102 ? -3.658 43.576 5.162 1.00 14.22 ? 102 HIS A C 1 ATOM 780 O O . HIS A 1 102 ? -4.401 43.257 6.090 1.00 16.48 ? 102 HIS A O 1 ATOM 781 C CB . HIS A 1 102 ? -4.443 41.751 3.678 1.00 13.18 ? 102 HIS A CB 1 ATOM 782 C CG . HIS A 1 102 ? -5.220 41.348 2.467 1.00 13.63 ? 102 HIS A CG 1 ATOM 783 N ND1 . HIS A 1 102 ? -4.618 40.889 1.345 1.00 16.29 ? 102 HIS A ND1 1 ATOM 784 C CD2 . HIS A 1 102 ? -6.580 41.345 2.202 1.00 15.37 ? 102 HIS A CD2 1 ATOM 785 C CE1 . HIS A 1 102 ? -5.518 40.610 0.406 1.00 16.89 ? 102 HIS A CE1 1 ATOM 786 N NE2 . HIS A 1 102 ? -6.679 40.881 0.909 1.00 15.84 ? 102 HIS A NE2 1 ATOM 787 N N . ASN A 1 103 ? -2.533 44.264 5.337 1.00 14.60 ? 103 ASN A N 1 ATOM 788 C CA . ASN A 1 103 ? -2.055 44.652 6.655 1.00 15.74 ? 103 ASN A CA 1 ATOM 789 C C . ASN A 1 103 ? -1.887 43.396 7.526 1.00 13.31 ? 103 ASN A C 1 ATOM 790 O O . ASN A 1 103 ? -2.191 43.357 8.731 1.00 16.40 ? 103 ASN A O 1 ATOM 791 C CB . ASN A 1 103 ? -3.030 45.665 7.323 1.00 20.09 ? 103 ASN A CB 1 ATOM 792 C CG . ASN A 1 103 ? -3.377 46.869 6.426 1.00 23.93 ? 103 ASN A CG 1 ATOM 793 O OD1 . ASN A 1 103 ? -4.531 47.147 6.020 1.00 28.39 ? 103 ASN A OD1 1 ATOM 794 N ND2 . ASN A 1 103 ? -2.305 47.568 6.162 1.00 22.74 ? 103 ASN A ND2 1 ATOM 795 N N . LEU A 1 104 ? -1.341 42.346 6.933 1.00 7.94 ? 104 LEU A N 1 ATOM 796 C CA . LEU A 1 104 ? -0.984 41.112 7.643 1.00 9.02 ? 104 LEU A CA 1 ATOM 797 C C . LEU A 1 104 ? 0.528 41.048 7.850 1.00 8.04 ? 104 LEU A C 1 ATOM 798 O O . LEU A 1 104 ? 1.243 41.634 7.040 1.00 10.36 ? 104 LEU A O 1 ATOM 799 C CB . LEU A 1 104 ? -1.455 39.845 6.895 1.00 9.51 ? 104 LEU A CB 1 ATOM 800 C CG . LEU A 1 104 ? -2.972 39.585 6.888 1.00 8.88 ? 104 LEU A CG 1 ATOM 801 C CD1 . LEU A 1 104 ? -3.285 38.491 5.865 1.00 8.70 ? 104 LEU A CD1 1 ATOM 802 C CD2 . LEU A 1 104 ? -3.522 39.230 8.272 1.00 10.25 ? 104 LEU A CD2 1 ATOM 803 N N . LYS A 1 105 ? 0.989 40.331 8.886 1.00 7.61 ? 105 LYS A N 1 ATOM 804 C CA . LYS A 1 105 ? 2.442 40.141 9.116 1.00 6.92 ? 105 LYS A CA 1 ATOM 805 C C . LYS A 1 105 ? 2.763 38.647 8.923 1.00 7.97 ? 105 LYS A C 1 ATOM 806 O O . LYS A 1 105 ? 1.891 37.787 9.169 1.00 9.49 ? 105 LYS A O 1 ATOM 807 C CB . LYS A 1 105 ? 2.885 40.545 10.547 1.00 8.46 ? 105 LYS A CB 1 ATOM 808 C CG . LYS A 1 105 ? 2.367 41.974 10.928 1.00 8.29 ? 105 LYS A CG 1 ATOM 809 C CD . LYS A 1 105 ? 2.946 43.026 9.976 1.00 8.57 ? 105 LYS A CD 1 ATOM 810 C CE . LYS A 1 105 ? 2.597 44.430 10.505 1.00 11.48 ? 105 LYS A CE 1 ATOM 811 N NZ . LYS A 1 105 ? 2.879 45.435 9.449 1.00 13.25 ? 105 LYS A NZ 1 ATOM 812 N N . LEU A 1 106 ? 3.989 38.336 8.478 1.00 6.82 ? 106 LEU A N 1 ATOM 813 C CA . LEU A 1 106 ? 4.337 36.933 8.228 1.00 6.32 ? 106 LEU A CA 1 ATOM 814 C C . LEU A 1 106 ? 5.534 36.396 9.025 1.00 7.28 ? 106 LEU A C 1 ATOM 815 O O . LEU A 1 106 ? 6.521 37.093 9.188 1.00 8.07 ? 106 LEU A O 1 ATOM 816 C CB . LEU A 1 106 ? 4.756 36.840 6.747 1.00 6.92 ? 106 LEU A CB 1 ATOM 817 C CG . LEU A 1 106 ? 3.734 37.328 5.690 1.00 6.15 ? 106 LEU A CG 1 ATOM 818 C CD1 . LEU A 1 106 ? 4.312 37.356 4.285 1.00 9.87 ? 106 LEU A CD1 1 ATOM 819 C CD2 . LEU A 1 106 ? 2.507 36.386 5.751 1.00 8.95 ? 106 LEU A CD2 1 ATOM 820 N N . ILE A 1 107 ? 5.366 35.159 9.516 1.00 6.52 ? 107 ILE A N 1 ATOM 821 C CA . ILE A 1 107 ? 6.543 34.447 10.129 1.00 6.56 ? 107 ILE A CA 1 ATOM 822 C C . ILE A 1 107 ? 7.049 33.503 9.071 1.00 6.58 ? 107 ILE A C 1 ATOM 823 O O . ILE A 1 107 ? 6.235 32.740 8.499 1.00 7.56 ? 107 ILE A O 1 ATOM 824 C CB . ILE A 1 107 ? 6.193 33.717 11.423 1.00 6.64 ? 107 ILE A CB 1 ATOM 825 C CG1 . ILE A 1 107 ? 5.846 34.748 12.504 1.00 7.83 ? 107 ILE A CG1 1 ATOM 826 C CG2 . ILE A 1 107 ? 7.354 32.796 11.870 1.00 8.51 ? 107 ILE A CG2 1 ATOM 827 C CD1 . ILE A 1 107 ? 5.344 34.105 13.834 1.00 8.52 ? 107 ILE A CD1 1 ATOM 828 N N . ILE A 1 108 ? 8.335 33.558 8.716 1.00 6.62 ? 108 ILE A N 1 ATOM 829 C CA . ILE A 1 108 ? 8.853 32.769 7.589 1.00 6.45 ? 108 ILE A CA 1 ATOM 830 C C . ILE A 1 108 ? 10.083 31.955 7.950 1.00 7.22 ? 108 ILE A C 1 ATOM 831 O O . ILE A 1 108 ? 11.182 32.536 8.169 1.00 7.50 ? 108 ILE A O 1 ATOM 832 C CB . ILE A 1 108 ? 9.220 33.765 6.420 1.00 5.77 ? 108 ILE A CB 1 ATOM 833 C CG1 . ILE A 1 108 ? 7.992 34.622 6.034 1.00 6.55 ? 108 ILE A CG1 1 ATOM 834 C CG2 . ILE A 1 108 ? 9.722 32.978 5.234 1.00 7.47 ? 108 ILE A CG2 1 ATOM 835 C CD1 . ILE A 1 108 ? 8.227 35.503 4.813 1.00 8.40 ? 108 ILE A CD1 1 ATOM 836 N N . PRO A 1 109 ? 9.965 30.638 8.143 1.00 6.96 ? 109 PRO A N 1 ATOM 837 C CA . PRO A 1 109 ? 11.084 29.759 8.385 1.00 6.68 ? 109 PRO A CA 1 ATOM 838 C C . PRO A 1 109 ? 11.824 29.406 7.090 1.00 7.07 ? 109 PRO A C 1 ATOM 839 O O . PRO A 1 109 ? 11.237 29.281 6.012 1.00 7.52 ? 109 PRO A O 1 ATOM 840 C CB . PRO A 1 109 ? 10.470 28.477 9.014 1.00 7.71 ? 109 PRO A CB 1 ATOM 841 C CG . PRO A 1 109 ? 9.108 28.441 8.308 1.00 7.71 ? 109 PRO A CG 1 ATOM 842 C CD . PRO A 1 109 ? 8.681 29.911 8.240 1.00 8.74 ? 109 PRO A CD 1 ATOM 843 N N . PHE A 1 110 ? 13.161 29.193 7.278 1.00 6.05 ? 110 PHE A N 1 ATOM 844 C CA . PHE A 1 110 ? 14.004 28.980 6.106 1.00 6.17 ? 110 PHE A CA 1 ATOM 845 C C . PHE A 1 110 ? 14.297 27.564 5.670 1.00 6.37 ? 110 PHE A C 1 ATOM 846 O O . PHE A 1 110 ? 14.764 27.356 4.567 1.00 7.05 ? 110 PHE A O 1 ATOM 847 C CB . PHE A 1 110 ? 15.411 29.657 6.377 1.00 6.90 ? 110 PHE A CB 1 ATOM 848 C CG . PHE A 1 110 ? 15.369 31.146 6.661 1.00 6.93 ? 110 PHE A CG 1 ATOM 849 C CD1 . PHE A 1 110 ? 14.835 32.059 5.749 1.00 8.03 ? 110 PHE A CD1 1 ATOM 850 C CD2 . PHE A 1 110 ? 15.854 31.631 7.859 1.00 7.75 ? 110 PHE A CD2 1 ATOM 851 C CE1 . PHE A 1 110 ? 14.814 33.417 6.013 1.00 8.75 ? 110 PHE A CE1 1 ATOM 852 C CE2 . PHE A 1 110 ? 15.802 33.007 8.154 1.00 7.53 ? 110 PHE A CE2 1 ATOM 853 C CZ . PHE A 1 110 ? 15.286 33.890 7.227 1.00 8.95 ? 110 PHE A CZ 1 ATOM 854 N N . VAL A 1 111 ? 14.034 26.590 6.535 1.00 6.62 ? 111 VAL A N 1 ATOM 855 C CA . VAL A 1 111 ? 14.292 25.164 6.231 1.00 6.76 ? 111 VAL A CA 1 ATOM 856 C C . VAL A 1 111 ? 13.336 24.324 7.108 1.00 7.42 ? 111 VAL A C 1 ATOM 857 O O . VAL A 1 111 ? 12.900 24.782 8.166 1.00 7.54 ? 111 VAL A O 1 ATOM 858 C CB . VAL A 1 111 ? 15.768 24.753 6.521 1.00 6.99 ? 111 VAL A CB 1 ATOM 859 C CG1 . VAL A 1 111 ? 16.118 24.788 8.017 1.00 7.28 ? 111 VAL A CG1 1 ATOM 860 C CG2 . VAL A 1 111 ? 16.057 23.388 5.913 1.00 9.04 ? 111 VAL A CG2 1 ATOM 861 N N . ASN A 1 112 ? 12.988 23.119 6.640 1.00 6.33 ? 112 ASN A N 1 ATOM 862 C CA . ASN A 1 112 ? 12.204 22.192 7.451 1.00 7.11 ? 112 ASN A CA 1 ATOM 863 C C . ASN A 1 112 ? 13.109 21.167 8.177 1.00 6.81 ? 112 ASN A C 1 ATOM 864 O O . ASN A 1 112 ? 14.017 20.589 7.513 1.00 7.25 ? 112 ASN A O 1 ATOM 865 C CB . ASN A 1 112 ? 11.279 21.393 6.509 1.00 7.09 ? 112 ASN A CB 1 ATOM 866 C CG . ASN A 1 112 ? 10.052 20.852 7.219 1.00 6.62 ? 112 ASN A CG 1 ATOM 867 O OD1 . ASN A 1 112 ? 9.955 20.927 8.455 1.00 6.90 ? 112 ASN A OD1 1 ATOM 868 N ND2 . ASN A 1 112 ? 9.095 20.355 6.443 1.00 8.12 ? 112 ASN A ND2 1 ATOM 869 N N . ASN A 1 113 ? 12.831 20.862 9.455 1.00 6.83 ? 113 ASN A N 1 ATOM 870 C CA . ASN A 1 113 ? 13.493 19.710 10.060 1.00 7.21 ? 113 ASN A CA 1 ATOM 871 C C . ASN A 1 113 ? 13.091 18.431 9.301 1.00 7.37 ? 113 ASN A C 1 ATOM 872 O O . ASN A 1 113 ? 13.908 17.522 9.046 1.00 9.04 ? 113 ASN A O 1 ATOM 873 C CB . ASN A 1 113 ? 13.093 19.581 11.534 1.00 7.93 ? 113 ASN A CB 1 ATOM 874 C CG . ASN A 1 113 ? 13.937 18.529 12.244 1.00 7.12 ? 113 ASN A CG 1 ATOM 875 O OD1 . ASN A 1 113 ? 15.146 18.721 12.508 1.00 8.54 ? 113 ASN A OD1 1 ATOM 876 N ND2 . ASN A 1 113 ? 13.322 17.374 12.592 1.00 8.12 ? 113 ASN A ND2 1 ATOM 877 N N . TRP A 1 114 ? 11.843 18.362 8.896 1.00 7.08 ? 114 TRP A N 1 ATOM 878 C CA . TRP A 1 114 ? 11.242 17.178 8.269 1.00 5.97 ? 114 TRP A CA 1 ATOM 879 C C . TRP A 1 114 ? 11.360 17.160 6.764 1.00 8.80 ? 114 TRP A C 1 ATOM 880 O O . TRP A 1 114 ? 11.723 18.164 6.164 1.00 8.68 ? 114 TRP A O 1 ATOM 881 C CB . TRP A 1 114 ? 9.741 17.048 8.674 1.00 7.40 ? 114 TRP A CB 1 ATOM 882 C CG . TRP A 1 114 ? 9.630 17.171 10.169 1.00 8.75 ? 114 TRP A CG 1 ATOM 883 C CD1 . TRP A 1 114 ? 9.060 18.228 10.839 1.00 9.64 ? 114 TRP A CD1 1 ATOM 884 C CD2 . TRP A 1 114 ? 10.118 16.277 11.177 1.00 9.40 ? 114 TRP A CD2 1 ATOM 885 N NE1 . TRP A 1 114 ? 9.143 18.038 12.220 1.00 10.14 ? 114 TRP A NE1 1 ATOM 886 C CE2 . TRP A 1 114 ? 9.789 16.843 12.437 1.00 9.27 ? 114 TRP A CE2 1 ATOM 887 C CE3 . TRP A 1 114 ? 10.787 15.045 11.131 1.00 10.89 ? 114 TRP A CE3 1 ATOM 888 C CZ2 . TRP A 1 114 ? 10.109 16.201 13.640 1.00 10.00 ? 114 TRP A CZ2 1 ATOM 889 C CZ3 . TRP A 1 114 ? 11.135 14.427 12.335 1.00 11.50 ? 114 TRP A CZ3 1 ATOM 890 C CH2 . TRP A 1 114 ? 10.755 15.002 13.563 1.00 12.48 ? 114 TRP A CH2 1 ATOM 891 N N . SER A 1 115 ? 11.107 15.968 6.165 1.00 9.83 ? 115 SER A N 1 ATOM 892 C CA . SER A 1 115 ? 11.367 15.850 4.736 1.00 9.17 ? 115 SER A CA 1 ATOM 893 C C . SER A 1 115 ? 10.288 16.403 3.808 1.00 9.92 ? 115 SER A C 1 ATOM 894 O O . SER A 1 115 ? 10.495 16.437 2.608 1.00 10.25 ? 115 SER A O 1 ATOM 895 C CB . SER A 1 115 ? 11.704 14.385 4.372 1.00 10.20 ? 115 SER A CB 1 ATOM 896 O OG A SER A 1 115 ? 12.862 14.085 5.151 0.50 7.97 ? 115 SER A OG 1 ATOM 897 O OG B SER A 1 115 ? 10.585 13.593 4.628 0.50 12.90 ? 115 SER A OG 1 ATOM 898 N N . ASP A 1 116 ? 9.231 17.009 4.373 1.00 8.23 ? 116 ASP A N 1 ATOM 899 C CA . ASP A 1 116 ? 8.240 17.632 3.539 1.00 9.25 ? 116 ASP A CA 1 ATOM 900 C C . ASP A 1 116 ? 8.796 18.889 2.890 1.00 8.25 ? 116 ASP A C 1 ATOM 901 O O . ASP A 1 116 ? 9.326 19.757 3.588 1.00 9.59 ? 116 ASP A O 1 ATOM 902 C CB . ASP A 1 116 ? 6.980 17.972 4.346 1.00 9.77 ? 116 ASP A CB 1 ATOM 903 C CG . ASP A 1 116 ? 6.556 16.767 5.189 1.00 10.36 ? 116 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 116 ? 6.117 15.749 4.620 1.00 13.86 ? 116 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 116 ? 6.653 16.806 6.427 1.00 11.78 ? 116 ASP A OD2 1 ATOM 906 N N . TYR A 1 117 ? 8.684 18.986 1.566 1.00 7.90 ? 117 TYR A N 1 ATOM 907 C CA . TYR A 1 117 ? 9.255 20.124 0.820 1.00 7.66 ? 117 TYR A CA 1 ATOM 908 C C . TYR A 1 117 ? 10.774 20.132 1.035 1.00 8.52 ? 117 TYR A C 1 ATOM 909 O O . TYR A 1 117 ? 11.430 21.176 1.091 1.00 9.13 ? 117 TYR A O 1 ATOM 910 C CB . TYR A 1 117 ? 8.564 21.470 1.126 1.00 8.02 ? 117 TYR A CB 1 ATOM 911 C CG . TYR A 1 117 ? 7.083 21.353 0.832 1.00 7.64 ? 117 TYR A CG 1 ATOM 912 C CD1 . TYR A 1 117 ? 6.620 21.423 -0.470 1.00 6.81 ? 117 TYR A CD1 1 ATOM 913 C CD2 . TYR A 1 117 ? 6.177 21.088 1.858 1.00 7.14 ? 117 TYR A CD2 1 ATOM 914 C CE1 . TYR A 1 117 ? 5.266 21.257 -0.759 1.00 7.59 ? 117 TYR A CE1 1 ATOM 915 C CE2 . TYR A 1 117 ? 4.809 20.937 1.554 1.00 7.90 ? 117 TYR A CE2 1 ATOM 916 C CZ . TYR A 1 117 ? 4.385 21.021 0.243 1.00 8.11 ? 117 TYR A CZ 1 ATOM 917 O OH . TYR A 1 117 ? 3.013 20.886 0.040 1.00 9.32 ? 117 TYR A OH 1 ATOM 918 N N . GLY A 1 118 ? 11.349 18.917 1.085 1.00 7.20 ? 118 GLY A N 1 ATOM 919 C CA . GLY A 1 118 ? 12.796 18.691 1.060 1.00 8.03 ? 118 GLY A CA 1 ATOM 920 C C . GLY A 1 118 ? 13.427 18.538 2.420 1.00 8.66 ? 118 GLY A C 1 ATOM 921 O O . GLY A 1 118 ? 13.877 17.455 2.845 1.00 8.12 ? 118 GLY A O 1 ATOM 922 N N . GLY A 1 119 ? 13.542 19.637 3.173 1.00 8.27 ? 119 GLY A N 1 ATOM 923 C CA . GLY A 1 119 ? 14.036 19.684 4.549 1.00 8.15 ? 119 GLY A CA 1 ATOM 924 C C . GLY A 1 119 ? 15.539 19.389 4.634 1.00 8.57 ? 119 GLY A C 1 ATOM 925 O O . GLY A 1 119 ? 16.236 19.336 3.615 1.00 7.93 ? 119 GLY A O 1 ATOM 926 N N . ILE A 1 120 ? 15.952 19.155 5.892 1.00 6.89 ? 120 ILE A N 1 ATOM 927 C CA . ILE A 1 120 ? 17.314 18.755 6.182 1.00 8.11 ? 120 ILE A CA 1 ATOM 928 C C . ILE A 1 120 ? 17.682 17.549 5.290 1.00 9.17 ? 120 ILE A C 1 ATOM 929 O O . ILE A 1 120 ? 18.831 17.466 4.842 1.00 9.00 ? 120 ILE A O 1 ATOM 930 C CB . ILE A 1 120 ? 17.496 18.456 7.685 1.00 8.46 ? 120 ILE A CB 1 ATOM 931 C CG1 . ILE A 1 120 ? 17.549 19.799 8.451 1.00 9.17 ? 120 ILE A CG1 1 ATOM 932 C CG2 . ILE A 1 120 ? 18.721 17.571 7.957 1.00 9.07 ? 120 ILE A CG2 1 ATOM 933 C CD1 . ILE A 1 120 ? 17.653 19.725 9.973 1.00 7.97 ? 120 ILE A CD1 1 ATOM 934 N N . ASN A 1 121 ? 16.785 16.581 5.106 1.00 9.26 ? 121 ASN A N 1 ATOM 935 C CA . ASN A 1 121 ? 17.103 15.419 4.249 1.00 9.23 ? 121 ASN A CA 1 ATOM 936 C C . ASN A 1 121 ? 17.504 15.804 2.840 1.00 9.03 ? 121 ASN A C 1 ATOM 937 O O . ASN A 1 121 ? 18.373 15.119 2.260 1.00 8.75 ? 121 ASN A O 1 ATOM 938 C CB . ASN A 1 121 ? 15.871 14.490 4.191 1.00 11.09 ? 121 ASN A CB 1 ATOM 939 C CG . ASN A 1 121 ? 16.126 13.220 3.405 1.00 10.43 ? 121 ASN A CG 1 ATOM 940 O OD1 . ASN A 1 121 ? 15.550 12.977 2.309 1.00 14.55 ? 121 ASN A OD1 1 ATOM 941 N ND2 . ASN A 1 121 ? 16.959 12.382 4.002 1.00 10.65 ? 121 ASN A ND2 1 ATOM 942 N N . ALA A 1 122 ? 16.918 16.853 2.235 1.00 9.75 ? 122 ALA A N 1 ATOM 943 C CA . ALA A 1 122 ? 17.368 17.248 0.889 1.00 8.67 ? 122 ALA A CA 1 ATOM 944 C C . ALA A 1 122 ? 18.805 17.784 1.020 1.00 9.70 ? 122 ALA A C 1 ATOM 945 O O . ALA A 1 122 ? 19.562 17.512 0.078 1.00 9.35 ? 122 ALA A O 1 ATOM 946 C CB . ALA A 1 122 ? 16.431 18.336 0.320 1.00 9.04 ? 122 ALA A CB 1 ATOM 947 N N . TYR A 1 123 ? 19.203 18.442 2.086 1.00 9.97 ? 123 TYR A N 1 ATOM 948 C CA . TYR A 1 123 ? 20.613 18.836 2.244 1.00 8.74 ? 123 TYR A CA 1 ATOM 949 C C . TYR A 1 123 ? 21.493 17.611 2.465 1.00 10.74 ? 123 TYR A C 1 ATOM 950 O O . TYR A 1 123 ? 22.616 17.583 1.874 1.00 10.37 ? 123 TYR A O 1 ATOM 951 C CB . TYR A 1 123 ? 20.750 19.814 3.430 1.00 8.41 ? 123 TYR A CB 1 ATOM 952 C CG . TYR A 1 123 ? 20.244 21.220 3.236 1.00 7.97 ? 123 TYR A CG 1 ATOM 953 C CD1 . TYR A 1 123 ? 18.888 21.529 3.352 1.00 8.59 ? 123 TYR A CD1 1 ATOM 954 C CD2 . TYR A 1 123 ? 21.143 22.254 2.908 1.00 8.12 ? 123 TYR A CD2 1 ATOM 955 C CE1 . TYR A 1 123 ? 18.433 22.841 3.191 1.00 8.66 ? 123 TYR A CE1 1 ATOM 956 C CE2 . TYR A 1 123 ? 20.697 23.562 2.747 1.00 7.22 ? 123 TYR A CE2 1 ATOM 957 C CZ . TYR A 1 123 ? 19.344 23.848 2.889 1.00 7.51 ? 123 TYR A CZ 1 ATOM 958 O OH . TYR A 1 123 ? 18.931 25.141 2.737 1.00 8.70 ? 123 TYR A OH 1 ATOM 959 N N . VAL A 1 124 ? 21.051 16.628 3.269 1.00 9.36 ? 124 VAL A N 1 ATOM 960 C CA . VAL A 1 124 ? 21.866 15.426 3.462 1.00 11.00 ? 124 VAL A CA 1 ATOM 961 C C . VAL A 1 124 ? 22.002 14.691 2.120 1.00 10.81 ? 124 VAL A C 1 ATOM 962 O O . VAL A 1 124 ? 23.104 14.184 1.812 1.00 11.64 ? 124 VAL A O 1 ATOM 963 C CB . VAL A 1 124 ? 21.113 14.511 4.476 1.00 10.60 ? 124 VAL A CB 1 ATOM 964 C CG1 . VAL A 1 124 ? 21.768 13.136 4.450 1.00 11.99 ? 124 VAL A CG1 1 ATOM 965 C CG2 . VAL A 1 124 ? 21.095 15.107 5.882 1.00 11.84 ? 124 VAL A CG2 1 ATOM 966 N N . ASN A 1 125 ? 21.006 14.632 1.241 1.00 11.50 ? 125 ASN A N 1 ATOM 967 C CA . ASN A 1 125 ? 21.172 13.981 -0.070 1.00 11.50 ? 125 ASN A CA 1 ATOM 968 C C . ASN A 1 125 ? 22.276 14.652 -0.894 1.00 13.16 ? 125 ASN A C 1 ATOM 969 O O . ASN A 1 125 ? 23.029 13.942 -1.585 1.00 14.98 ? 125 ASN A O 1 ATOM 970 C CB . ASN A 1 125 ? 19.846 14.040 -0.867 1.00 12.82 ? 125 ASN A CB 1 ATOM 971 C CG . ASN A 1 125 ? 18.751 13.111 -0.390 1.00 15.17 ? 125 ASN A CG 1 ATOM 972 O OD1 . ASN A 1 125 ? 19.070 12.099 0.310 1.00 18.11 ? 125 ASN A OD1 1 ATOM 973 N ND2 . ASN A 1 125 ? 17.531 13.384 -0.806 1.00 12.59 ? 125 ASN A ND2 1 ATOM 974 N N . ALA A 1 126 ? 22.371 15.991 -0.802 1.00 11.42 ? 126 ALA A N 1 ATOM 975 C CA . ALA A 1 126 ? 23.367 16.720 -1.603 1.00 11.14 ? 126 ALA A CA 1 ATOM 976 C C . ALA A 1 126 ? 24.759 16.747 -0.956 1.00 13.51 ? 126 ALA A C 1 ATOM 977 O O . ALA A 1 126 ? 25.762 16.704 -1.643 1.00 14.88 ? 126 ALA A O 1 ATOM 978 C CB . ALA A 1 126 ? 22.890 18.168 -1.824 1.00 12.06 ? 126 ALA A CB 1 ATOM 979 N N . PHE A 1 127 ? 24.809 16.899 0.359 1.00 11.96 ? 127 PHE A N 1 ATOM 980 C CA . PHE A 1 127 ? 26.044 17.238 1.049 1.00 11.56 ? 127 PHE A CA 1 ATOM 981 C C . PHE A 1 127 ? 26.539 16.188 2.027 1.00 11.99 ? 127 PHE A C 1 ATOM 982 O O . PHE A 1 127 ? 27.561 16.423 2.685 1.00 14.45 ? 127 PHE A O 1 ATOM 983 C CB . PHE A 1 127 ? 25.850 18.603 1.769 1.00 11.54 ? 127 PHE A CB 1 ATOM 984 C CG . PHE A 1 127 ? 25.414 19.698 0.817 1.00 11.04 ? 127 PHE A CG 1 ATOM 985 C CD1 . PHE A 1 127 ? 26.139 20.084 -0.282 1.00 12.05 ? 127 PHE A CD1 1 ATOM 986 C CD2 . PHE A 1 127 ? 24.208 20.396 1.050 1.00 12.30 ? 127 PHE A CD2 1 ATOM 987 C CE1 . PHE A 1 127 ? 25.719 21.080 -1.125 1.00 12.78 ? 127 PHE A CE1 1 ATOM 988 C CE2 . PHE A 1 127 ? 23.766 21.399 0.209 1.00 12.05 ? 127 PHE A CE2 1 ATOM 989 C CZ . PHE A 1 127 ? 24.528 21.733 -0.902 1.00 12.99 ? 127 PHE A CZ 1 ATOM 990 N N . GLY A 1 128 ? 25.895 15.034 2.074 1.00 12.34 ? 128 GLY A N 1 ATOM 991 C CA . GLY A 1 128 ? 26.359 13.943 2.907 1.00 12.75 ? 128 GLY A CA 1 ATOM 992 C C . GLY A 1 128 ? 26.116 14.132 4.382 1.00 13.23 ? 128 GLY A C 1 ATOM 993 O O . GLY A 1 128 ? 25.266 14.944 4.801 1.00 13.96 ? 128 GLY A O 1 ATOM 994 N N . GLY A 1 129 ? 26.731 13.262 5.200 1.00 15.22 ? 129 GLY A N 1 ATOM 995 C CA . GLY A 1 129 ? 26.440 13.265 6.634 1.00 14.58 ? 129 GLY A CA 1 ATOM 996 C C . GLY A 1 129 ? 25.053 12.651 6.865 1.00 13.28 ? 129 GLY A C 1 ATOM 997 O O . GLY A 1 129 ? 24.526 11.820 6.110 1.00 15.42 ? 129 GLY A O 1 ATOM 998 N N . ASN A 1 130 ? 24.454 13.131 7.951 1.00 13.41 ? 130 ASN A N 1 ATOM 999 C CA . ASN A 1 130 ? 23.095 12.710 8.296 1.00 12.59 ? 130 ASN A CA 1 ATOM 1000 C C . ASN A 1 130 ? 22.367 13.849 8.978 1.00 10.95 ? 130 ASN A C 1 ATOM 1001 O O . ASN A 1 130 ? 22.867 14.985 9.021 1.00 10.42 ? 130 ASN A O 1 ATOM 1002 C CB . ASN A 1 130 ? 23.094 11.392 9.095 1.00 13.57 ? 130 ASN A CB 1 ATOM 1003 C CG . ASN A 1 130 ? 23.749 11.593 10.401 1.00 14.97 ? 130 ASN A CG 1 ATOM 1004 O OD1 . ASN A 1 130 ? 23.909 12.598 11.064 1.00 13.06 ? 130 ASN A OD1 1 ATOM 1005 N ND2 . ASN A 1 130 ? 24.403 10.468 10.906 1.00 17.33 ? 130 ASN A ND2 1 ATOM 1006 N N . ALA A 1 131 ? 21.133 13.567 9.448 1.00 11.12 ? 131 ALA A N 1 ATOM 1007 C CA . ALA A 1 131 ? 20.293 14.635 10.007 1.00 10.63 ? 131 ALA A CA 1 ATOM 1008 C C . ALA A 1 131 ? 20.809 15.302 11.254 1.00 10.48 ? 131 ALA A C 1 ATOM 1009 O O . ALA A 1 131 ? 20.361 16.456 11.519 1.00 11.02 ? 131 ALA A O 1 ATOM 1010 C CB . ALA A 1 131 ? 18.892 14.016 10.246 1.00 13.14 ? 131 ALA A CB 1 ATOM 1011 N N . THR A 1 132 ? 21.746 14.699 11.989 1.00 10.99 ? 132 THR A N 1 ATOM 1012 C CA . THR A 1 132 ? 22.318 15.365 13.182 1.00 10.67 ? 132 THR A CA 1 ATOM 1013 C C . THR A 1 132 ? 23.654 16.022 12.865 1.00 11.03 ? 132 THR A C 1 ATOM 1014 O O . THR A 1 132 ? 23.963 17.069 13.468 1.00 12.97 ? 132 THR A O 1 ATOM 1015 C CB . THR A 1 132 ? 22.393 14.382 14.359 1.00 11.82 ? 132 THR A CB 1 ATOM 1016 O OG1 . THR A 1 132 ? 23.221 13.258 13.978 1.00 13.99 ? 132 THR A OG1 1 ATOM 1017 C CG2 . THR A 1 132 ? 20.951 13.904 14.707 1.00 12.47 ? 132 THR A CG2 1 ATOM 1018 N N . THR A 1 133 ? 24.406 15.525 11.920 1.00 10.60 ? 133 THR A N 1 ATOM 1019 C CA . THR A 1 133 ? 25.642 16.199 11.541 1.00 11.00 ? 133 THR A CA 1 ATOM 1020 C C . THR A 1 133 ? 25.344 17.401 10.633 1.00 10.26 ? 133 THR A C 1 ATOM 1021 O O . THR A 1 133 ? 26.240 18.242 10.457 1.00 10.78 ? 133 THR A O 1 ATOM 1022 C CB . THR A 1 133 ? 26.654 15.312 10.790 1.00 11.99 ? 133 THR A CB 1 ATOM 1023 O OG1 . THR A 1 133 ? 26.127 14.954 9.522 1.00 13.43 ? 133 THR A OG1 1 ATOM 1024 C CG2 . THR A 1 133 ? 27.005 14.103 11.645 1.00 14.31 ? 133 THR A CG2 1 ATOM 1025 N N . TRP A 1 134 ? 24.100 17.576 10.165 1.00 9.88 ? 134 TRP A N 1 ATOM 1026 C CA . TRP A 1 134 ? 23.779 18.714 9.272 1.00 8.65 ? 134 TRP A CA 1 ATOM 1027 C C . TRP A 1 134 ? 24.164 20.070 9.846 1.00 8.82 ? 134 TRP A C 1 ATOM 1028 O O . TRP A 1 134 ? 24.661 20.981 9.139 1.00 9.56 ? 134 TRP A O 1 ATOM 1029 C CB . TRP A 1 134 ? 22.247 18.719 9.029 1.00 7.82 ? 134 TRP A CB 1 ATOM 1030 C CG . TRP A 1 134 ? 21.754 19.848 8.147 1.00 8.27 ? 134 TRP A CG 1 ATOM 1031 C CD1 . TRP A 1 134 ? 21.770 19.896 6.798 1.00 9.02 ? 134 TRP A CD1 1 ATOM 1032 C CD2 . TRP A 1 134 ? 21.147 21.092 8.604 1.00 7.20 ? 134 TRP A CD2 1 ATOM 1033 N NE1 . TRP A 1 134 ? 21.248 21.112 6.338 1.00 8.65 ? 134 TRP A NE1 1 ATOM 1034 C CE2 . TRP A 1 134 ? 20.838 21.817 7.430 1.00 8.64 ? 134 TRP A CE2 1 ATOM 1035 C CE3 . TRP A 1 134 ? 20.840 21.631 9.852 1.00 8.03 ? 134 TRP A CE3 1 ATOM 1036 C CZ2 . TRP A 1 134 ? 20.255 23.100 7.498 1.00 8.57 ? 134 TRP A CZ2 1 ATOM 1037 C CZ3 . TRP A 1 134 ? 20.245 22.894 9.922 1.00 7.44 ? 134 TRP A CZ3 1 ATOM 1038 C CH2 . TRP A 1 134 ? 19.922 23.592 8.746 1.00 7.10 ? 134 TRP A CH2 1 ATOM 1039 N N . TYR A 1 135 ? 23.926 20.207 11.165 1.00 8.86 ? 135 TYR A N 1 ATOM 1040 C CA . TYR A 1 135 ? 24.193 21.478 11.856 1.00 9.26 ? 135 TYR A CA 1 ATOM 1041 C C . TYR A 1 135 ? 25.621 21.965 11.740 1.00 9.79 ? 135 TYR A C 1 ATOM 1042 O O . TYR A 1 135 ? 25.854 23.197 11.853 1.00 10.52 ? 135 TYR A O 1 ATOM 1043 C CB . TYR A 1 135 ? 23.808 21.423 13.363 1.00 8.40 ? 135 TYR A CB 1 ATOM 1044 C CG . TYR A 1 135 ? 22.279 21.246 13.476 1.00 7.18 ? 135 TYR A CG 1 ATOM 1045 C CD1 . TYR A 1 135 ? 21.426 22.322 13.384 1.00 6.99 ? 135 TYR A CD1 1 ATOM 1046 C CD2 . TYR A 1 135 ? 21.735 19.980 13.691 1.00 8.26 ? 135 TYR A CD2 1 ATOM 1047 C CE1 . TYR A 1 135 ? 20.053 22.155 13.455 1.00 7.44 ? 135 TYR A CE1 1 ATOM 1048 C CE2 . TYR A 1 135 ? 20.360 19.763 13.740 1.00 8.14 ? 135 TYR A CE2 1 ATOM 1049 C CZ . TYR A 1 135 ? 19.520 20.886 13.646 1.00 7.76 ? 135 TYR A CZ 1 ATOM 1050 O OH . TYR A 1 135 ? 18.136 20.755 13.694 1.00 8.85 ? 135 TYR A OH 1 ATOM 1051 N N . THR A 1 136 ? 26.572 21.035 11.559 1.00 10.52 ? 136 THR A N 1 ATOM 1052 C CA . THR A 1 136 ? 27.985 21.487 11.464 1.00 11.12 ? 136 THR A CA 1 ATOM 1053 C C . THR A 1 136 ? 28.587 21.002 10.166 1.00 11.25 ? 136 THR A C 1 ATOM 1054 O O . THR A 1 136 ? 29.821 20.963 10.032 1.00 13.37 ? 136 THR A O 1 ATOM 1055 C CB . THR A 1 136 ? 28.766 20.904 12.671 1.00 11.11 ? 136 THR A CB 1 ATOM 1056 O OG1 . THR A 1 136 ? 28.603 19.483 12.708 1.00 12.98 ? 136 THR A OG1 1 ATOM 1057 C CG2 . THR A 1 136 ? 28.351 21.498 14.018 1.00 13.20 ? 136 THR A CG2 1 ATOM 1058 N N . ASN A 1 137 ? 27.766 20.646 9.180 1.00 9.51 ? 137 ASN A N 1 ATOM 1059 C CA . ASN A 1 137 ? 28.236 20.227 7.842 1.00 9.72 ? 137 ASN A CA 1 ATOM 1060 C C . ASN A 1 137 ? 28.525 21.515 7.078 1.00 9.87 ? 137 ASN A C 1 ATOM 1061 O O . ASN A 1 137 ? 27.633 22.336 6.800 1.00 10.90 ? 137 ASN A O 1 ATOM 1062 C CB . ASN A 1 137 ? 27.139 19.352 7.217 1.00 9.20 ? 137 ASN A CB 1 ATOM 1063 C CG . ASN A 1 137 ? 27.414 18.974 5.768 1.00 8.98 ? 137 ASN A CG 1 ATOM 1064 O OD1 . ASN A 1 137 ? 27.942 19.693 4.927 1.00 12.51 ? 137 ASN A OD1 1 ATOM 1065 N ND2 . ASN A 1 137 ? 27.082 17.710 5.516 1.00 13.53 ? 137 ASN A ND2 1 ATOM 1066 N N . THR A 1 138 ? 29.825 21.764 6.788 1.00 11.17 ? 138 THR A N 1 ATOM 1067 C CA . THR A 1 138 ? 30.163 23.081 6.233 1.00 10.87 ? 138 THR A CA 1 ATOM 1068 C C . THR A 1 138 ? 29.489 23.338 4.900 1.00 10.84 ? 138 THR A C 1 ATOM 1069 O O . THR A 1 138 ? 28.968 24.442 4.670 1.00 9.82 ? 138 THR A O 1 ATOM 1070 C CB . THR A 1 138 ? 31.708 23.225 6.091 1.00 12.79 ? 138 THR A CB 1 ATOM 1071 O OG1 . THR A 1 138 ? 32.316 22.966 7.400 1.00 15.07 ? 138 THR A OG1 1 ATOM 1072 C CG2 . THR A 1 138 ? 32.071 24.591 5.547 1.00 12.56 ? 138 THR A CG2 1 ATOM 1073 N N . ALA A 1 139 ? 29.472 22.345 3.995 1.00 10.63 ? 139 ALA A N 1 ATOM 1074 C CA . ALA A 1 139 ? 28.836 22.586 2.699 1.00 10.21 ? 139 ALA A CA 1 ATOM 1075 C C . ALA A 1 139 ? 27.336 22.809 2.827 1.00 8.91 ? 139 ALA A C 1 ATOM 1076 O O . ALA A 1 139 ? 26.764 23.686 2.135 1.00 10.30 ? 139 ALA A O 1 ATOM 1077 C CB . ALA A 1 139 ? 29.090 21.412 1.754 1.00 12.53 ? 139 ALA A CB 1 ATOM 1078 N N . ALA A 1 140 ? 26.702 22.043 3.713 1.00 8.69 ? 140 ALA A N 1 ATOM 1079 C CA . ALA A 1 140 ? 25.251 22.239 3.846 1.00 9.00 ? 140 ALA A CA 1 ATOM 1080 C C . ALA A 1 140 ? 24.955 23.583 4.491 1.00 8.11 ? 140 ALA A C 1 ATOM 1081 O O . ALA A 1 140 ? 24.038 24.278 4.041 1.00 8.88 ? 140 ALA A O 1 ATOM 1082 C CB . ALA A 1 140 ? 24.699 21.140 4.774 1.00 10.27 ? 140 ALA A CB 1 ATOM 1083 N N . GLN A 1 141 ? 25.716 23.997 5.521 1.00 8.15 ? 141 GLN A N 1 ATOM 1084 C CA . GLN A 1 141 ? 25.477 25.281 6.175 1.00 7.95 ? 141 GLN A CA 1 ATOM 1085 C C . GLN A 1 141 ? 25.803 26.457 5.252 1.00 8.86 ? 141 GLN A C 1 ATOM 1086 O O . GLN A 1 141 ? 25.154 27.516 5.329 1.00 9.47 ? 141 GLN A O 1 ATOM 1087 C CB . GLN A 1 141 ? 26.264 25.384 7.499 1.00 7.53 ? 141 GLN A CB 1 ATOM 1088 C CG . GLN A 1 141 ? 25.737 24.395 8.571 1.00 8.27 ? 141 GLN A CG 1 ATOM 1089 C CD . GLN A 1 141 ? 24.256 24.653 8.864 1.00 9.20 ? 141 GLN A CD 1 ATOM 1090 O OE1 . GLN A 1 141 ? 23.848 25.810 9.077 1.00 9.23 ? 141 GLN A OE1 1 ATOM 1091 N NE2 . GLN A 1 141 ? 23.469 23.606 8.776 1.00 8.98 ? 141 GLN A NE2 1 ATOM 1092 N N . THR A 1 142 ? 26.821 26.297 4.395 1.00 9.02 ? 142 THR A N 1 ATOM 1093 C CA . THR A 1 142 ? 27.166 27.382 3.480 1.00 9.87 ? 142 THR A CA 1 ATOM 1094 C C . THR A 1 142 ? 26.013 27.620 2.514 1.00 8.92 ? 142 THR A C 1 ATOM 1095 O O . THR A 1 142 ? 25.599 28.767 2.240 1.00 8.98 ? 142 THR A O 1 ATOM 1096 C CB . THR A 1 142 ? 28.473 27.054 2.734 1.00 10.22 ? 142 THR A CB 1 ATOM 1097 O OG1 . THR A 1 142 ? 29.551 26.948 3.706 1.00 12.96 ? 142 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 142 ? 28.784 28.119 1.687 1.00 12.49 ? 142 THR A CG2 1 ATOM 1099 N N . GLN A 1 143 ? 25.404 26.545 1.974 1.00 9.54 ? 143 GLN A N 1 ATOM 1100 C CA . GLN A 1 143 ? 24.239 26.683 1.086 1.00 8.91 ? 143 GLN A CA 1 ATOM 1101 C C . GLN A 1 143 ? 23.010 27.181 1.817 1.00 8.95 ? 143 GLN A C 1 ATOM 1102 O O . GLN A 1 143 ? 22.306 28.083 1.316 1.00 7.89 ? 143 GLN A O 1 ATOM 1103 C CB . GLN A 1 143 ? 23.966 25.392 0.309 1.00 7.87 ? 143 GLN A CB 1 ATOM 1104 C CG . GLN A 1 143 ? 22.896 25.589 -0.763 1.00 9.63 ? 143 GLN A CG 1 ATOM 1105 C CD . GLN A 1 143 ? 23.281 26.601 -1.834 1.00 9.83 ? 143 GLN A CD 1 ATOM 1106 O OE1 . GLN A 1 143 ? 24.449 26.752 -2.216 1.00 12.07 ? 143 GLN A OE1 1 ATOM 1107 N NE2 . GLN A 1 143 ? 22.293 27.317 -2.419 1.00 10.37 ? 143 GLN A NE2 1 ATOM 1108 N N . TYR A 1 144 ? 22.787 26.668 3.016 1.00 7.36 ? 144 TYR A N 1 ATOM 1109 C CA . TYR A 1 144 ? 21.655 27.180 3.831 1.00 7.91 ? 144 TYR A CA 1 ATOM 1110 C C . TYR A 1 144 ? 21.782 28.696 4.022 1.00 7.65 ? 144 TYR A C 1 ATOM 1111 O O . TYR A 1 144 ? 20.771 29.444 3.907 1.00 8.51 ? 144 TYR A O 1 ATOM 1112 C CB . TYR A 1 144 ? 21.607 26.424 5.150 1.00 7.06 ? 144 TYR A CB 1 ATOM 1113 C CG . TYR A 1 144 ? 20.697 27.017 6.193 1.00 6.55 ? 144 TYR A CG 1 ATOM 1114 C CD1 . TYR A 1 144 ? 19.303 26.874 6.126 1.00 6.55 ? 144 TYR A CD1 1 ATOM 1115 C CD2 . TYR A 1 144 ? 21.213 27.671 7.321 1.00 7.33 ? 144 TYR A CD2 1 ATOM 1116 C CE1 . TYR A 1 144 ? 18.466 27.388 7.123 1.00 7.77 ? 144 TYR A CE1 1 ATOM 1117 C CE2 . TYR A 1 144 ? 20.399 28.203 8.297 1.00 9.41 ? 144 TYR A CE2 1 ATOM 1118 C CZ . TYR A 1 144 ? 19.027 28.065 8.182 1.00 7.92 ? 144 TYR A CZ 1 ATOM 1119 O OH . TYR A 1 144 ? 18.298 28.607 9.231 1.00 8.50 ? 144 TYR A OH 1 ATOM 1120 N N . ARG A 1 145 ? 22.981 29.185 4.394 1.00 8.06 ? 145 ARG A N 1 ATOM 1121 C CA . ARG A 1 145 ? 23.114 30.631 4.609 1.00 7.76 ? 145 ARG A CA 1 ATOM 1122 C C . ARG A 1 145 ? 23.007 31.385 3.283 1.00 8.35 ? 145 ARG A C 1 ATOM 1123 O O . ARG A 1 145 ? 22.481 32.509 3.311 1.00 8.66 ? 145 ARG A O 1 ATOM 1124 C CB . ARG A 1 145 ? 24.480 30.943 5.259 1.00 9.22 ? 145 ARG A CB 1 ATOM 1125 C CG . ARG A 1 145 ? 24.551 30.501 6.726 1.00 10.76 ? 145 ARG A CG 1 ATOM 1126 C CD . ARG A 1 145 ? 25.756 31.111 7.481 1.00 12.99 ? 145 ARG A CD 1 ATOM 1127 N NE . ARG A 1 145 ? 25.835 30.542 8.840 1.00 13.86 ? 145 ARG A NE 1 ATOM 1128 C CZ . ARG A 1 145 ? 26.390 31.186 9.861 1.00 14.46 ? 145 ARG A CZ 1 ATOM 1129 N NH1 . ARG A 1 145 ? 26.950 32.405 9.621 1.00 14.90 ? 145 ARG A NH1 1 ATOM 1130 N NH2 . ARG A 1 145 ? 26.362 30.627 11.079 1.00 15.86 ? 145 ARG A NH2 1 ATOM 1131 N N . LYS A 1 146 ? 23.379 30.783 2.158 1.00 8.44 ? 146 LYS A N 1 ATOM 1132 C CA . LYS A 1 146 ? 23.144 31.467 0.872 1.00 9.67 ? 146 LYS A CA 1 ATOM 1133 C C . LYS A 1 146 ? 21.643 31.626 0.617 1.00 9.49 ? 146 LYS A C 1 ATOM 1134 O O . LYS A 1 146 ? 21.180 32.660 0.098 1.00 9.91 ? 146 LYS A O 1 ATOM 1135 C CB . LYS A 1 146 ? 23.817 30.708 -0.271 1.00 10.99 ? 146 LYS A CB 1 ATOM 1136 C CG A LYS A 1 146 ? 25.308 30.908 -0.393 0.50 11.60 ? 146 LYS A CG 1 ATOM 1137 C CG B LYS A 1 146 ? 23.773 31.392 -1.615 0.50 10.98 ? 146 LYS A CG 1 ATOM 1138 C CD A LYS A 1 146 ? 25.718 30.355 -1.774 0.50 13.59 ? 146 LYS A CD 1 ATOM 1139 C CD B LYS A 1 146 ? 24.591 30.637 -2.674 0.50 13.79 ? 146 LYS A CD 1 ATOM 1140 C CE A LYS A 1 146 ? 25.294 31.251 -2.909 0.50 16.17 ? 146 LYS A CE 1 ATOM 1141 C CE B LYS A 1 146 ? 24.406 31.339 -4.027 0.50 15.80 ? 146 LYS A CE 1 ATOM 1142 N NZ A LYS A 1 146 ? 25.804 30.831 -4.242 0.50 18.98 ? 146 LYS A NZ 1 ATOM 1143 N NZ B LYS A 1 146 ? 25.142 30.649 -5.131 0.50 18.23 ? 146 LYS A NZ 1 ATOM 1144 N N . TYR A 1 147 ? 20.894 30.578 0.948 1.00 8.66 ? 147 TYR A N 1 ATOM 1145 C CA . TYR A 1 147 ? 19.424 30.631 0.765 1.00 9.75 ? 147 TYR A CA 1 ATOM 1146 C C . TYR A 1 147 ? 18.813 31.611 1.728 1.00 9.04 ? 147 TYR A C 1 ATOM 1147 O O . TYR A 1 147 ? 17.967 32.420 1.318 1.00 9.01 ? 147 TYR A O 1 ATOM 1148 C CB . TYR A 1 147 ? 18.855 29.176 0.987 1.00 9.12 ? 147 TYR A CB 1 ATOM 1149 C CG . TYR A 1 147 ? 17.360 29.236 0.667 1.00 7.87 ? 147 TYR A CG 1 ATOM 1150 C CD1 . TYR A 1 147 ? 16.923 29.452 -0.655 1.00 9.91 ? 147 TYR A CD1 1 ATOM 1151 C CD2 . TYR A 1 147 ? 16.425 29.090 1.678 1.00 7.72 ? 147 TYR A CD2 1 ATOM 1152 C CE1 . TYR A 1 147 ? 15.581 29.547 -0.934 1.00 8.94 ? 147 TYR A CE1 1 ATOM 1153 C CE2 . TYR A 1 147 ? 15.060 29.225 1.370 1.00 7.66 ? 147 TYR A CE2 1 ATOM 1154 C CZ . TYR A 1 147 ? 14.664 29.443 0.071 1.00 8.40 ? 147 TYR A CZ 1 ATOM 1155 O OH . TYR A 1 147 ? 13.292 29.592 -0.237 1.00 8.14 ? 147 TYR A OH 1 ATOM 1156 N N . VAL A 1 148 ? 19.205 31.664 3.007 1.00 9.09 ? 148 VAL A N 1 ATOM 1157 C CA . VAL A 1 148 ? 18.769 32.692 3.952 1.00 9.23 ? 148 VAL A CA 1 ATOM 1158 C C . VAL A 1 148 ? 19.041 34.082 3.384 1.00 9.54 ? 148 VAL A C 1 ATOM 1159 O O . VAL A 1 148 ? 18.151 34.970 3.387 1.00 9.39 ? 148 VAL A O 1 ATOM 1160 C CB . VAL A 1 148 ? 19.508 32.528 5.314 1.00 8.97 ? 148 VAL A CB 1 ATOM 1161 C CG1 . VAL A 1 148 ? 19.247 33.729 6.235 1.00 10.67 ? 148 VAL A CG1 1 ATOM 1162 C CG2 . VAL A 1 148 ? 19.118 31.217 5.991 1.00 8.16 ? 148 VAL A CG2 1 ATOM 1163 N N . GLN A 1 149 ? 20.254 34.332 2.881 1.00 9.26 ? 149 GLN A N 1 ATOM 1164 C CA . GLN A 1 149 ? 20.445 35.678 2.269 1.00 9.64 ? 149 GLN A CA 1 ATOM 1165 C C . GLN A 1 149 ? 19.498 35.958 1.120 1.00 10.26 ? 149 GLN A C 1 ATOM 1166 O O . GLN A 1 149 ? 19.028 37.147 0.994 1.00 10.62 ? 149 GLN A O 1 ATOM 1167 C CB . GLN A 1 149 ? 21.922 35.775 1.818 1.00 11.75 ? 149 GLN A CB 1 ATOM 1168 C CG . GLN A 1 149 ? 22.288 37.226 1.479 1.00 13.70 ? 149 GLN A CG 1 ATOM 1169 C CD . GLN A 1 149 ? 21.938 37.663 0.067 1.00 18.11 ? 149 GLN A CD 1 ATOM 1170 O OE1 . GLN A 1 149 ? 21.766 36.890 -0.886 1.00 19.36 ? 149 GLN A OE1 1 ATOM 1171 N NE2 . GLN A 1 149 ? 21.864 38.992 -0.136 1.00 20.16 ? 149 GLN A NE2 1 ATOM 1172 N N . ALA A 1 150 ? 19.228 34.961 0.286 1.00 9.34 ? 150 ALA A N 1 ATOM 1173 C CA . ALA A 1 150 ? 18.377 35.179 -0.914 1.00 9.32 ? 150 ALA A CA 1 ATOM 1174 C C . ALA A 1 150 ? 16.943 35.486 -0.500 1.00 10.83 ? 150 ALA A C 1 ATOM 1175 O O . ALA A 1 150 ? 16.243 36.292 -1.175 1.00 12.66 ? 150 ALA A O 1 ATOM 1176 C CB . ALA A 1 150 ? 18.346 33.945 -1.841 1.00 10.91 ? 150 ALA A CB 1 ATOM 1177 N N . VAL A 1 151 ? 16.462 34.956 0.632 1.00 9.39 ? 151 VAL A N 1 ATOM 1178 C CA . VAL A 1 151 ? 15.116 35.263 1.084 1.00 8.50 ? 151 VAL A CA 1 ATOM 1179 C C . VAL A 1 151 ? 15.074 36.575 1.865 1.00 7.67 ? 151 VAL A C 1 ATOM 1180 O O . VAL A 1 151 ? 14.328 37.526 1.504 1.00 9.24 ? 151 VAL A O 1 ATOM 1181 C CB . VAL A 1 151 ? 14.554 34.099 1.920 1.00 7.11 ? 151 VAL A CB 1 ATOM 1182 C CG1 . VAL A 1 151 ? 13.181 34.498 2.527 1.00 8.30 ? 151 VAL A CG1 1 ATOM 1183 C CG2 . VAL A 1 151 ? 14.438 32.817 1.067 1.00 8.85 ? 151 VAL A CG2 1 ATOM 1184 N N . VAL A 1 152 ? 15.993 36.745 2.813 1.00 8.49 ? 152 VAL A N 1 ATOM 1185 C CA . VAL A 1 152 ? 15.968 37.930 3.657 1.00 8.70 ? 152 VAL A CA 1 ATOM 1186 C C . VAL A 1 152 ? 16.218 39.194 2.837 1.00 10.29 ? 152 VAL A C 1 ATOM 1187 O O . VAL A 1 152 ? 15.491 40.203 3.038 1.00 8.75 ? 152 VAL A O 1 ATOM 1188 C CB . VAL A 1 152 ? 17.004 37.860 4.807 1.00 8.95 ? 152 VAL A CB 1 ATOM 1189 C CG1 . VAL A 1 152 ? 17.121 39.177 5.577 1.00 10.55 ? 152 VAL A CG1 1 ATOM 1190 C CG2 . VAL A 1 152 ? 16.675 36.716 5.770 1.00 10.01 ? 152 VAL A CG2 1 ATOM 1191 N N . SER A 1 153 ? 17.126 39.128 1.852 1.00 10.24 ? 153 SER A N 1 ATOM 1192 C CA . SER A 1 153 ? 17.352 40.378 1.089 1.00 11.41 ? 153 SER A CA 1 ATOM 1193 C C . SER A 1 153 ? 16.153 40.812 0.275 1.00 11.58 ? 153 SER A C 1 ATOM 1194 O O . SER A 1 153 ? 16.090 42.048 -0.022 1.00 13.51 ? 153 SER A O 1 ATOM 1195 C CB . SER A 1 153 ? 18.600 40.186 0.203 1.00 13.39 ? 153 SER A CB 1 ATOM 1196 O OG . SER A 1 153 ? 18.399 39.205 -0.806 1.00 14.52 ? 153 SER A OG 1 ATOM 1197 N N . ARG A 1 154 ? 15.196 39.929 -0.072 1.00 10.34 ? 154 ARG A N 1 ATOM 1198 C CA . ARG A 1 154 ? 14.035 40.394 -0.843 1.00 9.68 ? 154 ARG A CA 1 ATOM 1199 C C . ARG A 1 154 ? 13.124 41.261 0.003 1.00 10.27 ? 154 ARG A C 1 ATOM 1200 O O . ARG A 1 154 ? 12.443 42.173 -0.527 1.00 13.64 ? 154 ARG A O 1 ATOM 1201 C CB . ARG A 1 154 ? 13.214 39.154 -1.365 1.00 11.37 ? 154 ARG A CB 1 ATOM 1202 C CG . ARG A 1 154 ? 14.027 38.340 -2.343 1.00 11.48 ? 154 ARG A CG 1 ATOM 1203 C CD . ARG A 1 154 ? 13.231 37.147 -2.879 1.00 11.17 ? 154 ARG A CD 1 ATOM 1204 N NE . ARG A 1 154 ? 12.406 37.386 -4.075 1.00 11.57 ? 154 ARG A NE 1 ATOM 1205 C CZ . ARG A 1 154 ? 12.948 37.459 -5.276 1.00 9.62 ? 154 ARG A CZ 1 ATOM 1206 N NH1 . ARG A 1 154 ? 14.289 37.283 -5.478 1.00 10.36 ? 154 ARG A NH1 1 ATOM 1207 N NH2 . ARG A 1 154 ? 12.172 37.722 -6.375 1.00 10.91 ? 154 ARG A NH2 1 ATOM 1208 N N . TYR A 1 155 ? 12.978 40.883 1.294 1.00 9.65 ? 155 TYR A N 1 ATOM 1209 C CA . TYR A 1 155 ? 11.945 41.542 2.111 1.00 8.53 ? 155 TYR A CA 1 ATOM 1210 C C . TYR A 1 155 ? 12.498 42.256 3.318 1.00 8.92 ? 155 TYR A C 1 ATOM 1211 O O . TYR A 1 155 ? 11.727 42.644 4.209 1.00 9.38 ? 155 TYR A O 1 ATOM 1212 C CB . TYR A 1 155 ? 10.907 40.471 2.581 1.00 9.37 ? 155 TYR A CB 1 ATOM 1213 C CG . TYR A 1 155 ? 10.546 39.447 1.483 1.00 8.85 ? 155 TYR A CG 1 ATOM 1214 C CD1 . TYR A 1 155 ? 9.987 39.834 0.280 1.00 9.25 ? 155 TYR A CD1 1 ATOM 1215 C CD2 . TYR A 1 155 ? 10.767 38.098 1.687 1.00 9.71 ? 155 TYR A CD2 1 ATOM 1216 C CE1 . TYR A 1 155 ? 9.687 38.933 -0.733 1.00 9.07 ? 155 TYR A CE1 1 ATOM 1217 C CE2 . TYR A 1 155 ? 10.468 37.172 0.690 1.00 10.94 ? 155 TYR A CE2 1 ATOM 1218 C CZ . TYR A 1 155 ? 9.935 37.577 -0.510 1.00 10.84 ? 155 TYR A CZ 1 ATOM 1219 O OH . TYR A 1 155 ? 9.654 36.651 -1.495 1.00 10.31 ? 155 TYR A OH 1 ATOM 1220 N N . ALA A 1 156 ? 13.825 42.520 3.372 1.00 7.94 ? 156 ALA A N 1 ATOM 1221 C CA . ALA A 1 156 ? 14.384 43.094 4.614 1.00 6.54 ? 156 ALA A CA 1 ATOM 1222 C C . ALA A 1 156 ? 13.816 44.453 4.972 1.00 8.54 ? 156 ALA A C 1 ATOM 1223 O O . ALA A 1 156 ? 13.801 44.808 6.162 1.00 8.66 ? 156 ALA A O 1 ATOM 1224 C CB . ALA A 1 156 ? 15.918 43.255 4.460 1.00 8.36 ? 156 ALA A CB 1 ATOM 1225 N N . ASN A 1 157 ? 13.274 45.232 3.996 1.00 8.42 ? 157 ASN A N 1 ATOM 1226 C CA . ASN A 1 157 ? 12.738 46.541 4.296 1.00 9.05 ? 157 ASN A CA 1 ATOM 1227 C C . ASN A 1 157 ? 11.212 46.601 4.191 1.00 7.96 ? 157 ASN A C 1 ATOM 1228 O O . ASN A 1 157 ? 10.576 47.675 4.314 1.00 8.39 ? 157 ASN A O 1 ATOM 1229 C CB . ASN A 1 157 ? 13.297 47.681 3.403 1.00 9.33 ? 157 ASN A CB 1 ATOM 1230 C CG . ASN A 1 157 ? 14.778 47.682 3.553 1.00 9.00 ? 157 ASN A CG 1 ATOM 1231 O OD1 . ASN A 1 157 ? 15.598 46.916 3.052 1.00 9.11 ? 157 ASN A OD1 1 ATOM 1232 N ND2 . ASN A 1 157 ? 15.271 48.691 4.353 1.00 7.76 ? 157 ASN A ND2 1 ATOM 1233 N N . SER A 1 158 ? 10.602 45.416 4.072 1.00 7.87 ? 158 SER A N 1 ATOM 1234 C CA . SER A 1 158 ? 9.152 45.326 4.077 1.00 7.82 ? 158 SER A CA 1 ATOM 1235 C C . SER A 1 158 ? 8.615 45.321 5.509 1.00 8.90 ? 158 SER A C 1 ATOM 1236 O O . SER A 1 158 ? 9.067 44.516 6.344 1.00 8.93 ? 158 SER A O 1 ATOM 1237 C CB . SER A 1 158 ? 8.679 44.023 3.367 1.00 7.08 ? 158 SER A CB 1 ATOM 1238 O OG . SER A 1 158 ? 7.238 43.891 3.561 1.00 9.14 ? 158 SER A OG 1 ATOM 1239 N N . THR A 1 159 ? 7.558 46.072 5.784 1.00 8.07 ? 159 THR A N 1 ATOM 1240 C CA . THR A 1 159 ? 6.958 46.073 7.108 1.00 7.90 ? 159 THR A CA 1 ATOM 1241 C C . THR A 1 159 ? 6.028 44.856 7.288 1.00 7.77 ? 159 THR A C 1 ATOM 1242 O O . THR A 1 159 ? 5.526 44.651 8.393 1.00 9.10 ? 159 THR A O 1 ATOM 1243 C CB . THR A 1 159 ? 6.153 47.354 7.398 1.00 9.64 ? 159 THR A CB 1 ATOM 1244 O OG1 . THR A 1 159 ? 5.153 47.509 6.424 1.00 14.15 ? 159 THR A OG1 1 ATOM 1245 C CG2 . THR A 1 159 ? 7.080 48.563 7.404 1.00 11.91 ? 159 THR A CG2 1 ATOM 1246 N N . ALA A 1 160 ? 5.823 44.009 6.277 1.00 7.75 ? 160 ALA A N 1 ATOM 1247 C CA . ALA A 1 160 ? 4.981 42.828 6.427 1.00 7.05 ? 160 ALA A CA 1 ATOM 1248 C C . ALA A 1 160 ? 5.671 41.634 7.058 1.00 7.86 ? 160 ALA A C 1 ATOM 1249 O O . ALA A 1 160 ? 4.973 40.664 7.274 1.00 9.31 ? 160 ALA A O 1 ATOM 1250 C CB . ALA A 1 160 ? 4.375 42.415 5.065 1.00 8.28 ? 160 ALA A CB 1 ATOM 1251 N N . ILE A 1 161 ? 6.971 41.656 7.340 1.00 7.30 ? 161 ILE A N 1 ATOM 1252 C CA . ILE A 1 161 ? 7.594 40.491 7.994 1.00 7.73 ? 161 ILE A CA 1 ATOM 1253 C C . ILE A 1 161 ? 7.480 40.658 9.510 1.00 8.34 ? 161 ILE A C 1 ATOM 1254 O O . ILE A 1 161 ? 7.940 41.616 10.123 1.00 9.82 ? 161 ILE A O 1 ATOM 1255 C CB . ILE A 1 161 ? 9.090 40.399 7.584 1.00 8.87 ? 161 ILE A CB 1 ATOM 1256 C CG1 . ILE A 1 161 ? 9.203 40.408 6.049 1.00 8.32 ? 161 ILE A CG1 1 ATOM 1257 C CG2 . ILE A 1 161 ? 9.757 39.159 8.188 1.00 10.15 ? 161 ILE A CG2 1 ATOM 1258 C CD1 . ILE A 1 161 ? 8.479 39.221 5.366 1.00 10.49 ? 161 ILE A CD1 1 ATOM 1259 N N . PHE A 1 162 ? 6.809 39.690 10.132 1.00 7.27 ? 162 PHE A N 1 ATOM 1260 C CA . PHE A 1 162 ? 6.748 39.633 11.598 1.00 6.56 ? 162 PHE A CA 1 ATOM 1261 C C . PHE A 1 162 ? 8.109 39.189 12.146 1.00 7.50 ? 162 PHE A C 1 ATOM 1262 O O . PHE A 1 162 ? 8.662 39.830 13.079 1.00 7.37 ? 162 PHE A O 1 ATOM 1263 C CB . PHE A 1 162 ? 5.665 38.629 12.028 1.00 7.16 ? 162 PHE A CB 1 ATOM 1264 C CG . PHE A 1 162 ? 5.411 38.618 13.522 1.00 6.67 ? 162 PHE A CG 1 ATOM 1265 C CD1 . PHE A 1 162 ? 6.178 37.821 14.388 1.00 7.84 ? 162 PHE A CD1 1 ATOM 1266 C CD2 . PHE A 1 162 ? 4.360 39.346 14.067 1.00 6.91 ? 162 PHE A CD2 1 ATOM 1267 C CE1 . PHE A 1 162 ? 5.917 37.759 15.735 1.00 8.62 ? 162 PHE A CE1 1 ATOM 1268 C CE2 . PHE A 1 162 ? 4.102 39.280 15.427 1.00 8.33 ? 162 PHE A CE2 1 ATOM 1269 C CZ . PHE A 1 162 ? 4.877 38.527 16.299 1.00 8.67 ? 162 PHE A CZ 1 ATOM 1270 N N . ALA A 1 163 ? 8.616 38.071 11.634 1.00 6.78 ? 163 ALA A N 1 ATOM 1271 C CA . ALA A 1 163 ? 9.913 37.538 12.125 1.00 6.61 ? 163 ALA A CA 1 ATOM 1272 C C . ALA A 1 163 ? 10.500 36.569 11.089 1.00 6.43 ? 163 ALA A C 1 ATOM 1273 O O . ALA A 1 163 ? 9.719 35.821 10.458 1.00 6.21 ? 163 ALA A O 1 ATOM 1274 C CB . ALA A 1 163 ? 9.800 36.801 13.458 1.00 7.34 ? 163 ALA A CB 1 ATOM 1275 N N . TRP A 1 164 ? 11.833 36.563 11.044 1.00 6.59 ? 164 TRP A N 1 ATOM 1276 C CA . TRP A 1 164 ? 12.531 35.475 10.342 1.00 6.70 ? 164 TRP A CA 1 ATOM 1277 C C . TRP A 1 164 ? 12.585 34.294 11.335 1.00 6.85 ? 164 TRP A C 1 ATOM 1278 O O . TRP A 1 164 ? 12.756 34.529 12.580 1.00 8.51 ? 164 TRP A O 1 ATOM 1279 C CB . TRP A 1 164 ? 13.922 35.895 9.956 1.00 6.93 ? 164 TRP A CB 1 ATOM 1280 C CG . TRP A 1 164 ? 13.899 37.077 8.993 1.00 6.36 ? 164 TRP A CG 1 ATOM 1281 C CD1 . TRP A 1 164 ? 14.530 38.291 9.199 1.00 7.48 ? 164 TRP A CD1 1 ATOM 1282 C CD2 . TRP A 1 164 ? 13.292 37.140 7.707 1.00 7.00 ? 164 TRP A CD2 1 ATOM 1283 N NE1 . TRP A 1 164 ? 14.305 39.104 8.109 1.00 7.54 ? 164 TRP A NE1 1 ATOM 1284 C CE2 . TRP A 1 164 ? 13.562 38.405 7.172 1.00 6.77 ? 164 TRP A CE2 1 ATOM 1285 C CE3 . TRP A 1 164 ? 12.573 36.188 6.955 1.00 7.53 ? 164 TRP A CE3 1 ATOM 1286 C CZ2 . TRP A 1 164 ? 13.130 38.827 5.907 1.00 8.52 ? 164 TRP A CZ2 1 ATOM 1287 C CZ3 . TRP A 1 164 ? 12.127 36.604 5.691 1.00 8.23 ? 164 TRP A CZ3 1 ATOM 1288 C CH2 . TRP A 1 164 ? 12.370 37.900 5.204 1.00 9.70 ? 164 TRP A CH2 1 ATOM 1289 N N . GLU A 1 165 ? 12.563 33.073 10.818 1.00 6.94 ? 165 GLU A N 1 ATOM 1290 C CA . GLU A 1 165 ? 12.585 31.876 11.690 1.00 6.67 ? 165 GLU A CA 1 ATOM 1291 C C . GLU A 1 165 ? 13.584 30.892 11.137 1.00 6.34 ? 165 GLU A C 1 ATOM 1292 O O . GLU A 1 165 ? 13.623 30.603 9.952 1.00 6.82 ? 165 GLU A O 1 ATOM 1293 C CB . GLU A 1 165 ? 11.185 31.288 11.769 1.00 6.67 ? 165 GLU A CB 1 ATOM 1294 C CG . GLU A 1 165 ? 11.116 30.056 12.681 1.00 7.05 ? 165 GLU A CG 1 ATOM 1295 C CD . GLU A 1 165 ? 9.647 29.791 12.985 1.00 7.30 ? 165 GLU A CD 1 ATOM 1296 O OE1 . GLU A 1 165 ? 8.945 29.159 12.143 1.00 7.53 ? 165 GLU A OE1 1 ATOM 1297 O OE2 . GLU A 1 165 ? 9.236 30.377 14.036 1.00 7.99 ? 165 GLU A OE2 1 ATOM 1298 N N . LEU A 1 166 ? 14.499 30.444 12.043 1.00 6.25 ? 166 LEU A N 1 ATOM 1299 C CA . LEU A 1 166 ? 15.619 29.643 11.523 1.00 6.62 ? 166 LEU A CA 1 ATOM 1300 C C . LEU A 1 166 ? 15.126 28.364 10.868 1.00 7.49 ? 166 LEU A C 1 ATOM 1301 O O . LEU A 1 166 ? 15.688 27.942 9.836 1.00 8.54 ? 166 LEU A O 1 ATOM 1302 C CB . LEU A 1 166 ? 16.627 29.322 12.649 1.00 6.77 ? 166 LEU A CB 1 ATOM 1303 C CG . LEU A 1 166 ? 17.159 30.552 13.410 1.00 8.04 ? 166 LEU A CG 1 ATOM 1304 C CD1 . LEU A 1 166 ? 18.395 30.171 14.251 1.00 8.19 ? 166 LEU A CD1 1 ATOM 1305 C CD2 . LEU A 1 166 ? 17.439 31.730 12.493 1.00 10.19 ? 166 LEU A CD2 1 ATOM 1306 N N . GLY A 1 167 ? 14.106 27.670 11.427 1.00 6.66 ? 167 GLY A N 1 ATOM 1307 C CA . GLY A 1 167 ? 13.625 26.466 10.733 1.00 6.76 ? 167 GLY A CA 1 ATOM 1308 C C . GLY A 1 167 ? 12.262 26.061 11.308 1.00 7.79 ? 167 GLY A C 1 ATOM 1309 O O . GLY A 1 167 ? 11.846 26.620 12.323 1.00 7.79 ? 167 GLY A O 1 ATOM 1310 N N . ASN A 1 168 ? 11.591 25.130 10.606 1.00 7.60 ? 168 ASN A N 1 ATOM 1311 C CA . ASN A 1 168 ? 10.408 24.532 11.171 1.00 7.13 ? 168 ASN A CA 1 ATOM 1312 C C . ASN A 1 168 ? 10.832 23.294 12.004 1.00 7.03 ? 168 ASN A C 1 ATOM 1313 O O . ASN A 1 168 ? 11.278 22.266 11.487 1.00 8.22 ? 168 ASN A O 1 ATOM 1314 C CB . ASN A 1 168 ? 9.448 24.063 10.056 1.00 7.38 ? 168 ASN A CB 1 ATOM 1315 C CG . ASN A 1 168 ? 8.234 23.356 10.657 1.00 6.69 ? 168 ASN A CG 1 ATOM 1316 O OD1 . ASN A 1 168 ? 7.561 23.918 11.527 1.00 7.81 ? 168 ASN A OD1 1 ATOM 1317 N ND2 . ASN A 1 168 ? 7.981 22.123 10.211 1.00 8.42 ? 168 ASN A ND2 1 ATOM 1318 N N . GLU A 1 169 ? 10.624 23.423 13.328 1.00 6.56 ? 169 GLU A N 1 ATOM 1319 C CA . GLU A 1 169 ? 10.822 22.310 14.290 1.00 6.61 ? 169 GLU A CA 1 ATOM 1320 C C . GLU A 1 169 ? 12.204 21.724 14.259 1.00 7.57 ? 169 GLU A C 1 ATOM 1321 O O . GLU A 1 169 ? 12.340 20.483 14.301 1.00 7.26 ? 169 GLU A O 1 ATOM 1322 C CB . GLU A 1 169 ? 9.783 21.177 14.022 1.00 7.89 ? 169 GLU A CB 1 ATOM 1323 C CG A GLU A 1 169 ? 8.380 21.780 14.172 0.50 6.58 ? 169 GLU A CG 1 ATOM 1324 C CD A GLU A 1 169 ? 7.255 20.784 14.026 0.50 7.81 ? 169 GLU A CD 1 ATOM 1325 O OE1 A GLU A 1 169 ? 7.365 19.654 13.525 0.50 8.66 ? 169 GLU A OE1 1 ATOM 1326 O OE2 A GLU A 1 169 ? 6.171 21.280 14.413 0.50 7.61 ? 169 GLU A OE2 1 ATOM 1327 N N . PRO A 1 170 ? 13.279 22.517 14.307 1.00 7.76 ? 170 PRO A N 1 ATOM 1328 C CA . PRO A 1 170 ? 14.608 21.920 14.335 1.00 6.48 ? 170 PRO A CA 1 ATOM 1329 C C . PRO A 1 170 ? 14.816 20.980 15.529 1.00 6.41 ? 170 PRO A C 1 ATOM 1330 O O . PRO A 1 170 ? 14.441 21.293 16.661 1.00 7.56 ? 170 PRO A O 1 ATOM 1331 C CB . PRO A 1 170 ? 15.528 23.122 14.498 1.00 7.53 ? 170 PRO A CB 1 ATOM 1332 C CG . PRO A 1 170 ? 14.676 24.226 15.053 1.00 9.56 ? 170 PRO A CG 1 ATOM 1333 C CD . PRO A 1 170 ? 13.325 23.993 14.424 1.00 8.06 ? 170 PRO A CD 1 ATOM 1334 N N . ARG A 1 171 ? 15.372 19.781 15.226 1.00 6.98 ? 171 ARG A N 1 ATOM 1335 C CA . ARG A 1 171 ? 15.711 18.811 16.273 1.00 8.42 ? 171 ARG A CA 1 ATOM 1336 C C . ARG A 1 171 ? 17.106 18.277 15.964 1.00 8.79 ? 171 ARG A C 1 ATOM 1337 O O . ARG A 1 171 ? 17.603 18.317 14.836 1.00 9.12 ? 171 ARG A O 1 ATOM 1338 C CB . ARG A 1 171 ? 14.767 17.601 16.333 1.00 8.34 ? 171 ARG A CB 1 ATOM 1339 C CG . ARG A 1 171 ? 13.291 17.938 16.662 1.00 8.50 ? 171 ARG A CG 1 ATOM 1340 C CD . ARG A 1 171 ? 12.559 16.568 16.598 1.00 8.06 ? 171 ARG A CD 1 ATOM 1341 N NE . ARG A 1 171 ? 11.171 16.757 17.010 1.00 7.45 ? 171 ARG A NE 1 ATOM 1342 C CZ . ARG A 1 171 ? 10.355 15.721 17.280 1.00 8.19 ? 171 ARG A CZ 1 ATOM 1343 N NH1 . ARG A 1 171 ? 10.819 14.464 17.190 1.00 9.52 ? 171 ARG A NH1 1 ATOM 1344 N NH2 . ARG A 1 171 ? 9.088 15.970 17.618 1.00 10.87 ? 171 ARG A NH2 1 ATOM 1345 N N . CYS A 1 172 ? 17.702 17.656 16.971 1.00 8.35 ? 172 CYS A N 1 ATOM 1346 C CA . CYS A 1 172 ? 19.002 16.951 16.787 1.00 8.61 ? 172 CYS A CA 1 ATOM 1347 C C . CYS A 1 172 ? 18.835 15.714 17.662 1.00 10.01 ? 172 CYS A C 1 ATOM 1348 O O . CYS A 1 172 ? 19.154 15.768 18.860 1.00 10.89 ? 172 CYS A O 1 ATOM 1349 C CB . CYS A 1 172 ? 20.174 17.884 17.138 1.00 9.30 ? 172 CYS A CB 1 ATOM 1350 S SG . CYS A 1 172 ? 21.802 17.320 16.567 1.00 9.86 ? 172 CYS A SG 1 ATOM 1351 N N . ASN A 1 173 ? 18.245 14.659 17.099 1.00 8.87 ? 173 ASN A N 1 ATOM 1352 C CA . ASN A 1 173 ? 17.833 13.526 17.946 1.00 11.73 ? 173 ASN A CA 1 ATOM 1353 C C . ASN A 1 173 ? 19.019 12.872 18.664 1.00 11.86 ? 173 ASN A C 1 ATOM 1354 O O . ASN A 1 173 ? 19.944 12.445 17.961 1.00 11.81 ? 173 ASN A O 1 ATOM 1355 C CB . ASN A 1 173 ? 17.160 12.504 17.010 1.00 13.09 ? 173 ASN A CB 1 ATOM 1356 C CG . ASN A 1 173 ? 16.711 11.263 17.776 1.00 15.49 ? 173 ASN A CG 1 ATOM 1357 O OD1 . ASN A 1 173 ? 17.396 10.241 17.569 1.00 19.41 ? 173 ASN A OD1 1 ATOM 1358 N ND2 . ASN A 1 173 ? 15.654 11.337 18.564 1.00 14.89 ? 173 ASN A ND2 1 ATOM 1359 N N . GLY A 1 174 ? 18.942 12.743 19.991 1.00 11.20 ? 174 GLY A N 1 ATOM 1360 C CA . GLY A 1 174 ? 20.075 12.165 20.736 1.00 11.91 ? 174 GLY A CA 1 ATOM 1361 C C . GLY A 1 174 ? 21.286 13.039 20.814 1.00 12.96 ? 174 GLY A C 1 ATOM 1362 O O . GLY A 1 174 ? 22.299 12.577 21.391 1.00 16.49 ? 174 GLY A O 1 ATOM 1363 N N . CYS A 1 175 ? 21.317 14.284 20.291 1.00 12.50 ? 175 CYS A N 1 ATOM 1364 C CA . CYS A 1 175 ? 22.514 15.084 20.362 1.00 11.94 ? 175 CYS A CA 1 ATOM 1365 C C . CYS A 1 175 ? 22.650 15.830 21.667 1.00 12.65 ? 175 CYS A C 1 ATOM 1366 O O . CYS A 1 175 ? 21.650 16.097 22.354 1.00 12.99 ? 175 CYS A O 1 ATOM 1367 C CB . CYS A 1 175 ? 22.362 16.209 19.299 1.00 11.14 ? 175 CYS A CB 1 ATOM 1368 S SG . CYS A 1 175 ? 22.147 15.574 17.627 1.00 10.08 ? 175 CYS A SG 1 ATOM 1369 N N . SER A 1 176 ? 23.882 16.284 21.971 1.00 12.79 ? 176 SER A N 1 ATOM 1370 C CA . SER A 1 176 ? 24.036 17.274 23.028 1.00 11.77 ? 176 SER A CA 1 ATOM 1371 C C . SER A 1 176 ? 23.154 18.492 22.623 1.00 12.39 ? 176 SER A C 1 ATOM 1372 O O . SER A 1 176 ? 23.167 18.912 21.451 1.00 12.79 ? 176 SER A O 1 ATOM 1373 C CB . SER A 1 176 ? 25.494 17.728 23.033 1.00 14.13 ? 176 SER A CB 1 ATOM 1374 O OG . SER A 1 176 ? 25.615 18.905 23.833 1.00 15.29 ? 176 SER A OG 1 ATOM 1375 N N . THR A 1 177 ? 22.529 19.094 23.619 1.00 11.56 ? 177 THR A N 1 ATOM 1376 C CA . THR A 1 177 ? 21.684 20.280 23.361 1.00 11.26 ? 177 THR A CA 1 ATOM 1377 C C . THR A 1 177 ? 22.507 21.497 22.949 1.00 11.46 ? 177 THR A C 1 ATOM 1378 O O . THR A 1 177 ? 21.968 22.443 22.363 1.00 11.19 ? 177 THR A O 1 ATOM 1379 C CB . THR A 1 177 ? 20.829 20.664 24.568 1.00 12.17 ? 177 THR A CB 1 ATOM 1380 O OG1 . THR A 1 177 ? 21.723 20.995 25.665 1.00 13.23 ? 177 THR A OG1 1 ATOM 1381 C CG2 . THR A 1 177 ? 19.891 19.561 24.982 1.00 13.13 ? 177 THR A CG2 1 ATOM 1382 N N . ASP A 1 178 ? 23.833 21.452 23.130 1.00 11.03 ? 178 ASP A N 1 ATOM 1383 C CA . ASP A 1 178 ? 24.708 22.544 22.706 1.00 10.17 ? 178 ASP A CA 1 ATOM 1384 C C . ASP A 1 178 ? 24.829 22.628 21.196 1.00 10.60 ? 178 ASP A C 1 ATOM 1385 O O . ASP A 1 178 ? 25.226 23.688 20.693 1.00 10.94 ? 178 ASP A O 1 ATOM 1386 C CB . ASP A 1 178 ? 26.101 22.399 23.355 1.00 12.22 ? 178 ASP A CB 1 ATOM 1387 C CG . ASP A 1 178 ? 26.945 23.660 23.199 1.00 15.32 ? 178 ASP A CG 1 ATOM 1388 O OD1 . ASP A 1 178 ? 26.498 24.738 23.597 1.00 16.79 ? 178 ASP A OD1 1 ATOM 1389 O OD2 . ASP A 1 178 ? 28.066 23.511 22.677 1.00 17.58 ? 178 ASP A OD2 1 ATOM 1390 N N . VAL A 1 179 ? 24.586 21.553 20.447 1.00 10.16 ? 179 VAL A N 1 ATOM 1391 C CA . VAL A 1 179 ? 24.690 21.649 18.981 1.00 9.70 ? 179 VAL A CA 1 ATOM 1392 C C . VAL A 1 179 ? 23.684 22.674 18.438 1.00 9.51 ? 179 VAL A C 1 ATOM 1393 O O . VAL A 1 179 ? 24.127 23.600 17.751 1.00 10.29 ? 179 VAL A O 1 ATOM 1394 C CB . VAL A 1 179 ? 24.486 20.272 18.332 1.00 9.87 ? 179 VAL A CB 1 ATOM 1395 C CG1 . VAL A 1 179 ? 24.489 20.377 16.822 1.00 10.41 ? 179 VAL A CG1 1 ATOM 1396 C CG2 . VAL A 1 179 ? 25.509 19.239 18.859 1.00 11.35 ? 179 VAL A CG2 1 ATOM 1397 N N . ILE A 1 180 ? 22.421 22.588 18.820 1.00 9.16 ? 180 ILE A N 1 ATOM 1398 C CA . ILE A 1 180 ? 21.461 23.619 18.353 1.00 9.66 ? 180 ILE A CA 1 ATOM 1399 C C . ILE A 1 180 ? 21.735 24.921 19.061 1.00 9.88 ? 180 ILE A C 1 ATOM 1400 O O . ILE A 1 180 ? 21.518 25.974 18.441 1.00 9.89 ? 180 ILE A O 1 ATOM 1401 C CB . ILE A 1 180 ? 20.009 23.094 18.517 1.00 8.70 ? 180 ILE A CB 1 ATOM 1402 C CG1 . ILE A 1 180 ? 19.757 22.093 17.383 1.00 9.21 ? 180 ILE A CG1 1 ATOM 1403 C CG2 . ILE A 1 180 ? 19.047 24.306 18.478 1.00 10.23 ? 180 ILE A CG2 1 ATOM 1404 C CD1 . ILE A 1 180 ? 18.467 21.302 17.463 1.00 9.71 ? 180 ILE A CD1 1 ATOM 1405 N N . VAL A 1 181 ? 22.166 24.986 20.337 1.00 10.03 ? 181 VAL A N 1 ATOM 1406 C CA . VAL A 1 181 ? 22.470 26.326 20.896 1.00 8.99 ? 181 VAL A CA 1 ATOM 1407 C C . VAL A 1 181 ? 23.521 27.043 20.038 1.00 9.80 ? 181 VAL A C 1 ATOM 1408 O O . VAL A 1 181 ? 23.370 28.237 19.717 1.00 10.52 ? 181 VAL A O 1 ATOM 1409 C CB . VAL A 1 181 ? 22.987 26.279 22.340 1.00 9.62 ? 181 VAL A CB 1 ATOM 1410 C CG1 . VAL A 1 181 ? 23.481 27.658 22.823 1.00 11.65 ? 181 VAL A CG1 1 ATOM 1411 C CG2 . VAL A 1 181 ? 21.893 25.743 23.266 1.00 10.06 ? 181 VAL A CG2 1 ATOM 1412 N N . GLN A 1 182 ? 24.628 26.398 19.682 1.00 9.29 ? 182 GLN A N 1 ATOM 1413 C CA . GLN A 1 182 ? 25.687 27.076 18.934 1.00 9.95 ? 182 GLN A CA 1 ATOM 1414 C C . GLN A 1 182 ? 25.245 27.358 17.509 1.00 10.27 ? 182 GLN A C 1 ATOM 1415 O O . GLN A 1 182 ? 25.549 28.497 17.067 1.00 11.91 ? 182 GLN A O 1 ATOM 1416 C CB . GLN A 1 182 ? 27.001 26.267 18.915 1.00 11.66 ? 182 GLN A CB 1 ATOM 1417 C CG . GLN A 1 182 ? 27.587 26.072 20.325 1.00 14.07 ? 182 GLN A CG 1 ATOM 1418 C CD . GLN A 1 182 ? 27.737 27.368 21.103 1.00 15.63 ? 182 GLN A CD 1 ATOM 1419 O OE1 . GLN A 1 182 ? 28.149 28.401 20.562 1.00 17.03 ? 182 GLN A OE1 1 ATOM 1420 N NE2 . GLN A 1 182 ? 27.346 27.325 22.371 1.00 16.02 ? 182 GLN A NE2 1 ATOM 1421 N N . TRP A 1 183 ? 24.507 26.446 16.874 1.00 10.28 ? 183 TRP A N 1 ATOM 1422 C CA . TRP A 1 183 ? 24.019 26.766 15.509 1.00 9.49 ? 183 TRP A CA 1 ATOM 1423 C C . TRP A 1 183 ? 23.039 27.942 15.524 1.00 10.64 ? 183 TRP A C 1 ATOM 1424 O O . TRP A 1 183 ? 23.111 28.895 14.745 1.00 10.92 ? 183 TRP A O 1 ATOM 1425 C CB . TRP A 1 183 ? 23.313 25.490 15.002 1.00 9.18 ? 183 TRP A CB 1 ATOM 1426 C CG . TRP A 1 183 ? 22.617 25.656 13.672 1.00 8.64 ? 183 TRP A CG 1 ATOM 1427 C CD1 . TRP A 1 183 ? 23.192 25.631 12.422 1.00 7.41 ? 183 TRP A CD1 1 ATOM 1428 C CD2 . TRP A 1 183 ? 21.212 25.851 13.456 1.00 8.36 ? 183 TRP A CD2 1 ATOM 1429 N NE1 . TRP A 1 183 ? 22.249 25.862 11.438 1.00 8.84 ? 183 TRP A NE1 1 ATOM 1430 C CE2 . TRP A 1 183 ? 21.018 25.968 12.094 1.00 8.54 ? 183 TRP A CE2 1 ATOM 1431 C CE3 . TRP A 1 183 ? 20.106 25.905 14.317 1.00 9.17 ? 183 TRP A CE3 1 ATOM 1432 C CZ2 . TRP A 1 183 ? 19.754 26.143 11.523 1.00 8.62 ? 183 TRP A CZ2 1 ATOM 1433 C CZ3 . TRP A 1 183 ? 18.848 26.118 13.742 1.00 9.08 ? 183 TRP A CZ3 1 ATOM 1434 C CH2 . TRP A 1 183 ? 18.689 26.217 12.359 1.00 8.83 ? 183 TRP A CH2 1 ATOM 1435 N N . ALA A 1 184 ? 22.083 27.898 16.464 1.00 10.14 ? 184 ALA A N 1 ATOM 1436 C CA . ALA A 1 184 ? 21.072 28.968 16.526 1.00 8.83 ? 184 ALA A CA 1 ATOM 1437 C C . ALA A 1 184 ? 21.709 30.324 16.825 1.00 8.78 ? 184 ALA A C 1 ATOM 1438 O O . ALA A 1 184 ? 21.317 31.390 16.308 1.00 8.65 ? 184 ALA A O 1 ATOM 1439 C CB . ALA A 1 184 ? 20.007 28.624 17.570 1.00 9.46 ? 184 ALA A CB 1 ATOM 1440 N N . THR A 1 185 ? 22.712 30.315 17.731 1.00 9.75 ? 185 THR A N 1 ATOM 1441 C CA . THR A 1 185 ? 23.448 31.554 18.030 1.00 9.33 ? 185 THR A CA 1 ATOM 1442 C C . THR A 1 185 ? 24.095 32.127 16.779 1.00 9.24 ? 185 THR A C 1 ATOM 1443 O O . THR A 1 185 ? 23.908 33.324 16.452 1.00 9.70 ? 185 THR A O 1 ATOM 1444 C CB . THR A 1 185 ? 24.501 31.250 19.139 1.00 8.48 ? 185 THR A CB 1 ATOM 1445 O OG1 . THR A 1 185 ? 23.889 30.858 20.356 1.00 10.99 ? 185 THR A OG1 1 ATOM 1446 C CG2 . THR A 1 185 ? 25.392 32.469 19.357 1.00 8.99 ? 185 THR A CG2 1 ATOM 1447 N N . SER A 1 186 ? 24.884 31.294 16.088 1.00 9.30 ? 186 SER A N 1 ATOM 1448 C CA . SER A 1 186 ? 25.587 31.799 14.901 1.00 10.31 ? 186 SER A CA 1 ATOM 1449 C C . SER A 1 186 ? 24.647 32.219 13.775 1.00 9.22 ? 186 SER A C 1 ATOM 1450 O O . SER A 1 186 ? 24.853 33.241 13.079 1.00 9.26 ? 186 SER A O 1 ATOM 1451 C CB . SER A 1 186 ? 26.581 30.704 14.470 1.00 12.18 ? 186 SER A CB 1 ATOM 1452 O OG A SER A 1 186 ? 27.318 31.245 13.414 0.50 12.23 ? 186 SER A OG 1 ATOM 1453 O OG B SER A 1 186 ? 27.575 30.566 15.491 0.50 13.66 ? 186 SER A OG 1 ATOM 1454 N N . VAL A 1 187 ? 23.607 31.378 13.530 1.00 8.47 ? 187 VAL A N 1 ATOM 1455 C CA . VAL A 1 187 ? 22.728 31.710 12.379 1.00 7.99 ? 187 VAL A CA 1 ATOM 1456 C C . VAL A 1 187 ? 21.875 32.928 12.692 1.00 8.25 ? 187 VAL A C 1 ATOM 1457 O O . VAL A 1 187 ? 21.694 33.768 11.810 1.00 7.43 ? 187 VAL A O 1 ATOM 1458 C CB . VAL A 1 187 ? 21.850 30.493 12.009 1.00 7.86 ? 187 VAL A CB 1 ATOM 1459 C CG1 . VAL A 1 187 ? 20.829 30.887 10.919 1.00 8.82 ? 187 VAL A CG1 1 ATOM 1460 C CG2 . VAL A 1 187 ? 22.693 29.335 11.460 1.00 8.51 ? 187 VAL A CG2 1 ATOM 1461 N N . SER A 1 188 ? 21.392 33.097 13.931 1.00 8.22 ? 188 SER A N 1 ATOM 1462 C CA . SER A 1 188 ? 20.602 34.331 14.209 1.00 7.43 ? 188 SER A CA 1 ATOM 1463 C C . SER A 1 188 ? 21.503 35.543 14.173 1.00 7.52 ? 188 SER A C 1 ATOM 1464 O O . SER A 1 188 ? 21.037 36.586 13.709 1.00 8.16 ? 188 SER A O 1 ATOM 1465 C CB . SER A 1 188 ? 19.823 34.221 15.524 1.00 6.93 ? 188 SER A CB 1 ATOM 1466 O OG . SER A 1 188 ? 20.699 33.975 16.645 1.00 7.91 ? 188 SER A OG 1 ATOM 1467 N N . GLN A 1 189 ? 22.775 35.458 14.601 1.00 8.21 ? 189 GLN A N 1 ATOM 1468 C CA . GLN A 1 189 ? 23.667 36.616 14.400 1.00 8.81 ? 189 GLN A CA 1 ATOM 1469 C C . GLN A 1 189 ? 23.755 36.941 12.911 1.00 8.46 ? 189 GLN A C 1 ATOM 1470 O O . GLN A 1 189 ? 23.757 38.126 12.506 1.00 10.67 ? 189 GLN A O 1 ATOM 1471 C CB . GLN A 1 189 ? 25.057 36.283 14.976 1.00 10.52 ? 189 GLN A CB 1 ATOM 1472 C CG . GLN A 1 189 ? 25.102 36.346 16.500 1.00 10.89 ? 189 GLN A CG 1 ATOM 1473 C CD . GLN A 1 189 ? 26.479 35.902 17.048 1.00 13.34 ? 189 GLN A CD 1 ATOM 1474 O OE1 . GLN A 1 189 ? 27.443 35.650 16.291 1.00 18.72 ? 189 GLN A OE1 1 ATOM 1475 N NE2 . GLN A 1 189 ? 26.561 35.768 18.358 1.00 12.92 ? 189 GLN A NE2 1 ATOM 1476 N N . TYR A 1 190 ? 23.861 35.923 12.041 1.00 8.57 ? 190 TYR A N 1 ATOM 1477 C CA . TYR A 1 190 ? 23.937 36.165 10.592 1.00 9.41 ? 190 TYR A CA 1 ATOM 1478 C C . TYR A 1 190 ? 22.682 36.868 10.059 1.00 8.40 ? 190 TYR A C 1 ATOM 1479 O O . TYR A 1 190 ? 22.761 37.836 9.269 1.00 8.17 ? 190 TYR A O 1 ATOM 1480 C CB . TYR A 1 190 ? 24.171 34.821 9.875 1.00 9.08 ? 190 TYR A CB 1 ATOM 1481 C CG . TYR A 1 190 ? 24.222 34.974 8.376 1.00 9.56 ? 190 TYR A CG 1 ATOM 1482 C CD1 . TYR A 1 190 ? 25.152 35.829 7.784 1.00 10.51 ? 190 TYR A CD1 1 ATOM 1483 C CD2 . TYR A 1 190 ? 23.358 34.302 7.503 1.00 9.55 ? 190 TYR A CD2 1 ATOM 1484 C CE1 . TYR A 1 190 ? 25.239 36.027 6.427 1.00 11.35 ? 190 TYR A CE1 1 ATOM 1485 C CE2 . TYR A 1 190 ? 23.412 34.495 6.129 1.00 10.48 ? 190 TYR A CE2 1 ATOM 1486 C CZ . TYR A 1 190 ? 24.358 35.354 5.603 1.00 11.52 ? 190 TYR A CZ 1 ATOM 1487 O OH . TYR A 1 190 ? 24.412 35.529 4.234 1.00 12.48 ? 190 TYR A OH 1 ATOM 1488 N N . VAL A 1 191 ? 21.497 36.386 10.467 1.00 9.01 ? 191 VAL A N 1 ATOM 1489 C CA . VAL A 1 191 ? 20.252 37.022 9.980 1.00 9.14 ? 191 VAL A CA 1 ATOM 1490 C C . VAL A 1 191 ? 20.222 38.470 10.450 1.00 8.67 ? 191 VAL A C 1 ATOM 1491 O O . VAL A 1 191 ? 19.917 39.359 9.632 1.00 8.16 ? 191 VAL A O 1 ATOM 1492 C CB . VAL A 1 191 ? 19.026 36.273 10.538 1.00 7.94 ? 191 VAL A CB 1 ATOM 1493 C CG1 . VAL A 1 191 ? 17.739 37.012 10.083 1.00 8.31 ? 191 VAL A CG1 1 ATOM 1494 C CG2 . VAL A 1 191 ? 18.998 34.841 10.001 1.00 10.44 ? 191 VAL A CG2 1 ATOM 1495 N N . LYS A 1 192 ? 20.613 38.775 11.695 1.00 9.63 ? 192 LYS A N 1 ATOM 1496 C CA . LYS A 1 192 ? 20.666 40.181 12.160 1.00 9.03 ? 192 LYS A CA 1 ATOM 1497 C C . LYS A 1 192 ? 21.650 41.023 11.371 1.00 9.54 ? 192 LYS A C 1 ATOM 1498 O O . LYS A 1 192 ? 21.476 42.263 11.193 1.00 11.23 ? 192 LYS A O 1 ATOM 1499 C CB . LYS A 1 192 ? 20.980 40.253 13.670 1.00 9.37 ? 192 LYS A CB 1 ATOM 1500 C CG . LYS A 1 192 ? 19.860 39.669 14.561 1.00 10.87 ? 192 LYS A CG 1 ATOM 1501 C CD . LYS A 1 192 ? 18.646 40.601 14.556 1.00 11.25 ? 192 LYS A CD 1 ATOM 1502 C CE . LYS A 1 192 ? 17.678 40.146 15.642 1.00 13.21 ? 192 LYS A CE 1 ATOM 1503 N NZ . LYS A 1 192 ? 16.460 41.018 15.723 1.00 14.30 ? 192 LYS A NZ 1 ATOM 1504 N N . SER A 1 193 ? 22.700 40.372 10.861 1.00 9.52 ? 193 SER A N 1 ATOM 1505 C CA . SER A 1 193 ? 23.678 41.100 10.057 1.00 8.72 ? 193 SER A CA 1 ATOM 1506 C C . SER A 1 193 ? 23.151 41.459 8.660 1.00 10.02 ? 193 SER A C 1 ATOM 1507 O O . SER A 1 193 ? 23.694 42.354 8.031 1.00 12.27 ? 193 SER A O 1 ATOM 1508 C CB . SER A 1 193 ? 24.961 40.244 9.926 1.00 10.80 ? 193 SER A CB 1 ATOM 1509 O OG . SER A 1 193 ? 24.968 39.301 8.839 1.00 10.79 ? 193 SER A OG 1 ATOM 1510 N N . LEU A 1 194 ? 22.067 40.798 8.240 1.00 7.97 ? 194 LEU A N 1 ATOM 1511 C CA . LEU A 1 194 ? 21.461 41.096 6.935 1.00 8.34 ? 194 LEU A CA 1 ATOM 1512 C C . LEU A 1 194 ? 20.273 42.056 7.045 1.00 8.31 ? 194 LEU A C 1 ATOM 1513 O O . LEU A 1 194 ? 19.832 42.629 6.014 1.00 9.72 ? 194 LEU A O 1 ATOM 1514 C CB . LEU A 1 194 ? 20.834 39.789 6.371 1.00 8.97 ? 194 LEU A CB 1 ATOM 1515 C CG . LEU A 1 194 ? 21.851 38.668 6.073 1.00 10.96 ? 194 LEU A CG 1 ATOM 1516 C CD1 . LEU A 1 194 ? 21.127 37.417 5.548 1.00 11.79 ? 194 LEU A CD1 1 ATOM 1517 C CD2 . LEU A 1 194 ? 22.913 39.116 5.042 1.00 14.57 ? 194 LEU A CD2 1 ATOM 1518 N N . ASP A 1 195 ? 19.696 42.153 8.226 1.00 8.55 ? 195 ASP A N 1 ATOM 1519 C CA . ASP A 1 195 ? 18.445 42.888 8.444 1.00 7.53 ? 195 ASP A CA 1 ATOM 1520 C C . ASP A 1 195 ? 18.366 43.295 9.911 1.00 8.28 ? 195 ASP A C 1 ATOM 1521 O O . ASP A 1 195 ? 18.230 42.451 10.802 1.00 8.97 ? 195 ASP A O 1 ATOM 1522 C CB . ASP A 1 195 ? 17.307 41.924 8.024 1.00 8.39 ? 195 ASP A CB 1 ATOM 1523 C CG . ASP A 1 195 ? 15.920 42.471 8.272 1.00 8.01 ? 195 ASP A CG 1 ATOM 1524 O OD1 . ASP A 1 195 ? 15.695 43.468 8.988 1.00 8.21 ? 195 ASP A OD1 1 ATOM 1525 O OD2 . ASP A 1 195 ? 14.966 41.833 7.704 1.00 8.06 ? 195 ASP A OD2 1 ATOM 1526 N N . SER A 1 196 ? 18.447 44.621 10.155 1.00 8.03 ? 196 SER A N 1 ATOM 1527 C CA . SER A 1 196 ? 18.313 45.119 11.524 1.00 7.98 ? 196 SER A CA 1 ATOM 1528 C C . SER A 1 196 ? 16.904 45.603 11.870 1.00 9.71 ? 196 SER A C 1 ATOM 1529 O O . SER A 1 196 ? 16.637 46.105 12.973 1.00 11.41 ? 196 SER A O 1 ATOM 1530 C CB . SER A 1 196 ? 19.291 46.279 11.816 1.00 9.70 ? 196 SER A CB 1 ATOM 1531 O OG . SER A 1 196 ? 19.020 47.404 10.992 1.00 13.77 ? 196 SER A OG 1 ATOM 1532 N N . ASN A 1 197 ? 15.971 45.475 10.899 1.00 9.25 ? 197 ASN A N 1 ATOM 1533 C CA . ASN A 1 197 ? 14.624 45.925 11.136 1.00 7.62 ? 197 ASN A CA 1 ATOM 1534 C C . ASN A 1 197 ? 13.715 44.876 11.755 1.00 8.32 ? 197 ASN A C 1 ATOM 1535 O O . ASN A 1 197 ? 12.760 45.244 12.442 1.00 9.86 ? 197 ASN A O 1 ATOM 1536 C CB . ASN A 1 197 ? 13.993 46.268 9.755 1.00 7.61 ? 197 ASN A CB 1 ATOM 1537 C CG . ASN A 1 197 ? 14.718 47.329 8.970 1.00 8.53 ? 197 ASN A CG 1 ATOM 1538 O OD1 . ASN A 1 197 ? 15.086 48.326 9.605 1.00 9.93 ? 197 ASN A OD1 1 ATOM 1539 N ND2 . ASN A 1 197 ? 14.901 47.039 7.672 1.00 8.96 ? 197 ASN A ND2 1 ATOM 1540 N N . HIS A 1 198 ? 14.058 43.586 11.557 1.00 7.29 ? 198 HIS A N 1 ATOM 1541 C CA . HIS A 1 198 ? 13.104 42.534 11.968 1.00 7.27 ? 198 HIS A CA 1 ATOM 1542 C C . HIS A 1 198 ? 13.515 41.584 13.084 1.00 7.93 ? 198 HIS A C 1 ATOM 1543 O O . HIS A 1 198 ? 14.708 41.309 13.305 1.00 8.76 ? 198 HIS A O 1 ATOM 1544 C CB . HIS A 1 198 ? 12.801 41.635 10.729 1.00 8.63 ? 198 HIS A CB 1 ATOM 1545 C CG . HIS A 1 198 ? 12.085 42.349 9.602 1.00 7.67 ? 198 HIS A CG 1 ATOM 1546 N ND1 . HIS A 1 198 ? 10.853 42.938 9.687 1.00 10.02 ? 198 HIS A ND1 1 ATOM 1547 C CD2 . HIS A 1 198 ? 12.515 42.534 8.322 1.00 5.97 ? 198 HIS A CD2 1 ATOM 1548 C CE1 . HIS A 1 198 ? 10.565 43.504 8.495 1.00 5.57 ? 198 HIS A CE1 1 ATOM 1549 N NE2 . HIS A 1 198 ? 11.552 43.240 7.666 1.00 9.80 ? 198 HIS A NE2 1 ATOM 1550 N N . LEU A 1 199 ? 12.509 41.118 13.790 1.00 7.40 ? 199 LEU A N 1 ATOM 1551 C CA . LEU A 1 199 ? 12.707 40.124 14.848 1.00 8.92 ? 199 LEU A CA 1 ATOM 1552 C C . LEU A 1 199 ? 13.148 38.786 14.246 1.00 8.62 ? 199 LEU A C 1 ATOM 1553 O O . LEU A 1 199 ? 12.911 38.443 13.078 1.00 6.86 ? 199 LEU A O 1 ATOM 1554 C CB . LEU A 1 199 ? 11.372 39.869 15.578 1.00 9.33 ? 199 LEU A CB 1 ATOM 1555 C CG . LEU A 1 199 ? 10.765 41.167 16.154 1.00 9.55 ? 199 LEU A CG 1 ATOM 1556 C CD1 . LEU A 1 199 ? 9.368 40.843 16.725 1.00 10.71 ? 199 LEU A CD1 1 ATOM 1557 C CD2 . LEU A 1 199 ? 11.659 41.680 17.285 1.00 9.30 ? 199 LEU A CD2 1 ATOM 1558 N N . VAL A 1 200 ? 13.846 37.980 15.043 1.00 8.44 ? 200 VAL A N 1 ATOM 1559 C CA . VAL A 1 200 ? 14.328 36.643 14.685 1.00 8.17 ? 200 VAL A CA 1 ATOM 1560 C C . VAL A 1 200 ? 13.916 35.631 15.758 1.00 7.72 ? 200 VAL A C 1 ATOM 1561 O O . VAL A 1 200 ? 14.074 35.919 16.950 1.00 7.63 ? 200 VAL A O 1 ATOM 1562 C CB . VAL A 1 200 ? 15.852 36.654 14.490 1.00 7.99 ? 200 VAL A CB 1 ATOM 1563 C CG1 . VAL A 1 200 ? 16.376 35.257 14.011 1.00 8.30 ? 200 VAL A CG1 1 ATOM 1564 C CG2 . VAL A 1 200 ? 16.245 37.684 13.424 1.00 7.86 ? 200 VAL A CG2 1 ATOM 1565 N N . THR A 1 201 ? 13.514 34.396 15.385 1.00 7.57 ? 201 THR A N 1 ATOM 1566 C CA . THR A 1 201 ? 13.238 33.348 16.364 1.00 6.89 ? 201 THR A CA 1 ATOM 1567 C C . THR A 1 201 ? 13.711 31.982 15.846 1.00 6.49 ? 201 THR A C 1 ATOM 1568 O O . THR A 1 201 ? 14.104 31.847 14.673 1.00 7.44 ? 201 THR A O 1 ATOM 1569 C CB . THR A 1 201 ? 11.730 33.344 16.712 1.00 7.58 ? 201 THR A CB 1 ATOM 1570 O OG1 . THR A 1 201 ? 11.489 32.497 17.847 1.00 8.55 ? 201 THR A OG1 1 ATOM 1571 C CG2 . THR A 1 201 ? 10.892 32.859 15.524 1.00 8.21 ? 201 THR A CG2 1 ATOM 1572 N N . LEU A 1 202 ? 13.671 30.937 16.679 1.00 7.54 ? 202 LEU A N 1 ATOM 1573 C CA . LEU A 1 202 ? 14.172 29.612 16.310 1.00 7.42 ? 202 LEU A CA 1 ATOM 1574 C C . LEU A 1 202 ? 13.184 28.747 15.516 1.00 7.40 ? 202 LEU A C 1 ATOM 1575 O O . LEU A 1 202 ? 13.618 28.163 14.507 1.00 7.41 ? 202 LEU A O 1 ATOM 1576 C CB . LEU A 1 202 ? 14.657 28.925 17.581 1.00 9.03 ? 202 LEU A CB 1 ATOM 1577 C CG . LEU A 1 202 ? 15.245 27.528 17.427 1.00 7.42 ? 202 LEU A CG 1 ATOM 1578 C CD1 . LEU A 1 202 ? 16.349 27.442 16.373 1.00 9.08 ? 202 LEU A CD1 1 ATOM 1579 C CD2 . LEU A 1 202 ? 15.776 27.010 18.786 1.00 8.80 ? 202 LEU A CD2 1 ATOM 1580 N N . GLY A 1 203 ? 11.912 28.656 15.936 1.00 7.30 ? 203 GLY A N 1 ATOM 1581 C CA . GLY A 1 203 ? 10.947 27.803 15.254 1.00 7.07 ? 203 GLY A CA 1 ATOM 1582 C C . GLY A 1 203 ? 10.920 26.389 15.838 1.00 8.08 ? 203 GLY A C 1 ATOM 1583 O O . GLY A 1 203 ? 10.249 25.526 15.289 1.00 8.26 ? 203 GLY A O 1 ATOM 1584 N N . ASP A 1 204 ? 11.583 26.185 16.979 1.00 6.88 ? 204 ASP A N 1 ATOM 1585 C CA . ASP A 1 204 ? 11.491 24.904 17.666 1.00 7.96 ? 204 ASP A CA 1 ATOM 1586 C C . ASP A 1 204 ? 10.134 24.645 18.302 1.00 8.47 ? 204 ASP A C 1 ATOM 1587 O O . ASP A 1 204 ? 9.317 25.559 18.514 1.00 8.02 ? 204 ASP A O 1 ATOM 1588 C CB . ASP A 1 204 ? 12.614 24.809 18.734 1.00 9.14 ? 204 ASP A CB 1 ATOM 1589 C CG . ASP A 1 204 ? 12.432 25.842 19.819 1.00 10.00 ? 204 ASP A CG 1 ATOM 1590 O OD1 . ASP A 1 204 ? 12.369 27.030 19.424 1.00 9.31 ? 204 ASP A OD1 1 ATOM 1591 O OD2 . ASP A 1 204 ? 12.301 25.554 21.023 1.00 12.41 ? 204 ASP A OD2 1 ATOM 1592 N N . GLU A 1 205 ? 9.918 23.356 18.606 1.00 7.96 ? 205 GLU A N 1 ATOM 1593 C CA . GLU A 1 205 ? 8.675 22.935 19.267 1.00 7.22 ? 205 GLU A CA 1 ATOM 1594 C C . GLU A 1 205 ? 8.683 23.250 20.762 1.00 7.09 ? 205 GLU A C 1 ATOM 1595 O O . GLU A 1 205 ? 7.636 23.085 21.423 1.00 7.29 ? 205 GLU A O 1 ATOM 1596 C CB . GLU A 1 205 ? 8.533 21.423 19.119 1.00 7.96 ? 205 GLU A CB 1 ATOM 1597 C CG . GLU A 1 205 ? 8.498 20.979 17.655 1.00 8.31 ? 205 GLU A CG 1 ATOM 1598 C CD . GLU A 1 205 ? 8.873 19.491 17.512 1.00 9.17 ? 205 GLU A CD 1 ATOM 1599 O OE1 . GLU A 1 205 ? 10.101 19.301 17.386 1.00 10.65 ? 205 GLU A OE1 1 ATOM 1600 O OE2 . GLU A 1 205 ? 8.024 18.573 17.592 1.00 10.91 ? 205 GLU A OE2 1 ATOM 1601 N N . GLY A 1 206 ? 9.810 23.641 21.352 1.00 7.76 ? 206 GLY A N 1 ATOM 1602 C CA . GLY A 1 206 ? 9.903 23.902 22.777 1.00 8.26 ? 206 GLY A CA 1 ATOM 1603 C C . GLY A 1 206 ? 10.289 22.677 23.600 1.00 9.06 ? 206 GLY A C 1 ATOM 1604 O O . GLY A 1 206 ? 10.152 22.672 24.851 1.00 9.42 ? 206 GLY A O 1 ATOM 1605 N N . LEU A 1 207 ? 10.784 21.621 22.970 1.00 8.79 ? 207 LEU A N 1 ATOM 1606 C CA . LEU A 1 207 ? 11.130 20.401 23.741 1.00 8.26 ? 207 LEU A CA 1 ATOM 1607 C C . LEU A 1 207 ? 12.312 20.708 24.685 1.00 9.39 ? 207 LEU A C 1 ATOM 1608 O O . LEU A 1 207 ? 13.226 21.479 24.352 1.00 9.45 ? 207 LEU A O 1 ATOM 1609 C CB . LEU A 1 207 ? 11.490 19.246 22.808 1.00 7.27 ? 207 LEU A CB 1 ATOM 1610 C CG . LEU A 1 207 ? 10.431 19.034 21.685 1.00 7.81 ? 207 LEU A CG 1 ATOM 1611 C CD1 . LEU A 1 207 ? 10.902 17.853 20.830 1.00 8.88 ? 207 LEU A CD1 1 ATOM 1612 C CD2 . LEU A 1 207 ? 9.009 18.691 22.175 1.00 8.99 ? 207 LEU A CD2 1 ATOM 1613 N N . GLY A 1 208 ? 12.345 20.005 25.824 1.00 8.31 ? 208 GLY A N 1 ATOM 1614 C CA . GLY A 1 208 ? 13.462 20.141 26.742 1.00 9.06 ? 208 GLY A CA 1 ATOM 1615 C C . GLY A 1 208 ? 13.264 21.249 27.768 1.00 8.41 ? 208 GLY A C 1 ATOM 1616 O O . GLY A 1 208 ? 13.760 22.386 27.563 1.00 8.16 ? 208 GLY A O 1 ATOM 1617 N N . LEU A 1 209 ? 12.573 21.005 28.853 1.00 10.05 ? 209 LEU A N 1 ATOM 1618 C CA . LEU A 1 209 ? 12.284 22.040 29.876 1.00 10.21 ? 209 LEU A CA 1 ATOM 1619 C C . LEU A 1 209 ? 12.062 21.331 31.194 1.00 11.76 ? 209 LEU A C 1 ATOM 1620 O O . LEU A 1 209 ? 11.154 20.502 31.300 1.00 11.22 ? 209 LEU A O 1 ATOM 1621 C CB . LEU A 1 209 ? 11.052 22.849 29.374 1.00 11.17 ? 209 LEU A CB 1 ATOM 1622 C CG . LEU A 1 209 ? 10.658 24.041 30.282 1.00 9.89 ? 209 LEU A CG 1 ATOM 1623 C CD1 . LEU A 1 209 ? 11.776 25.029 30.540 1.00 10.22 ? 209 LEU A CD1 1 ATOM 1624 C CD2 . LEU A 1 209 ? 9.454 24.760 29.667 1.00 11.35 ? 209 LEU A CD2 1 ATOM 1625 N N . SER A 1 210 ? 12.897 21.674 32.208 1.00 10.83 ? 210 SER A N 1 ATOM 1626 C CA . SER A 1 210 ? 12.898 20.869 33.441 1.00 11.82 ? 210 SER A CA 1 ATOM 1627 C C . SER A 1 210 ? 11.806 21.197 34.420 1.00 12.15 ? 210 SER A C 1 ATOM 1628 O O . SER A 1 210 ? 11.683 20.533 35.491 1.00 14.41 ? 210 SER A O 1 ATOM 1629 C CB . SER A 1 210 ? 14.316 21.007 34.076 1.00 13.31 ? 210 SER A CB 1 ATOM 1630 O OG . SER A 1 210 ? 15.250 20.289 33.218 1.00 12.74 ? 210 SER A OG 1 ATOM 1631 N N . THR A 1 211 ? 11.005 22.233 34.149 1.00 13.68 ? 211 THR A N 1 ATOM 1632 C CA . THR A 1 211 ? 9.942 22.609 35.066 1.00 13.89 ? 211 THR A CA 1 ATOM 1633 C C . THR A 1 211 ? 8.615 21.896 34.829 1.00 14.52 ? 211 THR A C 1 ATOM 1634 O O . THR A 1 211 ? 7.589 22.229 35.451 1.00 17.02 ? 211 THR A O 1 ATOM 1635 C CB . THR A 1 211 ? 9.711 24.123 34.939 1.00 13.54 ? 211 THR A CB 1 ATOM 1636 O OG1 . THR A 1 211 ? 9.482 24.409 33.539 1.00 13.37 ? 211 THR A OG1 1 ATOM 1637 C CG2 . THR A 1 211 ? 10.904 24.915 35.457 1.00 13.94 ? 211 THR A CG2 1 ATOM 1638 N N . GLY A 1 212 ? 8.581 20.902 33.947 1.00 14.27 ? 212 GLY A N 1 ATOM 1639 C CA . GLY A 1 212 ? 7.432 20.106 33.595 1.00 15.35 ? 212 GLY A CA 1 ATOM 1640 C C . GLY A 1 212 ? 7.190 18.863 34.435 1.00 15.69 ? 212 GLY A C 1 ATOM 1641 O O . GLY A 1 212 ? 7.691 18.819 35.571 1.00 16.37 ? 212 GLY A O 1 ATOM 1642 N N . ASP A 1 213 ? 6.442 17.902 33.878 1.00 14.22 ? 213 ASP A N 1 ATOM 1643 C CA . ASP A 1 213 ? 6.092 16.699 34.650 1.00 15.76 ? 213 ASP A CA 1 ATOM 1644 C C . ASP A 1 213 ? 6.883 15.472 34.235 1.00 15.54 ? 213 ASP A C 1 ATOM 1645 O O . ASP A 1 213 ? 6.488 14.357 34.553 1.00 17.54 ? 213 ASP A O 1 ATOM 1646 C CB . ASP A 1 213 ? 4.604 16.460 34.499 1.00 17.00 ? 213 ASP A CB 1 ATOM 1647 C CG . ASP A 1 213 ? 4.172 16.002 33.114 1.00 17.84 ? 213 ASP A CG 1 ATOM 1648 O OD1 . ASP A 1 213 ? 4.972 16.043 32.151 1.00 14.50 ? 213 ASP A OD1 1 ATOM 1649 O OD2 . ASP A 1 213 ? 2.996 15.602 32.959 1.00 21.44 ? 213 ASP A OD2 1 ATOM 1650 N N . GLY A 1 214 ? 7.975 15.682 33.499 1.00 14.73 ? 214 GLY A N 1 ATOM 1651 C CA . GLY A 1 214 ? 8.805 14.517 33.119 1.00 14.96 ? 214 GLY A CA 1 ATOM 1652 C C . GLY A 1 214 ? 8.279 13.763 31.928 1.00 13.07 ? 214 GLY A C 1 ATOM 1653 O O . GLY A 1 214 ? 8.889 12.735 31.561 1.00 15.00 ? 214 GLY A O 1 ATOM 1654 N N . ALA A 1 215 ? 7.195 14.155 31.260 1.00 12.95 ? 215 ALA A N 1 ATOM 1655 C CA . ALA A 1 215 ? 6.792 13.471 30.030 1.00 12.65 ? 215 ALA A CA 1 ATOM 1656 C C . ALA A 1 215 ? 7.898 13.657 28.996 1.00 11.53 ? 215 ALA A C 1 ATOM 1657 O O . ALA A 1 215 ? 8.631 14.642 29.059 1.00 10.92 ? 215 ALA A O 1 ATOM 1658 C CB . ALA A 1 215 ? 5.473 14.055 29.499 1.00 11.67 ? 215 ALA A CB 1 ATOM 1659 N N . TYR A 1 216 ? 7.943 12.771 27.984 1.00 11.09 ? 216 TYR A N 1 ATOM 1660 C CA . TYR A 1 216 ? 8.972 12.850 26.961 1.00 11.58 ? 216 TYR A CA 1 ATOM 1661 C C . TYR A 1 216 ? 9.202 14.224 26.363 1.00 11.25 ? 216 TYR A C 1 ATOM 1662 O O . TYR A 1 216 ? 10.390 14.606 26.244 1.00 11.42 ? 216 TYR A O 1 ATOM 1663 C CB . TYR A 1 216 ? 8.854 11.717 25.901 1.00 11.44 ? 216 TYR A CB 1 ATOM 1664 C CG . TYR A 1 216 ? 10.054 11.762 24.966 1.00 11.66 ? 216 TYR A CG 1 ATOM 1665 C CD1 . TYR A 1 216 ? 11.327 11.362 25.372 1.00 12.06 ? 216 TYR A CD1 1 ATOM 1666 C CD2 . TYR A 1 216 ? 9.916 12.114 23.636 1.00 14.57 ? 216 TYR A CD2 1 ATOM 1667 C CE1 . TYR A 1 216 ? 12.389 11.400 24.507 1.00 13.65 ? 216 TYR A CE1 1 ATOM 1668 C CE2 . TYR A 1 216 ? 10.984 12.190 22.758 1.00 15.14 ? 216 TYR A CE2 1 ATOM 1669 C CZ . TYR A 1 216 ? 12.237 11.813 23.191 1.00 13.62 ? 216 TYR A CZ 1 ATOM 1670 O OH . TYR A 1 216 ? 13.324 11.810 22.351 1.00 13.81 ? 216 TYR A OH 1 ATOM 1671 N N . PRO A 1 217 ? 8.207 15.051 26.019 1.00 9.73 ? 217 PRO A N 1 ATOM 1672 C CA . PRO A 1 217 ? 8.479 16.347 25.441 1.00 8.86 ? 217 PRO A CA 1 ATOM 1673 C C . PRO A 1 217 ? 9.260 17.240 26.400 1.00 8.70 ? 217 PRO A C 1 ATOM 1674 O O . PRO A 1 217 ? 9.925 18.167 25.875 1.00 9.80 ? 217 PRO A O 1 ATOM 1675 C CB . PRO A 1 217 ? 7.082 16.905 25.121 1.00 7.88 ? 217 PRO A CB 1 ATOM 1676 C CG . PRO A 1 217 ? 6.193 15.676 24.984 1.00 10.04 ? 217 PRO A CG 1 ATOM 1677 C CD . PRO A 1 217 ? 6.769 14.697 26.001 1.00 10.35 ? 217 PRO A CD 1 ATOM 1678 N N . TYR A 1 218 ? 9.183 17.078 27.731 1.00 9.45 ? 218 TYR A N 1 ATOM 1679 C CA . TYR A 1 218 ? 10.015 17.926 28.602 1.00 9.73 ? 218 TYR A CA 1 ATOM 1680 C C . TYR A 1 218 ? 11.438 17.393 28.765 1.00 9.55 ? 218 TYR A C 1 ATOM 1681 O O . TYR A 1 218 ? 12.261 18.112 29.310 1.00 10.56 ? 218 TYR A O 1 ATOM 1682 C CB . TYR A 1 218 ? 9.338 17.896 29.991 1.00 10.04 ? 218 TYR A CB 1 ATOM 1683 C CG . TYR A 1 218 ? 8.091 18.778 30.155 1.00 10.84 ? 218 TYR A CG 1 ATOM 1684 C CD1 . TYR A 1 218 ? 8.192 20.158 30.088 1.00 10.55 ? 218 TYR A CD1 1 ATOM 1685 C CD2 . TYR A 1 218 ? 6.850 18.212 30.417 1.00 9.94 ? 218 TYR A CD2 1 ATOM 1686 C CE1 . TYR A 1 218 ? 7.066 20.972 30.267 1.00 10.77 ? 218 TYR A CE1 1 ATOM 1687 C CE2 . TYR A 1 218 ? 5.717 18.992 30.595 1.00 11.01 ? 218 TYR A CE2 1 ATOM 1688 C CZ . TYR A 1 218 ? 5.841 20.374 30.499 1.00 10.84 ? 218 TYR A CZ 1 ATOM 1689 O OH . TYR A 1 218 ? 4.720 21.168 30.694 1.00 12.21 ? 218 TYR A OH 1 ATOM 1690 N N . THR A 1 219 ? 11.710 16.162 28.335 1.00 9.40 ? 219 THR A N 1 ATOM 1691 C CA . THR A 1 219 ? 13.062 15.630 28.520 1.00 10.05 ? 219 THR A CA 1 ATOM 1692 C C . THR A 1 219 ? 13.959 16.082 27.380 1.00 10.08 ? 219 THR A C 1 ATOM 1693 O O . THR A 1 219 ? 13.529 16.878 26.536 1.00 10.47 ? 219 THR A O 1 ATOM 1694 C CB . THR A 1 219 ? 13.020 14.094 28.608 1.00 11.03 ? 219 THR A CB 1 ATOM 1695 O OG1 A THR A 1 219 ? 12.668 13.562 27.327 0.50 8.93 ? 219 THR A OG1 1 ATOM 1696 O OG1 B THR A 1 219 ? 14.135 13.721 29.378 0.50 17.03 ? 219 THR A OG1 1 ATOM 1697 C CG2 A THR A 1 219 ? 12.112 13.512 29.661 0.50 8.52 ? 219 THR A CG2 1 ATOM 1698 C CG2 B THR A 1 219 ? 12.972 13.515 27.219 0.50 9.72 ? 219 THR A CG2 1 ATOM 1699 N N . TYR A 1 220 ? 15.206 15.585 27.380 1.00 10.43 ? 220 TYR A N 1 ATOM 1700 C CA . TYR A 1 220 ? 16.240 16.088 26.447 1.00 10.44 ? 220 TYR A CA 1 ATOM 1701 C C . TYR A 1 220 ? 16.683 15.034 25.478 1.00 11.89 ? 220 TYR A C 1 ATOM 1702 O O . TYR A 1 220 ? 17.883 14.775 25.278 1.00 13.66 ? 220 TYR A O 1 ATOM 1703 C CB . TYR A 1 220 ? 17.406 16.644 27.309 1.00 10.93 ? 220 TYR A CB 1 ATOM 1704 C CG . TYR A 1 220 ? 16.961 17.774 28.229 1.00 11.08 ? 220 TYR A CG 1 ATOM 1705 C CD1 . TYR A 1 220 ? 16.831 19.077 27.741 1.00 10.97 ? 220 TYR A CD1 1 ATOM 1706 C CD2 . TYR A 1 220 ? 16.600 17.558 29.563 1.00 12.00 ? 220 TYR A CD2 1 ATOM 1707 C CE1 . TYR A 1 220 ? 16.413 20.115 28.541 1.00 10.42 ? 220 TYR A CE1 1 ATOM 1708 C CE2 . TYR A 1 220 ? 16.122 18.597 30.366 1.00 11.23 ? 220 TYR A CE2 1 ATOM 1709 C CZ . TYR A 1 220 ? 16.075 19.898 29.860 1.00 11.27 ? 220 TYR A CZ 1 ATOM 1710 O OH . TYR A 1 220 ? 15.679 20.942 30.654 1.00 12.52 ? 220 TYR A OH 1 ATOM 1711 N N . GLY A 1 221 ? 15.740 14.427 24.744 1.00 10.36 ? 221 GLY A N 1 ATOM 1712 C CA . GLY A 1 221 ? 16.099 13.443 23.746 1.00 10.31 ? 221 GLY A CA 1 ATOM 1713 C C . GLY A 1 221 ? 16.187 13.962 22.311 1.00 9.58 ? 221 GLY A C 1 ATOM 1714 O O . GLY A 1 221 ? 16.548 13.172 21.438 1.00 10.73 ? 221 GLY A O 1 ATOM 1715 N N . GLU A 1 222 ? 15.768 15.216 22.109 1.00 10.46 ? 222 GLU A N 1 ATOM 1716 C CA . GLU A 1 222 ? 15.652 15.725 20.748 1.00 9.95 ? 222 GLU A CA 1 ATOM 1717 C C . GLU A 1 222 ? 16.617 16.878 20.524 1.00 9.86 ? 222 GLU A C 1 ATOM 1718 O O . GLU A 1 222 ? 16.456 17.650 19.567 1.00 10.39 ? 222 GLU A O 1 ATOM 1719 C CB . GLU A 1 222 ? 14.209 16.164 20.372 1.00 9.15 ? 222 GLU A CB 1 ATOM 1720 C CG . GLU A 1 222 ? 13.231 14.999 20.490 1.00 9.61 ? 222 GLU A CG 1 ATOM 1721 C CD . GLU A 1 222 ? 13.536 13.838 19.559 1.00 10.75 ? 222 GLU A CD 1 ATOM 1722 O OE1 . GLU A 1 222 ? 14.257 14.047 18.561 1.00 10.73 ? 222 GLU A OE1 1 ATOM 1723 O OE2 . GLU A 1 222 ? 13.073 12.698 19.849 1.00 13.11 ? 222 GLU A OE2 1 ATOM 1724 N N . GLY A 1 223 ? 17.658 16.982 21.383 1.00 9.63 ? 223 GLY A N 1 ATOM 1725 C CA . GLY A 1 223 ? 18.714 17.978 21.164 1.00 10.97 ? 223 GLY A CA 1 ATOM 1726 C C . GLY A 1 223 ? 18.361 19.421 21.459 1.00 9.42 ? 223 GLY A C 1 ATOM 1727 O O . GLY A 1 223 ? 19.159 20.301 21.072 1.00 10.66 ? 223 GLY A O 1 ATOM 1728 N N . THR A 1 224 ? 17.229 19.691 22.088 1.00 8.89 ? 224 THR A N 1 ATOM 1729 C CA . THR A 1 224 ? 16.888 21.108 22.375 1.00 8.11 ? 224 THR A CA 1 ATOM 1730 C C . THR A 1 224 ? 16.711 21.316 23.859 1.00 8.72 ? 224 THR A C 1 ATOM 1731 O O . THR A 1 224 ? 16.230 20.444 24.588 1.00 9.02 ? 224 THR A O 1 ATOM 1732 C CB . THR A 1 224 ? 15.612 21.606 21.649 1.00 8.04 ? 224 THR A CB 1 ATOM 1733 O OG1 . THR A 1 224 ? 14.482 20.772 21.970 1.00 8.83 ? 224 THR A OG1 1 ATOM 1734 C CG2 . THR A 1 224 ? 15.874 21.526 20.135 1.00 9.31 ? 224 THR A CG2 1 ATOM 1735 N N . ASP A 1 225 ? 17.145 22.484 24.362 1.00 8.35 ? 225 ASP A N 1 ATOM 1736 C CA . ASP A 1 225 ? 16.968 22.923 25.743 1.00 9.84 ? 225 ASP A CA 1 ATOM 1737 C C . ASP A 1 225 ? 16.312 24.305 25.615 1.00 9.57 ? 225 ASP A C 1 ATOM 1738 O O . ASP A 1 225 ? 16.992 25.277 25.258 1.00 10.00 ? 225 ASP A O 1 ATOM 1739 C CB . ASP A 1 225 ? 18.334 22.932 26.425 1.00 11.28 ? 225 ASP A CB 1 ATOM 1740 C CG . ASP A 1 225 ? 18.297 23.335 27.885 1.00 12.06 ? 225 ASP A CG 1 ATOM 1741 O OD1 . ASP A 1 225 ? 17.503 24.238 28.250 1.00 15.04 ? 225 ASP A OD1 1 ATOM 1742 O OD2 . ASP A 1 225 ? 19.082 22.775 28.706 1.00 13.14 ? 225 ASP A OD2 1 ATOM 1743 N N . PHE A 1 226 ? 15.017 24.357 25.931 1.00 8.46 ? 226 PHE A N 1 ATOM 1744 C CA . PHE A 1 226 ? 14.250 25.596 25.752 1.00 8.76 ? 226 PHE A CA 1 ATOM 1745 C C . PHE A 1 226 ? 14.819 26.784 26.499 1.00 10.84 ? 226 PHE A C 1 ATOM 1746 O O . PHE A 1 226 ? 14.953 27.880 25.927 1.00 11.08 ? 226 PHE A O 1 ATOM 1747 C CB . PHE A 1 226 ? 12.784 25.367 26.145 1.00 9.53 ? 226 PHE A CB 1 ATOM 1748 C CG . PHE A 1 226 ? 11.868 26.506 25.776 1.00 8.42 ? 226 PHE A CG 1 ATOM 1749 C CD1 . PHE A 1 226 ? 11.540 26.685 24.430 1.00 8.55 ? 226 PHE A CD1 1 ATOM 1750 C CD2 . PHE A 1 226 ? 11.384 27.368 26.737 1.00 9.04 ? 226 PHE A CD2 1 ATOM 1751 C CE1 . PHE A 1 226 ? 10.691 27.720 24.069 1.00 9.23 ? 226 PHE A CE1 1 ATOM 1752 C CE2 . PHE A 1 226 ? 10.522 28.422 26.365 1.00 10.13 ? 226 PHE A CE2 1 ATOM 1753 C CZ . PHE A 1 226 ? 10.179 28.584 25.024 1.00 11.10 ? 226 PHE A CZ 1 ATOM 1754 N N . ALA A 1 227 ? 15.167 26.574 27.767 1.00 10.22 ? 227 ALA A N 1 ATOM 1755 C CA . ALA A 1 227 ? 15.679 27.695 28.564 1.00 11.32 ? 227 ALA A CA 1 ATOM 1756 C C . ALA A 1 227 ? 17.039 28.163 28.044 1.00 12.44 ? 227 ALA A C 1 ATOM 1757 O O . ALA A 1 227 ? 17.336 29.390 28.016 1.00 15.90 ? 227 ALA A O 1 ATOM 1758 C CB . ALA A 1 227 ? 15.757 27.332 30.023 1.00 13.78 ? 227 ALA A CB 1 ATOM 1759 N N . LYS A 1 228 ? 17.904 27.262 27.566 1.00 11.43 ? 228 LYS A N 1 ATOM 1760 C CA . LYS A 1 228 ? 19.178 27.726 27.011 1.00 12.27 ? 228 LYS A CA 1 ATOM 1761 C C . LYS A 1 228 ? 18.922 28.483 25.699 1.00 12.20 ? 228 LYS A C 1 ATOM 1762 O O . LYS A 1 228 ? 19.550 29.511 25.421 1.00 14.27 ? 228 LYS A O 1 ATOM 1763 C CB . LYS A 1 228 ? 20.153 26.580 26.759 1.00 12.82 ? 228 LYS A CB 1 ATOM 1764 C CG . LYS A 1 228 ? 20.673 25.930 28.043 1.00 16.39 ? 228 LYS A CG 1 ATOM 1765 C CD . LYS A 1 228 ? 21.781 24.926 27.689 1.00 20.44 ? 228 LYS A CD 1 ATOM 1766 C CE . LYS A 1 228 ? 22.250 24.175 28.929 1.00 25.65 ? 228 LYS A CE 1 ATOM 1767 N NZ . LYS A 1 228 ? 23.016 25.049 29.847 1.00 29.99 ? 228 LYS A NZ 1 ATOM 1768 N N . ASN A 1 229 ? 17.986 27.977 24.865 1.00 10.88 ? 229 ASN A N 1 ATOM 1769 C CA . ASN A 1 229 ? 17.747 28.632 23.605 1.00 10.54 ? 229 ASN A CA 1 ATOM 1770 C C . ASN A 1 229 ? 17.150 30.036 23.749 1.00 11.56 ? 229 ASN A C 1 ATOM 1771 O O . ASN A 1 229 ? 17.597 30.951 23.022 1.00 10.94 ? 229 ASN A O 1 ATOM 1772 C CB . ASN A 1 229 ? 16.771 27.804 22.726 1.00 9.80 ? 229 ASN A CB 1 ATOM 1773 C CG . ASN A 1 229 ? 17.371 26.494 22.278 1.00 9.53 ? 229 ASN A CG 1 ATOM 1774 O OD1 . ASN A 1 229 ? 18.599 26.338 22.193 1.00 10.61 ? 229 ASN A OD1 1 ATOM 1775 N ND2 . ASN A 1 229 ? 16.583 25.439 21.972 1.00 11.26 ? 229 ASN A ND2 1 ATOM 1776 N N . VAL A 1 230 ? 16.190 30.193 24.677 1.00 12.73 ? 230 VAL A N 1 ATOM 1777 C CA . VAL A 1 230 ? 15.557 31.524 24.712 1.00 15.10 ? 230 VAL A CA 1 ATOM 1778 C C . VAL A 1 230 ? 16.474 32.596 25.264 1.00 14.96 ? 230 VAL A C 1 ATOM 1779 O O . VAL A 1 230 ? 16.138 33.770 25.065 1.00 16.67 ? 230 VAL A O 1 ATOM 1780 C CB . VAL A 1 230 ? 14.209 31.469 25.431 1.00 17.90 ? 230 VAL A CB 1 ATOM 1781 C CG1 . VAL A 1 230 ? 13.294 30.430 24.813 1.00 21.43 ? 230 VAL A CG1 1 ATOM 1782 C CG2 . VAL A 1 230 ? 14.378 31.177 26.923 1.00 16.11 ? 230 VAL A CG2 1 ATOM 1783 N N . GLN A 1 231 ? 17.556 32.240 25.920 1.00 13.90 ? 231 GLN A N 1 ATOM 1784 C CA . GLN A 1 231 ? 18.529 33.195 26.439 1.00 16.68 ? 231 GLN A CA 1 ATOM 1785 C C . GLN A 1 231 ? 19.504 33.707 25.401 1.00 12.71 ? 231 GLN A C 1 ATOM 1786 O O . GLN A 1 231 ? 20.243 34.697 25.599 1.00 14.78 ? 231 GLN A O 1 ATOM 1787 C CB . GLN A 1 231 ? 19.232 32.583 27.703 1.00 21.79 ? 231 GLN A CB 1 ATOM 1788 C CG A GLN A 1 231 ? 18.106 32.591 28.767 0.50 25.28 ? 231 GLN A CG 1 ATOM 1789 C CG B GLN A 1 231 ? 18.297 32.165 28.811 0.50 26.65 ? 231 GLN A CG 1 ATOM 1790 C CD A GLN A 1 231 ? 18.081 31.456 29.760 0.50 26.55 ? 231 GLN A CD 1 ATOM 1791 C CD B GLN A 1 231 ? 18.902 32.075 30.195 0.50 28.91 ? 231 GLN A CD 1 ATOM 1792 O OE1 A GLN A 1 231 ? 16.996 31.021 30.232 0.50 24.91 ? 231 GLN A OE1 1 ATOM 1793 O OE1 B GLN A 1 231 ? 18.669 31.117 30.955 0.50 30.79 ? 231 GLN A OE1 1 ATOM 1794 N NE2 A GLN A 1 231 ? 19.303 30.984 30.052 0.50 27.55 ? 231 GLN A NE2 1 ATOM 1795 N NE2 B GLN A 1 231 ? 19.673 33.070 30.613 0.50 29.56 ? 231 GLN A NE2 1 ATOM 1796 N N . ILE A 1 232 ? 19.495 33.135 24.184 1.00 11.24 ? 232 ILE A N 1 ATOM 1797 C CA . ILE A 1 232 ? 20.371 33.578 23.100 1.00 9.55 ? 232 ILE A CA 1 ATOM 1798 C C . ILE A 1 232 ? 20.029 35.025 22.761 1.00 10.48 ? 232 ILE A C 1 ATOM 1799 O O . ILE A 1 232 ? 18.851 35.325 22.510 1.00 11.67 ? 232 ILE A O 1 ATOM 1800 C CB . ILE A 1 232 ? 20.237 32.628 21.872 1.00 10.28 ? 232 ILE A CB 1 ATOM 1801 C CG1 . ILE A 1 232 ? 20.757 31.214 22.257 1.00 9.45 ? 232 ILE A CG1 1 ATOM 1802 C CG2 . ILE A 1 232 ? 20.938 33.226 20.663 1.00 9.66 ? 232 ILE A CG2 1 ATOM 1803 C CD1 . ILE A 1 232 ? 20.496 30.188 21.150 1.00 9.85 ? 232 ILE A CD1 1 ATOM 1804 N N . LYS A 1 233 ? 20.992 35.958 22.751 1.00 11.19 ? 233 LYS A N 1 ATOM 1805 C CA . LYS A 1 233 ? 20.717 37.370 22.610 1.00 12.51 ? 233 LYS A CA 1 ATOM 1806 C C . LYS A 1 233 ? 20.093 37.800 21.284 1.00 12.88 ? 233 LYS A C 1 ATOM 1807 O O . LYS A 1 233 ? 19.252 38.711 21.234 1.00 12.45 ? 233 LYS A O 1 ATOM 1808 C CB . LYS A 1 233 ? 22.037 38.218 22.752 1.00 17.19 ? 233 LYS A CB 1 ATOM 1809 C CG . LYS A 1 233 ? 22.773 37.937 24.066 1.00 21.27 ? 233 LYS A CG 1 ATOM 1810 C CD . LYS A 1 233 ? 23.824 39.022 24.287 1.00 26.08 ? 233 LYS A CD 1 ATOM 1811 C CE . LYS A 1 233 ? 24.600 39.514 23.080 1.00 27.27 ? 233 LYS A CE 1 ATOM 1812 N NZ . LYS A 1 233 ? 25.744 40.409 23.571 1.00 29.19 ? 233 LYS A NZ 1 ATOM 1813 N N . SER A 1 234 ? 20.475 37.061 20.229 1.00 11.76 ? 234 SER A N 1 ATOM 1814 C CA . SER A 1 234 ? 19.980 37.344 18.887 1.00 10.68 ? 234 SER A CA 1 ATOM 1815 C C . SER A 1 234 ? 18.685 36.613 18.525 1.00 9.60 ? 234 SER A C 1 ATOM 1816 O O . SER A 1 234 ? 18.298 36.671 17.339 1.00 10.75 ? 234 SER A O 1 ATOM 1817 C CB . SER A 1 234 ? 21.065 37.041 17.863 1.00 11.99 ? 234 SER A CB 1 ATOM 1818 O OG . SER A 1 234 ? 21.757 35.834 18.223 1.00 11.55 ? 234 SER A OG 1 ATOM 1819 N N . LEU A 1 235 ? 18.070 35.952 19.506 1.00 8.82 ? 235 LEU A N 1 ATOM 1820 C CA . LEU A 1 235 ? 16.680 35.459 19.295 1.00 8.76 ? 235 LEU A CA 1 ATOM 1821 C C . LEU A 1 235 ? 15.833 36.404 20.122 1.00 9.02 ? 235 LEU A C 1 ATOM 1822 O O . LEU A 1 235 ? 16.028 36.599 21.335 1.00 11.39 ? 235 LEU A O 1 ATOM 1823 C CB . LEU A 1 235 ? 16.521 33.999 19.745 1.00 7.82 ? 235 LEU A CB 1 ATOM 1824 C CG . LEU A 1 235 ? 17.336 32.944 18.983 1.00 7.51 ? 235 LEU A CG 1 ATOM 1825 C CD1 . LEU A 1 235 ? 17.098 31.555 19.588 1.00 9.97 ? 235 LEU A CD1 1 ATOM 1826 C CD2 . LEU A 1 235 ? 16.991 32.941 17.482 1.00 9.51 ? 235 LEU A CD2 1 ATOM 1827 N N . ASP A 1 236 ? 14.797 37.014 19.511 1.00 8.20 ? 236 ASP A N 1 ATOM 1828 C CA . ASP A 1 236 ? 14.004 38.029 20.196 1.00 7.86 ? 236 ASP A CA 1 ATOM 1829 C C . ASP A 1 236 ? 12.836 37.468 20.998 1.00 8.61 ? 236 ASP A C 1 ATOM 1830 O O . ASP A 1 236 ? 12.335 38.151 21.910 1.00 10.21 ? 236 ASP A O 1 ATOM 1831 C CB . ASP A 1 236 ? 13.492 39.094 19.202 1.00 9.87 ? 236 ASP A CB 1 ATOM 1832 C CG . ASP A 1 236 ? 14.626 39.745 18.492 1.00 10.33 ? 236 ASP A CG 1 ATOM 1833 O OD1 . ASP A 1 236 ? 15.386 40.466 19.188 1.00 15.05 ? 236 ASP A OD1 1 ATOM 1834 O OD2 . ASP A 1 236 ? 14.855 39.582 17.272 1.00 9.28 ? 236 ASP A OD2 1 ATOM 1835 N N . PHE A 1 237 ? 12.356 36.268 20.666 1.00 8.57 ? 237 PHE A N 1 ATOM 1836 C CA . PHE A 1 237 ? 11.223 35.687 21.399 1.00 8.08 ? 237 PHE A CA 1 ATOM 1837 C C . PHE A 1 237 ? 11.300 34.173 21.271 1.00 7.79 ? 237 PHE A C 1 ATOM 1838 O O . PHE A 1 237 ? 11.974 33.725 20.339 1.00 8.41 ? 237 PHE A O 1 ATOM 1839 C CB . PHE A 1 237 ? 9.883 36.231 20.871 1.00 9.36 ? 237 PHE A CB 1 ATOM 1840 C CG . PHE A 1 237 ? 9.597 35.990 19.400 1.00 8.08 ? 237 PHE A CG 1 ATOM 1841 C CD1 . PHE A 1 237 ? 8.861 34.855 19.055 1.00 7.88 ? 237 PHE A CD1 1 ATOM 1842 C CD2 . PHE A 1 237 ? 9.933 36.907 18.414 1.00 8.50 ? 237 PHE A CD2 1 ATOM 1843 C CE1 . PHE A 1 237 ? 8.541 34.625 17.729 1.00 7.90 ? 237 PHE A CE1 1 ATOM 1844 C CE2 . PHE A 1 237 ? 9.586 36.691 17.085 1.00 8.73 ? 237 PHE A CE2 1 ATOM 1845 C CZ . PHE A 1 237 ? 8.856 35.543 16.731 1.00 7.70 ? 237 PHE A CZ 1 ATOM 1846 N N . GLY A 1 238 ? 10.574 33.417 22.098 1.00 7.04 ? 238 GLY A N 1 ATOM 1847 C CA . GLY A 1 238 ? 10.638 31.959 22.004 1.00 8.45 ? 238 GLY A CA 1 ATOM 1848 C C . GLY A 1 238 ? 9.371 31.455 21.312 1.00 8.52 ? 238 GLY A C 1 ATOM 1849 O O . GLY A 1 238 ? 8.358 32.143 21.208 1.00 9.69 ? 238 GLY A O 1 ATOM 1850 N N . THR A 1 239 ? 9.488 30.272 20.712 1.00 7.88 ? 239 THR A N 1 ATOM 1851 C CA . THR A 1 239 ? 8.387 29.570 20.072 1.00 7.19 ? 239 THR A CA 1 ATOM 1852 C C . THR A 1 239 ? 8.195 28.208 20.744 1.00 7.30 ? 239 THR A C 1 ATOM 1853 O O . THR A 1 239 ? 9.155 27.533 21.132 1.00 8.27 ? 239 THR A O 1 ATOM 1854 C CB . THR A 1 239 ? 8.632 29.284 18.575 1.00 7.11 ? 239 THR A CB 1 ATOM 1855 O OG1 . THR A 1 239 ? 9.905 28.654 18.352 1.00 9.12 ? 239 THR A OG1 1 ATOM 1856 C CG2 . THR A 1 239 ? 8.617 30.595 17.756 1.00 8.43 ? 239 THR A CG2 1 ATOM 1857 N N . PHE A 1 240 ? 6.962 27.696 20.762 1.00 7.63 ? 240 PHE A N 1 ATOM 1858 C CA . PHE A 1 240 ? 6.672 26.330 21.167 1.00 7.57 ? 240 PHE A CA 1 ATOM 1859 C C . PHE A 1 240 ? 5.416 25.830 20.459 1.00 8.35 ? 240 PHE A C 1 ATOM 1860 O O . PHE A 1 240 ? 4.597 26.665 19.998 1.00 9.59 ? 240 PHE A O 1 ATOM 1861 C CB . PHE A 1 240 ? 6.596 26.119 22.686 1.00 8.72 ? 240 PHE A CB 1 ATOM 1862 C CG . PHE A 1 240 ? 5.445 26.877 23.346 1.00 7.28 ? 240 PHE A CG 1 ATOM 1863 C CD1 . PHE A 1 240 ? 5.605 28.177 23.807 1.00 9.09 ? 240 PHE A CD1 1 ATOM 1864 C CD2 . PHE A 1 240 ? 4.238 26.237 23.508 1.00 7.94 ? 240 PHE A CD2 1 ATOM 1865 C CE1 . PHE A 1 240 ? 4.541 28.830 24.418 1.00 9.21 ? 240 PHE A CE1 1 ATOM 1866 C CE2 . PHE A 1 240 ? 3.156 26.881 24.131 1.00 9.62 ? 240 PHE A CE2 1 ATOM 1867 C CZ . PHE A 1 240 ? 3.321 28.180 24.598 1.00 9.80 ? 240 PHE A CZ 1 ATOM 1868 N N . HIS A 1 241 ? 5.382 24.513 20.224 1.00 8.75 ? 241 HIS A N 1 ATOM 1869 C CA . HIS A 1 241 ? 4.286 23.880 19.496 1.00 8.67 ? 241 HIS A CA 1 ATOM 1870 C C . HIS A 1 241 ? 3.608 22.817 20.389 1.00 9.02 ? 241 HIS A C 1 ATOM 1871 O O . HIS A 1 241 ? 4.146 22.569 21.459 1.00 10.26 ? 241 HIS A O 1 ATOM 1872 C CB . HIS A 1 241 ? 4.795 23.167 18.217 1.00 8.57 ? 241 HIS A CB 1 ATOM 1873 C CG . HIS A 1 241 ? 5.516 24.032 17.236 1.00 8.25 ? 241 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 241 ? 6.112 23.573 16.088 1.00 9.50 ? 241 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 241 ? 5.768 25.389 17.218 1.00 7.60 ? 241 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 241 ? 6.651 24.565 15.417 1.00 9.44 ? 241 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 241 ? 6.456 25.678 16.071 1.00 7.97 ? 241 HIS A NE2 1 ATOM 1878 N N . LEU A 1 242 ? 2.428 22.301 19.986 1.00 8.33 ? 242 LEU A N 1 ATOM 1879 C CA . LEU A 1 242 ? 1.766 21.375 20.921 1.00 8.97 ? 242 LEU A CA 1 ATOM 1880 C C . LEU A 1 242 ? 0.889 20.371 20.189 1.00 9.25 ? 242 LEU A C 1 ATOM 1881 O O . LEU A 1 242 ? -0.047 20.757 19.473 1.00 8.71 ? 242 LEU A O 1 ATOM 1882 C CB . LEU A 1 242 ? 0.899 22.189 21.901 1.00 10.51 ? 242 LEU A CB 1 ATOM 1883 C CG . LEU A 1 242 ? -0.070 21.363 22.780 1.00 9.84 ? 242 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 242 ? 0.742 20.432 23.692 1.00 9.76 ? 242 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 242 ? -0.857 22.373 23.613 1.00 12.46 ? 242 LEU A CD2 1 ATOM 1886 N N . TYR A 1 243 ? 1.197 19.066 20.291 1.00 10.44 ? 243 TYR A N 1 ATOM 1887 C CA . TYR A 1 243 ? 0.403 18.013 19.652 1.00 10.91 ? 243 TYR A CA 1 ATOM 1888 C C . TYR A 1 243 ? 0.327 16.785 20.531 1.00 11.22 ? 243 TYR A C 1 ATOM 1889 O O . TYR A 1 243 ? 1.022 15.789 20.325 1.00 12.07 ? 243 TYR A O 1 ATOM 1890 C CB . TYR A 1 243 ? 1.047 17.609 18.303 1.00 10.72 ? 243 TYR A CB 1 ATOM 1891 C CG . TYR A 1 243 ? 1.011 18.717 17.238 1.00 9.38 ? 243 TYR A CG 1 ATOM 1892 C CD1 . TYR A 1 243 ? -0.125 18.966 16.486 1.00 10.17 ? 243 TYR A CD1 1 ATOM 1893 C CD2 . TYR A 1 243 ? 2.119 19.518 17.033 1.00 10.25 ? 243 TYR A CD2 1 ATOM 1894 C CE1 . TYR A 1 243 ? -0.175 19.976 15.534 1.00 10.14 ? 243 TYR A CE1 1 ATOM 1895 C CE2 . TYR A 1 243 ? 2.097 20.532 16.096 1.00 10.95 ? 243 TYR A CE2 1 ATOM 1896 C CZ . TYR A 1 243 ? 0.973 20.736 15.328 1.00 10.33 ? 243 TYR A CZ 1 ATOM 1897 O OH . TYR A 1 243 ? 0.958 21.697 14.366 1.00 8.69 ? 243 TYR A OH 1 ATOM 1898 N N . PRO A 1 244 ? -0.633 16.798 21.452 1.00 12.32 ? 244 PRO A N 1 ATOM 1899 C CA . PRO A 1 244 ? -0.782 15.683 22.408 1.00 13.47 ? 244 PRO A CA 1 ATOM 1900 C C . PRO A 1 244 ? -1.033 14.358 21.703 1.00 14.62 ? 244 PRO A C 1 ATOM 1901 O O . PRO A 1 244 ? -0.525 13.338 22.188 1.00 13.93 ? 244 PRO A O 1 ATOM 1902 C CB . PRO A 1 244 ? -1.988 16.119 23.235 1.00 14.98 ? 244 PRO A CB 1 ATOM 1903 C CG . PRO A 1 244 ? -1.907 17.619 23.252 1.00 13.90 ? 244 PRO A CG 1 ATOM 1904 C CD . PRO A 1 244 ? -1.523 17.914 21.817 1.00 12.63 ? 244 PRO A CD 1 ATOM 1905 N N . ASP A 1 245 ? -1.763 14.327 20.580 1.00 15.12 ? 245 ASP A N 1 ATOM 1906 C CA . ASP A 1 245 ? -2.014 13.044 19.897 1.00 19.30 ? 245 ASP A CA 1 ATOM 1907 C C . ASP A 1 245 ? -0.754 12.372 19.397 1.00 21.11 ? 245 ASP A C 1 ATOM 1908 O O . ASP A 1 245 ? -0.579 11.154 19.477 1.00 24.47 ? 245 ASP A O 1 ATOM 1909 C CB . ASP A 1 245 ? -2.848 13.255 18.601 1.00 22.46 ? 245 ASP A CB 1 ATOM 1910 C CG . ASP A 1 245 ? -4.211 13.788 19.001 1.00 25.34 ? 245 ASP A CG 1 ATOM 1911 O OD1 . ASP A 1 245 ? -4.876 13.063 19.749 1.00 29.06 ? 245 ASP A OD1 1 ATOM 1912 O OD2 . ASP A 1 245 ? -4.518 14.901 18.554 1.00 26.89 ? 245 ASP A OD2 1 ATOM 1913 N N . SER A 1 246 ? 0.178 13.137 18.831 1.00 21.18 ? 246 SER A N 1 ATOM 1914 C CA . SER A 1 246 ? 1.438 12.635 18.327 1.00 22.69 ? 246 SER A CA 1 ATOM 1915 C C . SER A 1 246 ? 2.377 12.357 19.486 1.00 21.34 ? 246 SER A C 1 ATOM 1916 O O . SER A 1 246 ? 3.242 11.471 19.376 1.00 24.16 ? 246 SER A O 1 ATOM 1917 C CB . SER A 1 246 ? 2.025 13.729 17.373 1.00 25.75 ? 246 SER A CB 1 ATOM 1918 O OG . SER A 1 246 ? 3.355 13.393 17.048 1.00 30.61 ? 246 SER A OG 1 ATOM 1919 N N . TRP A 1 247 ? 2.264 13.092 20.590 1.00 17.91 ? 247 TRP A N 1 ATOM 1920 C CA . TRP A 1 247 ? 3.216 13.027 21.692 1.00 17.37 ? 247 TRP A CA 1 ATOM 1921 C C . TRP A 1 247 ? 2.852 12.064 22.823 1.00 16.99 ? 247 TRP A C 1 ATOM 1922 O O . TRP A 1 247 ? 3.648 11.853 23.744 1.00 17.97 ? 247 TRP A O 1 ATOM 1923 C CB . TRP A 1 247 ? 3.437 14.437 22.293 1.00 15.55 ? 247 TRP A CB 1 ATOM 1924 C CG . TRP A 1 247 ? 4.017 15.409 21.291 1.00 16.23 ? 247 TRP A CG 1 ATOM 1925 C CD1 . TRP A 1 247 ? 4.461 15.169 20.018 1.00 16.79 ? 247 TRP A CD1 1 ATOM 1926 C CD2 . TRP A 1 247 ? 4.266 16.798 21.554 1.00 14.66 ? 247 TRP A CD2 1 ATOM 1927 N NE1 . TRP A 1 247 ? 4.993 16.317 19.466 1.00 17.77 ? 247 TRP A NE1 1 ATOM 1928 C CE2 . TRP A 1 247 ? 4.855 17.333 20.390 1.00 16.52 ? 247 TRP A CE2 1 ATOM 1929 C CE3 . TRP A 1 247 ? 4.010 17.624 22.645 1.00 13.45 ? 247 TRP A CE3 1 ATOM 1930 C CZ2 . TRP A 1 247 ? 5.219 18.683 20.312 1.00 13.93 ? 247 TRP A CZ2 1 ATOM 1931 C CZ3 . TRP A 1 247 ? 4.393 18.960 22.582 1.00 12.09 ? 247 TRP A CZ3 1 ATOM 1932 C CH2 . TRP A 1 247 ? 5.015 19.454 21.415 1.00 11.77 ? 247 TRP A CH2 1 ATOM 1933 N N . GLY A 1 248 ? 1.691 11.452 22.709 1.00 17.30 ? 248 GLY A N 1 ATOM 1934 C CA . GLY A 1 248 ? 1.242 10.457 23.685 1.00 18.59 ? 248 GLY A CA 1 ATOM 1935 C C . GLY A 1 248 ? 0.807 11.090 24.994 1.00 19.71 ? 248 GLY A C 1 ATOM 1936 O O . GLY A 1 248 ? 0.787 10.419 26.033 1.00 21.97 ? 248 GLY A O 1 ATOM 1937 N N . THR A 1 249 ? 0.398 12.371 24.991 1.00 17.29 ? 249 THR A N 1 ATOM 1938 C CA . THR A 1 249 ? -0.063 12.986 26.233 1.00 15.69 ? 249 THR A CA 1 ATOM 1939 C C . THR A 1 249 ? -1.563 13.253 26.129 1.00 16.84 ? 249 THR A C 1 ATOM 1940 O O . THR A 1 249 ? -2.134 13.205 25.044 1.00 16.98 ? 249 THR A O 1 ATOM 1941 C CB . THR A 1 249 ? 0.691 14.307 26.555 1.00 17.00 ? 249 THR A CB 1 ATOM 1942 O OG1 . THR A 1 249 ? 0.487 15.190 25.452 1.00 17.28 ? 249 THR A OG1 1 ATOM 1943 C CG2 . THR A 1 249 ? 2.176 14.014 26.665 1.00 18.82 ? 249 THR A CG2 1 ATOM 1944 N N . ASN A 1 250 ? -2.213 13.569 27.239 1.00 17.59 ? 250 ASN A N 1 ATOM 1945 C CA . ASN A 1 250 ? -3.659 13.880 27.076 1.00 19.22 ? 250 ASN A CA 1 ATOM 1946 C C . ASN A 1 250 ? -3.792 15.374 26.727 1.00 16.55 ? 250 ASN A C 1 ATOM 1947 O O . ASN A 1 250 ? -2.865 16.164 26.843 1.00 15.89 ? 250 ASN A O 1 ATOM 1948 C CB . ASN A 1 250 ? -4.497 13.482 28.260 1.00 26.59 ? 250 ASN A CB 1 ATOM 1949 C CG . ASN A 1 250 ? -3.989 14.112 29.514 1.00 33.90 ? 250 ASN A CG 1 ATOM 1950 O OD1 . ASN A 1 250 ? -3.677 15.300 29.524 1.00 34.94 ? 250 ASN A OD1 1 ATOM 1951 N ND2 . ASN A 1 250 ? -3.998 13.333 30.634 1.00 40.93 ? 250 ASN A ND2 1 ATOM 1952 N N . TYR A 1 251 ? -4.958 15.761 26.228 1.00 15.74 ? 251 TYR A N 1 ATOM 1953 C CA . TYR A 1 251 ? -5.169 17.141 25.805 1.00 15.58 ? 251 TYR A CA 1 ATOM 1954 C C . TYR A 1 251 ? -5.005 18.151 26.905 1.00 15.16 ? 251 TYR A C 1 ATOM 1955 O O . TYR A 1 251 ? -4.417 19.250 26.750 1.00 14.05 ? 251 TYR A O 1 ATOM 1956 C CB . TYR A 1 251 ? -6.569 17.229 25.159 1.00 16.73 ? 251 TYR A CB 1 ATOM 1957 C CG . TYR A 1 251 ? -6.694 16.477 23.858 1.00 18.34 ? 251 TYR A CG 1 ATOM 1958 C CD1 . TYR A 1 251 ? -5.815 16.581 22.817 1.00 17.86 ? 251 TYR A CD1 1 ATOM 1959 C CD2 . TYR A 1 251 ? -7.755 15.558 23.685 1.00 20.47 ? 251 TYR A CD2 1 ATOM 1960 C CE1 . TYR A 1 251 ? -5.908 15.878 21.641 1.00 17.80 ? 251 TYR A CE1 1 ATOM 1961 C CE2 . TYR A 1 251 ? -7.872 14.869 22.513 1.00 21.34 ? 251 TYR A CE2 1 ATOM 1962 C CZ . TYR A 1 251 ? -6.988 15.019 21.476 1.00 20.04 ? 251 TYR A CZ 1 ATOM 1963 O OH . TYR A 1 251 ? -7.127 14.330 20.288 1.00 19.76 ? 251 TYR A OH 1 ATOM 1964 N N . THR A 1 252 ? -5.435 17.895 28.144 1.00 14.91 ? 252 THR A N 1 ATOM 1965 C CA . THR A 1 252 ? -5.369 18.823 29.260 1.00 16.38 ? 252 THR A CA 1 ATOM 1966 C C . THR A 1 252 ? -3.948 19.057 29.759 1.00 14.53 ? 252 THR A C 1 ATOM 1967 O O . THR A 1 252 ? -3.678 20.158 30.309 1.00 16.99 ? 252 THR A O 1 ATOM 1968 C CB . THR A 1 252 ? -6.255 18.338 30.431 1.00 18.65 ? 252 THR A CB 1 ATOM 1969 O OG1 A THR A 1 252 ? -5.901 16.959 30.709 0.50 16.66 ? 252 THR A OG1 1 ATOM 1970 O OG1 B THR A 1 252 ? -6.819 19.568 30.968 0.50 22.64 ? 252 THR A OG1 1 ATOM 1971 C CG2 A THR A 1 252 ? -7.714 18.336 30.006 0.50 17.03 ? 252 THR A CG2 1 ATOM 1972 C CG2 B THR A 1 252 ? -5.590 17.587 31.549 0.50 19.06 ? 252 THR A CG2 1 ATOM 1973 N N . TRP A 1 253 ? -3.026 18.175 29.398 1.00 13.14 ? 253 TRP A N 1 ATOM 1974 C CA . TRP A 1 253 ? -1.600 18.375 29.690 1.00 12.74 ? 253 TRP A CA 1 ATOM 1975 C C . TRP A 1 253 ? -1.056 19.591 28.943 1.00 12.84 ? 253 TRP A C 1 ATOM 1976 O O . TRP A 1 253 ? -0.058 20.215 29.307 1.00 12.94 ? 253 TRP A O 1 ATOM 1977 C CB . TRP A 1 253 ? -0.883 17.073 29.270 1.00 13.32 ? 253 TRP A CB 1 ATOM 1978 C CG . TRP A 1 253 ? 0.614 17.076 29.295 1.00 12.57 ? 253 TRP A CG 1 ATOM 1979 C CD1 . TRP A 1 253 ? 1.434 16.604 30.298 1.00 14.21 ? 253 TRP A CD1 1 ATOM 1980 C CD2 . TRP A 1 253 ? 1.527 17.441 28.230 1.00 12.07 ? 253 TRP A CD2 1 ATOM 1981 N NE1 . TRP A 1 253 ? 2.760 16.691 29.932 1.00 13.26 ? 253 TRP A NE1 1 ATOM 1982 C CE2 . TRP A 1 253 ? 2.846 17.208 28.661 1.00 12.27 ? 253 TRP A CE2 1 ATOM 1983 C CE3 . TRP A 1 253 ? 1.318 17.964 26.958 1.00 12.35 ? 253 TRP A CE3 1 ATOM 1984 C CZ2 . TRP A 1 253 ? 3.968 17.502 27.886 1.00 12.00 ? 253 TRP A CZ2 1 ATOM 1985 C CZ3 . TRP A 1 253 ? 2.402 18.247 26.144 1.00 11.90 ? 253 TRP A CZ3 1 ATOM 1986 C CH2 . TRP A 1 253 ? 3.710 17.997 26.621 1.00 12.49 ? 253 TRP A CH2 1 ATOM 1987 N N . GLY A 1 254 ? -1.737 19.976 27.847 1.00 10.75 ? 254 GLY A N 1 ATOM 1988 C CA . GLY A 1 254 ? -1.353 21.133 27.053 1.00 11.37 ? 254 GLY A CA 1 ATOM 1989 C C . GLY A 1 254 ? -1.356 22.431 27.858 1.00 11.71 ? 254 GLY A C 1 ATOM 1990 O O . GLY A 1 254 ? -0.565 23.355 27.593 1.00 11.59 ? 254 GLY A O 1 ATOM 1991 N N . ASN A 1 255 ? -2.230 22.587 28.867 1.00 10.99 ? 255 ASN A N 1 ATOM 1992 C CA . ASN A 1 255 ? -2.242 23.847 29.623 1.00 10.73 ? 255 ASN A CA 1 ATOM 1993 C C . ASN A 1 255 ? -0.930 24.024 30.365 1.00 10.25 ? 255 ASN A C 1 ATOM 1994 O O . ASN A 1 255 ? -0.365 25.128 30.366 1.00 11.88 ? 255 ASN A O 1 ATOM 1995 C CB . ASN A 1 255 ? -3.472 23.872 30.574 1.00 13.21 ? 255 ASN A CB 1 ATOM 1996 C CG . ASN A 1 255 ? -4.729 23.814 29.705 1.00 15.76 ? 255 ASN A CG 1 ATOM 1997 O OD1 . ASN A 1 255 ? -5.091 24.735 28.949 1.00 16.18 ? 255 ASN A OD1 1 ATOM 1998 N ND2 . ASN A 1 255 ? -5.408 22.654 29.758 1.00 17.75 ? 255 ASN A ND2 1 ATOM 1999 N N . GLY A 1 256 ? -0.417 23.003 31.039 1.00 11.34 ? 256 GLY A N 1 ATOM 2000 C CA . GLY A 1 256 ? 0.864 23.112 31.765 1.00 12.04 ? 256 GLY A CA 1 ATOM 2001 C C . GLY A 1 256 ? 2.009 23.317 30.783 1.00 10.49 ? 256 GLY A C 1 ATOM 2002 O O . GLY A 1 256 ? 2.928 24.042 31.113 1.00 11.54 ? 256 GLY A O 1 ATOM 2003 N N . TRP A 1 257 ? 1.956 22.737 29.581 1.00 10.89 ? 257 TRP A N 1 ATOM 2004 C CA . TRP A 1 257 ? 2.973 22.960 28.560 1.00 9.72 ? 257 TRP A CA 1 ATOM 2005 C C . TRP A 1 257 ? 3.003 24.439 28.190 1.00 9.32 ? 257 TRP A C 1 ATOM 2006 O O . TRP A 1 257 ? 4.055 25.084 28.116 1.00 10.33 ? 257 TRP A O 1 ATOM 2007 C CB . TRP A 1 257 ? 2.603 22.101 27.342 1.00 10.39 ? 257 TRP A CB 1 ATOM 2008 C CG . TRP A 1 257 ? 3.579 22.164 26.212 1.00 8.89 ? 257 TRP A CG 1 ATOM 2009 C CD1 . TRP A 1 257 ? 3.417 22.838 25.029 1.00 10.25 ? 257 TRP A CD1 1 ATOM 2010 C CD2 . TRP A 1 257 ? 4.872 21.519 26.163 1.00 7.64 ? 257 TRP A CD2 1 ATOM 2011 N NE1 . TRP A 1 257 ? 4.538 22.639 24.234 1.00 8.83 ? 257 TRP A NE1 1 ATOM 2012 C CE2 . TRP A 1 257 ? 5.430 21.834 24.919 1.00 8.35 ? 257 TRP A CE2 1 ATOM 2013 C CE3 . TRP A 1 257 ? 5.586 20.701 27.059 1.00 8.96 ? 257 TRP A CE3 1 ATOM 2014 C CZ2 . TRP A 1 257 ? 6.662 21.369 24.509 1.00 9.54 ? 257 TRP A CZ2 1 ATOM 2015 C CZ3 . TRP A 1 257 ? 6.821 20.242 26.656 1.00 9.29 ? 257 TRP A CZ3 1 ATOM 2016 C CH2 . TRP A 1 257 ? 7.358 20.575 25.396 1.00 9.01 ? 257 TRP A CH2 1 ATOM 2017 N N . ILE A 1 258 ? 1.841 25.083 28.051 1.00 9.59 ? 258 ILE A N 1 ATOM 2018 C CA . ILE A 1 258 ? 1.816 26.525 27.761 1.00 9.12 ? 258 ILE A CA 1 ATOM 2019 C C . ILE A 1 258 ? 2.388 27.287 28.954 1.00 8.84 ? 258 ILE A C 1 ATOM 2020 O O . ILE A 1 258 ? 3.174 28.240 28.776 1.00 9.78 ? 258 ILE A O 1 ATOM 2021 C CB . ILE A 1 258 ? 0.361 26.992 27.476 1.00 9.80 ? 258 ILE A CB 1 ATOM 2022 C CG1 . ILE A 1 258 ? -0.177 26.354 26.163 1.00 9.73 ? 258 ILE A CG1 1 ATOM 2023 C CG2 . ILE A 1 258 ? 0.299 28.507 27.381 1.00 9.85 ? 258 ILE A CG2 1 ATOM 2024 C CD1 . ILE A 1 258 ? -1.712 26.274 26.111 1.00 11.15 ? 258 ILE A CD1 1 ATOM 2025 N N . GLN A 1 259 ? 1.895 27.015 30.181 1.00 9.31 ? 259 GLN A N 1 ATOM 2026 C CA . GLN A 1 259 ? 2.347 27.741 31.368 1.00 10.48 ? 259 GLN A CA 1 ATOM 2027 C C . GLN A 1 259 ? 3.852 27.639 31.595 1.00 9.94 ? 259 GLN A C 1 ATOM 2028 O O . GLN A 1 259 ? 4.463 28.682 31.902 1.00 10.90 ? 259 GLN A O 1 ATOM 2029 C CB . GLN A 1 259 ? 1.591 27.262 32.627 1.00 12.92 ? 259 GLN A CB 1 ATOM 2030 C CG . GLN A 1 259 ? 0.103 27.578 32.514 1.00 14.81 ? 259 GLN A CG 1 ATOM 2031 C CD . GLN A 1 259 ? -0.682 26.839 33.595 1.00 18.74 ? 259 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 259 ? -0.445 25.698 33.991 1.00 20.84 ? 259 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 259 ? -1.659 27.611 34.084 1.00 20.90 ? 259 GLN A NE2 1 ATOM 2034 N N . THR A 1 260 ? 4.422 26.410 31.510 1.00 10.07 ? 260 THR A N 1 ATOM 2035 C CA . THR A 1 260 ? 5.871 26.323 31.759 1.00 10.53 ? 260 THR A CA 1 ATOM 2036 C C . THR A 1 260 ? 6.679 27.071 30.721 1.00 10.12 ? 260 THR A C 1 ATOM 2037 O O . THR A 1 260 ? 7.712 27.694 31.053 1.00 10.62 ? 260 THR A O 1 ATOM 2038 C CB . THR A 1 260 ? 6.345 24.859 31.829 1.00 11.67 ? 260 THR A CB 1 ATOM 2039 O OG1 . THR A 1 260 ? 5.920 24.184 30.619 1.00 11.22 ? 260 THR A OG1 1 ATOM 2040 C CG2 . THR A 1 260 ? 5.753 24.118 33.039 1.00 13.67 ? 260 THR A CG2 1 ATOM 2041 N N . HIS A 1 261 ? 6.277 27.045 29.455 1.00 9.68 ? 261 HIS A N 1 ATOM 2042 C CA . HIS A 1 261 ? 7.019 27.764 28.407 1.00 9.28 ? 261 HIS A CA 1 ATOM 2043 C C . HIS A 1 261 ? 6.889 29.273 28.617 1.00 9.55 ? 261 HIS A C 1 ATOM 2044 O O . HIS A 1 261 ? 7.880 30.014 28.507 1.00 10.21 ? 261 HIS A O 1 ATOM 2045 C CB . HIS A 1 261 ? 6.590 27.318 26.995 1.00 8.63 ? 261 HIS A CB 1 ATOM 2046 C CG . HIS A 1 261 ? 7.161 25.959 26.721 1.00 8.57 ? 261 HIS A CG 1 ATOM 2047 N ND1 . HIS A 1 261 ? 6.562 24.795 27.170 1.00 9.58 ? 261 HIS A ND1 1 ATOM 2048 C CD2 . HIS A 1 261 ? 8.291 25.592 26.033 1.00 8.96 ? 261 HIS A CD2 1 ATOM 2049 C CE1 . HIS A 1 261 ? 7.317 23.749 26.788 1.00 8.52 ? 261 HIS A CE1 1 ATOM 2050 N NE2 . HIS A 1 261 ? 8.339 24.210 26.086 1.00 8.43 ? 261 HIS A NE2 1 ATOM 2051 N N . ALA A 1 262 ? 5.648 29.728 28.856 1.00 8.85 ? 262 ALA A N 1 ATOM 2052 C CA . ALA A 1 262 ? 5.445 31.153 29.106 1.00 9.91 ? 262 ALA A CA 1 ATOM 2053 C C . ALA A 1 262 ? 6.352 31.663 30.236 1.00 10.75 ? 262 ALA A C 1 ATOM 2054 O O . ALA A 1 262 ? 6.940 32.785 30.115 1.00 10.66 ? 262 ALA A O 1 ATOM 2055 C CB . ALA A 1 262 ? 4.018 31.514 29.463 1.00 10.11 ? 262 ALA A CB 1 ATOM 2056 N N . ALA A 1 263 ? 6.422 30.875 31.306 1.00 9.67 ? 263 ALA A N 1 ATOM 2057 C CA . ALA A 1 263 ? 7.266 31.325 32.449 1.00 8.49 ? 263 ALA A CA 1 ATOM 2058 C C . ALA A 1 263 ? 8.728 31.339 32.066 1.00 10.23 ? 263 ALA A C 1 ATOM 2059 O O . ALA A 1 263 ? 9.472 32.201 32.545 1.00 11.78 ? 263 ALA A O 1 ATOM 2060 C CB . ALA A 1 263 ? 7.031 30.385 33.627 1.00 10.78 ? 263 ALA A CB 1 ATOM 2061 N N . ALA A 1 264 ? 9.217 30.446 31.198 1.00 10.69 ? 264 ALA A N 1 ATOM 2062 C CA . ALA A 1 264 ? 10.611 30.439 30.807 1.00 9.21 ? 264 ALA A CA 1 ATOM 2063 C C . ALA A 1 264 ? 10.899 31.643 29.886 1.00 8.29 ? 264 ALA A C 1 ATOM 2064 O O . ALA A 1 264 ? 11.952 32.313 30.011 1.00 10.10 ? 264 ALA A O 1 ATOM 2065 C CB . ALA A 1 264 ? 10.911 29.094 30.137 1.00 9.55 ? 264 ALA A CB 1 ATOM 2066 N N . CYS A 1 265 ? 9.949 32.000 29.022 1.00 9.07 ? 265 CYS A N 1 ATOM 2067 C CA . CYS A 1 265 ? 10.121 33.186 28.203 1.00 9.92 ? 265 CYS A CA 1 ATOM 2068 C C . CYS A 1 265 ? 10.205 34.427 29.112 1.00 10.04 ? 265 CYS A C 1 ATOM 2069 O O . CYS A 1 265 ? 11.143 35.249 28.985 1.00 11.41 ? 265 CYS A O 1 ATOM 2070 C CB . CYS A 1 265 ? 8.936 33.348 27.215 1.00 10.48 ? 265 CYS A CB 1 ATOM 2071 S SG . CYS A 1 265 ? 9.130 32.345 25.713 1.00 9.76 ? 265 CYS A SG 1 ATOM 2072 N N . LEU A 1 266 ? 9.254 34.572 30.031 1.00 10.06 ? 266 LEU A N 1 ATOM 2073 C CA . LEU A 1 266 ? 9.261 35.749 30.922 1.00 9.45 ? 266 LEU A CA 1 ATOM 2074 C C . LEU A 1 266 ? 10.478 35.785 31.828 1.00 10.80 ? 266 LEU A C 1 ATOM 2075 O O . LEU A 1 266 ? 10.980 36.916 32.051 1.00 10.62 ? 266 LEU A O 1 ATOM 2076 C CB . LEU A 1 266 ? 7.985 35.664 31.740 1.00 11.12 ? 266 LEU A CB 1 ATOM 2077 C CG . LEU A 1 266 ? 7.764 36.836 32.733 1.00 11.14 ? 266 LEU A CG 1 ATOM 2078 C CD1 . LEU A 1 266 ? 7.766 38.198 32.043 1.00 13.37 ? 266 LEU A CD1 1 ATOM 2079 C CD2 . LEU A 1 266 ? 6.443 36.596 33.465 1.00 13.45 ? 266 LEU A CD2 1 ATOM 2080 N N . ALA A 1 267 ? 11.040 34.639 32.217 1.00 10.87 ? 267 ALA A N 1 ATOM 2081 C CA . ALA A 1 267 ? 12.262 34.664 33.032 1.00 11.43 ? 267 ALA A CA 1 ATOM 2082 C C . ALA A 1 267 ? 13.434 35.174 32.219 1.00 11.69 ? 267 ALA A C 1 ATOM 2083 O O . ALA A 1 267 ? 14.427 35.712 32.766 1.00 13.48 ? 267 ALA A O 1 ATOM 2084 C CB . ALA A 1 267 ? 12.560 33.308 33.668 1.00 12.18 ? 267 ALA A CB 1 ATOM 2085 N N . ALA A 1 268 ? 13.395 34.996 30.905 1.00 10.98 ? 268 ALA A N 1 ATOM 2086 C CA . ALA A 1 268 ? 14.385 35.486 29.975 1.00 10.04 ? 268 ALA A CA 1 ATOM 2087 C C . ALA A 1 268 ? 14.079 36.913 29.495 1.00 10.01 ? 268 ALA A C 1 ATOM 2088 O O . ALA A 1 268 ? 14.782 37.479 28.636 1.00 12.58 ? 268 ALA A O 1 ATOM 2089 C CB . ALA A 1 268 ? 14.537 34.541 28.781 1.00 10.77 ? 268 ALA A CB 1 ATOM 2090 N N . GLY A 1 269 ? 12.991 37.507 29.966 1.00 9.02 ? 269 GLY A N 1 ATOM 2091 C CA . GLY A 1 269 ? 12.581 38.843 29.654 1.00 8.64 ? 269 GLY A CA 1 ATOM 2092 C C . GLY A 1 269 ? 11.978 39.096 28.272 1.00 9.61 ? 269 GLY A C 1 ATOM 2093 O O . GLY A 1 269 ? 11.974 40.256 27.792 1.00 10.78 ? 269 GLY A O 1 ATOM 2094 N N . LYS A 1 270 ? 11.460 38.016 27.675 1.00 10.12 ? 270 LYS A N 1 ATOM 2095 C CA . LYS A 1 270 ? 10.986 38.066 26.290 1.00 8.79 ? 270 LYS A CA 1 ATOM 2096 C C . LYS A 1 270 ? 9.601 37.429 26.153 1.00 9.44 ? 270 LYS A C 1 ATOM 2097 O O . LYS A 1 270 ? 9.180 36.642 27.027 1.00 9.69 ? 270 LYS A O 1 ATOM 2098 C CB . LYS A 1 270 ? 11.932 37.137 25.464 1.00 10.31 ? 270 LYS A CB 1 ATOM 2099 C CG . LYS A 1 270 ? 13.341 37.711 25.373 1.00 11.35 ? 270 LYS A CG 1 ATOM 2100 C CD . LYS A 1 270 ? 14.262 36.660 24.692 1.00 10.79 ? 270 LYS A CD 1 ATOM 2101 C CE . LYS A 1 270 ? 15.679 37.158 24.825 1.00 11.40 ? 270 LYS A CE 1 ATOM 2102 N NZ . LYS A 1 270 ? 16.684 36.333 24.099 1.00 10.75 ? 270 LYS A NZ 1 ATOM 2103 N N . PRO A 1 271 ? 8.886 37.725 25.073 1.00 9.07 ? 271 PRO A N 1 ATOM 2104 C CA . PRO A 1 271 ? 7.629 37.049 24.830 1.00 8.59 ? 271 PRO A CA 1 ATOM 2105 C C . PRO A 1 271 ? 7.815 35.657 24.253 1.00 9.44 ? 271 PRO A C 1 ATOM 2106 O O . PRO A 1 271 ? 8.874 35.311 23.690 1.00 8.97 ? 271 PRO A O 1 ATOM 2107 C CB . PRO A 1 271 ? 7.000 37.841 23.640 1.00 9.75 ? 271 PRO A CB 1 ATOM 2108 C CG . PRO A 1 271 ? 7.877 39.043 23.418 1.00 10.40 ? 271 PRO A CG 1 ATOM 2109 C CD . PRO A 1 271 ? 9.230 38.695 24.004 1.00 9.85 ? 271 PRO A CD 1 ATOM 2110 N N . CYS A 1 272 ? 6.811 34.796 24.422 1.00 9.21 ? 272 CYS A N 1 ATOM 2111 C CA . CYS A 1 272 ? 6.683 33.514 23.781 1.00 8.89 ? 272 CYS A CA 1 ATOM 2112 C C . CYS A 1 272 ? 5.557 33.625 22.711 1.00 9.78 ? 272 CYS A C 1 ATOM 2113 O O . CYS A 1 272 ? 4.571 34.377 22.888 1.00 10.69 ? 272 CYS A O 1 ATOM 2114 C CB . CYS A 1 272 ? 6.213 32.422 24.726 1.00 10.43 ? 272 CYS A CB 1 ATOM 2115 S SG . CYS A 1 272 ? 7.376 31.303 25.491 1.00 10.04 ? 272 CYS A SG 1 ATOM 2116 N N . VAL A 1 273 ? 5.696 32.891 21.621 1.00 8.88 ? 273 VAL A N 1 ATOM 2117 C CA . VAL A 1 273 ? 4.613 32.655 20.638 1.00 8.18 ? 273 VAL A CA 1 ATOM 2118 C C . VAL A 1 273 ? 4.239 31.161 20.659 1.00 7.67 ? 273 VAL A C 1 ATOM 2119 O O . VAL A 1 273 ? 5.097 30.279 20.435 1.00 7.27 ? 273 VAL A O 1 ATOM 2120 C CB . VAL A 1 273 ? 4.955 33.113 19.209 1.00 7.57 ? 273 VAL A CB 1 ATOM 2121 C CG1 . VAL A 1 273 ? 3.848 32.746 18.203 1.00 8.86 ? 273 VAL A CG1 1 ATOM 2122 C CG2 . VAL A 1 273 ? 5.184 34.645 19.174 1.00 9.12 ? 273 VAL A CG2 1 ATOM 2123 N N . PHE A 1 274 ? 2.975 30.875 20.943 1.00 8.30 ? 274 PHE A N 1 ATOM 2124 C CA . PHE A 1 274 ? 2.424 29.499 20.933 1.00 6.91 ? 274 PHE A CA 1 ATOM 2125 C C . PHE A 1 274 ? 2.107 29.237 19.456 1.00 7.89 ? 274 PHE A C 1 ATOM 2126 O O . PHE A 1 274 ? 1.052 29.584 18.908 1.00 8.26 ? 274 PHE A O 1 ATOM 2127 C CB . PHE A 1 274 ? 1.150 29.530 21.799 1.00 6.53 ? 274 PHE A CB 1 ATOM 2128 C CG . PHE A 1 274 ? 0.374 28.251 21.915 1.00 7.62 ? 274 PHE A CG 1 ATOM 2129 C CD1 . PHE A 1 274 ? 0.899 27.008 21.679 1.00 8.75 ? 274 PHE A CD1 1 ATOM 2130 C CD2 . PHE A 1 274 ? -0.956 28.382 22.355 1.00 9.15 ? 274 PHE A CD2 1 ATOM 2131 C CE1 . PHE A 1 274 ? 0.110 25.883 21.844 1.00 9.57 ? 274 PHE A CE1 1 ATOM 2132 C CE2 . PHE A 1 274 ? -1.762 27.240 22.535 1.00 9.49 ? 274 PHE A CE2 1 ATOM 2133 C CZ . PHE A 1 274 ? -1.183 26.019 22.282 1.00 10.84 ? 274 PHE A CZ 1 ATOM 2134 N N . GLU A 1 275 ? 3.109 28.778 18.720 1.00 5.77 ? 275 GLU A N 1 ATOM 2135 C CA . GLU A 1 275 ? 3.193 28.907 17.267 1.00 5.93 ? 275 GLU A CA 1 ATOM 2136 C C . GLU A 1 275 ? 2.469 27.861 16.462 1.00 6.76 ? 275 GLU A C 1 ATOM 2137 O O . GLU A 1 275 ? 2.208 28.103 15.259 1.00 6.44 ? 275 GLU A O 1 ATOM 2138 C CB . GLU A 1 275 ? 4.712 28.956 16.933 1.00 6.92 ? 275 GLU A CB 1 ATOM 2139 C CG . GLU A 1 275 ? 4.973 29.197 15.453 1.00 8.09 ? 275 GLU A CG 1 ATOM 2140 C CD . GLU A 1 275 ? 6.461 29.268 15.140 1.00 7.34 ? 275 GLU A CD 1 ATOM 2141 O OE1 . GLU A 1 275 ? 7.151 28.256 15.419 1.00 7.26 ? 275 GLU A OE1 1 ATOM 2142 O OE2 . GLU A 1 275 ? 6.869 30.334 14.595 1.00 7.68 ? 275 GLU A OE2 1 ATOM 2143 N N . GLU A 1 276 ? 2.272 26.659 17.021 1.00 6.64 ? 276 GLU A N 1 ATOM 2144 C CA . GLU A 1 276 ? 1.445 25.657 16.332 1.00 7.78 ? 276 GLU A CA 1 ATOM 2145 C C . GLU A 1 276 ? 0.711 24.820 17.387 1.00 7.68 ? 276 GLU A C 1 ATOM 2146 O O . GLU A 1 276 ? 1.310 24.552 18.444 1.00 7.72 ? 276 GLU A O 1 ATOM 2147 C CB . GLU A 1 276 ? 2.263 24.570 15.592 1.00 7.43 ? 276 GLU A CB 1 ATOM 2148 C CG . GLU A 1 276 ? 3.071 25.054 14.361 1.00 7.69 ? 276 GLU A CG 1 ATOM 2149 C CD . GLU A 1 276 ? 3.754 23.898 13.659 1.00 9.22 ? 276 GLU A CD 1 ATOM 2150 O OE1 . GLU A 1 276 ? 3.431 22.704 13.890 1.00 8.45 ? 276 GLU A OE1 1 ATOM 2151 O OE2 . GLU A 1 276 ? 4.678 24.189 12.856 1.00 10.42 ? 276 GLU A OE2 1 ATOM 2152 N N . TYR A 1 277 ? -0.509 24.398 17.126 1.00 8.07 ? 277 TYR A N 1 ATOM 2153 C CA . TYR A 1 277 ? -1.180 23.448 18.037 1.00 7.81 ? 277 TYR A CA 1 ATOM 2154 C C . TYR A 1 277 ? -2.357 22.856 17.276 1.00 8.00 ? 277 TYR A C 1 ATOM 2155 O O . TYR A 1 277 ? -2.949 23.472 16.398 1.00 8.37 ? 277 TYR A O 1 ATOM 2156 C CB . TYR A 1 277 ? -1.662 24.156 19.305 1.00 7.38 ? 277 TYR A CB 1 ATOM 2157 C CG . TYR A 1 277 ? -2.560 25.354 19.102 1.00 6.99 ? 277 TYR A CG 1 ATOM 2158 C CD1 . TYR A 1 277 ? -3.958 25.274 18.984 1.00 8.12 ? 277 TYR A CD1 1 ATOM 2159 C CD2 . TYR A 1 277 ? -1.999 26.649 19.067 1.00 8.69 ? 277 TYR A CD2 1 ATOM 2160 C CE1 . TYR A 1 277 ? -4.733 26.404 18.838 1.00 8.78 ? 277 TYR A CE1 1 ATOM 2161 C CE2 . TYR A 1 277 ? -2.785 27.787 18.918 1.00 8.86 ? 277 TYR A CE2 1 ATOM 2162 C CZ . TYR A 1 277 ? -4.159 27.667 18.778 1.00 8.64 ? 277 TYR A CZ 1 ATOM 2163 O OH . TYR A 1 277 ? -4.962 28.784 18.626 1.00 9.60 ? 277 TYR A OH 1 ATOM 2164 N N . GLY A 1 278 ? -2.726 21.636 17.694 1.00 8.57 ? 278 GLY A N 1 ATOM 2165 C CA . GLY A 1 278 ? -3.948 21.033 17.141 1.00 8.94 ? 278 GLY A CA 1 ATOM 2166 C C . GLY A 1 278 ? -4.292 19.789 17.967 1.00 10.17 ? 278 GLY A C 1 ATOM 2167 O O . GLY A 1 278 ? -3.402 19.119 18.521 1.00 10.76 ? 278 GLY A O 1 ATOM 2168 N N . ALA A 1 279 ? -5.580 19.451 17.848 1.00 11.18 ? 279 ALA A N 1 ATOM 2169 C CA . ALA A 1 279 ? -6.089 18.190 18.446 1.00 12.75 ? 279 ALA A CA 1 ATOM 2170 C C . ALA A 1 279 ? -6.823 17.462 17.342 1.00 13.73 ? 279 ALA A C 1 ATOM 2171 O O . ALA A 1 279 ? -7.668 18.060 16.689 1.00 13.61 ? 279 ALA A O 1 ATOM 2172 C CB . ALA A 1 279 ? -7.000 18.535 19.611 1.00 11.74 ? 279 ALA A CB 1 ATOM 2173 N N . GLN A 1 280 ? -6.560 16.156 17.143 1.00 16.88 ? 280 GLN A N 1 ATOM 2174 C CA . GLN A 1 280 ? -7.235 15.463 16.027 1.00 19.22 ? 280 GLN A CA 1 ATOM 2175 C C . GLN A 1 280 ? -8.711 15.208 16.333 1.00 19.21 ? 280 GLN A C 1 ATOM 2176 O O . GLN A 1 280 ? -9.568 15.154 15.427 1.00 19.76 ? 280 GLN A O 1 ATOM 2177 C CB . GLN A 1 280 ? -6.586 14.107 15.827 1.00 23.58 ? 280 GLN A CB 1 ATOM 2178 C CG A GLN A 1 280 ? -5.298 14.080 15.026 0.50 25.68 ? 280 GLN A CG 1 ATOM 2179 C CG B GLN A 1 280 ? -5.269 14.079 15.074 0.50 25.36 ? 280 GLN A CG 1 ATOM 2180 C CD A GLN A 1 280 ? -5.051 12.746 14.345 0.50 28.57 ? 280 GLN A CD 1 ATOM 2181 C CD B GLN A 1 280 ? -4.528 12.764 15.266 0.50 27.72 ? 280 GLN A CD 1 ATOM 2182 O OE1 A GLN A 1 280 ? -5.199 12.648 13.123 0.50 29.31 ? 280 GLN A OE1 1 ATOM 2183 O OE1 B GLN A 1 280 ? -5.096 11.746 15.707 0.50 28.13 ? 280 GLN A OE1 1 ATOM 2184 N NE2 A GLN A 1 280 ? -4.649 11.703 15.071 0.50 29.25 ? 280 GLN A NE2 1 ATOM 2185 N NE2 B GLN A 1 280 ? -3.239 12.754 14.948 0.50 27.10 ? 280 GLN A NE2 1 ATOM 2186 N N . GLN A 1 281 ? -8.975 14.920 17.611 1.00 19.39 ? 281 GLN A N 1 ATOM 2187 C CA . GLN A 1 281 ? -10.378 14.654 17.994 1.00 20.55 ? 281 GLN A CA 1 ATOM 2188 C C . GLN A 1 281 ? -10.981 15.883 18.657 1.00 19.39 ? 281 GLN A C 1 ATOM 2189 O O . GLN A 1 281 ? -10.317 16.549 19.470 1.00 18.80 ? 281 GLN A O 1 ATOM 2190 C CB . GLN A 1 281 ? -10.380 13.500 19.013 1.00 24.47 ? 281 GLN A CB 1 ATOM 2191 C CG . GLN A 1 281 ? -9.687 12.219 18.592 1.00 31.29 ? 281 GLN A CG 1 ATOM 2192 C CD . GLN A 1 281 ? -10.385 11.635 17.364 1.00 35.60 ? 281 GLN A CD 1 ATOM 2193 O OE1 . GLN A 1 281 ? -11.622 11.651 17.362 1.00 40.48 ? 281 GLN A OE1 1 ATOM 2194 N NE2 . GLN A 1 281 ? -9.653 11.179 16.363 1.00 38.37 ? 281 GLN A NE2 1 ATOM 2195 N N . ASN A 1 282 ? -12.220 16.245 18.323 1.00 18.54 ? 282 ASN A N 1 ATOM 2196 C CA . ASN A 1 282 ? -12.996 17.296 18.949 1.00 18.10 ? 282 ASN A CA 1 ATOM 2197 C C . ASN A 1 282 ? -12.155 18.561 19.184 1.00 15.72 ? 282 ASN A C 1 ATOM 2198 O O . ASN A 1 282 ? -11.985 19.043 20.301 1.00 16.42 ? 282 ASN A O 1 ATOM 2199 C CB . ASN A 1 282 ? -13.566 16.798 20.308 1.00 19.28 ? 282 ASN A CB 1 ATOM 2200 C CG . ASN A 1 282 ? -14.293 15.458 20.130 1.00 21.04 ? 282 ASN A CG 1 ATOM 2201 O OD1 . ASN A 1 282 ? -13.744 14.434 20.592 1.00 22.38 ? 282 ASN A OD1 1 ATOM 2202 N ND2 . ASN A 1 282 ? -15.373 15.476 19.366 1.00 21.39 ? 282 ASN A ND2 1 ATOM 2203 N N . PRO A 1 283 ? -11.684 19.161 18.126 1.00 14.72 ? 283 PRO A N 1 ATOM 2204 C CA . PRO A 1 283 ? -10.812 20.342 18.287 1.00 12.97 ? 283 PRO A CA 1 ATOM 2205 C C . PRO A 1 283 ? -11.491 21.537 18.934 1.00 14.05 ? 283 PRO A C 1 ATOM 2206 O O . PRO A 1 283 ? -10.831 22.297 19.674 1.00 12.97 ? 283 PRO A O 1 ATOM 2207 C CB . PRO A 1 283 ? -10.335 20.623 16.880 1.00 14.06 ? 283 PRO A CB 1 ATOM 2208 C CG . PRO A 1 283 ? -11.398 20.007 15.988 1.00 14.89 ? 283 PRO A CG 1 ATOM 2209 C CD . PRO A 1 283 ? -11.795 18.733 16.713 1.00 15.55 ? 283 PRO A CD 1 ATOM 2210 N N . CYS A 1 284 ? -12.790 21.761 18.670 1.00 13.39 ? 284 CYS A N 1 ATOM 2211 C CA . CYS A 1 284 ? -13.412 22.896 19.344 1.00 13.14 ? 284 CYS A CA 1 ATOM 2212 C C . CYS A 1 284 ? -13.372 22.735 20.875 1.00 13.33 ? 284 CYS A C 1 ATOM 2213 O O . CYS A 1 284 ? -12.971 23.651 21.605 1.00 14.60 ? 284 CYS A O 1 ATOM 2214 C CB . CYS A 1 284 ? -14.848 23.090 18.876 1.00 14.49 ? 284 CYS A CB 1 ATOM 2215 S SG . CYS A 1 284 ? -15.777 24.380 19.704 1.00 14.18 ? 284 CYS A SG 1 ATOM 2216 N N . THR A 1 285 ? -13.747 21.553 21.357 1.00 13.38 ? 285 THR A N 1 ATOM 2217 C CA . THR A 1 285 ? -13.684 21.275 22.795 1.00 16.30 ? 285 THR A CA 1 ATOM 2218 C C . THR A 1 285 ? -12.260 21.258 23.339 1.00 14.60 ? 285 THR A C 1 ATOM 2219 O O . THR A 1 285 ? -12.061 21.739 24.464 1.00 15.49 ? 285 THR A O 1 ATOM 2220 C CB . THR A 1 285 ? -14.287 19.865 23.051 1.00 18.37 ? 285 THR A CB 1 ATOM 2221 O OG1 . THR A 1 285 ? -15.689 19.920 22.679 1.00 20.25 ? 285 THR A OG1 1 ATOM 2222 C CG2 . THR A 1 285 ? -14.211 19.423 24.505 1.00 18.40 ? 285 THR A CG2 1 ATOM 2223 N N . ASN A 1 286 ? -11.332 20.618 22.626 1.00 15.02 ? 286 ASN A N 1 ATOM 2224 C CA . ASN A 1 286 ? -10.007 20.420 23.204 1.00 13.32 ? 286 ASN A CA 1 ATOM 2225 C C . ASN A 1 286 ? -9.008 21.568 23.045 1.00 12.40 ? 286 ASN A C 1 ATOM 2226 O O . ASN A 1 286 ? -8.199 21.724 23.951 1.00 13.42 ? 286 ASN A O 1 ATOM 2227 C CB . ASN A 1 286 ? -9.382 19.127 22.650 1.00 13.90 ? 286 ASN A CB 1 ATOM 2228 C CG . ASN A 1 286 ? -10.189 17.904 23.140 1.00 16.15 ? 286 ASN A CG 1 ATOM 2229 O OD1 . ASN A 1 286 ? -10.579 17.814 24.303 1.00 18.76 ? 286 ASN A OD1 1 ATOM 2230 N ND2 . ASN A 1 286 ? -10.401 16.996 22.205 1.00 16.91 ? 286 ASN A ND2 1 ATOM 2231 N N . GLU A 1 287 ? -9.157 22.388 22.010 1.00 10.73 ? 287 GLU A N 1 ATOM 2232 C CA . GLU A 1 287 ? -8.192 23.477 21.786 1.00 10.28 ? 287 GLU A CA 1 ATOM 2233 C C . GLU A 1 287 ? -8.640 24.817 22.348 1.00 10.85 ? 287 GLU A C 1 ATOM 2234 O O . GLU A 1 287 ? -7.786 25.650 22.735 1.00 11.65 ? 287 GLU A O 1 ATOM 2235 C CB . GLU A 1 287 ? -7.926 23.704 20.266 1.00 10.76 ? 287 GLU A CB 1 ATOM 2236 C CG . GLU A 1 287 ? -7.462 22.447 19.549 1.00 10.97 ? 287 GLU A CG 1 ATOM 2237 C CD . GLU A 1 287 ? -7.186 22.658 18.074 1.00 11.76 ? 287 GLU A CD 1 ATOM 2238 O OE1 . GLU A 1 287 ? -6.957 23.817 17.633 1.00 11.35 ? 287 GLU A OE1 1 ATOM 2239 O OE2 . GLU A 1 287 ? -7.219 21.614 17.392 1.00 11.71 ? 287 GLU A OE2 1 ATOM 2240 N N . ALA A 1 288 ? -9.973 25.043 22.527 1.00 11.64 ? 288 ALA A N 1 ATOM 2241 C CA . ALA A 1 288 ? -10.392 26.324 23.109 1.00 11.69 ? 288 ALA A CA 1 ATOM 2242 C C . ALA A 1 288 ? -9.811 26.569 24.486 1.00 11.93 ? 288 ALA A C 1 ATOM 2243 O O . ALA A 1 288 ? -9.374 27.706 24.752 1.00 11.86 ? 288 ALA A O 1 ATOM 2244 C CB . ALA A 1 288 ? -11.934 26.428 23.108 1.00 13.06 ? 288 ALA A CB 1 ATOM 2245 N N . PRO A 1 289 ? -9.632 25.608 25.395 1.00 12.33 ? 289 PRO A N 1 ATOM 2246 C CA . PRO A 1 289 ? -8.994 25.875 26.691 1.00 12.56 ? 289 PRO A CA 1 ATOM 2247 C C . PRO A 1 289 ? -7.536 26.306 26.578 1.00 12.48 ? 289 PRO A C 1 ATOM 2248 O O . PRO A 1 289 ? -7.069 27.159 27.340 1.00 12.79 ? 289 PRO A O 1 ATOM 2249 C CB . PRO A 1 289 ? -9.127 24.534 27.458 1.00 14.37 ? 289 PRO A CB 1 ATOM 2250 C CG . PRO A 1 289 ? -10.294 23.880 26.816 1.00 15.46 ? 289 PRO A CG 1 ATOM 2251 C CD . PRO A 1 289 ? -10.259 24.258 25.360 1.00 13.91 ? 289 PRO A CD 1 ATOM 2252 N N . TRP A 1 290 ? -6.854 25.740 25.571 1.00 11.11 ? 290 TRP A N 1 ATOM 2253 C CA . TRP A 1 290 ? -5.472 26.141 25.332 1.00 10.57 ? 290 TRP A CA 1 ATOM 2254 C C . TRP A 1 290 ? -5.378 27.617 24.929 1.00 9.91 ? 290 TRP A C 1 ATOM 2255 O O . TRP A 1 290 ? -4.499 28.344 25.401 1.00 10.02 ? 290 TRP A O 1 ATOM 2256 C CB . TRP A 1 290 ? -4.840 25.305 24.215 1.00 10.04 ? 290 TRP A CB 1 ATOM 2257 C CG . TRP A 1 290 ? -4.800 23.825 24.451 1.00 10.33 ? 290 TRP A CG 1 ATOM 2258 C CD1 . TRP A 1 290 ? -4.953 23.127 25.625 1.00 11.24 ? 290 TRP A CD1 1 ATOM 2259 C CD2 . TRP A 1 290 ? -4.611 22.846 23.425 1.00 9.69 ? 290 TRP A CD2 1 ATOM 2260 N NE1 . TRP A 1 290 ? -4.890 21.775 25.407 1.00 10.20 ? 290 TRP A NE1 1 ATOM 2261 C CE2 . TRP A 1 290 ? -4.670 21.573 24.050 1.00 10.82 ? 290 TRP A CE2 1 ATOM 2262 C CE3 . TRP A 1 290 ? -4.358 22.948 22.037 1.00 9.58 ? 290 TRP A CE3 1 ATOM 2263 C CZ2 . TRP A 1 290 ? -4.516 20.384 23.329 1.00 10.49 ? 290 TRP A CZ2 1 ATOM 2264 C CZ3 . TRP A 1 290 ? -4.201 21.756 21.323 1.00 9.35 ? 290 TRP A CZ3 1 ATOM 2265 C CH2 . TRP A 1 290 ? -4.272 20.519 21.977 1.00 10.66 ? 290 TRP A CH2 1 ATOM 2266 N N . GLN A 1 291 ? -6.319 28.039 24.081 1.00 10.27 ? 291 GLN A N 1 ATOM 2267 C CA . GLN A 1 291 ? -6.319 29.441 23.641 1.00 9.91 ? 291 GLN A CA 1 ATOM 2268 C C . GLN A 1 291 ? -6.556 30.361 24.835 1.00 12.12 ? 291 GLN A C 1 ATOM 2269 O O . GLN A 1 291 ? -5.897 31.409 24.989 1.00 11.55 ? 291 GLN A O 1 ATOM 2270 C CB . GLN A 1 291 ? -7.444 29.656 22.602 1.00 10.04 ? 291 GLN A CB 1 ATOM 2271 C CG . GLN A 1 291 ? -7.161 28.802 21.358 1.00 10.10 ? 291 GLN A CG 1 ATOM 2272 C CD . GLN A 1 291 ? -8.252 29.071 20.310 1.00 12.09 ? 291 GLN A CD 1 ATOM 2273 O OE1 . GLN A 1 291 ? -9.451 29.199 20.676 1.00 14.35 ? 291 GLN A OE1 1 ATOM 2274 N NE2 . GLN A 1 291 ? -7.871 29.117 19.039 1.00 10.49 ? 291 GLN A NE2 1 ATOM 2275 N N . THR A 1 292 ? -7.498 29.991 25.714 1.00 11.68 ? 292 THR A N 1 ATOM 2276 C CA . THR A 1 292 ? -7.709 30.799 26.928 1.00 12.11 ? 292 THR A CA 1 ATOM 2277 C C . THR A 1 292 ? -6.496 30.749 27.846 1.00 11.34 ? 292 THR A C 1 ATOM 2278 O O . THR A 1 292 ? -6.112 31.859 28.357 1.00 12.49 ? 292 THR A O 1 ATOM 2279 C CB . THR A 1 292 ? -8.926 30.243 27.700 1.00 13.49 ? 292 THR A CB 1 ATOM 2280 O OG1 . THR A 1 292 ? -10.042 30.410 26.829 1.00 15.13 ? 292 THR A OG1 1 ATOM 2281 C CG2 . THR A 1 292 ? -9.158 31.013 28.990 1.00 15.08 ? 292 THR A CG2 1 ATOM 2282 N N . THR A 1 293 ? -5.829 29.599 28.047 1.00 10.99 ? 293 THR A N 1 ATOM 2283 C CA . THR A 1 293 ? -4.622 29.659 28.888 1.00 11.16 ? 293 THR A CA 1 ATOM 2284 C C . THR A 1 293 ? -3.578 30.609 28.321 1.00 10.62 ? 293 THR A C 1 ATOM 2285 O O . THR A 1 293 ? -2.957 31.393 29.026 1.00 11.68 ? 293 THR A O 1 ATOM 2286 C CB . THR A 1 293 ? -4.057 28.224 28.973 1.00 10.50 ? 293 THR A CB 1 ATOM 2287 O OG1 . THR A 1 293 ? -5.059 27.428 29.668 1.00 12.79 ? 293 THR A OG1 1 ATOM 2288 C CG2 . THR A 1 293 ? -2.748 28.178 29.760 1.00 11.76 ? 293 THR A CG2 1 ATOM 2289 N N . SER A 1 294 ? -3.318 30.489 26.993 1.00 10.32 ? 294 SER A N 1 ATOM 2290 C CA . SER A 1 294 ? -2.302 31.343 26.381 1.00 9.98 ? 294 SER A CA 1 ATOM 2291 C C . SER A 1 294 ? -2.662 32.810 26.546 1.00 11.02 ? 294 SER A C 1 ATOM 2292 O O . SER A 1 294 ? -1.809 33.615 26.948 1.00 11.62 ? 294 SER A O 1 ATOM 2293 C CB . SER A 1 294 ? -2.184 30.925 24.900 1.00 10.01 ? 294 SER A CB 1 ATOM 2294 O OG . SER A 1 294 ? -1.113 31.633 24.299 1.00 10.87 ? 294 SER A OG 1 ATOM 2295 N N . LEU A 1 295 ? -3.927 33.181 26.293 1.00 11.07 ? 295 LEU A N 1 ATOM 2296 C CA . LEU A 1 295 ? -4.324 34.594 26.396 1.00 11.77 ? 295 LEU A CA 1 ATOM 2297 C C . LEU A 1 295 ? -4.164 35.160 27.799 1.00 12.83 ? 295 LEU A C 1 ATOM 2298 O O . LEU A 1 295 ? -3.969 36.398 27.956 1.00 15.25 ? 295 LEU A O 1 ATOM 2299 C CB . LEU A 1 295 ? -5.799 34.681 25.921 1.00 11.98 ? 295 LEU A CB 1 ATOM 2300 C CG . LEU A 1 295 ? -6.509 36.035 25.964 1.00 12.36 ? 295 LEU A CG 1 ATOM 2301 C CD1 . LEU A 1 295 ? -5.724 37.167 25.310 1.00 14.43 ? 295 LEU A CD1 1 ATOM 2302 C CD2 . LEU A 1 295 ? -7.880 35.902 25.282 1.00 14.42 ? 295 LEU A CD2 1 ATOM 2303 N N . THR A 1 296 ? -4.306 34.313 28.811 1.00 11.30 ? 296 THR A N 1 ATOM 2304 C CA . THR A 1 296 ? -4.272 34.747 30.187 1.00 12.40 ? 296 THR A CA 1 ATOM 2305 C C . THR A 1 296 ? -2.981 34.376 30.939 1.00 14.55 ? 296 THR A C 1 ATOM 2306 O O . THR A 1 296 ? -2.948 34.553 32.165 1.00 16.31 ? 296 THR A O 1 ATOM 2307 C CB . THR A 1 296 ? -5.489 34.159 30.940 1.00 14.28 ? 296 THR A CB 1 ATOM 2308 O OG1 . THR A 1 296 ? -5.453 32.719 30.945 1.00 15.07 ? 296 THR A OG1 1 ATOM 2309 C CG2 . THR A 1 296 ? -6.791 34.665 30.328 1.00 14.35 ? 296 THR A CG2 1 ATOM 2310 N N . THR A 1 297 ? -1.897 34.072 30.276 1.00 13.53 ? 297 THR A N 1 ATOM 2311 C CA . THR A 1 297 ? -0.641 33.785 31.001 1.00 13.34 ? 297 THR A CA 1 ATOM 2312 C C . THR A 1 297 ? 0.434 34.812 30.668 1.00 13.78 ? 297 THR A C 1 ATOM 2313 O O . THR A 1 297 ? 0.728 34.996 29.482 1.00 12.35 ? 297 THR A O 1 ATOM 2314 C CB . THR A 1 297 ? -0.165 32.368 30.665 1.00 13.88 ? 297 THR A CB 1 ATOM 2315 O OG1 . THR A 1 297 ? -1.160 31.392 30.971 1.00 14.89 ? 297 THR A OG1 1 ATOM 2316 C CG2 . THR A 1 297 ? 1.102 32.023 31.452 1.00 14.98 ? 297 THR A CG2 1 ATOM 2317 N N . ARG A 1 298 ? 0.985 35.521 31.673 1.00 15.65 ? 298 ARG A N 1 ATOM 2318 C CA . ARG A 1 298 ? 2.027 36.519 31.422 1.00 15.81 ? 298 ARG A CA 1 ATOM 2319 C C . ARG A 1 298 ? 3.249 35.791 30.806 1.00 13.80 ? 298 ARG A C 1 ATOM 2320 O O . ARG A 1 298 ? 3.597 34.668 31.192 1.00 12.90 ? 298 ARG A O 1 ATOM 2321 C CB . ARG A 1 298 ? 2.486 37.283 32.682 1.00 19.58 ? 298 ARG A CB 1 ATOM 2322 C CG . ARG A 1 298 ? 1.637 38.479 33.053 1.00 23.51 ? 298 ARG A CG 1 ATOM 2323 C CD . ARG A 1 298 ? 2.385 39.687 33.690 1.00 26.16 ? 298 ARG A CD 1 ATOM 2324 N NE . ARG A 1 298 ? 3.685 39.986 33.077 1.00 26.98 ? 298 ARG A NE 1 ATOM 2325 C CZ . ARG A 1 298 ? 3.829 41.010 32.178 1.00 28.61 ? 298 ARG A CZ 1 ATOM 2326 N NH1 . ARG A 1 298 ? 2.727 41.763 31.879 1.00 25.98 ? 298 ARG A NH1 1 ATOM 2327 N NH2 . ARG A 1 298 ? 4.975 41.339 31.528 1.00 28.86 ? 298 ARG A NH2 1 ATOM 2328 N N . GLY A 1 299 ? 3.830 36.468 29.830 1.00 13.09 ? 299 GLY A N 1 ATOM 2329 C CA . GLY A 1 299 ? 4.948 35.863 29.076 1.00 12.50 ? 299 GLY A CA 1 ATOM 2330 C C . GLY A 1 299 ? 4.446 35.470 27.683 1.00 12.08 ? 299 GLY A C 1 ATOM 2331 O O . GLY A 1 299 ? 5.261 35.365 26.774 1.00 12.81 ? 299 GLY A O 1 ATOM 2332 N N . MET A 1 300 ? 3.139 35.289 27.474 1.00 10.69 ? 300 MET A N 1 ATOM 2333 C CA . MET A 1 300 ? 2.685 34.983 26.107 1.00 11.66 ? 300 MET A CA 1 ATOM 2334 C C . MET A 1 300 ? 2.427 36.251 25.306 1.00 11.32 ? 300 MET A C 1 ATOM 2335 O O . MET A 1 300 ? 1.774 37.195 25.793 1.00 15.06 ? 300 MET A O 1 ATOM 2336 C CB . MET A 1 300 ? 1.379 34.191 26.123 1.00 10.63 ? 300 MET A CB 1 ATOM 2337 C CG . MET A 1 300 ? 1.475 32.808 26.733 1.00 10.60 ? 300 MET A CG 1 ATOM 2338 S SD . MET A 1 300 ? 2.794 31.778 26.030 1.00 8.86 ? 300 MET A SD 1 ATOM 2339 C CE . MET A 1 300 ? 2.345 31.924 24.290 1.00 11.36 ? 300 MET A CE 1 ATOM 2340 N N . GLY A 1 301 ? 2.852 36.304 24.063 1.00 10.36 ? 301 GLY A N 1 ATOM 2341 C CA . GLY A 1 301 ? 2.567 37.367 23.138 1.00 11.22 ? 301 GLY A CA 1 ATOM 2342 C C . GLY A 1 301 ? 1.512 37.084 22.096 1.00 10.53 ? 301 GLY A C 1 ATOM 2343 O O . GLY A 1 301 ? 0.905 38.031 21.542 1.00 10.30 ? 301 GLY A O 1 ATOM 2344 N N . GLY A 1 302 ? 1.271 35.787 21.821 1.00 8.86 ? 302 GLY A N 1 ATOM 2345 C CA . GLY A 1 302 ? 0.217 35.511 20.783 1.00 8.50 ? 302 GLY A CA 1 ATOM 2346 C C . GLY A 1 302 ? 0.208 33.992 20.575 1.00 8.93 ? 302 GLY A C 1 ATOM 2347 O O . GLY A 1 302 ? 1.033 33.268 21.117 1.00 8.52 ? 302 GLY A O 1 ATOM 2348 N N . ASP A 1 303 ? -0.767 33.538 19.768 1.00 8.20 ? 303 ASP A N 1 ATOM 2349 C CA . ASP A 1 303 ? -0.869 32.128 19.412 1.00 8.29 ? 303 ASP A CA 1 ATOM 2350 C C . ASP A 1 303 ? -1.353 31.933 17.980 1.00 8.07 ? 303 ASP A C 1 ATOM 2351 O O . ASP A 1 303 ? -2.019 32.823 17.430 1.00 8.23 ? 303 ASP A O 1 ATOM 2352 C CB . ASP A 1 303 ? -1.822 31.354 20.345 1.00 9.76 ? 303 ASP A CB 1 ATOM 2353 C CG . ASP A 1 303 ? -3.275 31.782 20.132 1.00 10.74 ? 303 ASP A CG 1 ATOM 2354 O OD1 . ASP A 1 303 ? -3.907 31.194 19.232 1.00 10.21 ? 303 ASP A OD1 1 ATOM 2355 O OD2 . ASP A 1 303 ? -3.738 32.701 20.839 1.00 10.68 ? 303 ASP A OD2 1 ATOM 2356 N N . MET A 1 304 ? -0.953 30.802 17.371 1.00 6.34 ? 304 MET A N 1 ATOM 2357 C CA . MET A 1 304 ? -1.311 30.521 15.974 1.00 7.08 ? 304 MET A CA 1 ATOM 2358 C C . MET A 1 304 ? -1.666 29.063 15.799 1.00 7.61 ? 304 MET A C 1 ATOM 2359 O O . MET A 1 304 ? -0.809 28.178 15.894 1.00 8.22 ? 304 MET A O 1 ATOM 2360 C CB . MET A 1 304 ? -0.081 30.850 15.077 1.00 7.14 ? 304 MET A CB 1 ATOM 2361 C CG . MET A 1 304 ? 0.440 32.255 15.318 1.00 8.21 ? 304 MET A CG 1 ATOM 2362 S SD . MET A 1 304 ? 1.980 32.734 14.578 1.00 10.00 ? 304 MET A SD 1 ATOM 2363 C CE . MET A 1 304 ? 1.414 32.759 12.874 1.00 9.40 ? 304 MET A CE 1 ATOM 2364 N N . PHE A 1 305 ? -2.944 28.737 15.527 1.00 7.35 ? 305 PHE A N 1 ATOM 2365 C CA . PHE A 1 305 ? -3.336 27.345 15.373 1.00 7.46 ? 305 PHE A CA 1 ATOM 2366 C C . PHE A 1 305 ? -2.782 26.748 14.072 1.00 6.41 ? 305 PHE A C 1 ATOM 2367 O O . PHE A 1 305 ? -2.519 27.464 13.093 1.00 7.29 ? 305 PHE A O 1 ATOM 2368 C CB . PHE A 1 305 ? -4.885 27.263 15.424 1.00 8.28 ? 305 PHE A CB 1 ATOM 2369 C CG . PHE A 1 305 ? -5.629 27.908 14.286 1.00 7.66 ? 305 PHE A CG 1 ATOM 2370 C CD1 . PHE A 1 305 ? -5.973 29.250 14.381 1.00 8.32 ? 305 PHE A CD1 1 ATOM 2371 C CD2 . PHE A 1 305 ? -5.966 27.219 13.133 1.00 8.35 ? 305 PHE A CD2 1 ATOM 2372 C CE1 . PHE A 1 305 ? -6.718 29.886 13.397 1.00 8.55 ? 305 PHE A CE1 1 ATOM 2373 C CE2 . PHE A 1 305 ? -6.719 27.874 12.145 1.00 10.35 ? 305 PHE A CE2 1 ATOM 2374 C CZ . PHE A 1 305 ? -7.053 29.180 12.239 1.00 8.94 ? 305 PHE A CZ 1 ATOM 2375 N N . TRP A 1 306 ? -2.593 25.407 14.150 1.00 6.74 ? 306 TRP A N 1 ATOM 2376 C CA . TRP A 1 306 ? -2.273 24.635 12.935 1.00 6.99 ? 306 TRP A CA 1 ATOM 2377 C C . TRP A 1 306 ? -3.547 23.921 12.533 1.00 7.46 ? 306 TRP A C 1 ATOM 2378 O O . TRP A 1 306 ? -3.976 23.055 13.316 1.00 7.81 ? 306 TRP A O 1 ATOM 2379 C CB . TRP A 1 306 ? -1.137 23.619 13.228 1.00 7.23 ? 306 TRP A CB 1 ATOM 2380 C CG . TRP A 1 306 ? -0.807 22.879 11.956 1.00 8.20 ? 306 TRP A CG 1 ATOM 2381 C CD1 . TRP A 1 306 ? -1.473 21.784 11.473 1.00 8.20 ? 306 TRP A CD1 1 ATOM 2382 C CD2 . TRP A 1 306 ? 0.251 23.168 11.042 1.00 8.70 ? 306 TRP A CD2 1 ATOM 2383 N NE1 . TRP A 1 306 ? -0.891 21.390 10.293 1.00 8.10 ? 306 TRP A NE1 1 ATOM 2384 C CE2 . TRP A 1 306 ? 0.184 22.221 9.992 1.00 8.18 ? 306 TRP A CE2 1 ATOM 2385 C CE3 . TRP A 1 306 ? 1.267 24.167 11.000 1.00 6.58 ? 306 TRP A CE3 1 ATOM 2386 C CZ2 . TRP A 1 306 ? 1.032 22.218 8.889 1.00 8.88 ? 306 TRP A CZ2 1 ATOM 2387 C CZ3 . TRP A 1 306 ? 2.166 24.144 9.924 1.00 7.15 ? 306 TRP A CZ3 1 ATOM 2388 C CH2 . TRP A 1 306 ? 2.050 23.182 8.901 1.00 7.33 ? 306 TRP A CH2 1 ATOM 2389 N N . GLN A 1 307 ? -4.244 24.281 11.443 1.00 7.18 ? 307 GLN A N 1 ATOM 2390 C CA . GLN A 1 307 ? -3.793 25.244 10.449 1.00 7.25 ? 307 GLN A CA 1 ATOM 2391 C C . GLN A 1 307 ? -5.019 25.787 9.672 1.00 7.04 ? 307 GLN A C 1 ATOM 2392 O O . GLN A 1 307 ? -6.101 25.166 9.725 1.00 8.01 ? 307 GLN A O 1 ATOM 2393 C CB . GLN A 1 307 ? -2.902 24.583 9.356 1.00 6.96 ? 307 GLN A CB 1 ATOM 2394 C CG . GLN A 1 307 ? -3.589 23.419 8.588 1.00 7.55 ? 307 GLN A CG 1 ATOM 2395 C CD . GLN A 1 307 ? -2.726 22.898 7.453 1.00 7.33 ? 307 GLN A CD 1 ATOM 2396 O OE1 . GLN A 1 307 ? -1.970 23.633 6.780 1.00 8.36 ? 307 GLN A OE1 1 ATOM 2397 N NE2 . GLN A 1 307 ? -2.800 21.589 7.163 1.00 8.37 ? 307 GLN A NE2 1 ATOM 2398 N N . TRP A 1 308 ? -4.790 26.881 8.939 1.00 6.97 ? 308 TRP A N 1 ATOM 2399 C CA . TRP A 1 308 ? -5.890 27.418 8.105 1.00 7.40 ? 308 TRP A CA 1 ATOM 2400 C C . TRP A 1 308 ? -6.192 26.458 6.937 1.00 8.03 ? 308 TRP A C 1 ATOM 2401 O O . TRP A 1 308 ? -5.300 25.914 6.311 1.00 7.88 ? 308 TRP A O 1 ATOM 2402 C CB . TRP A 1 308 ? -5.377 28.728 7.441 1.00 7.39 ? 308 TRP A CB 1 ATOM 2403 C CG . TRP A 1 308 ? -6.458 29.583 6.817 1.00 7.67 ? 308 TRP A CG 1 ATOM 2404 C CD1 . TRP A 1 308 ? -6.809 29.675 5.498 1.00 8.04 ? 308 TRP A CD1 1 ATOM 2405 C CD2 . TRP A 1 308 ? -7.384 30.391 7.577 1.00 6.75 ? 308 TRP A CD2 1 ATOM 2406 N NE1 . TRP A 1 308 ? -7.869 30.569 5.351 1.00 7.78 ? 308 TRP A NE1 1 ATOM 2407 C CE2 . TRP A 1 308 ? -8.240 30.990 6.628 1.00 8.38 ? 308 TRP A CE2 1 ATOM 2408 C CE3 . TRP A 1 308 ? -7.501 30.684 8.954 1.00 7.26 ? 308 TRP A CE3 1 ATOM 2409 C CZ2 . TRP A 1 308 ? -9.233 31.903 7.012 1.00 8.45 ? 308 TRP A CZ2 1 ATOM 2410 C CZ3 . TRP A 1 308 ? -8.523 31.573 9.324 1.00 8.87 ? 308 TRP A CZ3 1 ATOM 2411 C CH2 . TRP A 1 308 ? -9.361 32.172 8.359 1.00 8.34 ? 308 TRP A CH2 1 ATOM 2412 N N . GLY A 1 309 ? -7.502 26.310 6.638 1.00 7.88 ? 309 GLY A N 1 ATOM 2413 C CA . GLY A 1 309 ? -7.933 25.644 5.406 1.00 8.26 ? 309 GLY A CA 1 ATOM 2414 C C . GLY A 1 309 ? -8.855 26.587 4.642 1.00 7.44 ? 309 GLY A C 1 ATOM 2415 O O . GLY A 1 309 ? -9.552 27.405 5.291 1.00 9.10 ? 309 GLY A O 1 ATOM 2416 N N . ASP A 1 310 ? -8.772 26.565 3.306 1.00 7.65 ? 310 ASP A N 1 ATOM 2417 C CA . ASP A 1 310 ? -9.668 27.481 2.554 1.00 7.88 ? 310 ASP A CA 1 ATOM 2418 C C . ASP A 1 310 ? -9.967 26.900 1.192 1.00 8.52 ? 310 ASP A C 1 ATOM 2419 O O . ASP A 1 310 ? -9.499 25.794 0.856 1.00 9.18 ? 310 ASP A O 1 ATOM 2420 C CB . ASP A 1 310 ? -9.011 28.861 2.416 1.00 8.66 ? 310 ASP A CB 1 ATOM 2421 C CG . ASP A 1 310 ? -10.041 29.999 2.506 1.00 7.82 ? 310 ASP A CG 1 ATOM 2422 O OD1 . ASP A 1 310 ? -11.143 29.925 1.918 1.00 8.75 ? 310 ASP A OD1 1 ATOM 2423 O OD2 . ASP A 1 310 ? -9.618 31.055 3.067 1.00 8.58 ? 310 ASP A OD2 1 ATOM 2424 N N . THR A 1 311 ? -10.837 27.575 0.441 1.00 8.26 ? 311 THR A N 1 ATOM 2425 C CA . THR A 1 311 ? -11.237 27.068 -0.878 1.00 8.63 ? 311 THR A CA 1 ATOM 2426 C C . THR A 1 311 ? -11.291 28.260 -1.850 1.00 7.92 ? 311 THR A C 1 ATOM 2427 O O . THR A 1 311 ? -11.249 29.423 -1.423 1.00 9.82 ? 311 THR A O 1 ATOM 2428 C CB . THR A 1 311 ? -12.648 26.422 -0.877 1.00 7.84 ? 311 THR A CB 1 ATOM 2429 O OG1 . THR A 1 311 ? -13.642 27.415 -0.609 1.00 9.68 ? 311 THR A OG1 1 ATOM 2430 C CG2 . THR A 1 311 ? -12.750 25.286 0.156 1.00 8.85 ? 311 THR A CG2 1 ATOM 2431 N N . PHE A 1 312 ? -11.152 27.983 -3.150 1.00 7.18 ? 312 PHE A N 1 ATOM 2432 C CA . PHE A 1 312 ? -10.861 28.990 -4.156 1.00 8.55 ? 312 PHE A CA 1 ATOM 2433 C C . PHE A 1 312 ? -11.994 29.193 -5.149 1.00 9.92 ? 312 PHE A C 1 ATOM 2434 O O . PHE A 1 312 ? -12.953 28.405 -5.191 1.00 9.81 ? 312 PHE A O 1 ATOM 2435 C CB . PHE A 1 312 ? -9.582 28.504 -4.887 1.00 9.09 ? 312 PHE A CB 1 ATOM 2436 C CG . PHE A 1 312 ? -8.438 28.196 -3.923 1.00 9.30 ? 312 PHE A CG 1 ATOM 2437 C CD1 . PHE A 1 312 ? -8.051 29.093 -2.920 1.00 9.15 ? 312 PHE A CD1 1 ATOM 2438 C CD2 . PHE A 1 312 ? -7.783 26.982 -4.038 1.00 10.25 ? 312 PHE A CD2 1 ATOM 2439 C CE1 . PHE A 1 312 ? -7.056 28.737 -2.014 1.00 8.34 ? 312 PHE A CE1 1 ATOM 2440 C CE2 . PHE A 1 312 ? -6.780 26.661 -3.108 1.00 11.43 ? 312 PHE A CE2 1 ATOM 2441 C CZ . PHE A 1 312 ? -6.381 27.525 -2.095 1.00 9.45 ? 312 PHE A CZ 1 ATOM 2442 N N . ALA A 1 313 ? -11.864 30.240 -5.968 1.00 10.96 ? 313 ALA A N 1 ATOM 2443 C CA . ALA A 1 313 ? -12.973 30.578 -6.874 1.00 11.88 ? 313 ALA A CA 1 ATOM 2444 C C . ALA A 1 313 ? -13.356 29.478 -7.855 1.00 12.71 ? 313 ALA A C 1 ATOM 2445 O O . ALA A 1 313 ? -14.540 29.390 -8.266 1.00 13.27 ? 313 ALA A O 1 ATOM 2446 C CB . ALA A 1 313 ? -12.638 31.853 -7.650 1.00 13.05 ? 313 ALA A CB 1 ATOM 2447 N N . ASN A 1 314 ? -12.381 28.624 -8.219 1.00 10.84 ? 314 ASN A N 1 ATOM 2448 C CA . ASN A 1 314 ? -12.691 27.543 -9.147 1.00 12.34 ? 314 ASN A CA 1 ATOM 2449 C C . ASN A 1 314 ? -13.254 26.306 -8.441 1.00 11.49 ? 314 ASN A C 1 ATOM 2450 O O . ASN A 1 314 ? -13.504 25.314 -9.139 1.00 13.16 ? 314 ASN A O 1 ATOM 2451 C CB . ASN A 1 314 ? -11.440 27.195 -9.935 1.00 13.24 ? 314 ASN A CB 1 ATOM 2452 C CG . ASN A 1 314 ? -10.369 26.505 -9.132 1.00 14.43 ? 314 ASN A CG 1 ATOM 2453 O OD1 . ASN A 1 314 ? -10.386 26.557 -7.894 1.00 11.71 ? 314 ASN A OD1 1 ATOM 2454 N ND2 . ASN A 1 314 ? -9.424 25.781 -9.781 1.00 18.43 ? 314 ASN A ND2 1 ATOM 2455 N N . GLY A 1 315 ? -13.475 26.327 -7.115 1.00 9.84 ? 315 GLY A N 1 ATOM 2456 C CA . GLY A 1 315 ? -14.040 25.179 -6.427 1.00 10.36 ? 315 GLY A CA 1 ATOM 2457 C C . GLY A 1 315 ? -12.956 24.238 -5.878 1.00 9.37 ? 315 GLY A C 1 ATOM 2458 O O . GLY A 1 315 ? -13.297 23.249 -5.211 1.00 9.64 ? 315 GLY A O 1 ATOM 2459 N N . ALA A 1 316 ? -11.669 24.487 -6.104 1.00 8.08 ? 316 ALA A N 1 ATOM 2460 C CA . ALA A 1 316 ? -10.652 23.639 -5.471 1.00 7.63 ? 316 ALA A CA 1 ATOM 2461 C C . ALA A 1 316 ? -10.475 24.036 -3.987 1.00 7.62 ? 316 ALA A C 1 ATOM 2462 O O . ALA A 1 316 ? -10.620 25.202 -3.653 1.00 9.80 ? 316 ALA A O 1 ATOM 2463 C CB . ALA A 1 316 ? -9.345 23.831 -6.233 1.00 9.94 ? 316 ALA A CB 1 ATOM 2464 N N . GLN A 1 317 ? -10.103 23.034 -3.180 1.00 7.76 ? 317 GLN A N 1 ATOM 2465 C CA . GLN A 1 317 ? -9.759 23.276 -1.786 1.00 8.93 ? 317 GLN A CA 1 ATOM 2466 C C . GLN A 1 317 ? -8.229 23.383 -1.692 1.00 8.58 ? 317 GLN A C 1 ATOM 2467 O O . GLN A 1 317 ? -7.460 22.836 -2.501 1.00 10.03 ? 317 GLN A O 1 ATOM 2468 C CB . GLN A 1 317 ? -10.330 22.189 -0.845 1.00 9.80 ? 317 GLN A CB 1 ATOM 2469 C CG . GLN A 1 317 ? -9.625 20.829 -1.010 1.00 12.06 ? 317 GLN A CG 1 ATOM 2470 C CD . GLN A 1 317 ? -10.450 19.713 -0.332 1.00 12.70 ? 317 GLN A CD 1 ATOM 2471 O OE1 . GLN A 1 317 ? -11.696 19.701 -0.395 1.00 13.58 ? 317 GLN A OE1 1 ATOM 2472 N NE2 . GLN A 1 317 ? -9.739 18.779 0.316 1.00 11.92 ? 317 GLN A NE2 1 ATOM 2473 N N . SER A 1 318 ? -7.790 24.014 -0.602 1.00 7.85 ? 318 SER A N 1 ATOM 2474 C CA . SER A 1 318 ? -6.347 24.066 -0.301 1.00 6.83 ? 318 SER A CA 1 ATOM 2475 C C . SER A 1 318 ? -5.832 22.721 0.161 1.00 7.87 ? 318 SER A C 1 ATOM 2476 O O . SER A 1 318 ? -6.602 21.809 0.506 1.00 9.80 ? 318 SER A O 1 ATOM 2477 C CB . SER A 1 318 ? -6.197 25.082 0.866 1.00 7.22 ? 318 SER A CB 1 ATOM 2478 O OG . SER A 1 318 ? -6.749 24.610 2.098 1.00 7.68 ? 318 SER A OG 1 ATOM 2479 N N . ASN A 1 319 ? -4.500 22.611 0.254 1.00 8.14 ? 319 ASN A N 1 ATOM 2480 C CA . ASN A 1 319 ? -3.913 21.463 0.949 1.00 8.56 ? 319 ASN A CA 1 ATOM 2481 C C . ASN A 1 319 ? -4.489 21.480 2.363 1.00 8.30 ? 319 ASN A C 1 ATOM 2482 O O . ASN A 1 319 ? -4.842 22.493 2.935 1.00 10.48 ? 319 ASN A O 1 ATOM 2483 C CB . ASN A 1 319 ? -2.384 21.673 1.065 1.00 9.41 ? 319 ASN A CB 1 ATOM 2484 C CG . ASN A 1 319 ? -1.649 21.457 -0.226 1.00 10.78 ? 319 ASN A CG 1 ATOM 2485 O OD1 . ASN A 1 319 ? -2.150 21.436 -1.350 1.00 11.98 ? 319 ASN A OD1 1 ATOM 2486 N ND2 . ASN A 1 319 ? -0.315 21.250 -0.164 1.00 10.01 ? 319 ASN A ND2 1 ATOM 2487 N N . SER A 1 320 ? -4.532 20.273 2.978 1.00 9.13 ? 320 SER A N 1 ATOM 2488 C CA . SER A 1 320 ? -5.091 20.140 4.313 1.00 9.30 ? 320 SER A CA 1 ATOM 2489 C C . SER A 1 320 ? -4.610 18.870 5.017 1.00 9.86 ? 320 SER A C 1 ATOM 2490 O O . SER A 1 320 ? -3.999 18.021 4.355 1.00 11.68 ? 320 SER A O 1 ATOM 2491 C CB . SER A 1 320 ? -6.631 20.082 4.170 1.00 9.58 ? 320 SER A CB 1 ATOM 2492 O OG . SER A 1 320 ? -7.096 18.924 3.455 1.00 11.19 ? 320 SER A OG 1 ATOM 2493 N N . ASP A 1 321 ? -4.885 18.776 6.298 1.00 9.00 ? 321 ASP A N 1 ATOM 2494 C CA . ASP A 1 321 ? -4.604 17.545 7.057 1.00 8.74 ? 321 ASP A CA 1 ATOM 2495 C C . ASP A 1 321 ? -5.654 17.448 8.149 1.00 8.76 ? 321 ASP A C 1 ATOM 2496 O O . ASP A 1 321 ? -6.622 18.231 8.181 1.00 10.31 ? 321 ASP A O 1 ATOM 2497 C CB . ASP A 1 321 ? -3.159 17.671 7.583 1.00 9.71 ? 321 ASP A CB 1 ATOM 2498 C CG . ASP A 1 321 ? -2.880 18.697 8.657 1.00 9.53 ? 321 ASP A CG 1 ATOM 2499 O OD1 . ASP A 1 321 ? -3.838 19.318 9.185 1.00 9.86 ? 321 ASP A OD1 1 ATOM 2500 O OD2 . ASP A 1 321 ? -1.657 18.922 8.936 1.00 10.47 ? 321 ASP A OD2 1 ATOM 2501 N N . PRO A 1 322 ? -5.568 16.466 9.044 1.00 10.22 ? 322 PRO A N 1 ATOM 2502 C CA . PRO A 1 322 ? -6.576 16.260 10.079 1.00 10.62 ? 322 PRO A CA 1 ATOM 2503 C C . PRO A 1 322 ? -6.698 17.396 11.084 1.00 10.05 ? 322 PRO A C 1 ATOM 2504 O O . PRO A 1 322 ? -7.605 17.356 11.943 1.00 14.09 ? 322 PRO A O 1 ATOM 2505 C CB . PRO A 1 322 ? -6.157 14.926 10.750 1.00 12.41 ? 322 PRO A CB 1 ATOM 2506 C CG . PRO A 1 322 ? -5.500 14.216 9.565 1.00 12.55 ? 322 PRO A CG 1 ATOM 2507 C CD . PRO A 1 322 ? -4.602 15.334 9.000 1.00 11.05 ? 322 PRO A CD 1 ATOM 2508 N N . TYR A 1 323 ? -5.789 18.381 11.070 1.00 9.53 ? 323 TYR A N 1 ATOM 2509 C CA . TYR A 1 323 ? -5.824 19.516 11.968 1.00 8.82 ? 323 TYR A CA 1 ATOM 2510 C C . TYR A 1 323 ? -6.339 20.769 11.287 1.00 8.61 ? 323 TYR A C 1 ATOM 2511 O O . TYR A 1 323 ? -6.432 21.864 11.912 1.00 10.94 ? 323 TYR A O 1 ATOM 2512 C CB . TYR A 1 323 ? -4.353 19.776 12.407 1.00 10.09 ? 323 TYR A CB 1 ATOM 2513 C CG . TYR A 1 323 ? -3.740 18.647 13.199 1.00 11.15 ? 323 TYR A CG 1 ATOM 2514 C CD1 . TYR A 1 323 ? -4.183 18.344 14.471 1.00 11.27 ? 323 TYR A CD1 1 ATOM 2515 C CD2 . TYR A 1 323 ? -2.716 17.914 12.639 1.00 13.09 ? 323 TYR A CD2 1 ATOM 2516 C CE1 . TYR A 1 323 ? -3.593 17.336 15.246 1.00 14.93 ? 323 TYR A CE1 1 ATOM 2517 C CE2 . TYR A 1 323 ? -2.114 16.902 13.400 1.00 16.99 ? 323 TYR A CE2 1 ATOM 2518 C CZ . TYR A 1 323 ? -2.583 16.627 14.667 1.00 17.34 ? 323 TYR A CZ 1 ATOM 2519 O OH . TYR A 1 323 ? -1.977 15.630 15.414 1.00 21.93 ? 323 TYR A OH 1 ATOM 2520 N N . THR A 1 324 ? -6.754 20.654 10.008 1.00 7.75 ? 324 THR A N 1 ATOM 2521 C CA . THR A 1 324 ? -7.217 21.883 9.336 1.00 7.56 ? 324 THR A CA 1 ATOM 2522 C C . THR A 1 324 ? -8.518 22.396 9.931 1.00 7.82 ? 324 THR A C 1 ATOM 2523 O O . THR A 1 324 ? -9.480 21.632 10.167 1.00 9.67 ? 324 THR A O 1 ATOM 2524 C CB . THR A 1 324 ? -7.457 21.501 7.838 1.00 7.18 ? 324 THR A CB 1 ATOM 2525 O OG1 . THR A 1 324 ? -6.168 21.288 7.239 1.00 8.67 ? 324 THR A OG1 1 ATOM 2526 C CG2 . THR A 1 324 ? -8.217 22.580 7.081 1.00 9.53 ? 324 THR A CG2 1 ATOM 2527 N N . VAL A 1 325 ? -8.568 23.721 10.146 1.00 7.83 ? 325 VAL A N 1 ATOM 2528 C CA . VAL A 1 325 ? -9.776 24.416 10.557 1.00 9.41 ? 325 VAL A CA 1 ATOM 2529 C C . VAL A 1 325 ? -10.197 25.203 9.310 1.00 8.81 ? 325 VAL A C 1 ATOM 2530 O O . VAL A 1 325 ? -9.564 26.168 8.862 1.00 8.65 ? 325 VAL A O 1 ATOM 2531 C CB . VAL A 1 325 ? -9.479 25.358 11.723 1.00 10.50 ? 325 VAL A CB 1 ATOM 2532 C CG1 . VAL A 1 325 ? -10.716 26.170 12.096 1.00 13.11 ? 325 VAL A CG1 1 ATOM 2533 C CG2 . VAL A 1 325 ? -8.999 24.558 12.930 1.00 11.98 ? 325 VAL A CG2 1 ATOM 2534 N N . TRP A 1 326 ? -11.275 24.755 8.665 1.00 8.52 ? 326 TRP A N 1 ATOM 2535 C CA . TRP A 1 326 ? -11.721 25.323 7.393 1.00 9.26 ? 326 TRP A CA 1 ATOM 2536 C C . TRP A 1 326 ? -12.367 26.687 7.562 1.00 9.50 ? 326 TRP A C 1 ATOM 2537 O O . TRP A 1 326 ? -13.265 26.827 8.413 1.00 8.95 ? 326 TRP A O 1 ATOM 2538 C CB . TRP A 1 326 ? -12.709 24.381 6.702 1.00 9.95 ? 326 TRP A CB 1 ATOM 2539 C CG . TRP A 1 326 ? -12.057 23.114 6.238 1.00 10.01 ? 326 TRP A CG 1 ATOM 2540 C CD1 . TRP A 1 326 ? -12.136 21.885 6.869 1.00 11.03 ? 326 TRP A CD1 1 ATOM 2541 C CD2 . TRP A 1 326 ? -11.264 22.909 5.060 1.00 8.75 ? 326 TRP A CD2 1 ATOM 2542 N NE1 . TRP A 1 326 ? -11.418 20.939 6.156 1.00 11.47 ? 326 TRP A NE1 1 ATOM 2543 C CE2 . TRP A 1 326 ? -10.865 21.563 5.058 1.00 9.68 ? 326 TRP A CE2 1 ATOM 2544 C CE3 . TRP A 1 326 ? -10.839 23.773 4.040 1.00 9.04 ? 326 TRP A CE3 1 ATOM 2545 C CZ2 . TRP A 1 326 ? -10.074 21.036 4.027 1.00 8.85 ? 326 TRP A CZ2 1 ATOM 2546 C CZ3 . TRP A 1 326 ? -10.050 23.274 3.008 1.00 9.21 ? 326 TRP A CZ3 1 ATOM 2547 C CH2 . TRP A 1 326 ? -9.681 21.904 3.035 1.00 8.99 ? 326 TRP A CH2 1 ATOM 2548 N N . TYR A 1 327 ? -11.959 27.693 6.780 1.00 9.42 ? 327 TYR A N 1 ATOM 2549 C CA . TYR A 1 327 ? -12.620 29.006 6.948 1.00 9.72 ? 327 TYR A CA 1 ATOM 2550 C C . TYR A 1 327 ? -14.139 28.870 6.823 1.00 10.06 ? 327 TYR A C 1 ATOM 2551 O O . TYR A 1 327 ? -14.703 28.148 5.983 1.00 10.97 ? 327 TYR A O 1 ATOM 2552 C CB . TYR A 1 327 ? -12.159 29.900 5.769 1.00 10.71 ? 327 TYR A CB 1 ATOM 2553 C CG . TYR A 1 327 ? -12.891 31.232 5.706 1.00 11.62 ? 327 TYR A CG 1 ATOM 2554 C CD1 . TYR A 1 327 ? -12.845 32.125 6.770 1.00 10.81 ? 327 TYR A CD1 1 ATOM 2555 C CD2 . TYR A 1 327 ? -13.621 31.524 4.562 1.00 11.01 ? 327 TYR A CD2 1 ATOM 2556 C CE1 . TYR A 1 327 ? -13.489 33.342 6.671 1.00 12.13 ? 327 TYR A CE1 1 ATOM 2557 C CE2 . TYR A 1 327 ? -14.323 32.724 4.504 1.00 11.02 ? 327 TYR A CE2 1 ATOM 2558 C CZ . TYR A 1 327 ? -14.228 33.615 5.557 1.00 12.10 ? 327 TYR A CZ 1 ATOM 2559 O OH . TYR A 1 327 ? -14.934 34.821 5.468 1.00 14.93 ? 327 TYR A OH 1 ATOM 2560 N N . ASN A 1 328 ? -14.855 29.622 7.667 1.00 10.46 ? 328 ASN A N 1 ATOM 2561 C CA . ASN A 1 328 ? -16.294 29.735 7.671 1.00 11.86 ? 328 ASN A CA 1 ATOM 2562 C C . ASN A 1 328 ? -17.016 28.530 8.240 1.00 12.48 ? 328 ASN A C 1 ATOM 2563 O O . ASN A 1 328 ? -18.256 28.580 8.326 1.00 15.15 ? 328 ASN A O 1 ATOM 2564 C CB . ASN A 1 328 ? -16.897 29.998 6.259 1.00 15.61 ? 328 ASN A CB 1 ATOM 2565 C CG . ASN A 1 328 ? -17.486 31.367 6.269 1.00 16.36 ? 328 ASN A CG 1 ATOM 2566 O OD1 . ASN A 1 328 ? -17.444 32.258 7.083 1.00 16.61 ? 328 ASN A OD1 1 ATOM 2567 N ND2 . ASN A 1 328 ? -18.151 31.668 5.105 1.00 19.32 ? 328 ASN A ND2 1 ATOM 2568 N N . SER A 1 329 ? -16.339 27.490 8.664 1.00 10.83 ? 329 SER A N 1 ATOM 2569 C CA . SER A 1 329 ? -16.930 26.308 9.259 1.00 10.61 ? 329 SER A CA 1 ATOM 2570 C C . SER A 1 329 ? -17.325 26.583 10.695 1.00 9.99 ? 329 SER A C 1 ATOM 2571 O O . SER A 1 329 ? -16.949 27.583 11.326 1.00 10.24 ? 329 SER A O 1 ATOM 2572 C CB . SER A 1 329 ? -15.958 25.130 9.228 1.00 12.25 ? 329 SER A CB 1 ATOM 2573 O OG . SER A 1 329 ? -14.783 25.374 10.067 1.00 11.80 ? 329 SER A OG 1 ATOM 2574 N N . SER A 1 330 ? -17.993 25.610 11.344 1.00 12.09 ? 330 SER A N 1 ATOM 2575 C CA . SER A 1 330 ? -18.293 25.724 12.756 1.00 12.07 ? 330 SER A CA 1 ATOM 2576 C C . SER A 1 330 ? -17.014 25.676 13.598 1.00 11.98 ? 330 SER A C 1 ATOM 2577 O O . SER A 1 330 ? -16.945 26.396 14.603 1.00 12.22 ? 330 SER A O 1 ATOM 2578 C CB . SER A 1 330 ? -19.273 24.623 13.163 1.00 14.90 ? 330 SER A CB 1 ATOM 2579 O OG A SER A 1 330 ? -18.820 23.328 12.953 0.50 9.12 ? 330 SER A OG 1 ATOM 2580 O OG B SER A 1 330 ? -20.241 24.357 12.166 0.50 19.30 ? 330 SER A OG 1 ATOM 2581 N N . ASN A 1 331 ? -15.964 24.989 13.146 1.00 11.23 ? 331 ASN A N 1 ATOM 2582 C CA . ASN A 1 331 ? -14.708 25.045 13.920 1.00 11.57 ? 331 ASN A CA 1 ATOM 2583 C C . ASN A 1 331 ? -14.092 26.426 13.765 1.00 10.93 ? 331 ASN A C 1 ATOM 2584 O O . ASN A 1 331 ? -13.395 26.858 14.724 1.00 10.20 ? 331 ASN A O 1 ATOM 2585 C CB . ASN A 1 331 ? -13.745 23.956 13.450 1.00 12.84 ? 331 ASN A CB 1 ATOM 2586 C CG . ASN A 1 331 ? -14.097 22.552 13.961 1.00 15.41 ? 331 ASN A CG 1 ATOM 2587 O OD1 . ASN A 1 331 ? -13.600 21.553 13.376 1.00 19.22 ? 331 ASN A OD1 1 ATOM 2588 N ND2 . ASN A 1 331 ? -14.876 22.526 15.019 1.00 15.18 ? 331 ASN A ND2 1 ATOM 2589 N N . TRP A 1 332 ? -14.211 27.090 12.610 1.00 10.75 ? 332 TRP A N 1 ATOM 2590 C CA . TRP A 1 332 ? -13.732 28.488 12.480 1.00 9.48 ? 332 TRP A CA 1 ATOM 2591 C C . TRP A 1 332 ? -14.465 29.374 13.467 1.00 10.93 ? 332 TRP A C 1 ATOM 2592 O O . TRP A 1 332 ? -13.916 30.273 14.093 1.00 10.62 ? 332 TRP A O 1 ATOM 2593 C CB . TRP A 1 332 ? -13.939 28.948 11.008 1.00 8.58 ? 332 TRP A CB 1 ATOM 2594 C CG . TRP A 1 332 ? -13.778 30.417 10.772 1.00 9.80 ? 332 TRP A CG 1 ATOM 2595 C CD1 . TRP A 1 332 ? -12.636 31.090 10.435 1.00 8.97 ? 332 TRP A CD1 1 ATOM 2596 C CD2 . TRP A 1 332 ? -14.805 31.441 10.844 1.00 10.71 ? 332 TRP A CD2 1 ATOM 2597 N NE1 . TRP A 1 332 ? -12.886 32.451 10.300 1.00 10.29 ? 332 TRP A NE1 1 ATOM 2598 C CE2 . TRP A 1 332 ? -14.218 32.673 10.526 1.00 10.58 ? 332 TRP A CE2 1 ATOM 2599 C CE3 . TRP A 1 332 ? -16.195 31.374 11.096 1.00 11.33 ? 332 TRP A CE3 1 ATOM 2600 C CZ2 . TRP A 1 332 ? -14.905 33.912 10.505 1.00 12.89 ? 332 TRP A CZ2 1 ATOM 2601 C CZ3 . TRP A 1 332 ? -16.860 32.592 11.055 1.00 14.34 ? 332 TRP A CZ3 1 ATOM 2602 C CH2 . TRP A 1 332 ? -16.256 33.805 10.776 1.00 13.61 ? 332 TRP A CH2 1 ATOM 2603 N N . GLN A 1 333 ? -15.803 29.205 13.564 1.00 11.00 ? 333 GLN A N 1 ATOM 2604 C CA . GLN A 1 333 ? -16.471 30.062 14.550 1.00 12.60 ? 333 GLN A CA 1 ATOM 2605 C C . GLN A 1 333 ? -15.912 29.816 15.946 1.00 12.21 ? 333 GLN A C 1 ATOM 2606 O O . GLN A 1 333 ? -15.736 30.767 16.709 1.00 12.89 ? 333 GLN A O 1 ATOM 2607 C CB . GLN A 1 333 ? -17.979 29.751 14.492 1.00 14.17 ? 333 GLN A CB 1 ATOM 2608 C CG . GLN A 1 333 ? -18.786 30.549 15.522 1.00 17.16 ? 333 GLN A CG 1 ATOM 2609 C CD . GLN A 1 333 ? -18.919 32.031 15.231 1.00 18.28 ? 333 GLN A CD 1 ATOM 2610 O OE1 . GLN A 1 333 ? -18.663 32.830 16.163 1.00 20.81 ? 333 GLN A OE1 1 ATOM 2611 N NE2 . GLN A 1 333 ? -19.395 32.409 14.050 1.00 18.58 ? 333 GLN A NE2 1 ATOM 2612 N N . CYS A 1 334 ? -15.741 28.546 16.304 1.00 10.46 ? 334 CYS A N 1 ATOM 2613 C CA . CYS A 1 334 ? -15.292 28.219 17.662 1.00 12.66 ? 334 CYS A CA 1 ATOM 2614 C C . CYS A 1 334 ? -13.851 28.647 17.983 1.00 12.20 ? 334 CYS A C 1 ATOM 2615 O O . CYS A 1 334 ? -13.586 29.122 19.087 1.00 12.79 ? 334 CYS A O 1 ATOM 2616 C CB . CYS A 1 334 ? -15.316 26.687 17.811 1.00 12.89 ? 334 CYS A CB 1 ATOM 2617 S SG . CYS A 1 334 ? -14.743 26.126 19.436 1.00 12.99 ? 334 CYS A SG 1 ATOM 2618 N N . LEU A 1 335 ? -12.930 28.403 17.029 1.00 10.70 ? 335 LEU A N 1 ATOM 2619 C CA . LEU A 1 335 ? -11.492 28.605 17.307 1.00 10.25 ? 335 LEU A CA 1 ATOM 2620 C C . LEU A 1 335 ? -10.883 29.832 16.694 1.00 9.40 ? 335 LEU A C 1 ATOM 2621 O O . LEU A 1 335 ? -9.708 30.162 16.949 1.00 11.02 ? 335 LEU A O 1 ATOM 2622 C CB . LEU A 1 335 ? -10.732 27.353 16.808 1.00 10.83 ? 335 LEU A CB 1 ATOM 2623 C CG . LEU A 1 335 ? -11.105 26.061 17.556 1.00 10.66 ? 335 LEU A CG 1 ATOM 2624 C CD1 . LEU A 1 335 ? -10.385 24.823 16.956 1.00 12.72 ? 335 LEU A CD1 1 ATOM 2625 C CD2 . LEU A 1 335 ? -10.782 26.144 19.055 1.00 12.40 ? 335 LEU A CD2 1 ATOM 2626 N N . VAL A 1 336 ? -11.625 30.558 15.836 1.00 9.77 ? 336 VAL A N 1 ATOM 2627 C CA . VAL A 1 336 ? -11.149 31.772 15.229 1.00 10.12 ? 336 VAL A CA 1 ATOM 2628 C C . VAL A 1 336 ? -12.063 32.951 15.638 1.00 10.87 ? 336 VAL A C 1 ATOM 2629 O O . VAL A 1 336 ? -11.566 33.799 16.421 1.00 10.56 ? 336 VAL A O 1 ATOM 2630 C CB . VAL A 1 336 ? -11.030 31.666 13.693 1.00 9.50 ? 336 VAL A CB 1 ATOM 2631 C CG1 . VAL A 1 336 ? -10.390 32.969 13.167 1.00 11.78 ? 336 VAL A CG1 1 ATOM 2632 C CG2 . VAL A 1 336 ? -10.245 30.419 13.270 1.00 10.99 ? 336 VAL A CG2 1 ATOM 2633 N N . LYS A 1 337 ? -13.314 32.991 15.198 1.00 11.72 ? 337 LYS A N 1 ATOM 2634 C CA . LYS A 1 337 ? -14.099 34.211 15.548 1.00 12.17 ? 337 LYS A CA 1 ATOM 2635 C C . LYS A 1 337 ? -14.259 34.352 17.058 1.00 12.25 ? 337 LYS A C 1 ATOM 2636 O O . LYS A 1 337 ? -14.070 35.475 17.563 1.00 13.45 ? 337 LYS A O 1 ATOM 2637 C CB . LYS A 1 337 ? -15.453 34.129 14.827 1.00 14.92 ? 337 LYS A CB 1 ATOM 2638 C CG . LYS A 1 337 ? -16.385 35.288 15.144 1.00 19.30 ? 337 LYS A CG 1 ATOM 2639 C CD . LYS A 1 337 ? -17.238 35.834 14.015 1.00 23.59 ? 337 LYS A CD 1 ATOM 2640 C CE . LYS A 1 337 ? -17.859 37.183 14.353 1.00 25.57 ? 337 LYS A CE 1 ATOM 2641 N NZ . LYS A 1 337 ? -18.447 37.256 15.720 1.00 25.86 ? 337 LYS A NZ 1 ATOM 2642 N N . ASN A 1 338 ? -14.567 33.280 17.795 1.00 12.19 ? 338 ASN A N 1 ATOM 2643 C CA . ASN A 1 338 ? -14.767 33.385 19.259 1.00 12.23 ? 338 ASN A CA 1 ATOM 2644 C C . ASN A 1 338 ? -13.474 33.817 19.941 1.00 13.09 ? 338 ASN A C 1 ATOM 2645 O O . ASN A 1 338 ? -13.465 34.575 20.947 1.00 15.44 ? 338 ASN A O 1 ATOM 2646 C CB . ASN A 1 338 ? -15.298 32.092 19.880 1.00 14.08 ? 338 ASN A CB 1 ATOM 2647 C CG . ASN A 1 338 ? -16.768 31.790 19.566 1.00 15.23 ? 338 ASN A CG 1 ATOM 2648 O OD1 . ASN A 1 338 ? -17.215 30.661 19.911 1.00 19.98 ? 338 ASN A OD1 1 ATOM 2649 N ND2 . ASN A 1 338 ? -17.414 32.655 18.840 1.00 13.77 ? 338 ASN A ND2 1 ATOM 2650 N N . HIS A 1 339 ? -12.324 33.301 19.455 1.00 12.24 ? 339 HIS A N 1 ATOM 2651 C CA . HIS A 1 339 ? -11.049 33.695 20.075 1.00 11.32 ? 339 HIS A CA 1 ATOM 2652 C C . HIS A 1 339 ? -10.670 35.122 19.794 1.00 11.66 ? 339 HIS A C 1 ATOM 2653 O O . HIS A 1 339 ? -10.294 35.846 20.741 1.00 11.10 ? 339 HIS A O 1 ATOM 2654 C CB . HIS A 1 339 ? -9.982 32.708 19.569 1.00 11.26 ? 339 HIS A CB 1 ATOM 2655 C CG . HIS A 1 339 ? -8.655 32.900 20.235 1.00 10.56 ? 339 HIS A CG 1 ATOM 2656 N ND1 . HIS A 1 339 ? -8.481 33.101 21.586 1.00 11.36 ? 339 HIS A ND1 1 ATOM 2657 C CD2 . HIS A 1 339 ? -7.408 32.852 19.650 1.00 11.90 ? 339 HIS A CD2 1 ATOM 2658 C CE1 . HIS A 1 339 ? -7.156 33.194 21.819 1.00 12.35 ? 339 HIS A CE1 1 ATOM 2659 N NE2 . HIS A 1 339 ? -6.478 33.015 20.673 1.00 11.46 ? 339 HIS A NE2 1 ATOM 2660 N N . VAL A 1 340 ? -10.753 35.612 18.567 1.00 12.04 ? 340 VAL A N 1 ATOM 2661 C CA . VAL A 1 340 ? -10.529 37.020 18.245 1.00 12.83 ? 340 VAL A CA 1 ATOM 2662 C C . VAL A 1 340 ? -11.479 37.904 19.058 1.00 13.46 ? 340 VAL A C 1 ATOM 2663 O O . VAL A 1 340 ? -11.038 38.901 19.644 1.00 13.27 ? 340 VAL A O 1 ATOM 2664 C CB . VAL A 1 340 ? -10.703 37.271 16.736 1.00 12.50 ? 340 VAL A CB 1 ATOM 2665 C CG1 . VAL A 1 340 ? -10.702 38.763 16.420 1.00 14.65 ? 340 VAL A CG1 1 ATOM 2666 C CG2 . VAL A 1 340 ? -9.575 36.544 15.984 1.00 12.80 ? 340 VAL A CG2 1 ATOM 2667 N N . ASP A 1 341 ? -12.739 37.468 19.191 1.00 14.31 ? 341 ASP A N 1 ATOM 2668 C CA . ASP A 1 341 ? -13.667 38.295 20.014 1.00 15.46 ? 341 ASP A CA 1 ATOM 2669 C C . ASP A 1 341 ? -13.229 38.341 21.449 1.00 16.16 ? 341 ASP A C 1 ATOM 2670 O O . ASP A 1 341 ? -13.316 39.426 22.076 1.00 18.71 ? 341 ASP A O 1 ATOM 2671 C CB . ASP A 1 341 ? -15.088 37.741 19.828 1.00 17.07 ? 341 ASP A CB 1 ATOM 2672 C CG . ASP A 1 341 ? -15.721 38.085 18.476 1.00 20.21 ? 341 ASP A CG 1 ATOM 2673 O OD1 . ASP A 1 341 ? -15.288 38.920 17.668 1.00 21.03 ? 341 ASP A OD1 1 ATOM 2674 O OD2 . ASP A 1 341 ? -16.785 37.421 18.276 1.00 23.24 ? 341 ASP A OD2 1 ATOM 2675 N N . ALA A 1 342 ? -12.659 37.277 22.011 1.00 15.81 ? 342 ALA A N 1 ATOM 2676 C CA . ALA A 1 342 ? -12.180 37.306 23.409 1.00 16.47 ? 342 ALA A CA 1 ATOM 2677 C C . ALA A 1 342 ? -10.973 38.195 23.566 1.00 17.22 ? 342 ALA A C 1 ATOM 2678 O O . ALA A 1 342 ? -10.777 38.796 24.613 1.00 19.16 ? 342 ALA A O 1 ATOM 2679 C CB . ALA A 1 342 ? -11.894 35.883 23.883 1.00 16.14 ? 342 ALA A CB 1 ATOM 2680 N N . ILE A 1 343 ? -10.086 38.201 22.561 1.00 16.91 ? 343 ILE A N 1 ATOM 2681 C CA . ILE A 1 343 ? -8.892 39.062 22.645 1.00 17.91 ? 343 ILE A CA 1 ATOM 2682 C C . ILE A 1 343 ? -9.270 40.527 22.619 1.00 22.35 ? 343 ILE A C 1 ATOM 2683 O O . ILE A 1 343 ? -8.631 41.362 23.272 1.00 21.81 ? 343 ILE A O 1 ATOM 2684 C CB . ILE A 1 343 ? -8.004 38.732 21.419 1.00 16.58 ? 343 ILE A CB 1 ATOM 2685 C CG1 . ILE A 1 343 ? -7.387 37.342 21.601 1.00 14.92 ? 343 ILE A CG1 1 ATOM 2686 C CG2 . ILE A 1 343 ? -6.904 39.767 21.179 1.00 17.78 ? 343 ILE A CG2 1 ATOM 2687 C CD1 . ILE A 1 343 ? -6.747 36.727 20.344 1.00 13.58 ? 343 ILE A CD1 1 ATOM 2688 N N . ASN A 1 344 ? -10.266 40.821 21.771 1.00 27.61 ? 344 ASN A N 1 ATOM 2689 C CA . ASN A 1 344 ? -10.643 42.208 21.530 1.00 35.55 ? 344 ASN A CA 1 ATOM 2690 C C . ASN A 1 344 ? -11.719 42.274 20.440 1.00 36.83 ? 344 ASN A C 1 ATOM 2691 O O . ASN A 1 344 ? -12.868 41.985 20.819 1.00 41.86 ? 344 ASN A O 1 ATOM 2692 C CB . ASN A 1 344 ? -9.407 42.978 21.054 1.00 40.50 ? 344 ASN A CB 1 ATOM 2693 C CG . ASN A 1 344 ? -9.295 44.298 21.798 1.00 44.62 ? 344 ASN A CG 1 ATOM 2694 O OD1 . ASN A 1 344 ? -9.707 44.402 22.964 1.00 47.64 ? 344 ASN A OD1 1 ATOM 2695 N ND2 . ASN A 1 344 ? -8.710 45.270 21.097 1.00 47.00 ? 344 ASN A ND2 1 ATOM 2696 O OXT . ASN A 1 344 ? -11.306 42.608 19.315 1.00 20.00 ? 344 ASN A OXT 1 HETATM 2697 S S . SO4 B 2 . ? -15.961 19.319 18.672 1.00 37.36 ? 402 SO4 A S 1 HETATM 2698 O O1 . SO4 B 2 . ? -15.001 19.834 17.555 1.00 37.22 ? 402 SO4 A O1 1 HETATM 2699 O O2 . SO4 B 2 . ? -16.313 17.912 18.341 1.00 36.77 ? 402 SO4 A O2 1 HETATM 2700 O O3 . SO4 B 2 . ? -17.164 20.190 18.699 1.00 35.47 ? 402 SO4 A O3 1 HETATM 2701 O O4 . SO4 B 2 . ? -15.220 19.458 19.965 1.00 34.72 ? 402 SO4 A O4 1 HETATM 2702 C C1 . GOL C 3 . ? 3.907 20.976 5.875 1.00 21.08 ? 410 GOL A C1 1 HETATM 2703 O O1 . GOL C 3 . ? 5.315 20.784 5.679 1.00 12.28 ? 410 GOL A O1 1 HETATM 2704 C C2 . GOL C 3 . ? 3.097 19.705 6.034 1.00 27.78 ? 410 GOL A C2 1 HETATM 2705 O O2 . GOL C 3 . ? 3.837 18.649 5.405 1.00 30.67 ? 410 GOL A O2 1 HETATM 2706 C C3 . GOL C 3 . ? 3.007 19.503 7.545 1.00 30.98 ? 410 GOL A C3 1 HETATM 2707 O O3 . GOL C 3 . ? 3.172 18.194 8.148 1.00 35.30 ? 410 GOL A O3 1 HETATM 2708 C C1 . NAG D 4 . ? 25.215 10.307 12.277 1.00 21.50 ? 430 NAG A C1 1 HETATM 2709 C C2 . NAG D 4 . ? 24.997 9.007 13.020 1.00 25.24 ? 430 NAG A C2 1 HETATM 2710 C C3 . NAG D 4 . ? 25.737 9.111 14.341 1.00 27.16 ? 430 NAG A C3 1 HETATM 2711 C C4 . NAG D 4 . ? 27.209 9.391 14.001 1.00 26.58 ? 430 NAG A C4 1 HETATM 2712 C C5 . NAG D 4 . ? 27.359 10.707 13.162 1.00 26.01 ? 430 NAG A C5 1 HETATM 2713 C C6 . NAG D 4 . ? 28.833 10.871 12.807 1.00 27.63 ? 430 NAG A C6 1 HETATM 2714 C C7 . NAG D 4 . ? 22.971 7.580 12.892 1.00 28.50 ? 430 NAG A C7 1 HETATM 2715 C C8 . NAG D 4 . ? 21.539 7.522 13.279 1.00 28.09 ? 430 NAG A C8 1 HETATM 2716 N N2 . NAG D 4 . ? 23.548 8.790 13.179 1.00 26.87 ? 430 NAG A N2 1 HETATM 2717 O O3 . NAG D 4 . ? 25.594 7.815 14.931 1.00 29.65 ? 430 NAG A O3 1 HETATM 2718 O O4 . NAG D 4 . ? 28.026 9.610 15.159 1.00 27.73 ? 430 NAG A O4 1 HETATM 2719 O O5 . NAG D 4 . ? 26.597 10.557 11.969 1.00 23.64 ? 430 NAG A O5 1 HETATM 2720 O O6 . NAG D 4 . ? 29.284 9.797 12.020 1.00 29.55 ? 430 NAG A O6 1 HETATM 2721 O O7 . NAG D 4 . ? 23.579 6.729 12.391 1.00 30.25 ? 430 NAG A O7 1 HETATM 2722 C C1 . NAG E 4 . ? 16.762 49.019 4.760 1.00 8.39 ? 431 NAG A C1 1 HETATM 2723 C C2 . NAG E 4 . ? 17.104 50.483 4.631 1.00 7.92 ? 431 NAG A C2 1 HETATM 2724 C C3 . NAG E 4 . ? 18.546 50.632 5.053 1.00 8.96 ? 431 NAG A C3 1 HETATM 2725 C C4 . NAG E 4 . ? 18.728 49.994 6.437 1.00 8.74 ? 431 NAG A C4 1 HETATM 2726 C C5 . NAG E 4 . ? 18.287 48.515 6.448 1.00 9.54 ? 431 NAG A C5 1 HETATM 2727 C C6 . NAG E 4 . ? 18.357 47.928 7.850 1.00 10.61 ? 431 NAG A C6 1 HETATM 2728 C C7 . NAG E 4 . ? 16.254 52.010 2.865 1.00 11.23 ? 431 NAG A C7 1 HETATM 2729 C C8 . NAG E 4 . ? 16.304 52.224 1.396 1.00 12.44 ? 431 NAG A C8 1 HETATM 2730 N N2 . NAG E 4 . ? 16.905 50.856 3.199 1.00 9.63 ? 431 NAG A N2 1 HETATM 2731 O O3 . NAG E 4 . ? 18.804 52.037 5.090 1.00 10.98 ? 431 NAG A O3 1 HETATM 2732 O O4 . NAG E 4 . ? 20.144 50.019 6.759 1.00 12.05 ? 431 NAG A O4 1 HETATM 2733 O O5 . NAG E 4 . ? 16.908 48.468 6.070 1.00 8.57 ? 431 NAG A O5 1 HETATM 2734 O O6 . NAG E 4 . ? 18.160 46.474 7.806 1.00 11.85 ? 431 NAG A O6 1 HETATM 2735 O O7 . NAG E 4 . ? 15.738 52.704 3.673 1.00 12.27 ? 431 NAG A O7 1 HETATM 2736 C C1 . NAG F 4 . ? -4.357 13.196 32.222 1.00 52.20 ? 432 NAG A C1 1 HETATM 2737 C C2 . NAG F 4 . ? -5.615 13.297 33.084 1.00 55.10 ? 432 NAG A C2 1 HETATM 2738 C C3 . NAG F 4 . ? -5.302 13.944 34.421 1.00 56.52 ? 432 NAG A C3 1 HETATM 2739 C C4 . NAG F 4 . ? -3.867 13.501 34.812 1.00 57.40 ? 432 NAG A C4 1 HETATM 2740 C C5 . NAG F 4 . ? -2.898 14.266 33.882 1.00 57.21 ? 432 NAG A C5 1 HETATM 2741 C C6 . NAG F 4 . ? -1.494 13.687 33.863 1.00 57.77 ? 432 NAG A C6 1 HETATM 2742 C C7 . NAG F 4 . ? -7.570 13.599 31.533 1.00 56.79 ? 432 NAG A C7 1 HETATM 2743 C C8 . NAG F 4 . ? -8.788 14.436 31.378 1.00 56.42 ? 432 NAG A C8 1 HETATM 2744 N N2 . NAG F 4 . ? -6.702 14.084 32.458 1.00 56.04 ? 432 NAG A N2 1 HETATM 2745 O O3 . NAG F 4 . ? -6.220 13.549 35.430 1.00 56.51 ? 432 NAG A O3 1 HETATM 2746 O O4 . NAG F 4 . ? -3.602 13.849 36.177 1.00 58.13 ? 432 NAG A O4 1 HETATM 2747 O O5 . NAG F 4 . ? -3.397 14.218 32.565 1.00 56.35 ? 432 NAG A O5 1 HETATM 2748 O O6 . NAG F 4 . ? -0.607 14.530 33.209 1.00 58.17 ? 432 NAG A O6 1 HETATM 2749 O O7 . NAG F 4 . ? -7.353 12.619 30.973 1.00 57.48 ? 432 NAG A O7 1 HETATM 2750 C C1 . NAG G 4 . ? -18.955 32.907 4.468 1.00 24.72 ? 433 NAG A C1 1 HETATM 2751 C C2 . NAG G 4 . ? -19.130 33.020 2.976 1.00 28.90 ? 433 NAG A C2 1 HETATM 2752 C C3 . NAG G 4 . ? -20.025 34.162 2.615 1.00 30.13 ? 433 NAG A C3 1 HETATM 2753 C C4 . NAG G 4 . ? -21.266 34.060 3.529 1.00 29.17 ? 433 NAG A C4 1 HETATM 2754 C C5 . NAG G 4 . ? -20.979 33.933 5.030 1.00 25.66 ? 433 NAG A C5 1 HETATM 2755 C C6 . NAG G 4 . ? -22.250 33.558 5.802 1.00 23.61 ? 433 NAG A C6 1 HETATM 2756 C C7 . NAG G 4 . ? -17.307 32.176 1.553 1.00 32.37 ? 433 NAG A C7 1 HETATM 2757 C C8 . NAG G 4 . ? -15.923 32.436 1.049 1.00 33.15 ? 433 NAG A C8 1 HETATM 2758 N N2 . NAG G 4 . ? -17.779 33.164 2.350 1.00 30.94 ? 433 NAG A N2 1 HETATM 2759 O O3 . NAG G 4 . ? -20.407 34.017 1.234 1.00 30.96 ? 433 NAG A O3 1 HETATM 2760 O O4 . NAG G 4 . ? -21.987 35.306 3.400 1.00 32.45 ? 433 NAG A O4 1 HETATM 2761 O O5 . NAG G 4 . ? -20.139 32.804 5.280 1.00 24.32 ? 433 NAG A O5 1 HETATM 2762 O O6 . NAG G 4 . ? -22.003 33.676 7.178 1.00 20.18 ? 433 NAG A O6 1 HETATM 2763 O O7 . NAG G 4 . ? -17.911 31.226 1.288 1.00 34.66 ? 433 NAG A O7 1 HETATM 2764 O O . HOH H 5 . ? 6.681 52.362 8.450 1.00 27.03 ? 2001 HOH A O 1 HETATM 2765 O O . HOH H 5 . ? 11.083 50.129 14.335 1.00 33.93 ? 2002 HOH A O 1 HETATM 2766 O O . HOH H 5 . ? 13.368 45.278 17.197 1.00 35.28 ? 2003 HOH A O 1 HETATM 2767 O O . HOH H 5 . ? 4.835 48.684 14.984 1.00 28.57 ? 2004 HOH A O 1 HETATM 2768 O O . HOH H 5 . ? 12.074 48.880 19.481 1.00 27.75 ? 2005 HOH A O 1 HETATM 2769 O O . HOH H 5 . ? 13.013 42.868 24.196 1.00 18.46 ? 2006 HOH A O 1 HETATM 2770 O O . HOH H 5 . ? 8.854 51.097 12.113 1.00 35.53 ? 2007 HOH A O 1 HETATM 2771 O O . HOH H 5 . ? 12.081 44.459 15.068 1.00 12.13 ? 2008 HOH A O 1 HETATM 2772 O O . HOH H 5 . ? -12.891 30.800 -11.471 1.00 47.46 ? 2009 HOH A O 1 HETATM 2773 O O . HOH H 5 . ? 8.095 49.218 20.053 1.00 23.83 ? 2010 HOH A O 1 HETATM 2774 O O . HOH H 5 . ? 11.990 44.992 19.441 1.00 19.49 ? 2011 HOH A O 1 HETATM 2775 O O . HOH H 5 . ? 10.352 48.698 21.603 1.00 20.36 ? 2012 HOH A O 1 HETATM 2776 O O . HOH H 5 . ? 5.931 50.998 22.712 1.00 43.34 ? 2013 HOH A O 1 HETATM 2777 O O . HOH H 5 . ? 3.732 45.412 26.655 1.00 27.36 ? 2014 HOH A O 1 HETATM 2778 O O . HOH H 5 . ? 5.110 47.881 26.936 1.00 27.97 ? 2015 HOH A O 1 HETATM 2779 O O . HOH H 5 . ? 10.952 41.646 25.585 1.00 18.54 ? 2016 HOH A O 1 HETATM 2780 O O . HOH H 5 . ? 4.487 43.525 28.599 1.00 25.78 ? 2017 HOH A O 1 HETATM 2781 O O . HOH H 5 . ? 3.196 38.850 28.159 1.00 24.73 ? 2018 HOH A O 1 HETATM 2782 O O . HOH H 5 . ? -0.970 24.745 -4.653 1.00 32.24 ? 2019 HOH A O 1 HETATM 2783 O O . HOH H 5 . ? 0.884 44.643 29.949 1.00 43.55 ? 2020 HOH A O 1 HETATM 2784 O O . HOH H 5 . ? 4.397 52.411 18.326 1.00 32.29 ? 2021 HOH A O 1 HETATM 2785 O O . HOH H 5 . ? -11.399 35.120 -8.602 1.00 29.59 ? 2022 HOH A O 1 HETATM 2786 O O . HOH H 5 . ? -13.329 34.155 -4.675 1.00 60.26 ? 2023 HOH A O 1 HETATM 2787 O O . HOH H 5 . ? -10.192 31.095 -10.521 1.00 33.97 ? 2024 HOH A O 1 HETATM 2788 O O . HOH H 5 . ? -9.453 32.133 32.357 1.00 56.45 ? 2025 HOH A O 1 HETATM 2789 O O . HOH H 5 . ? -2.145 45.905 14.834 1.00 14.04 ? 2026 HOH A O 1 HETATM 2790 O O . HOH H 5 . ? -8.627 40.604 -8.625 1.00 30.93 ? 2027 HOH A O 1 HETATM 2791 O O . HOH H 5 . ? -5.793 38.119 -9.908 1.00 39.47 ? 2028 HOH A O 1 HETATM 2792 O O . HOH H 5 . ? 0.049 46.791 7.957 1.00 35.90 ? 2029 HOH A O 1 HETATM 2793 O O . HOH H 5 . ? 4.442 46.437 13.142 1.00 18.55 ? 2030 HOH A O 1 HETATM 2794 O O . HOH H 5 . ? -2.448 50.149 13.327 1.00 31.56 ? 2031 HOH A O 1 HETATM 2795 O O . HOH H 5 . ? 16.080 11.587 11.418 1.00 23.97 ? 2032 HOH A O 1 HETATM 2796 O O . HOH H 5 . ? -0.028 43.799 18.850 1.00 27.54 ? 2033 HOH A O 1 HETATM 2797 O O . HOH H 5 . ? -16.025 40.060 4.118 1.00 62.96 ? 2034 HOH A O 1 HETATM 2798 O O . HOH H 5 . ? -10.647 42.550 15.129 1.00 27.10 ? 2035 HOH A O 1 HETATM 2799 O O . HOH H 5 . ? -0.962 50.192 21.936 1.00 23.73 ? 2036 HOH A O 1 HETATM 2800 O O . HOH H 5 . ? -4.440 42.974 21.777 1.00 33.26 ? 2037 HOH A O 1 HETATM 2801 O O . HOH H 5 . ? -4.895 41.474 18.401 1.00 35.13 ? 2038 HOH A O 1 HETATM 2802 O O . HOH H 5 . ? -3.576 42.426 24.928 1.00 31.00 ? 2039 HOH A O 1 HETATM 2803 O O . HOH H 5 . ? -5.262 39.353 16.377 1.00 14.68 ? 2040 HOH A O 1 HETATM 2804 O O . HOH H 5 . ? -4.974 31.700 16.671 1.00 10.85 ? 2041 HOH A O 1 HETATM 2805 O O . HOH H 5 . ? -1.417 19.748 4.455 1.00 17.59 ? 2042 HOH A O 1 HETATM 2806 O O . HOH H 5 . ? -0.634 25.465 -2.065 1.00 14.89 ? 2043 HOH A O 1 HETATM 2807 O O . HOH H 5 . ? 12.827 27.772 37.057 1.00 39.57 ? 2044 HOH A O 1 HETATM 2808 O O . HOH H 5 . ? 19.467 33.756 -5.638 1.00 32.32 ? 2045 HOH A O 1 HETATM 2809 O O . HOH H 5 . ? 10.969 11.005 14.090 1.00 55.19 ? 2046 HOH A O 1 HETATM 2810 O O . HOH H 5 . ? 2.054 24.647 -6.057 1.00 25.06 ? 2047 HOH A O 1 HETATM 2811 O O . HOH H 5 . ? 18.381 37.429 -7.650 1.00 36.19 ? 2048 HOH A O 1 HETATM 2812 O O . HOH H 5 . ? -1.388 26.370 -6.787 1.00 31.74 ? 2049 HOH A O 1 HETATM 2813 O O . HOH H 5 . ? -2.150 28.860 -11.687 1.00 37.25 ? 2050 HOH A O 1 HETATM 2814 O O . HOH H 5 . ? -3.005 32.699 -12.551 1.00 38.10 ? 2051 HOH A O 1 HETATM 2815 O O . HOH H 5 . ? 9.095 42.182 -3.200 1.00 34.24 ? 2052 HOH A O 1 HETATM 2816 O O . HOH H 5 . ? 8.181 29.619 37.166 1.00 29.29 ? 2053 HOH A O 1 HETATM 2817 O O . HOH H 5 . ? 5.689 31.218 37.338 1.00 28.97 ? 2054 HOH A O 1 HETATM 2818 O O . HOH H 5 . ? 2.332 33.696 -8.047 1.00 30.73 ? 2055 HOH A O 1 HETATM 2819 O O . HOH H 5 . ? -2.456 40.502 -9.274 1.00 43.08 ? 2056 HOH A O 1 HETATM 2820 O O . HOH H 5 . ? -2.278 34.719 -11.119 1.00 23.28 ? 2057 HOH A O 1 HETATM 2821 O O . HOH H 5 . ? 0.474 34.588 -11.933 1.00 63.24 ? 2058 HOH A O 1 HETATM 2822 O O . HOH H 5 . ? -10.940 34.712 -5.936 1.00 19.28 ? 2059 HOH A O 1 HETATM 2823 O O . HOH H 5 . ? -9.768 37.009 -5.128 1.00 28.38 ? 2060 HOH A O 1 HETATM 2824 O O . HOH H 5 . ? 1.985 16.330 14.371 1.00 44.39 ? 2061 HOH A O 1 HETATM 2825 O O . HOH H 5 . ? -7.447 27.453 -7.792 1.00 23.45 ? 2062 HOH A O 1 HETATM 2826 O O . HOH H 5 . ? -9.497 29.773 -8.234 1.00 15.55 ? 2063 HOH A O 1 HETATM 2827 O O . HOH H 5 . ? -3.336 28.756 -6.821 1.00 16.41 ? 2064 HOH A O 1 HETATM 2828 O O . HOH H 5 . ? -9.805 32.224 -5.140 1.00 11.85 ? 2065 HOH A O 1 HETATM 2829 O O . HOH H 5 . ? -10.719 33.954 30.674 1.00 40.31 ? 2066 HOH A O 1 HETATM 2830 O O . HOH H 5 . ? -8.711 37.492 28.528 1.00 31.11 ? 2067 HOH A O 1 HETATM 2831 O O . HOH H 5 . ? -12.911 31.304 30.033 1.00 54.65 ? 2068 HOH A O 1 HETATM 2832 O O . HOH H 5 . ? -4.173 40.290 -2.020 1.00 25.74 ? 2069 HOH A O 1 HETATM 2833 O O . HOH H 5 . ? -8.635 38.803 -6.561 1.00 22.21 ? 2070 HOH A O 1 HETATM 2834 O O . HOH H 5 . ? -5.025 39.774 -8.067 1.00 32.42 ? 2071 HOH A O 1 HETATM 2835 O O . HOH H 5 . ? -9.454 31.467 -0.477 1.00 8.67 ? 2072 HOH A O 1 HETATM 2836 O O . HOH H 5 . ? 16.317 14.333 7.971 1.00 19.16 ? 2073 HOH A O 1 HETATM 2837 O O . HOH H 5 . ? 14.497 13.802 11.315 1.00 15.26 ? 2074 HOH A O 1 HETATM 2838 O O . HOH H 5 . ? 12.688 12.580 9.565 1.00 22.88 ? 2075 HOH A O 1 HETATM 2839 O O . HOH H 5 . ? 6.356 15.369 11.154 1.00 51.52 ? 2076 HOH A O 1 HETATM 2840 O O . HOH H 5 . ? -11.293 41.315 -0.589 1.00 28.03 ? 2077 HOH A O 1 HETATM 2841 O O . HOH H 5 . ? -10.242 41.528 3.921 1.00 28.46 ? 2078 HOH A O 1 HETATM 2842 O O . HOH H 5 . ? -14.522 35.436 -0.593 1.00 27.46 ? 2079 HOH A O 1 HETATM 2843 O O . HOH H 5 . ? 24.122 10.269 -0.554 1.00 40.28 ? 2080 HOH A O 1 HETATM 2844 O O . HOH H 5 . ? -9.962 43.247 9.618 1.00 37.25 ? 2081 HOH A O 1 HETATM 2845 O O . HOH H 5 . ? -9.982 43.156 6.652 1.00 53.15 ? 2082 HOH A O 1 HETATM 2846 O O . HOH H 5 . ? -7.915 43.275 4.470 1.00 30.40 ? 2083 HOH A O 1 HETATM 2847 O O . HOH H 5 . ? -13.082 38.231 3.568 1.00 20.70 ? 2084 HOH A O 1 HETATM 2848 O O . HOH H 5 . ? -15.069 37.687 11.141 1.00 27.65 ? 2085 HOH A O 1 HETATM 2849 O O . HOH H 5 . ? -14.567 36.738 7.662 1.00 31.33 ? 2086 HOH A O 1 HETATM 2850 O O . HOH H 5 . ? 17.959 12.024 13.223 1.00 20.46 ? 2087 HOH A O 1 HETATM 2851 O O . HOH H 5 . ? 26.069 15.421 17.402 1.00 37.00 ? 2088 HOH A O 1 HETATM 2852 O O . HOH H 5 . ? -13.681 36.892 13.311 1.00 26.70 ? 2089 HOH A O 1 HETATM 2853 O O . HOH H 5 . ? -7.805 41.964 15.051 1.00 17.95 ? 2090 HOH A O 1 HETATM 2854 O O . HOH H 5 . ? 27.789 18.160 16.028 1.00 29.35 ? 2091 HOH A O 1 HETATM 2855 O O . HOH H 5 . ? -6.893 41.292 10.738 1.00 18.63 ? 2092 HOH A O 1 HETATM 2856 O O . HOH H 5 . ? 32.857 21.206 2.688 1.00 22.73 ? 2093 HOH A O 1 HETATM 2857 O O . HOH H 5 . ? 30.429 24.354 -0.407 1.00 21.60 ? 2094 HOH A O 1 HETATM 2858 O O . HOH H 5 . ? -5.505 46.491 16.825 1.00 24.60 ? 2095 HOH A O 1 HETATM 2859 O O . HOH H 5 . ? -2.461 43.330 18.850 1.00 31.25 ? 2096 HOH A O 1 HETATM 2860 O O . HOH H 5 . ? 29.185 27.509 -2.542 1.00 46.56 ? 2097 HOH A O 1 HETATM 2861 O O . HOH H 5 . ? 28.477 29.597 -1.588 1.00 45.20 ? 2098 HOH A O 1 HETATM 2862 O O . HOH H 5 . ? 25.045 34.652 -1.699 1.00 42.03 ? 2099 HOH A O 1 HETATM 2863 O O . HOH H 5 . ? 18.833 36.065 -5.081 1.00 25.21 ? 2100 HOH A O 1 HETATM 2864 O O . HOH H 5 . ? 15.377 41.395 -4.267 1.00 33.23 ? 2101 HOH A O 1 HETATM 2865 O O . HOH H 5 . ? 5.834 22.327 -4.654 1.00 16.27 ? 2102 HOH A O 1 HETATM 2866 O O . HOH H 5 . ? 8.695 20.131 -3.722 1.00 23.88 ? 2103 HOH A O 1 HETATM 2867 O O . HOH H 5 . ? 13.268 22.606 3.681 1.00 7.85 ? 2104 HOH A O 1 HETATM 2868 O O . HOH H 5 . ? 13.977 26.366 -0.386 1.00 8.71 ? 2105 HOH A O 1 HETATM 2869 O O . HOH H 5 . ? 12.238 17.556 -2.283 1.00 28.95 ? 2106 HOH A O 1 HETATM 2870 O O . HOH H 5 . ? 14.623 15.854 -1.432 1.00 16.47 ? 2107 HOH A O 1 HETATM 2871 O O . HOH H 5 . ? 13.855 16.023 -5.285 1.00 21.00 ? 2108 HOH A O 1 HETATM 2872 O O . HOH H 5 . ? 7.360 13.975 21.591 1.00 37.38 ? 2109 HOH A O 1 HETATM 2873 O O . HOH H 5 . ? 11.620 17.431 -7.703 1.00 46.78 ? 2110 HOH A O 1 HETATM 2874 O O . HOH H 5 . ? 15.522 14.050 -6.379 1.00 48.62 ? 2111 HOH A O 1 HETATM 2875 O O . HOH H 5 . ? 28.265 17.381 20.801 1.00 38.49 ? 2112 HOH A O 1 HETATM 2876 O O . HOH H 5 . ? 11.276 15.391 -11.846 1.00 55.83 ? 2113 HOH A O 1 HETATM 2877 O O . HOH H 5 . ? 24.110 27.708 26.631 1.00 24.73 ? 2114 HOH A O 1 HETATM 2878 O O . HOH H 5 . ? 28.533 22.290 17.711 1.00 21.89 ? 2115 HOH A O 1 HETATM 2879 O O . HOH H 5 . ? 31.117 23.118 20.001 1.00 41.52 ? 2116 HOH A O 1 HETATM 2880 O O . HOH H 5 . ? 31.676 26.453 21.030 1.00 35.59 ? 2117 HOH A O 1 HETATM 2881 O O . HOH H 5 . ? 16.584 27.884 -13.227 1.00 48.00 ? 2118 HOH A O 1 HETATM 2882 O O . HOH H 5 . ? 11.027 22.410 -13.218 1.00 26.51 ? 2119 HOH A O 1 HETATM 2883 O O . HOH H 5 . ? 27.193 32.033 23.021 1.00 34.12 ? 2120 HOH A O 1 HETATM 2884 O O . HOH H 5 . ? 7.469 17.473 -10.074 1.00 49.24 ? 2121 HOH A O 1 HETATM 2885 O O . HOH H 5 . ? 4.642 17.019 -11.105 1.00 23.20 ? 2122 HOH A O 1 HETATM 2886 O O . HOH H 5 . ? 23.440 31.949 25.218 1.00 25.29 ? 2123 HOH A O 1 HETATM 2887 O O . HOH H 5 . ? 3.669 20.889 -13.877 1.00 27.34 ? 2124 HOH A O 1 HETATM 2888 O O . HOH H 5 . ? 23.269 39.823 16.567 1.00 30.52 ? 2125 HOH A O 1 HETATM 2889 O O . HOH H 5 . ? 24.456 42.777 13.348 1.00 36.41 ? 2126 HOH A O 1 HETATM 2890 O O . HOH H 5 . ? 27.779 39.002 12.484 1.00 42.83 ? 2127 HOH A O 1 HETATM 2891 O O . HOH H 5 . ? 9.139 24.133 -12.745 1.00 18.45 ? 2128 HOH A O 1 HETATM 2892 O O . HOH H 5 . ? 2.299 17.480 -12.340 1.00 17.91 ? 2129 HOH A O 1 HETATM 2893 O O . HOH H 5 . ? 19.782 44.455 15.099 1.00 34.71 ? 2130 HOH A O 1 HETATM 2894 O O . HOH H 5 . ? 8.649 20.749 -6.427 1.00 25.86 ? 2131 HOH A O 1 HETATM 2895 O O . HOH H 5 . ? 3.741 23.289 -7.853 1.00 24.35 ? 2132 HOH A O 1 HETATM 2896 O O . HOH H 5 . ? 18.025 51.642 10.224 1.00 29.61 ? 2133 HOH A O 1 HETATM 2897 O O . HOH H 5 . ? 14.264 47.701 16.011 1.00 31.34 ? 2134 HOH A O 1 HETATM 2898 O O . HOH H 5 . ? 22.795 19.099 -10.627 1.00 40.99 ? 2135 HOH A O 1 HETATM 2899 O O . HOH H 5 . ? 20.892 16.960 -6.441 1.00 38.64 ? 2136 HOH A O 1 HETATM 2900 O O . HOH H 5 . ? 14.520 26.183 33.350 1.00 21.85 ? 2137 HOH A O 1 HETATM 2901 O O . HOH H 5 . ? 11.845 16.236 34.191 1.00 43.86 ? 2138 HOH A O 1 HETATM 2902 O O . HOH H 5 . ? 14.479 25.644 35.942 1.00 24.17 ? 2139 HOH A O 1 HETATM 2903 O O . HOH H 5 . ? 3.036 21.848 34.410 1.00 49.47 ? 2140 HOH A O 1 HETATM 2904 O O . HOH H 5 . ? 4.506 18.389 37.377 1.00 57.92 ? 2141 HOH A O 1 HETATM 2905 O O . HOH H 5 . ? 6.874 14.302 39.322 1.00 51.89 ? 2142 HOH A O 1 HETATM 2906 O O . HOH H 5 . ? 29.570 20.206 -2.659 1.00 21.56 ? 2143 HOH A O 1 HETATM 2907 O O . HOH H 5 . ? 23.714 15.961 -5.174 1.00 30.65 ? 2144 HOH A O 1 HETATM 2908 O O . HOH H 5 . ? 28.319 22.244 -4.336 1.00 26.46 ? 2145 HOH A O 1 HETATM 2909 O O . HOH H 5 . ? 27.311 19.168 -13.180 1.00 37.36 ? 2146 HOH A O 1 HETATM 2910 O O . HOH H 5 . ? 0.854 19.493 33.079 1.00 40.51 ? 2147 HOH A O 1 HETATM 2911 O O . HOH H 5 . ? 24.760 21.163 -10.175 1.00 22.26 ? 2148 HOH A O 1 HETATM 2912 O O . HOH H 5 . ? 21.599 23.171 -9.200 1.00 21.70 ? 2149 HOH A O 1 HETATM 2913 O O . HOH H 5 . ? 25.683 26.738 -8.463 1.00 29.83 ? 2150 HOH A O 1 HETATM 2914 O O . HOH H 5 . ? 25.970 23.576 -3.757 1.00 24.32 ? 2151 HOH A O 1 HETATM 2915 O O . HOH H 5 . ? 13.408 10.777 15.410 1.00 42.34 ? 2152 HOH A O 1 HETATM 2916 O O . HOH H 5 . ? 21.461 30.305 -7.640 1.00 31.62 ? 2153 HOH A O 1 HETATM 2917 O O . HOH H 5 . ? 19.401 32.564 -7.933 1.00 30.57 ? 2154 HOH A O 1 HETATM 2918 O O . HOH H 5 . ? 18.545 34.589 -9.555 1.00 38.83 ? 2155 HOH A O 1 HETATM 2919 O O . HOH H 5 . ? 12.801 37.561 -9.277 1.00 18.49 ? 2156 HOH A O 1 HETATM 2920 O O . HOH H 5 . ? 16.258 31.774 -10.918 1.00 22.95 ? 2157 HOH A O 1 HETATM 2921 O O . HOH H 5 . ? 24.332 38.912 19.188 1.00 29.73 ? 2158 HOH A O 1 HETATM 2922 O O . HOH H 5 . ? 26.208 35.853 23.725 1.00 41.87 ? 2159 HOH A O 1 HETATM 2923 O O . HOH H 5 . ? 19.002 43.093 19.133 1.00 37.29 ? 2160 HOH A O 1 HETATM 2924 O O . HOH H 5 . ? 10.413 33.028 -14.863 1.00 28.95 ? 2161 HOH A O 1 HETATM 2925 O O . HOH H 5 . ? 4.596 33.584 -9.808 1.00 30.95 ? 2162 HOH A O 1 HETATM 2926 O O . HOH H 5 . ? 12.010 25.876 -13.450 1.00 22.35 ? 2163 HOH A O 1 HETATM 2927 O O . HOH H 5 . ? 12.319 29.482 -13.615 1.00 40.02 ? 2164 HOH A O 1 HETATM 2928 O O . HOH H 5 . ? 6.965 9.126 23.742 1.00 50.80 ? 2165 HOH A O 1 HETATM 2929 O O . HOH H 5 . ? 10.505 35.705 -14.645 1.00 47.19 ? 2166 HOH A O 1 HETATM 2930 O O . HOH H 5 . ? 5.236 38.078 -7.708 1.00 19.53 ? 2167 HOH A O 1 HETATM 2931 O O . HOH H 5 . ? 5.286 35.687 -11.290 1.00 29.61 ? 2168 HOH A O 1 HETATM 2932 O O . HOH H 5 . ? -0.660 10.688 30.011 1.00 62.33 ? 2169 HOH A O 1 HETATM 2933 O O . HOH H 5 . ? 1.801 33.566 -5.289 1.00 17.39 ? 2170 HOH A O 1 HETATM 2934 O O . HOH H 5 . ? -9.904 16.710 28.479 1.00 34.77 ? 2171 HOH A O 1 HETATM 2935 O O . HOH H 5 . ? 6.822 41.362 -2.690 1.00 24.39 ? 2172 HOH A O 1 HETATM 2936 O O . HOH H 5 . ? 8.157 39.364 -8.049 1.00 22.20 ? 2173 HOH A O 1 HETATM 2937 O O . HOH H 5 . ? 10.725 40.885 -4.600 1.00 30.06 ? 2174 HOH A O 1 HETATM 2938 O O . HOH H 5 . ? 7.435 27.291 35.554 1.00 22.10 ? 2175 HOH A O 1 HETATM 2939 O O . HOH H 5 . ? 0.811 30.364 35.159 1.00 41.24 ? 2176 HOH A O 1 HETATM 2940 O O . HOH H 5 . ? 3.569 29.420 36.113 1.00 31.67 ? 2177 HOH A O 1 HETATM 2941 O O . HOH H 5 . ? -3.404 42.519 -5.729 1.00 15.80 ? 2178 HOH A O 1 HETATM 2942 O O . HOH H 5 . ? 13.421 28.856 32.886 1.00 28.43 ? 2179 HOH A O 1 HETATM 2943 O O . HOH H 5 . ? 6.087 33.321 35.511 1.00 18.53 ? 2180 HOH A O 1 HETATM 2944 O O . HOH H 5 . ? 10.187 31.110 36.061 1.00 26.36 ? 2181 HOH A O 1 HETATM 2945 O O . HOH H 5 . ? 1.592 41.536 -8.665 1.00 23.43 ? 2182 HOH A O 1 HETATM 2946 O O . HOH H 5 . ? 4.632 40.361 -6.047 1.00 16.43 ? 2183 HOH A O 1 HETATM 2947 O O . HOH H 5 . ? 1.643 17.370 12.117 1.00 34.28 ? 2184 HOH A O 1 HETATM 2948 O O . HOH H 5 . ? 2.176 45.756 -1.642 1.00 15.97 ? 2185 HOH A O 1 HETATM 2949 O O . HOH H 5 . ? 7.725 43.062 -0.655 1.00 28.00 ? 2186 HOH A O 1 HETATM 2950 O O . HOH H 5 . ? -5.220 43.099 -2.043 1.00 16.31 ? 2187 HOH A O 1 HETATM 2951 O O . HOH H 5 . ? -16.387 26.910 22.698 1.00 26.06 ? 2188 HOH A O 1 HETATM 2952 O O . HOH H 5 . ? -8.808 40.621 -1.726 1.00 26.89 ? 2189 HOH A O 1 HETATM 2953 O O . HOH H 5 . ? -10.913 27.248 29.555 1.00 26.90 ? 2190 HOH A O 1 HETATM 2954 O O . HOH H 5 . ? -8.056 25.076 31.634 1.00 39.34 ? 2191 HOH A O 1 HETATM 2955 O O . HOH H 5 . ? -1.158 42.634 11.148 1.00 13.47 ? 2192 HOH A O 1 HETATM 2956 O O . HOH H 5 . ? -6.073 46.624 3.840 1.00 28.33 ? 2193 HOH A O 1 HETATM 2957 O O . HOH H 5 . ? -5.188 42.897 9.019 1.00 31.10 ? 2194 HOH A O 1 HETATM 2958 O O . HOH H 5 . ? -3.204 49.964 4.332 1.00 21.21 ? 2195 HOH A O 1 HETATM 2959 O O . HOH H 5 . ? -13.245 30.274 23.323 1.00 38.02 ? 2196 HOH A O 1 HETATM 2960 O O . HOH H 5 . ? -9.970 34.995 28.258 1.00 25.72 ? 2197 HOH A O 1 HETATM 2961 O O . HOH H 5 . ? -13.336 33.720 26.622 1.00 36.19 ? 2198 HOH A O 1 HETATM 2962 O O . HOH H 5 . ? 1.685 44.455 6.970 1.00 12.19 ? 2199 HOH A O 1 HETATM 2963 O O . HOH H 5 . ? -0.788 38.902 30.787 1.00 51.78 ? 2200 HOH A O 1 HETATM 2964 O O . HOH H 5 . ? 1.752 33.816 35.548 1.00 48.75 ? 2201 HOH A O 1 HETATM 2965 O O . HOH H 5 . ? -18.120 28.749 -5.677 1.00 48.40 ? 2202 HOH A O 1 HETATM 2966 O O . HOH H 5 . ? 14.365 16.082 6.717 1.00 10.27 ? 2203 HOH A O 1 HETATM 2967 O O . HOH H 5 . ? 14.550 14.824 13.944 1.00 9.87 ? 2204 HOH A O 1 HETATM 2968 O O . HOH H 5 . ? 15.938 15.971 10.290 1.00 11.46 ? 2205 HOH A O 1 HETATM 2969 O O . HOH H 5 . ? -13.489 22.248 2.561 1.00 27.39 ? 2206 HOH A O 1 HETATM 2970 O O . HOH H 5 . ? -3.845 24.077 -3.996 1.00 36.11 ? 2207 HOH A O 1 HETATM 2971 O O . HOH H 5 . ? 13.385 11.417 5.161 1.00 30.13 ? 2208 HOH A O 1 HETATM 2972 O O . HOH H 5 . ? 8.005 13.848 4.167 1.00 23.48 ? 2209 HOH A O 1 HETATM 2973 O O . HOH H 5 . ? 10.390 11.056 2.593 1.00 24.25 ? 2210 HOH A O 1 HETATM 2974 O O . HOH H 5 . ? 10.757 13.606 7.741 1.00 19.04 ? 2211 HOH A O 1 HETATM 2975 O O . HOH H 5 . ? -9.449 12.801 12.293 1.00 36.09 ? 2212 HOH A O 1 HETATM 2976 O O . HOH H 5 . ? 6.597 19.263 7.641 1.00 10.30 ? 2213 HOH A O 1 HETATM 2977 O O . HOH H 5 . ? 6.362 14.979 8.359 1.00 26.93 ? 2214 HOH A O 1 HETATM 2978 O O . HOH H 5 . ? -14.795 20.717 9.440 1.00 31.98 ? 2215 HOH A O 1 HETATM 2979 O O . HOH H 5 . ? -14.978 24.360 3.372 1.00 27.78 ? 2216 HOH A O 1 HETATM 2980 O O . HOH H 5 . ? -18.399 36.576 5.328 1.00 39.12 ? 2217 HOH A O 1 HETATM 2981 O O . HOH H 5 . ? -19.477 35.227 10.405 1.00 26.90 ? 2218 HOH A O 1 HETATM 2982 O O . HOH H 5 . ? 1.807 21.114 -2.412 1.00 11.34 ? 2219 HOH A O 1 HETATM 2983 O O . HOH H 5 . ? 7.043 17.006 0.065 1.00 19.60 ? 2220 HOH A O 1 HETATM 2984 O O . HOH H 5 . ? -19.143 23.866 17.430 1.00 31.68 ? 2221 HOH A O 1 HETATM 2985 O O . HOH H 5 . ? 9.582 16.599 -0.760 1.00 36.40 ? 2222 HOH A O 1 HETATM 2986 O O . HOH H 5 . ? 13.800 15.158 1.250 1.00 11.37 ? 2223 HOH A O 1 HETATM 2987 O O . HOH H 5 . ? 18.117 12.974 6.523 1.00 17.74 ? 2224 HOH A O 1 HETATM 2988 O O . HOH H 5 . ? -12.734 40.845 13.428 1.00 65.59 ? 2225 HOH A O 1 HETATM 2989 O O . HOH H 5 . ? 16.282 25.464 2.985 1.00 8.62 ? 2226 HOH A O 1 HETATM 2990 O O . HOH H 5 . ? 23.769 11.519 1.414 1.00 23.45 ? 2227 HOH A O 1 HETATM 2991 O O . HOH H 5 . ? 15.320 11.551 -0.301 1.00 30.73 ? 2228 HOH A O 1 HETATM 2992 O O . HOH H 5 . ? 25.335 13.497 -2.852 1.00 30.87 ? 2229 HOH A O 1 HETATM 2993 O O . HOH H 5 . ? 21.151 10.415 1.229 1.00 33.02 ? 2230 HOH A O 1 HETATM 2994 O O . HOH H 5 . ? 17.394 10.457 1.594 1.00 36.45 ? 2231 HOH A O 1 HETATM 2995 O O . HOH H 5 . ? 29.801 18.019 2.050 1.00 22.61 ? 2232 HOH A O 1 HETATM 2996 O O . HOH H 5 . ? 24.608 16.433 7.028 1.00 11.65 ? 2233 HOH A O 1 HETATM 2997 O O . HOH H 5 . ? 25.062 10.443 3.673 1.00 32.26 ? 2234 HOH A O 1 HETATM 2998 O O . HOH H 5 . ? 22.140 9.772 6.174 1.00 37.53 ? 2235 HOH A O 1 HETATM 2999 O O . HOH H 5 . ? 17.680 16.725 12.408 1.00 12.47 ? 2236 HOH A O 1 HETATM 3000 O O . HOH H 5 . ? 20.350 11.102 11.721 1.00 28.39 ? 2237 HOH A O 1 HETATM 3001 O O . HOH H 5 . ? 19.933 11.267 7.819 1.00 19.11 ? 2238 HOH A O 1 HETATM 3002 O O . HOH H 5 . ? 21.892 10.926 13.855 1.00 28.82 ? 2239 HOH A O 1 HETATM 3003 O O . HOH H 5 . ? 25.656 13.437 15.005 1.00 29.93 ? 2240 HOH A O 1 HETATM 3004 O O . HOH H 5 . ? 28.357 15.948 8.006 1.00 20.35 ? 2241 HOH A O 1 HETATM 3005 O O . HOH H 5 . ? 27.148 25.229 12.592 1.00 38.16 ? 2242 HOH A O 1 HETATM 3006 O O . HOH H 5 . ? 26.261 18.623 13.988 1.00 25.67 ? 2243 HOH A O 1 HETATM 3007 O O . HOH H 5 . ? 29.415 17.729 10.608 1.00 24.73 ? 2244 HOH A O 1 HETATM 3008 O O . HOH H 5 . ? 32.180 20.217 11.391 1.00 28.68 ? 2245 HOH A O 1 HETATM 3009 O O . HOH H 5 . ? 31.677 19.442 7.210 1.00 21.91 ? 2246 HOH A O 1 HETATM 3010 O O . HOH H 5 . ? 34.561 21.656 7.146 1.00 29.85 ? 2247 HOH A O 1 HETATM 3011 O O . HOH H 5 . ? 31.145 23.415 9.715 1.00 16.00 ? 2248 HOH A O 1 HETATM 3012 O O . HOH H 5 . ? 31.782 24.176 1.920 1.00 31.93 ? 2249 HOH A O 1 HETATM 3013 O O . HOH H 5 . ? 31.020 19.781 4.036 1.00 17.65 ? 2250 HOH A O 1 HETATM 3014 O O . HOH H 5 . ? 27.793 24.516 -0.301 1.00 17.27 ? 2251 HOH A O 1 HETATM 3015 O O . HOH H 5 . ? 25.477 27.903 9.876 1.00 14.58 ? 2252 HOH A O 1 HETATM 3016 O O . HOH H 5 . ? 27.047 31.192 2.605 1.00 16.65 ? 2253 HOH A O 1 HETATM 3017 O O . HOH H 5 . ? 31.803 28.542 3.484 1.00 20.69 ? 2254 HOH A O 1 HETATM 3018 O O . HOH H 5 . ? 22.854 28.695 -5.015 1.00 19.07 ? 2255 HOH A O 1 HETATM 3019 O O . HOH H 5 . ? 26.916 26.929 -1.136 1.00 14.24 ? 2256 HOH A O 1 HETATM 3020 O O . HOH H 5 . ? 25.905 26.409 -4.831 1.00 29.90 ? 2257 HOH A O 1 HETATM 3021 O O . HOH H 5 . ? -21.049 19.896 17.258 1.00 30.16 ? 2258 HOH A O 1 HETATM 3022 O O . HOH H 5 . ? 25.181 28.346 -4.390 1.00 33.76 ? 2259 HOH A O 1 HETATM 3023 O O . HOH H 5 . ? 22.459 34.338 -1.640 1.00 16.05 ? 2260 HOH A O 1 HETATM 3024 O O . HOH H 5 . ? 28.111 29.642 -4.092 1.00 45.92 ? 2261 HOH A O 1 HETATM 3025 O O . HOH H 5 . ? 24.330 35.902 0.313 1.00 39.38 ? 2262 HOH A O 1 HETATM 3026 O O . HOH H 5 . ? 22.270 41.122 2.020 1.00 24.84 ? 2263 HOH A O 1 HETATM 3027 O O . HOH H 5 . ? 16.675 37.045 -3.747 1.00 15.19 ? 2264 HOH A O 1 HETATM 3028 O O . HOH H 5 . ? 18.126 43.658 -1.667 1.00 22.59 ? 2265 HOH A O 1 HETATM 3029 O O . HOH H 5 . ? 18.632 43.732 1.556 1.00 15.69 ? 2266 HOH A O 1 HETATM 3030 O O . HOH H 5 . ? 17.299 39.744 -3.497 1.00 24.97 ? 2267 HOH A O 1 HETATM 3031 O O . HOH H 5 . ? -22.959 33.289 -1.663 1.00 35.46 ? 2268 HOH A O 1 HETATM 3032 O O . HOH H 5 . ? 10.301 43.530 -1.391 1.00 22.91 ? 2269 HOH A O 1 HETATM 3033 O O . HOH H 5 . ? 12.847 42.096 -3.800 1.00 38.29 ? 2270 HOH A O 1 HETATM 3034 O O . HOH H 5 . ? 15.752 38.141 -7.928 1.00 19.24 ? 2271 HOH A O 1 HETATM 3035 O O . HOH H 5 . ? 15.820 45.199 0.513 1.00 22.62 ? 2272 HOH A O 1 HETATM 3036 O O . HOH H 5 . ? 16.726 47.923 -0.110 1.00 26.05 ? 2273 HOH A O 1 HETATM 3037 O O . HOH H 5 . ? 18.218 45.920 3.092 1.00 11.16 ? 2274 HOH A O 1 HETATM 3038 O O . HOH H 5 . ? 3.040 45.904 5.232 1.00 23.15 ? 2275 HOH A O 1 HETATM 3039 O O . HOH H 5 . ? 7.724 44.312 10.094 1.00 9.53 ? 2276 HOH A O 1 HETATM 3040 O O . HOH H 5 . ? 9.983 42.309 12.851 1.00 9.04 ? 2277 HOH A O 1 HETATM 3041 O O . HOH H 5 . ? 5.655 17.913 12.256 1.00 28.39 ? 2278 HOH A O 1 HETATM 3042 O O . HOH H 5 . ? 5.003 20.917 16.005 1.00 30.13 ? 2279 HOH A O 1 HETATM 3043 O O . HOH H 5 . ? 9.457 14.563 20.564 1.00 33.10 ? 2280 HOH A O 1 HETATM 3044 O O . HOH H 5 . ? 18.509 8.592 20.540 1.00 20.82 ? 2281 HOH A O 1 HETATM 3045 O O . HOH H 5 . ? 14.425 9.243 20.702 1.00 28.68 ? 2282 HOH A O 1 HETATM 3046 O O . HOH H 5 . ? 16.017 7.558 18.936 1.00 43.16 ? 2283 HOH A O 1 HETATM 3047 O O . HOH H 5 . ? 22.951 11.950 17.782 1.00 39.01 ? 2284 HOH A O 1 HETATM 3048 O O . HOH H 5 . ? 20.361 10.293 16.175 1.00 29.15 ? 2285 HOH A O 1 HETATM 3049 O O . HOH H 5 . ? 17.343 14.714 14.309 1.00 11.30 ? 2286 HOH A O 1 HETATM 3050 O O . HOH H 5 . ? 19.159 14.870 22.745 1.00 14.14 ? 2287 HOH A O 1 HETATM 3051 O O . HOH H 5 . ? 26.056 15.659 20.158 1.00 19.56 ? 2288 HOH A O 1 HETATM 3052 O O . HOH H 5 . ? 20.801 20.650 28.086 1.00 22.15 ? 2289 HOH A O 1 HETATM 3053 O O . HOH H 5 . ? 23.639 18.615 26.938 1.00 56.18 ? 2290 HOH A O 1 HETATM 3054 O O . HOH H 5 . ? 23.900 22.586 26.325 1.00 22.71 ? 2291 HOH A O 1 HETATM 3055 O O . HOH H 5 . ? 30.089 25.302 23.195 1.00 23.96 ? 2292 HOH A O 1 HETATM 3056 O O . HOH H 5 . ? 28.543 22.257 20.426 1.00 28.30 ? 2293 HOH A O 1 HETATM 3057 O O . HOH H 5 . ? 24.681 25.099 25.583 1.00 21.74 ? 2294 HOH A O 1 HETATM 3058 O O . HOH H 5 . ? 26.514 23.522 16.377 1.00 14.98 ? 2295 HOH A O 1 HETATM 3059 O O . HOH H 5 . ? 28.964 30.884 21.295 1.00 35.76 ? 2296 HOH A O 1 HETATM 3060 O O . HOH H 5 . ? 27.030 25.882 14.952 1.00 31.40 ? 2297 HOH A O 1 HETATM 3061 O O . HOH H 5 . ? 24.573 32.080 22.670 1.00 19.05 ? 2298 HOH A O 1 HETATM 3062 O O . HOH H 5 . ? 28.914 27.905 15.506 1.00 18.59 ? 2299 HOH A O 1 HETATM 3063 O O . HOH H 5 . ? 29.285 28.433 12.785 1.00 26.29 ? 2300 HOH A O 1 HETATM 3064 O O . HOH H 5 . ? 28.245 32.553 17.174 1.00 24.77 ? 2301 HOH A O 1 HETATM 3065 O O . HOH H 5 . ? 28.318 29.573 17.869 1.00 26.23 ? 2302 HOH A O 1 HETATM 3066 O O . HOH H 5 . ? 29.468 30.937 12.058 1.00 27.19 ? 2303 HOH A O 1 HETATM 3067 O O . HOH H 5 . ? 27.234 34.116 12.030 1.00 14.06 ? 2304 HOH A O 1 HETATM 3068 O O . HOH H 5 . ? 29.043 34.932 19.884 1.00 37.42 ? 2305 HOH A O 1 HETATM 3069 O O . HOH H 5 . ? 28.725 37.201 14.430 1.00 31.73 ? 2306 HOH A O 1 HETATM 3070 O O . HOH H 5 . ? 24.790 40.248 14.022 1.00 17.92 ? 2307 HOH A O 1 HETATM 3071 O O . HOH H 5 . ? 25.968 37.543 3.240 1.00 20.44 ? 2308 HOH A O 1 HETATM 3072 O O . HOH H 5 . ? 27.194 36.832 10.993 1.00 20.08 ? 2309 HOH A O 1 HETATM 3073 O O . HOH H 5 . ? 25.658 33.565 2.500 1.00 16.49 ? 2310 HOH A O 1 HETATM 3074 O O . HOH H 5 . ? 14.462 43.458 16.076 1.00 30.17 ? 2311 HOH A O 1 HETATM 3075 O O . HOH H 5 . ? 21.665 43.975 13.298 1.00 25.82 ? 2312 HOH A O 1 HETATM 3076 O O . HOH H 5 . ? 26.798 39.596 6.855 1.00 24.77 ? 2313 HOH A O 1 HETATM 3077 O O . HOH H 5 . ? 25.524 44.098 8.878 1.00 27.44 ? 2314 HOH A O 1 HETATM 3078 O O . HOH H 5 . ? 19.070 45.197 5.556 1.00 13.51 ? 2315 HOH A O 1 HETATM 3079 O O . HOH H 5 . ? 19.916 41.892 3.253 1.00 14.78 ? 2316 HOH A O 1 HETATM 3080 O O . HOH H 5 . ? 16.284 40.460 11.069 1.00 10.70 ? 2317 HOH A O 1 HETATM 3081 O O . HOH H 5 . ? 20.961 49.080 11.546 1.00 28.49 ? 2318 HOH A O 1 HETATM 3082 O O . HOH H 5 . ? 16.054 45.443 15.905 1.00 44.23 ? 2319 HOH A O 1 HETATM 3083 O O . HOH H 5 . ? 17.375 49.307 12.284 1.00 27.88 ? 2320 HOH A O 1 HETATM 3084 O O . HOH H 5 . ? 15.915 50.851 8.881 1.00 14.80 ? 2321 HOH A O 1 HETATM 3085 O O . HOH H 5 . ? 14.554 49.409 12.020 1.00 16.42 ? 2322 HOH A O 1 HETATM 3086 O O . HOH H 5 . ? 12.816 47.932 13.626 1.00 16.69 ? 2323 HOH A O 1 HETATM 3087 O O . HOH H 5 . ? 13.698 24.091 22.856 1.00 11.93 ? 2324 HOH A O 1 HETATM 3088 O O . HOH H 5 . ? 13.780 27.582 22.305 1.00 15.73 ? 2325 HOH A O 1 HETATM 3089 O O . HOH H 5 . ? 12.268 29.344 20.641 1.00 13.21 ? 2326 HOH A O 1 HETATM 3090 O O . HOH H 5 . ? 5.492 18.801 16.875 1.00 19.94 ? 2327 HOH A O 1 HETATM 3091 O O . HOH H 5 . ? 11.854 21.338 17.673 1.00 8.30 ? 2328 HOH A O 1 HETATM 3092 O O . HOH H 5 . ? 17.330 23.214 33.154 1.00 23.35 ? 2329 HOH A O 1 HETATM 3093 O O . HOH H 5 . ? 13.713 23.002 36.592 1.00 22.62 ? 2330 HOH A O 1 HETATM 3094 O O . HOH H 5 . ? 15.806 17.812 34.094 1.00 17.65 ? 2331 HOH A O 1 HETATM 3095 O O . HOH H 5 . ? 9.721 19.815 37.434 1.00 26.94 ? 2332 HOH A O 1 HETATM 3096 O O . HOH H 5 . ? 13.109 18.016 35.962 1.00 27.50 ? 2333 HOH A O 1 HETATM 3097 O O . HOH H 5 . ? 14.853 23.771 31.991 1.00 12.92 ? 2334 HOH A O 1 HETATM 3098 O O . HOH H 5 . ? 4.959 20.807 35.927 1.00 50.08 ? 2335 HOH A O 1 HETATM 3099 O O . HOH H 5 . ? 5.891 13.335 36.891 1.00 29.00 ? 2336 HOH A O 1 HETATM 3100 O O . HOH H 5 . ? 9.383 10.076 30.719 1.00 13.97 ? 2337 HOH A O 1 HETATM 3101 O O . HOH H 5 . ? 10.007 18.014 33.313 1.00 20.75 ? 2338 HOH A O 1 HETATM 3102 O O . HOH H 5 . ? 6.150 10.619 27.898 1.00 22.06 ? 2339 HOH A O 1 HETATM 3103 O O . HOH H 5 . ? 2.260 19.933 30.938 1.00 20.90 ? 2340 HOH A O 1 HETATM 3104 O O . HOH H 5 . ? 12.866 17.502 32.031 1.00 21.09 ? 2341 HOH A O 1 HETATM 3105 O O . HOH H 5 . ? 13.011 15.760 24.092 1.00 18.98 ? 2342 HOH A O 1 HETATM 3106 O O . HOH H 5 . ? 11.907 10.781 18.368 1.00 27.53 ? 2343 HOH A O 1 HETATM 3107 O O . HOH H 5 . ? 13.403 13.329 16.039 1.00 10.47 ? 2344 HOH A O 1 HETATM 3108 O O . HOH H 5 . ? 21.402 20.031 19.633 1.00 9.08 ? 2345 HOH A O 1 HETATM 3109 O O . HOH H 5 . ? 15.258 17.890 23.737 1.00 12.39 ? 2346 HOH A O 1 HETATM 3110 O O . HOH H 5 . ? 12.215 21.655 20.473 1.00 8.33 ? 2347 HOH A O 1 HETATM 3111 O O . HOH H 5 . ? 18.805 21.245 31.059 1.00 20.00 ? 2348 HOH A O 1 HETATM 3112 O O . HOH H 5 . ? 18.542 24.850 31.064 1.00 21.07 ? 2349 HOH A O 1 HETATM 3113 O O . HOH H 5 . ? 15.102 24.104 29.262 1.00 12.91 ? 2350 HOH A O 1 HETATM 3114 O O . HOH H 5 . ? 22.209 29.759 26.186 1.00 20.63 ? 2351 HOH A O 1 HETATM 3115 O O . HOH H 5 . ? 19.103 23.583 22.397 1.00 11.17 ? 2352 HOH A O 1 HETATM 3116 O O . HOH H 5 . ? 18.655 35.444 30.369 1.00 22.97 ? 2353 HOH A O 1 HETATM 3117 O O . HOH H 5 . ? 21.848 30.643 28.879 1.00 39.49 ? 2354 HOH A O 1 HETATM 3118 O O . HOH H 5 . ? 17.611 29.271 32.934 1.00 40.39 ? 2355 HOH A O 1 HETATM 3119 O O . HOH H 5 . ? 26.165 40.485 26.322 1.00 31.46 ? 2356 HOH A O 1 HETATM 3120 O O . HOH H 5 . ? 17.391 39.165 23.238 1.00 15.61 ? 2357 HOH A O 1 HETATM 3121 O O . HOH H 5 . ? 24.025 34.876 22.398 1.00 20.69 ? 2358 HOH A O 1 HETATM 3122 O O . HOH H 5 . ? 24.002 36.106 19.847 1.00 13.66 ? 2359 HOH A O 1 HETATM 3123 O O . HOH H 5 . ? 13.547 40.578 22.729 1.00 24.19 ? 2360 HOH A O 1 HETATM 3124 O O . HOH H 5 . ? 14.996 43.171 18.569 1.00 29.81 ? 2361 HOH A O 1 HETATM 3125 O O . HOH H 5 . ? 15.981 41.005 21.892 1.00 21.88 ? 2362 HOH A O 1 HETATM 3126 O O . HOH H 5 . ? 18.184 40.500 19.275 1.00 21.31 ? 2363 HOH A O 1 HETATM 3127 O O . HOH H 5 . ? 13.550 31.374 19.743 1.00 22.24 ? 2364 HOH A O 1 HETATM 3128 O O . HOH H 5 . ? 1.643 19.765 11.885 1.00 25.91 ? 2365 HOH A O 1 HETATM 3129 O O . HOH H 5 . ? -2.032 9.738 21.789 1.00 48.61 ? 2366 HOH A O 1 HETATM 3130 O O . HOH H 5 . ? 4.278 10.582 26.234 1.00 48.97 ? 2367 HOH A O 1 HETATM 3131 O O . HOH H 5 . ? 6.246 12.064 23.593 1.00 20.88 ? 2368 HOH A O 1 HETATM 3132 O O . HOH H 5 . ? -4.468 12.422 23.136 1.00 40.10 ? 2369 HOH A O 1 HETATM 3133 O O . HOH H 5 . ? -0.617 13.405 29.766 1.00 21.40 ? 2370 HOH A O 1 HETATM 3134 O O . HOH H 5 . ? -6.798 13.410 26.275 1.00 30.24 ? 2371 HOH A O 1 HETATM 3135 O O . HOH H 5 . ? -7.306 15.490 28.425 1.00 23.01 ? 2372 HOH A O 1 HETATM 3136 O O . HOH H 5 . ? -7.939 21.684 28.807 1.00 23.76 ? 2373 HOH A O 1 HETATM 3137 O O . HOH H 5 . ? -1.757 20.847 32.440 1.00 19.75 ? 2374 HOH A O 1 HETATM 3138 O O . HOH H 5 . ? 4.731 27.234 35.049 1.00 28.15 ? 2375 HOH A O 1 HETATM 3139 O O . HOH H 5 . ? 2.053 24.808 35.268 1.00 48.01 ? 2376 HOH A O 1 HETATM 3140 O O . HOH H 5 . ? 3.341 30.565 33.629 1.00 15.38 ? 2377 HOH A O 1 HETATM 3141 O O . HOH H 5 . ? 9.133 27.170 33.364 1.00 13.18 ? 2378 HOH A O 1 HETATM 3142 O O . HOH H 5 . ? 8.848 33.483 34.955 1.00 16.97 ? 2379 HOH A O 1 HETATM 3143 O O . HOH H 5 . ? 11.032 28.942 33.888 1.00 24.83 ? 2380 HOH A O 1 HETATM 3144 O O . HOH H 5 . ? 14.127 30.767 30.907 1.00 22.00 ? 2381 HOH A O 1 HETATM 3145 O O . HOH H 5 . ? 11.091 37.795 34.652 1.00 14.67 ? 2382 HOH A O 1 HETATM 3146 O O . HOH H 5 . ? 17.046 35.304 32.954 1.00 30.33 ? 2383 HOH A O 1 HETATM 3147 O O . HOH H 5 . ? 17.432 36.828 28.256 1.00 16.18 ? 2384 HOH A O 1 HETATM 3148 O O . HOH H 5 . ? 3.488 19.647 13.061 1.00 16.84 ? 2385 HOH A O 1 HETATM 3149 O O . HOH H 5 . ? 4.987 21.923 11.077 1.00 19.44 ? 2386 HOH A O 1 HETATM 3150 O O . HOH H 5 . ? -2.388 16.602 18.722 1.00 17.63 ? 2387 HOH A O 1 HETATM 3151 O O . HOH H 5 . ? -6.815 10.585 17.752 1.00 55.74 ? 2388 HOH A O 1 HETATM 3152 O O . HOH H 5 . ? -2.604 12.449 11.099 1.00 44.06 ? 2389 HOH A O 1 HETATM 3153 O O . HOH H 5 . ? -7.246 11.507 12.187 1.00 46.82 ? 2390 HOH A O 1 HETATM 3154 O O . HOH H 5 . ? -12.493 10.196 14.487 1.00 50.08 ? 2391 HOH A O 1 HETATM 3155 O O . HOH H 5 . ? -11.792 14.334 22.748 1.00 26.24 ? 2392 HOH A O 1 HETATM 3156 O O . HOH H 5 . ? -14.018 11.697 19.965 1.00 48.43 ? 2393 HOH A O 1 HETATM 3157 O O . HOH H 5 . ? -13.765 14.706 16.301 1.00 28.41 ? 2394 HOH A O 1 HETATM 3158 O O . HOH H 5 . ? -15.045 24.616 23.199 1.00 18.65 ? 2395 HOH A O 1 HETATM 3159 O O . HOH H 5 . ? -13.713 22.514 26.556 1.00 28.22 ? 2396 HOH A O 1 HETATM 3160 O O . HOH H 5 . ? -9.831 18.766 26.731 1.00 20.95 ? 2397 HOH A O 1 HETATM 3161 O O . HOH H 5 . ? -12.477 15.955 25.278 1.00 48.71 ? 2398 HOH A O 1 HETATM 3162 O O . HOH H 5 . ? -7.704 20.503 26.406 1.00 18.50 ? 2399 HOH A O 1 HETATM 3163 O O . HOH H 5 . ? -6.768 21.101 14.782 1.00 13.23 ? 2400 HOH A O 1 HETATM 3164 O O . HOH H 5 . ? -5.791 23.825 15.321 1.00 11.90 ? 2401 HOH A O 1 HETATM 3165 O O . HOH H 5 . ? -12.332 27.503 26.979 1.00 49.28 ? 2402 HOH A O 1 HETATM 3166 O O . HOH H 5 . ? -8.281 27.300 29.949 1.00 18.56 ? 2403 HOH A O 1 HETATM 3167 O O . HOH H 5 . ? -11.915 29.556 21.267 1.00 27.18 ? 2404 HOH A O 1 HETATM 3168 O O . HOH H 5 . ? -10.577 33.155 26.301 1.00 18.80 ? 2405 HOH A O 1 HETATM 3169 O O . HOH H 5 . ? -5.163 27.443 32.451 1.00 34.76 ? 2406 HOH A O 1 HETATM 3170 O O . HOH H 5 . ? -4.668 30.917 33.205 1.00 37.70 ? 2407 HOH A O 1 HETATM 3171 O O . HOH H 5 . ? -0.940 36.771 27.848 1.00 27.26 ? 2408 HOH A O 1 HETATM 3172 O O . HOH H 5 . ? -1.963 30.557 33.377 1.00 23.04 ? 2409 HOH A O 1 HETATM 3173 O O . HOH H 5 . ? 6.019 44.061 30.766 1.00 32.35 ? 2410 HOH A O 1 HETATM 3174 O O . HOH H 5 . ? 4.152 33.206 33.538 1.00 16.91 ? 2411 HOH A O 1 HETATM 3175 O O . HOH H 5 . ? 0.104 35.135 34.351 1.00 27.95 ? 2412 HOH A O 1 HETATM 3176 O O . HOH H 5 . ? -0.207 39.256 26.271 1.00 29.60 ? 2413 HOH A O 1 HETATM 3177 O O . HOH H 5 . ? 1.743 40.579 21.655 1.00 19.43 ? 2414 HOH A O 1 HETATM 3178 O O . HOH H 5 . ? -0.097 25.445 7.763 1.00 7.42 ? 2415 HOH A O 1 HETATM 3179 O O . HOH H 5 . ? -13.693 28.894 1.849 1.00 14.99 ? 2416 HOH A O 1 HETATM 3180 O O . HOH H 5 . ? -13.147 31.397 -1.518 1.00 21.94 ? 2417 HOH A O 1 HETATM 3181 O O . HOH H 5 . ? -16.447 31.131 -7.732 1.00 34.59 ? 2418 HOH A O 1 HETATM 3182 O O . HOH H 5 . ? -13.411 24.640 -11.830 1.00 20.72 ? 2419 HOH A O 1 HETATM 3183 O O . HOH H 5 . ? -14.035 21.484 0.057 1.00 23.05 ? 2420 HOH A O 1 HETATM 3184 O O . HOH H 5 . ? -13.054 17.389 -1.035 1.00 11.56 ? 2421 HOH A O 1 HETATM 3185 O O . HOH H 5 . ? -6.561 20.266 -3.272 1.00 15.55 ? 2422 HOH A O 1 HETATM 3186 O O . HOH H 5 . ? -6.068 23.268 -4.830 1.00 32.19 ? 2423 HOH A O 1 HETATM 3187 O O . HOH H 5 . ? -3.253 24.663 -1.471 1.00 13.04 ? 2424 HOH A O 1 HETATM 3188 O O . HOH H 5 . ? -4.078 20.879 -3.544 1.00 39.91 ? 2425 HOH A O 1 HETATM 3189 O O . HOH H 5 . ? -9.144 17.292 4.357 1.00 32.39 ? 2426 HOH A O 1 HETATM 3190 O O . HOH H 5 . ? -6.978 19.174 0.853 1.00 13.17 ? 2427 HOH A O 1 HETATM 3191 O O . HOH H 5 . ? -0.022 19.237 6.794 1.00 19.19 ? 2428 HOH A O 1 HETATM 3192 O O . HOH H 5 . ? -0.417 16.644 9.885 1.00 41.92 ? 2429 HOH A O 1 HETATM 3193 O O . HOH H 5 . ? -9.085 18.173 6.893 1.00 28.68 ? 2430 HOH A O 1 HETATM 3194 O O . HOH H 5 . ? -10.998 18.154 12.734 1.00 45.43 ? 2431 HOH A O 1 HETATM 3195 O O . HOH H 5 . ? -6.752 14.789 6.052 1.00 26.06 ? 2432 HOH A O 1 HETATM 3196 O O . HOH H 5 . ? -9.487 15.401 12.404 1.00 33.66 ? 2433 HOH A O 1 HETATM 3197 O O . HOH H 5 . ? -8.560 18.765 14.097 1.00 17.16 ? 2434 HOH A O 1 HETATM 3198 O O . HOH H 5 . ? -10.202 20.783 12.775 1.00 35.79 ? 2435 HOH A O 1 HETATM 3199 O O . HOH H 5 . ? -10.032 18.969 9.664 1.00 30.71 ? 2436 HOH A O 1 HETATM 3200 O O . HOH H 5 . ? -5.383 23.233 5.570 1.00 10.16 ? 2437 HOH A O 1 HETATM 3201 O O . HOH H 5 . ? -10.296 28.879 9.422 1.00 12.27 ? 2438 HOH A O 1 HETATM 3202 O O . HOH H 5 . ? -12.908 22.960 10.200 1.00 17.02 ? 2439 HOH A O 1 HETATM 3203 O O . HOH H 5 . ? -16.241 36.350 2.728 1.00 31.34 ? 2440 HOH A O 1 HETATM 3204 O O . HOH H 5 . ? -13.533 26.723 3.788 1.00 15.37 ? 2441 HOH A O 1 HETATM 3205 O O . HOH H 5 . ? -20.360 27.096 7.691 1.00 23.91 ? 2442 HOH A O 1 HETATM 3206 O O . HOH H 5 . ? -19.967 30.700 9.497 1.00 23.59 ? 2443 HOH A O 1 HETATM 3207 O O . HOH H 5 . ? -17.366 35.137 7.720 1.00 43.86 ? 2444 HOH A O 1 HETATM 3208 O O . HOH H 5 . ? -21.176 25.210 9.527 1.00 20.31 ? 2445 HOH A O 1 HETATM 3209 O O . HOH H 5 . ? -22.414 27.011 10.931 1.00 33.71 ? 2446 HOH A O 1 HETATM 3210 O O . HOH H 5 . ? -17.653 22.666 15.242 1.00 25.52 ? 2447 HOH A O 1 HETATM 3211 O O . HOH H 5 . ? -18.984 26.598 16.712 1.00 21.85 ? 2448 HOH A O 1 HETATM 3212 O O . HOH H 5 . ? -14.498 18.816 13.911 1.00 35.34 ? 2449 HOH A O 1 HETATM 3213 O O . HOH H 5 . ? -16.196 22.588 11.457 1.00 14.54 ? 2450 HOH A O 1 HETATM 3214 O O . HOH H 5 . ? -20.458 34.706 12.968 1.00 23.86 ? 2451 HOH A O 1 HETATM 3215 O O . HOH H 5 . ? -15.278 29.054 21.349 1.00 21.78 ? 2452 HOH A O 1 HETATM 3216 O O . HOH H 5 . ? -7.793 32.097 16.086 1.00 10.94 ? 2453 HOH A O 1 HETATM 3217 O O . HOH H 5 . ? -18.255 32.515 22.709 1.00 55.98 ? 2454 HOH A O 1 HETATM 3218 O O . HOH H 5 . ? -15.535 34.893 22.621 1.00 28.50 ? 2455 HOH A O 1 HETATM 3219 O O . HOH H 5 . ? -20.365 32.369 19.228 1.00 30.10 ? 2456 HOH A O 1 HETATM 3220 O O . HOH H 5 . ? -13.009 32.882 23.234 1.00 55.42 ? 2457 HOH A O 1 HETATM 3221 O O . HOH H 5 . ? -18.995 28.242 18.949 1.00 31.27 ? 2458 HOH A O 1 HETATM 3222 O O . HOH H 5 . ? -10.347 32.638 23.563 1.00 17.37 ? 2459 HOH A O 1 HETATM 3223 O O . HOH H 5 . ? -14.399 38.884 14.934 1.00 50.19 ? 2460 HOH A O 1 HETATM 3224 O O . HOH H 5 . ? -18.134 35.407 19.052 1.00 33.74 ? 2461 HOH A O 1 HETATM 3225 O O . HOH H 5 . ? -12.167 43.767 23.192 1.00 42.77 ? 2462 HOH A O 1 HETATM 3226 O O . HOH H 5 . ? -9.327 41.192 18.607 1.00 35.81 ? 2463 HOH A O 1 HETATM 3227 O O . HOH H 5 . ? -18.518 20.090 15.810 1.00 41.72 ? 2464 HOH A O 1 HETATM 3228 O O . HOH H 5 . ? 5.425 19.383 10.008 1.00 24.54 ? 2465 HOH A O 1 HETATM 3229 O O . HOH H 5 . ? 27.254 11.170 9.196 1.00 25.97 ? 2466 HOH A O 1 HETATM 3230 O O . HOH H 5 . ? 23.601 7.083 16.627 1.00 34.89 ? 2467 HOH A O 1 HETATM 3231 O O . HOH H 5 . ? 21.814 53.881 4.871 1.00 36.47 ? 2468 HOH A O 1 HETATM 3232 O O . HOH H 5 . ? 14.693 55.114 3.104 1.00 11.99 ? 2469 HOH A O 1 HETATM 3233 O O . HOH H 5 . ? 20.527 51.968 8.685 1.00 26.24 ? 2470 HOH A O 1 HETATM 3234 O O . HOH H 5 . ? 17.478 53.902 6.762 1.00 27.77 ? 2471 HOH A O 1 HETATM 3235 O O . HOH H 5 . ? 19.429 53.189 2.673 1.00 17.58 ? 2472 HOH A O 1 HETATM 3236 O O . HOH H 5 . ? 18.574 49.265 1.384 1.00 17.50 ? 2473 HOH A O 1 HETATM 3237 O O . HOH H 5 . ? -21.512 36.307 8.580 1.00 25.41 ? 2474 HOH A O 1 HETATM 3238 O O . HOH H 5 . ? -23.677 34.953 0.514 1.00 39.02 ? 2475 HOH A O 1 HETATM 3239 O O . HOH H 5 . ? -21.642 31.695 0.039 1.00 28.14 ? 2476 HOH A O 1 HETATM 3240 O O . HOH H 5 . ? -21.359 38.409 2.374 1.00 49.52 ? 2477 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 SER 2 2 2 SER SER A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 VAL 5 5 5 VAL VAL A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 GLY 9 9 9 GLY GLY A . n A 1 10 THR 10 10 10 THR THR A . n A 1 11 GLN 11 11 11 GLN GLN A . n A 1 12 PHE 12 12 12 PHE PHE A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 ILE 14 14 14 ILE ILE A . n A 1 15 ASP 15 15 15 ASP ASP A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 LYS 17 17 17 LYS LYS A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 TYR 20 20 20 TYR TYR A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 ALA 22 22 22 ALA ALA A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 ASN 25 25 25 ASN ASN A . n A 1 26 CYS 26 26 26 CYS CYS A . n A 1 27 TYR 27 27 27 TYR TYR A . n A 1 28 TRP 28 28 28 TRP TRP A . n A 1 29 CYS 29 29 29 CYS CYS A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 PHE 31 31 31 PHE PHE A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 THR 33 33 33 THR THR A . n A 1 34 ASN 34 34 34 ASN ASN A . n A 1 35 HIS 35 35 35 HIS HIS A . n A 1 36 ALA 36 36 36 ALA ALA A . n A 1 37 ASP 37 37 37 ASP ASP A . n A 1 38 VAL 38 38 38 VAL VAL A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 THR 41 41 41 THR THR A . n A 1 42 PHE 42 42 42 PHE PHE A . n A 1 43 SER 43 43 43 SER SER A . n A 1 44 HIS 44 44 44 HIS HIS A . n A 1 45 ILE 45 45 45 ILE ILE A . n A 1 46 SER 46 46 46 SER SER A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 LEU 50 50 50 LEU LEU A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 VAL 52 52 52 VAL VAL A . n A 1 53 VAL 53 53 53 VAL VAL A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 VAL 55 55 55 VAL VAL A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 PHE 58 58 58 PHE PHE A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 ASP 60 60 60 ASP ASP A . n A 1 61 VAL 61 61 61 VAL VAL A . n A 1 62 ASN 62 62 62 ASN ASN A . n A 1 63 THR 63 63 63 THR THR A . n A 1 64 GLN 64 64 64 GLN GLN A . n A 1 65 PRO 65 65 65 PRO PRO A . n A 1 66 SER 66 66 66 SER SER A . n A 1 67 PRO 67 67 67 PRO PRO A . n A 1 68 GLY 68 68 68 GLY GLY A . n A 1 69 GLN 69 69 69 GLN GLN A . n A 1 70 ILE 70 70 70 ILE ILE A . n A 1 71 TRP 71 71 71 TRP TRP A . n A 1 72 PHE 72 72 72 PHE PHE A . n A 1 73 GLN 73 73 73 GLN GLN A . n A 1 74 LYS 74 74 74 LYS LYS A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 ALA 77 77 77 ALA ALA A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 THR 84 84 84 THR THR A . n A 1 85 GLY 85 85 85 GLY GLY A . n A 1 86 ALA 86 86 86 ALA ALA 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 LEU 89 89 89 LEU LEU A . n A 1 90 GLN 90 90 90 GLN GLN A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 GLN 97 97 97 GLN GLN A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 GLU 100 100 100 GLU GLU A . n A 1 101 GLN 101 101 101 GLN GLN A . n A 1 102 HIS 102 102 102 HIS HIS A . n A 1 103 ASN 103 103 103 ASN ASN A . n A 1 104 LEU 104 104 104 LEU LEU A . n A 1 105 LYS 105 105 105 LYS LYS A . n A 1 106 LEU 106 106 106 LEU LEU A . n A 1 107 ILE 107 107 107 ILE ILE A . n A 1 108 ILE 108 108 108 ILE ILE A . n A 1 109 PRO 109 109 109 PRO PRO A . n A 1 110 PHE 110 110 110 PHE PHE A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 ASN 112 112 112 ASN ASN A . n A 1 113 ASN 113 113 113 ASN ASN A . n A 1 114 TRP 114 114 114 TRP TRP A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 ASP 116 116 116 ASP ASP A . n A 1 117 TYR 117 117 117 TYR TYR A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 ILE 120 120 120 ILE ILE A . n A 1 121 ASN 121 121 121 ASN ASN A . n A 1 122 ALA 122 122 122 ALA ALA A . n A 1 123 TYR 123 123 123 TYR TYR A . n A 1 124 VAL 124 124 124 VAL VAL A . n A 1 125 ASN 125 125 125 ASN ASN A . n A 1 126 ALA 126 126 126 ALA ALA A . n A 1 127 PHE 127 127 127 PHE PHE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 GLY 129 129 129 GLY GLY A . n A 1 130 ASN 130 130 130 ASN ASN A . n A 1 131 ALA 131 131 131 ALA ALA A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 TRP 134 134 134 TRP TRP A . n A 1 135 TYR 135 135 135 TYR TYR A . n A 1 136 THR 136 136 136 THR THR A . n A 1 137 ASN 137 137 137 ASN ASN A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 ALA 140 140 140 ALA ALA A . n A 1 141 GLN 141 141 141 GLN GLN A . n A 1 142 THR 142 142 142 THR THR A . n A 1 143 GLN 143 143 143 GLN GLN A . n A 1 144 TYR 144 144 144 TYR TYR A . n A 1 145 ARG 145 145 145 ARG ARG A . n A 1 146 LYS 146 146 146 LYS LYS A . n A 1 147 TYR 147 147 147 TYR TYR A . n A 1 148 VAL 148 148 148 VAL VAL A . n A 1 149 GLN 149 149 149 GLN GLN A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 VAL 151 151 151 VAL VAL A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 SER 153 153 153 SER SER A . n A 1 154 ARG 154 154 154 ARG ARG A . n A 1 155 TYR 155 155 155 TYR TYR A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 ASN 157 157 157 ASN ASN A . n A 1 158 SER 158 158 158 SER SER A . n A 1 159 THR 159 159 159 THR THR A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 ILE 161 161 161 ILE ILE A . n A 1 162 PHE 162 162 162 PHE PHE A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 TRP 164 164 164 TRP TRP A . n A 1 165 GLU 165 165 165 GLU GLU A . n A 1 166 LEU 166 166 166 LEU LEU A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 ASN 168 168 168 ASN ASN A . n A 1 169 GLU 169 169 169 GLU GLU A . n A 1 170 PRO 170 170 170 PRO PRO A . n A 1 171 ARG 171 171 171 ARG ARG A . n A 1 172 CYS 172 172 172 CYS CYS A . n A 1 173 ASN 173 173 173 ASN ASN A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 CYS 175 175 175 CYS CYS A . n A 1 176 SER 176 176 176 SER SER A . n A 1 177 THR 177 177 177 THR THR A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 VAL 179 179 179 VAL VAL A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 VAL 181 181 181 VAL VAL A . n A 1 182 GLN 182 182 182 GLN GLN A . n A 1 183 TRP 183 183 183 TRP TRP A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 THR 185 185 185 THR THR A . n A 1 186 SER 186 186 186 SER SER A . n A 1 187 VAL 187 187 187 VAL VAL A . n A 1 188 SER 188 188 188 SER SER A . n A 1 189 GLN 189 189 189 GLN GLN A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 VAL 191 191 191 VAL VAL A . n A 1 192 LYS 192 192 192 LYS LYS A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 LEU 194 194 194 LEU LEU A . n A 1 195 ASP 195 195 195 ASP ASP A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 ASN 197 197 197 ASN ASN A . n A 1 198 HIS 198 198 198 HIS HIS A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 VAL 200 200 200 VAL VAL A . n A 1 201 THR 201 201 201 THR THR A . n A 1 202 LEU 202 202 202 LEU LEU A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 ASP 204 204 204 ASP ASP A . n A 1 205 GLU 205 205 205 GLU GLU A . n A 1 206 GLY 206 206 206 GLY GLY A . n A 1 207 LEU 207 207 207 LEU LEU A . n A 1 208 GLY 208 208 208 GLY GLY A . n A 1 209 LEU 209 209 209 LEU LEU A . n A 1 210 SER 210 210 210 SER SER A . n A 1 211 THR 211 211 211 THR THR A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 ASP 213 213 213 ASP ASP A . n A 1 214 GLY 214 214 214 GLY GLY A . n A 1 215 ALA 215 215 215 ALA ALA A . n A 1 216 TYR 216 216 216 TYR TYR A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 TYR 218 218 218 TYR TYR A . n A 1 219 THR 219 219 219 THR THR A . n A 1 220 TYR 220 220 220 TYR TYR A . n A 1 221 GLY 221 221 221 GLY GLY A . n A 1 222 GLU 222 222 222 GLU GLU A . n A 1 223 GLY 223 223 223 GLY GLY A . n A 1 224 THR 224 224 224 THR THR A . n A 1 225 ASP 225 225 225 ASP ASP A . n A 1 226 PHE 226 226 226 PHE PHE A . n A 1 227 ALA 227 227 227 ALA ALA A . n A 1 228 LYS 228 228 228 LYS LYS A . n A 1 229 ASN 229 229 229 ASN ASN A . n A 1 230 VAL 230 230 230 VAL VAL A . n A 1 231 GLN 231 231 231 GLN GLN A . n A 1 232 ILE 232 232 232 ILE ILE A . n A 1 233 LYS 233 233 233 LYS LYS A . n A 1 234 SER 234 234 234 SER SER A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ASP 236 236 236 ASP ASP A . n A 1 237 PHE 237 237 237 PHE PHE A . n A 1 238 GLY 238 238 238 GLY GLY A . n A 1 239 THR 239 239 239 THR THR A . n A 1 240 PHE 240 240 240 PHE PHE A . n A 1 241 HIS 241 241 241 HIS HIS A . n A 1 242 LEU 242 242 242 LEU LEU A . n A 1 243 TYR 243 243 243 TYR TYR A . n A 1 244 PRO 244 244 244 PRO PRO A . n A 1 245 ASP 245 245 245 ASP ASP A . n A 1 246 SER 246 246 246 SER SER A . n A 1 247 TRP 247 247 247 TRP TRP A . n A 1 248 GLY 248 248 248 GLY GLY A . n A 1 249 THR 249 249 249 THR THR A . n A 1 250 ASN 250 250 250 ASN ASN A . n A 1 251 TYR 251 251 251 TYR TYR A . n A 1 252 THR 252 252 252 THR THR A . n A 1 253 TRP 253 253 253 TRP TRP A . n A 1 254 GLY 254 254 254 GLY GLY A . n A 1 255 ASN 255 255 255 ASN ASN A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 TRP 257 257 257 TRP TRP A . n A 1 258 ILE 258 258 258 ILE ILE A . n A 1 259 GLN 259 259 259 GLN GLN A . n A 1 260 THR 260 260 260 THR THR A . n A 1 261 HIS 261 261 261 HIS HIS A . n A 1 262 ALA 262 262 262 ALA ALA A . n A 1 263 ALA 263 263 263 ALA ALA A . n A 1 264 ALA 264 264 264 ALA ALA A . n A 1 265 CYS 265 265 265 CYS CYS A . n A 1 266 LEU 266 266 266 LEU LEU A . n A 1 267 ALA 267 267 267 ALA ALA A . n A 1 268 ALA 268 268 268 ALA ALA A . n A 1 269 GLY 269 269 269 GLY GLY A . n A 1 270 LYS 270 270 270 LYS LYS A . n A 1 271 PRO 271 271 271 PRO PRO A . n A 1 272 CYS 272 272 272 CYS CYS A . n A 1 273 VAL 273 273 273 VAL VAL A . n A 1 274 PHE 274 274 274 PHE PHE A . n A 1 275 GLU 275 275 275 GLU GLU A . n A 1 276 GLU 276 276 276 GLU GLU A . n A 1 277 TYR 277 277 277 TYR TYR A . n A 1 278 GLY 278 278 278 GLY GLY A . n A 1 279 ALA 279 279 279 ALA ALA A . n A 1 280 GLN 280 280 280 GLN GLN A . n A 1 281 GLN 281 281 281 GLN GLN A . n A 1 282 ASN 282 282 282 ASN ASN A . n A 1 283 PRO 283 283 283 PRO PRO A . n A 1 284 CYS 284 284 284 CYS CYS A . n A 1 285 THR 285 285 285 THR THR A . n A 1 286 ASN 286 286 286 ASN ASN A . n A 1 287 GLU 287 287 287 GLU GLU A . n A 1 288 ALA 288 288 288 ALA ALA A . n A 1 289 PRO 289 289 289 PRO PRO A . n A 1 290 TRP 290 290 290 TRP TRP A . n A 1 291 GLN 291 291 291 GLN GLN A . n A 1 292 THR 292 292 292 THR THR A . n A 1 293 THR 293 293 293 THR THR A . n A 1 294 SER 294 294 294 SER SER A . n A 1 295 LEU 295 295 295 LEU LEU A . n A 1 296 THR 296 296 296 THR THR A . n A 1 297 THR 297 297 297 THR THR A . n A 1 298 ARG 298 298 298 ARG ARG A . n A 1 299 GLY 299 299 299 GLY GLY A . n A 1 300 MET 300 300 300 MET MET A . n A 1 301 GLY 301 301 301 GLY GLY A . n A 1 302 GLY 302 302 302 GLY GLY A . n A 1 303 ASP 303 303 303 ASP ASP A . n A 1 304 MET 304 304 304 MET MET A . n A 1 305 PHE 305 305 305 PHE PHE A . n A 1 306 TRP 306 306 306 TRP TRP A . n A 1 307 GLN 307 307 307 GLN GLN A . n A 1 308 TRP 308 308 308 TRP TRP A . n A 1 309 GLY 309 309 309 GLY GLY A . n A 1 310 ASP 310 310 310 ASP ASP A . n A 1 311 THR 311 311 311 THR THR A . n A 1 312 PHE 312 312 312 PHE PHE A . n A 1 313 ALA 313 313 313 ALA ALA A . n A 1 314 ASN 314 314 314 ASN ASN A . n A 1 315 GLY 315 315 315 GLY GLY A . n A 1 316 ALA 316 316 316 ALA ALA A . n A 1 317 GLN 317 317 317 GLN GLN A . n A 1 318 SER 318 318 318 SER SER A . n A 1 319 ASN 319 319 319 ASN ASN A . n A 1 320 SER 320 320 320 SER SER A . n A 1 321 ASP 321 321 321 ASP ASP A . n A 1 322 PRO 322 322 322 PRO PRO A . n A 1 323 TYR 323 323 323 TYR TYR A . n A 1 324 THR 324 324 324 THR THR A . n A 1 325 VAL 325 325 325 VAL VAL A . n A 1 326 TRP 326 326 326 TRP TRP A . n A 1 327 TYR 327 327 327 TYR TYR A . n A 1 328 ASN 328 328 328 ASN ASN A . n A 1 329 SER 329 329 329 SER SER A . n A 1 330 SER 330 330 330 SER SER A . n A 1 331 ASN 331 331 331 ASN ASN A . n A 1 332 TRP 332 332 332 TRP TRP A . n A 1 333 GLN 333 333 333 GLN GLN A . n A 1 334 CYS 334 334 334 CYS CYS A . n A 1 335 LEU 335 335 335 LEU LEU A . n A 1 336 VAL 336 336 336 VAL VAL A . n A 1 337 LYS 337 337 337 LYS LYS A . n A 1 338 ASN 338 338 338 ASN ASN A . n A 1 339 HIS 339 339 339 HIS HIS A . n A 1 340 VAL 340 340 340 VAL VAL A . n A 1 341 ASP 341 341 341 ASP ASP A . n A 1 342 ALA 342 342 342 ALA ALA A . n A 1 343 ILE 343 343 343 ILE ILE A . n A 1 344 ASN 344 344 344 ASN ASN 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 SO4 1 402 402 SO4 SO4 A . C 3 GOL 1 410 410 GOL GOL A . D 4 NAG 1 430 430 NAG NAG A . E 4 NAG 1 431 431 NAG NAG A . F 4 NAG 1 432 432 NAG NAG A . G 4 NAG 1 433 433 NAG NAG A . H 5 HOH 1 2001 2001 HOH HOH A . H 5 HOH 2 2002 2002 HOH HOH A . H 5 HOH 3 2003 2003 HOH HOH A . H 5 HOH 4 2004 2004 HOH HOH A . H 5 HOH 5 2005 2005 HOH HOH A . H 5 HOH 6 2006 2006 HOH HOH A . H 5 HOH 7 2007 2007 HOH HOH A . H 5 HOH 8 2008 2008 HOH HOH A . H 5 HOH 9 2009 2009 HOH HOH A . H 5 HOH 10 2010 2010 HOH HOH A . H 5 HOH 11 2011 2011 HOH HOH A . H 5 HOH 12 2012 2012 HOH HOH A . H 5 HOH 13 2013 2013 HOH HOH A . H 5 HOH 14 2014 2014 HOH HOH A . H 5 HOH 15 2015 2015 HOH HOH A . H 5 HOH 16 2016 2016 HOH HOH A . H 5 HOH 17 2017 2017 HOH HOH A . H 5 HOH 18 2018 2018 HOH HOH A . H 5 HOH 19 2019 2019 HOH HOH A . H 5 HOH 20 2020 2020 HOH HOH A . H 5 HOH 21 2021 2021 HOH HOH A . H 5 HOH 22 2022 2022 HOH HOH A . H 5 HOH 23 2023 2023 HOH HOH A . H 5 HOH 24 2024 2024 HOH HOH A . H 5 HOH 25 2025 2025 HOH HOH A . H 5 HOH 26 2026 2026 HOH HOH A . H 5 HOH 27 2027 2027 HOH HOH A . H 5 HOH 28 2028 2028 HOH HOH A . H 5 HOH 29 2029 2029 HOH HOH A . H 5 HOH 30 2030 2030 HOH HOH A . H 5 HOH 31 2031 2031 HOH HOH A . H 5 HOH 32 2032 2032 HOH HOH A . H 5 HOH 33 2033 2033 HOH HOH A . H 5 HOH 34 2034 2034 HOH HOH A . H 5 HOH 35 2035 2035 HOH HOH A . H 5 HOH 36 2036 2036 HOH HOH A . H 5 HOH 37 2037 2037 HOH HOH A . H 5 HOH 38 2038 2038 HOH HOH A . H 5 HOH 39 2039 2039 HOH HOH A . H 5 HOH 40 2040 2040 HOH HOH A . H 5 HOH 41 2041 2041 HOH HOH A . H 5 HOH 42 2042 2042 HOH HOH A . H 5 HOH 43 2043 2043 HOH HOH A . H 5 HOH 44 2044 2044 HOH HOH A . H 5 HOH 45 2045 2045 HOH HOH A . H 5 HOH 46 2046 2046 HOH HOH A . H 5 HOH 47 2047 2047 HOH HOH A . H 5 HOH 48 2048 2048 HOH HOH A . H 5 HOH 49 2049 2049 HOH HOH A . H 5 HOH 50 2050 2050 HOH HOH A . H 5 HOH 51 2051 2051 HOH HOH A . H 5 HOH 52 2052 2052 HOH HOH A . H 5 HOH 53 2053 2053 HOH HOH A . H 5 HOH 54 2054 2054 HOH HOH A . H 5 HOH 55 2055 2055 HOH HOH A . H 5 HOH 56 2056 2056 HOH HOH A . H 5 HOH 57 2057 2057 HOH HOH A . H 5 HOH 58 2058 2058 HOH HOH A . H 5 HOH 59 2059 2059 HOH HOH A . H 5 HOH 60 2060 2060 HOH HOH A . H 5 HOH 61 2061 2061 HOH HOH A . H 5 HOH 62 2062 2062 HOH HOH A . H 5 HOH 63 2063 2063 HOH HOH A . H 5 HOH 64 2064 2064 HOH HOH A . H 5 HOH 65 2065 2065 HOH HOH A . H 5 HOH 66 2066 2066 HOH HOH A . H 5 HOH 67 2067 2067 HOH HOH A . H 5 HOH 68 2068 2068 HOH HOH A . H 5 HOH 69 2069 2069 HOH HOH A . H 5 HOH 70 2070 2070 HOH HOH A . H 5 HOH 71 2071 2071 HOH HOH A . H 5 HOH 72 2072 2072 HOH HOH A . H 5 HOH 73 2073 2073 HOH HOH A . H 5 HOH 74 2074 2074 HOH HOH A . H 5 HOH 75 2075 2075 HOH HOH A . H 5 HOH 76 2076 2076 HOH HOH A . H 5 HOH 77 2077 2077 HOH HOH A . H 5 HOH 78 2078 2078 HOH HOH A . H 5 HOH 79 2079 2079 HOH HOH A . H 5 HOH 80 2080 2080 HOH HOH A . H 5 HOH 81 2081 2081 HOH HOH A . H 5 HOH 82 2082 2082 HOH HOH A . H 5 HOH 83 2083 2083 HOH HOH A . H 5 HOH 84 2084 2084 HOH HOH A . H 5 HOH 85 2085 2085 HOH HOH A . H 5 HOH 86 2086 2086 HOH HOH A . H 5 HOH 87 2087 2087 HOH HOH A . H 5 HOH 88 2088 2088 HOH HOH A . H 5 HOH 89 2089 2089 HOH HOH A . H 5 HOH 90 2090 2090 HOH HOH A . H 5 HOH 91 2091 2091 HOH HOH A . H 5 HOH 92 2092 2092 HOH HOH A . H 5 HOH 93 2093 2093 HOH HOH A . H 5 HOH 94 2094 2094 HOH HOH A . H 5 HOH 95 2095 2095 HOH HOH A . H 5 HOH 96 2096 2096 HOH HOH A . H 5 HOH 97 2097 2097 HOH HOH A . H 5 HOH 98 2098 2098 HOH HOH A . H 5 HOH 99 2099 2099 HOH HOH A . H 5 HOH 100 2100 2100 HOH HOH A . H 5 HOH 101 2101 2101 HOH HOH A . H 5 HOH 102 2102 2102 HOH HOH A . H 5 HOH 103 2103 2103 HOH HOH A . H 5 HOH 104 2104 2104 HOH HOH A . H 5 HOH 105 2105 2105 HOH HOH A . H 5 HOH 106 2106 2106 HOH HOH A . H 5 HOH 107 2107 2107 HOH HOH A . H 5 HOH 108 2108 2108 HOH HOH A . H 5 HOH 109 2109 2109 HOH HOH A . H 5 HOH 110 2110 2110 HOH HOH A . H 5 HOH 111 2111 2111 HOH HOH A . H 5 HOH 112 2112 2112 HOH HOH A . H 5 HOH 113 2113 2113 HOH HOH A . H 5 HOH 114 2114 2114 HOH HOH A . H 5 HOH 115 2115 2115 HOH HOH A . H 5 HOH 116 2116 2116 HOH HOH A . H 5 HOH 117 2117 2117 HOH HOH A . H 5 HOH 118 2118 2118 HOH HOH A . H 5 HOH 119 2119 2119 HOH HOH A . H 5 HOH 120 2120 2120 HOH HOH A . H 5 HOH 121 2121 2121 HOH HOH A . H 5 HOH 122 2122 2122 HOH HOH A . H 5 HOH 123 2123 2123 HOH HOH A . H 5 HOH 124 2124 2124 HOH HOH A . H 5 HOH 125 2125 2125 HOH HOH A . H 5 HOH 126 2126 2126 HOH HOH A . H 5 HOH 127 2127 2127 HOH HOH A . H 5 HOH 128 2128 2128 HOH HOH A . H 5 HOH 129 2129 2129 HOH HOH A . H 5 HOH 130 2130 2130 HOH HOH A . H 5 HOH 131 2131 2131 HOH HOH A . H 5 HOH 132 2132 2132 HOH HOH A . H 5 HOH 133 2133 2133 HOH HOH A . H 5 HOH 134 2134 2134 HOH HOH A . H 5 HOH 135 2135 2135 HOH HOH A . H 5 HOH 136 2136 2136 HOH HOH A . H 5 HOH 137 2137 2137 HOH HOH A . H 5 HOH 138 2138 2138 HOH HOH A . H 5 HOH 139 2139 2139 HOH HOH A . H 5 HOH 140 2140 2140 HOH HOH A . H 5 HOH 141 2141 2141 HOH HOH A . H 5 HOH 142 2142 2142 HOH HOH A . H 5 HOH 143 2143 2143 HOH HOH A . H 5 HOH 144 2144 2144 HOH HOH A . H 5 HOH 145 2145 2145 HOH HOH A . H 5 HOH 146 2146 2146 HOH HOH A . H 5 HOH 147 2147 2147 HOH HOH A . H 5 HOH 148 2148 2148 HOH HOH A . H 5 HOH 149 2149 2149 HOH HOH A . H 5 HOH 150 2150 2150 HOH HOH A . H 5 HOH 151 2151 2151 HOH HOH A . H 5 HOH 152 2152 2152 HOH HOH A . H 5 HOH 153 2153 2153 HOH HOH A . H 5 HOH 154 2154 2154 HOH HOH A . H 5 HOH 155 2155 2155 HOH HOH A . H 5 HOH 156 2156 2156 HOH HOH A . H 5 HOH 157 2157 2157 HOH HOH A . H 5 HOH 158 2158 2158 HOH HOH A . H 5 HOH 159 2159 2159 HOH HOH A . H 5 HOH 160 2160 2160 HOH HOH A . H 5 HOH 161 2161 2161 HOH HOH A . H 5 HOH 162 2162 2162 HOH HOH A . H 5 HOH 163 2163 2163 HOH HOH A . H 5 HOH 164 2164 2164 HOH HOH A . H 5 HOH 165 2165 2165 HOH HOH A . H 5 HOH 166 2166 2166 HOH HOH A . H 5 HOH 167 2167 2167 HOH HOH A . H 5 HOH 168 2168 2168 HOH HOH A . H 5 HOH 169 2169 2169 HOH HOH A . H 5 HOH 170 2170 2170 HOH HOH A . H 5 HOH 171 2171 2171 HOH HOH A . H 5 HOH 172 2172 2172 HOH HOH A . H 5 HOH 173 2173 2173 HOH HOH A . H 5 HOH 174 2174 2174 HOH HOH A . H 5 HOH 175 2175 2175 HOH HOH A . H 5 HOH 176 2176 2176 HOH HOH A . H 5 HOH 177 2177 2177 HOH HOH A . H 5 HOH 178 2178 2178 HOH HOH A . H 5 HOH 179 2179 2179 HOH HOH A . H 5 HOH 180 2180 2180 HOH HOH A . H 5 HOH 181 2181 2181 HOH HOH A . H 5 HOH 182 2182 2182 HOH HOH A . H 5 HOH 183 2183 2183 HOH HOH A . H 5 HOH 184 2184 2184 HOH HOH A . H 5 HOH 185 2185 2185 HOH HOH A . H 5 HOH 186 2186 2186 HOH HOH A . H 5 HOH 187 2187 2187 HOH HOH A . H 5 HOH 188 2188 2188 HOH HOH A . H 5 HOH 189 2189 2189 HOH HOH A . H 5 HOH 190 2190 2190 HOH HOH A . H 5 HOH 191 2191 2191 HOH HOH A . H 5 HOH 192 2192 2192 HOH HOH A . H 5 HOH 193 2193 2193 HOH HOH A . H 5 HOH 194 2194 2194 HOH HOH A . H 5 HOH 195 2195 2195 HOH HOH A . H 5 HOH 196 2196 2196 HOH HOH A . H 5 HOH 197 2197 2197 HOH HOH A . H 5 HOH 198 2198 2198 HOH HOH A . H 5 HOH 199 2199 2199 HOH HOH A . H 5 HOH 200 2200 2200 HOH HOH A . H 5 HOH 201 2201 2201 HOH HOH A . H 5 HOH 202 2202 2202 HOH HOH A . H 5 HOH 203 2203 2203 HOH HOH A . H 5 HOH 204 2204 2204 HOH HOH A . H 5 HOH 205 2205 2205 HOH HOH A . H 5 HOH 206 2206 2206 HOH HOH A . H 5 HOH 207 2207 2207 HOH HOH A . H 5 HOH 208 2208 2208 HOH HOH A . H 5 HOH 209 2209 2209 HOH HOH A . H 5 HOH 210 2210 2210 HOH HOH A . H 5 HOH 211 2211 2211 HOH HOH A . H 5 HOH 212 2212 2212 HOH HOH A . H 5 HOH 213 2213 2213 HOH HOH A . H 5 HOH 214 2214 2214 HOH HOH A . H 5 HOH 215 2215 2215 HOH HOH A . H 5 HOH 216 2216 2216 HOH HOH A . H 5 HOH 217 2217 2217 HOH HOH A . H 5 HOH 218 2218 2218 HOH HOH A . H 5 HOH 219 2219 2219 HOH HOH A . H 5 HOH 220 2220 2220 HOH HOH A . H 5 HOH 221 2221 2221 HOH HOH A . H 5 HOH 222 2222 2222 HOH HOH A . H 5 HOH 223 2223 2223 HOH HOH A . H 5 HOH 224 2224 2224 HOH HOH A . H 5 HOH 225 2225 2225 HOH HOH A . H 5 HOH 226 2226 2226 HOH HOH A . H 5 HOH 227 2227 2227 HOH HOH A . H 5 HOH 228 2228 2228 HOH HOH A . H 5 HOH 229 2229 2229 HOH HOH A . H 5 HOH 230 2230 2230 HOH HOH A . H 5 HOH 231 2231 2231 HOH HOH A . H 5 HOH 232 2232 2232 HOH HOH A . H 5 HOH 233 2233 2233 HOH HOH A . H 5 HOH 234 2234 2234 HOH HOH A . H 5 HOH 235 2235 2235 HOH HOH A . H 5 HOH 236 2236 2236 HOH HOH A . H 5 HOH 237 2237 2237 HOH HOH A . H 5 HOH 238 2238 2238 HOH HOH A . H 5 HOH 239 2239 2239 HOH HOH A . H 5 HOH 240 2240 2240 HOH HOH A . H 5 HOH 241 2241 2241 HOH HOH A . H 5 HOH 242 2242 2242 HOH HOH A . H 5 HOH 243 2243 2243 HOH HOH A . H 5 HOH 244 2244 2244 HOH HOH A . H 5 HOH 245 2245 2245 HOH HOH A . H 5 HOH 246 2246 2246 HOH HOH A . H 5 HOH 247 2247 2247 HOH HOH A . H 5 HOH 248 2248 2248 HOH HOH A . H 5 HOH 249 2249 2249 HOH HOH A . H 5 HOH 250 2250 2250 HOH HOH A . H 5 HOH 251 2251 2251 HOH HOH A . H 5 HOH 252 2252 2252 HOH HOH A . H 5 HOH 253 2253 2253 HOH HOH A . H 5 HOH 254 2254 2254 HOH HOH A . H 5 HOH 255 2255 2255 HOH HOH A . H 5 HOH 256 2256 2256 HOH HOH A . H 5 HOH 257 2257 2257 HOH HOH A . H 5 HOH 258 2258 2258 HOH HOH A . H 5 HOH 259 2259 2259 HOH HOH A . H 5 HOH 260 2260 2260 HOH HOH A . H 5 HOH 261 2261 2261 HOH HOH A . H 5 HOH 262 2262 2262 HOH HOH A . H 5 HOH 263 2263 2263 HOH HOH A . H 5 HOH 264 2264 2264 HOH HOH A . H 5 HOH 265 2265 2265 HOH HOH A . H 5 HOH 266 2266 2266 HOH HOH A . H 5 HOH 267 2267 2267 HOH HOH A . H 5 HOH 268 2268 2268 HOH HOH A . H 5 HOH 269 2269 2269 HOH HOH A . H 5 HOH 270 2270 2270 HOH HOH A . H 5 HOH 271 2271 2271 HOH HOH A . H 5 HOH 272 2272 2272 HOH HOH A . H 5 HOH 273 2273 2273 HOH HOH A . H 5 HOH 274 2274 2274 HOH HOH A . H 5 HOH 275 2275 2275 HOH HOH A . H 5 HOH 276 2276 2276 HOH HOH A . H 5 HOH 277 2277 2277 HOH HOH A . H 5 HOH 278 2278 2278 HOH HOH A . H 5 HOH 279 2279 2279 HOH HOH A . H 5 HOH 280 2280 2280 HOH HOH A . H 5 HOH 281 2281 2281 HOH HOH A . H 5 HOH 282 2282 2282 HOH HOH A . H 5 HOH 283 2283 2283 HOH HOH A . H 5 HOH 284 2284 2284 HOH HOH A . H 5 HOH 285 2285 2285 HOH HOH A . H 5 HOH 286 2286 2286 HOH HOH A . H 5 HOH 287 2287 2287 HOH HOH A . H 5 HOH 288 2288 2288 HOH HOH A . H 5 HOH 289 2289 2289 HOH HOH A . H 5 HOH 290 2290 2290 HOH HOH A . H 5 HOH 291 2291 2291 HOH HOH A . H 5 HOH 292 2292 2292 HOH HOH A . H 5 HOH 293 2293 2293 HOH HOH A . H 5 HOH 294 2294 2294 HOH HOH A . H 5 HOH 295 2295 2295 HOH HOH A . H 5 HOH 296 2296 2296 HOH HOH A . H 5 HOH 297 2297 2297 HOH HOH A . H 5 HOH 298 2298 2298 HOH HOH A . H 5 HOH 299 2299 2299 HOH HOH A . H 5 HOH 300 2300 2300 HOH HOH A . H 5 HOH 301 2301 2301 HOH HOH A . H 5 HOH 302 2302 2302 HOH HOH A . H 5 HOH 303 2303 2303 HOH HOH A . H 5 HOH 304 2304 2304 HOH HOH A . H 5 HOH 305 2305 2305 HOH HOH A . H 5 HOH 306 2306 2306 HOH HOH A . H 5 HOH 307 2307 2307 HOH HOH A . H 5 HOH 308 2308 2308 HOH HOH A . H 5 HOH 309 2309 2309 HOH HOH A . H 5 HOH 310 2310 2310 HOH HOH A . H 5 HOH 311 2311 2311 HOH HOH A . H 5 HOH 312 2312 2312 HOH HOH A . H 5 HOH 313 2313 2313 HOH HOH A . H 5 HOH 314 2314 2314 HOH HOH A . H 5 HOH 315 2315 2315 HOH HOH A . H 5 HOH 316 2316 2316 HOH HOH A . H 5 HOH 317 2317 2317 HOH HOH A . H 5 HOH 318 2318 2318 HOH HOH A . H 5 HOH 319 2319 2319 HOH HOH A . H 5 HOH 320 2320 2320 HOH HOH A . H 5 HOH 321 2321 2321 HOH HOH A . H 5 HOH 322 2322 2322 HOH HOH A . H 5 HOH 323 2323 2323 HOH HOH A . H 5 HOH 324 2324 2324 HOH HOH A . H 5 HOH 325 2325 2325 HOH HOH A . H 5 HOH 326 2326 2326 HOH HOH A . H 5 HOH 327 2327 2327 HOH HOH A . H 5 HOH 328 2328 2328 HOH HOH A . H 5 HOH 329 2329 2329 HOH HOH A . H 5 HOH 330 2330 2330 HOH HOH A . H 5 HOH 331 2331 2331 HOH HOH A . H 5 HOH 332 2332 2332 HOH HOH A . H 5 HOH 333 2333 2333 HOH HOH A . H 5 HOH 334 2334 2334 HOH HOH A . H 5 HOH 335 2335 2335 HOH HOH A . H 5 HOH 336 2336 2336 HOH HOH A . H 5 HOH 337 2337 2337 HOH HOH A . H 5 HOH 338 2338 2338 HOH HOH A . H 5 HOH 339 2339 2339 HOH HOH A . H 5 HOH 340 2340 2340 HOH HOH A . H 5 HOH 341 2341 2341 HOH HOH A . H 5 HOH 342 2342 2342 HOH HOH A . H 5 HOH 343 2343 2343 HOH HOH A . H 5 HOH 344 2344 2344 HOH HOH A . H 5 HOH 345 2345 2345 HOH HOH A . H 5 HOH 346 2346 2346 HOH HOH A . H 5 HOH 347 2347 2347 HOH HOH A . H 5 HOH 348 2348 2348 HOH HOH A . H 5 HOH 349 2349 2349 HOH HOH A . H 5 HOH 350 2350 2350 HOH HOH A . H 5 HOH 351 2351 2351 HOH HOH A . H 5 HOH 352 2352 2352 HOH HOH A . H 5 HOH 353 2353 2353 HOH HOH A . H 5 HOH 354 2354 2354 HOH HOH A . H 5 HOH 355 2355 2355 HOH HOH A . H 5 HOH 356 2356 2356 HOH HOH A . H 5 HOH 357 2357 2357 HOH HOH A . H 5 HOH 358 2358 2358 HOH HOH A . H 5 HOH 359 2359 2359 HOH HOH A . H 5 HOH 360 2360 2360 HOH HOH A . H 5 HOH 361 2361 2361 HOH HOH A . H 5 HOH 362 2362 2362 HOH HOH A . H 5 HOH 363 2363 2363 HOH HOH A . H 5 HOH 364 2364 2364 HOH HOH A . H 5 HOH 365 2365 2365 HOH HOH A . H 5 HOH 366 2366 2366 HOH HOH A . H 5 HOH 367 2367 2367 HOH HOH A . H 5 HOH 368 2368 2368 HOH HOH A . H 5 HOH 369 2369 2369 HOH HOH A . H 5 HOH 370 2370 2370 HOH HOH A . H 5 HOH 371 2371 2371 HOH HOH A . H 5 HOH 372 2372 2372 HOH HOH A . H 5 HOH 373 2373 2373 HOH HOH A . H 5 HOH 374 2374 2374 HOH HOH A . H 5 HOH 375 2375 2375 HOH HOH A . H 5 HOH 376 2376 2376 HOH HOH A . H 5 HOH 377 2377 2377 HOH HOH A . H 5 HOH 378 2378 2378 HOH HOH A . H 5 HOH 379 2379 2379 HOH HOH A . H 5 HOH 380 2380 2380 HOH HOH A . H 5 HOH 381 2381 2381 HOH HOH A . H 5 HOH 382 2382 2382 HOH HOH A . H 5 HOH 383 2383 2383 HOH HOH A . H 5 HOH 384 2384 2384 HOH HOH A . H 5 HOH 385 2385 2385 HOH HOH A . H 5 HOH 386 2386 2386 HOH HOH A . H 5 HOH 387 2387 2387 HOH HOH A . H 5 HOH 388 2388 2388 HOH HOH A . H 5 HOH 389 2389 2389 HOH HOH A . H 5 HOH 390 2390 2390 HOH HOH A . H 5 HOH 391 2391 2391 HOH HOH A . H 5 HOH 392 2392 2392 HOH HOH A . H 5 HOH 393 2393 2393 HOH HOH A . H 5 HOH 394 2394 2394 HOH HOH A . H 5 HOH 395 2395 2395 HOH HOH A . H 5 HOH 396 2396 2396 HOH HOH A . H 5 HOH 397 2397 2397 HOH HOH A . H 5 HOH 398 2398 2398 HOH HOH A . H 5 HOH 399 2399 2399 HOH HOH A . H 5 HOH 400 2400 2400 HOH HOH A . H 5 HOH 401 2401 2401 HOH HOH A . H 5 HOH 402 2402 2402 HOH HOH A . H 5 HOH 403 2403 2403 HOH HOH A . H 5 HOH 404 2404 2404 HOH HOH A . H 5 HOH 405 2405 2405 HOH HOH A . H 5 HOH 406 2406 2406 HOH HOH A . H 5 HOH 407 2407 2407 HOH HOH A . H 5 HOH 408 2408 2408 HOH HOH A . H 5 HOH 409 2409 2409 HOH HOH A . H 5 HOH 410 2410 2410 HOH HOH A . H 5 HOH 411 2411 2411 HOH HOH A . H 5 HOH 412 2412 2412 HOH HOH A . H 5 HOH 413 2413 2413 HOH HOH A . H 5 HOH 414 2414 2414 HOH HOH A . H 5 HOH 415 2415 2415 HOH HOH A . H 5 HOH 416 2416 2416 HOH HOH A . H 5 HOH 417 2417 2417 HOH HOH A . H 5 HOH 418 2418 2418 HOH HOH A . H 5 HOH 419 2419 2419 HOH HOH A . H 5 HOH 420 2420 2420 HOH HOH A . H 5 HOH 421 2421 2421 HOH HOH A . H 5 HOH 422 2422 2422 HOH HOH A . H 5 HOH 423 2423 2423 HOH HOH A . H 5 HOH 424 2424 2424 HOH HOH A . H 5 HOH 425 2425 2425 HOH HOH A . H 5 HOH 426 2426 2426 HOH HOH A . H 5 HOH 427 2427 2427 HOH HOH A . H 5 HOH 428 2428 2428 HOH HOH A . H 5 HOH 429 2429 2429 HOH HOH A . H 5 HOH 430 2430 2430 HOH HOH A . H 5 HOH 431 2431 2431 HOH HOH A . H 5 HOH 432 2432 2432 HOH HOH A . H 5 HOH 433 2433 2433 HOH HOH A . H 5 HOH 434 2434 2434 HOH HOH A . H 5 HOH 435 2435 2435 HOH HOH A . H 5 HOH 436 2436 2436 HOH HOH A . H 5 HOH 437 2437 2437 HOH HOH A . H 5 HOH 438 2438 2438 HOH HOH A . H 5 HOH 439 2439 2439 HOH HOH A . H 5 HOH 440 2440 2440 HOH HOH A . H 5 HOH 441 2441 2441 HOH HOH A . H 5 HOH 442 2442 2442 HOH HOH A . H 5 HOH 443 2443 2443 HOH HOH A . H 5 HOH 444 2444 2444 HOH HOH A . H 5 HOH 445 2445 2445 HOH HOH A . H 5 HOH 446 2446 2446 HOH HOH A . H 5 HOH 447 2447 2447 HOH HOH A . H 5 HOH 448 2448 2448 HOH HOH A . H 5 HOH 449 2449 2449 HOH HOH A . H 5 HOH 450 2450 2450 HOH HOH A . H 5 HOH 451 2451 2451 HOH HOH A . H 5 HOH 452 2452 2452 HOH HOH A . H 5 HOH 453 2453 2453 HOH HOH A . H 5 HOH 454 2454 2454 HOH HOH A . H 5 HOH 455 2455 2455 HOH HOH A . H 5 HOH 456 2456 2456 HOH HOH A . H 5 HOH 457 2457 2457 HOH HOH A . H 5 HOH 458 2458 2458 HOH HOH A . H 5 HOH 459 2459 2459 HOH HOH A . H 5 HOH 460 2460 2460 HOH HOH A . H 5 HOH 461 2461 2461 HOH HOH A . H 5 HOH 462 2462 2462 HOH HOH A . H 5 HOH 463 2463 2463 HOH HOH A . H 5 HOH 464 2464 2464 HOH HOH A . H 5 HOH 465 2465 2465 HOH HOH A . H 5 HOH 466 2466 2466 HOH HOH A . H 5 HOH 467 2467 2467 HOH HOH A . H 5 HOH 468 2468 2468 HOH HOH A . H 5 HOH 469 2469 2469 HOH HOH A . H 5 HOH 470 2470 2470 HOH HOH A . H 5 HOH 471 2471 2471 HOH HOH A . H 5 HOH 472 2472 2472 HOH HOH A . H 5 HOH 473 2473 2473 HOH HOH A . H 5 HOH 474 2474 2474 HOH HOH A . H 5 HOH 475 2475 2475 HOH HOH A . H 5 HOH 476 2476 2476 HOH HOH A . H 5 HOH 477 2477 2477 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 130 A ASN 130 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 157 A ASN 157 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 250 A ASN 250 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 328 A ASN 328 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details software_defined_assembly _pdbx_struct_assembly.method_details PQS _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 # _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 2000-10-19 2 'Structure model' 1 1 2013-01-30 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 2 'Structure model' 'Derived calculations' 3 2 'Structure model' 'Non-polymer description' 4 2 'Structure model' Other 5 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement . ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OE2 A GLU 169 ? A O A HOH 2279 ? ? 2.01 2 1 O A HOH 2257 ? ? O A HOH 2259 ? ? 2.11 3 1 O A HOH 2365 ? ? O A HOH 2385 ? ? 2.19 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A PHE 42 ? ? CG A PHE 42 ? ? CD2 A PHE 42 ? ? 115.40 120.80 -5.40 0.70 N 2 1 CA A CYS 272 ? ? CB A CYS 272 ? ? SG A CYS 272 ? ? 121.03 114.20 6.83 1.10 N 3 1 CB A PHE 274 ? ? CG A PHE 274 ? ? CD2 A PHE 274 ? ? 115.70 120.80 -5.10 0.70 N 4 1 NE A ARG 298 ? ? CZ A ARG 298 ? ? NH2 A ARG 298 ? ? 125.72 120.30 5.42 0.50 N 5 1 CB A ASP 341 ? ? CG A ASP 341 ? ? OD1 A ASP 341 ? ? 125.59 118.30 7.29 0.90 N 6 1 CB A ASP 341 ? ? CG A ASP 341 ? ? OD2 A ASP 341 ? ? 111.58 118.30 -6.72 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 59 ? ? -166.52 88.98 2 1 TYR A 220 ? ? -115.40 54.71 3 1 ASN A 328 ? ? 74.79 -0.81 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 2044 ? 5.91 . 2 1 O ? A HOH 2054 ? 6.09 . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'SULFATE ION' SO4 3 GLYCEROL GOL 4 N-ACETYL-D-GLUCOSAMINE NAG 5 water HOH #