data_2DYX # _entry.id 2DYX # _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 2DYX RCSB RCSB026015 WWPDB D_1000026015 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1NKX 'Native structure' unspecified PDB 2B65 'COMPLEX WITH MALTOSE' unspecified PDB 2H4I 'COMPLEX WITH LACTOSE' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2DYX _pdbx_database_status.recvd_initial_deposition_date 2006-09-19 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Prem kumar, R.' 2 'Sinha, M.' 3 'Singh, N.' 4 'Sharma, S.' 5 'Kaur, P.' 6 'Bhushan, A.' 7 'Singh, T.P.' 8 # _citation.id primary _citation.title 'Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mir, R.' 1 primary 'Prem kumar, R.' 2 primary 'Sinha, M.' 3 primary 'Singh, N.' 4 primary 'Sharma, S.' 5 primary 'Kaur, P.' 6 primary 'Bhushan, A.' 7 primary 'Singh, T.P.' 8 # _cell.entry_id 2DYX _cell.length_a 63.588 _cell.length_b 50.400 _cell.length_c 65.930 _cell.angle_alpha 90.00 _cell.angle_beta 107.86 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2DYX _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 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 37655.504 1 ? ? 'residues 342-686' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 5 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE 342.296 1 ? ? ? ? 6 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 7 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 8 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 10 water nat water 18.015 293 ? ? ? ? # _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 ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name cattle _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus Bos _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_align_begin 322 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2DYX _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 345 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24627 _struct_ref_seq.db_align_beg 322 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 360 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 342 _struct_ref_seq.pdbx_auth_seq_align_end 686 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2DYX LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2DYX GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LAK saccharide . BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE ALLOLACTOSE 'C12 H22 O11' 342.296 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 2DYX _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.67 _exptl_crystal.density_percent_sol 53.92 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 298 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2006-09-08 _diffrn_detector.details Mirror # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator Graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5414 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5414 # _reflns.entry_id 2DYX _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.0 _reflns.number_obs 23518 _reflns.number_all 23518 _reflns.percent_possible_obs 96.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.047 _reflns.pdbx_netI_over_sigmaI 11.5 _reflns.B_iso_Wilson_estimate 29.592 _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.0 _reflns_shell.d_res_low 2.07 _reflns_shell.percent_possible_all 94.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.286 _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2DYX _refine.ls_number_reflns_obs 22744 _refine.ls_number_reflns_all 23505 _refine.pdbx_ls_sigma_I 0.0 _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 20.00 _refine.ls_d_res_high 2.0 _refine.ls_percent_reflns_obs 96.21 _refine.ls_R_factor_obs 0.17342 _refine.ls_R_factor_all 0.17441 _refine.ls_R_factor_R_work 0.17168 _refine.ls_R_factor_R_free 0.20138 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.2 _refine.ls_number_reflns_R_free 760 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.960 _refine.correlation_coeff_Fo_to_Fc_free 0.931 _refine.B_iso_mean 34.836 _refine.aniso_B[1][1] 0.72 _refine.aniso_B[2][2] -0.82 _refine.aniso_B[3][3] -0.49 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.96 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 1NKX _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.200 _refine.pdbx_overall_ESU_R_Free 0.176 _refine.overall_SU_ML 0.114 _refine.overall_SU_B 4.115 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 196 _refine_hist.number_atoms_solvent 293 _refine_hist.number_atoms_total 3094 _refine_hist.d_res_high 2.0 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.012 0.022 ? 2889 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.489 2.029 ? 3943 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.145 5.000 ? 343 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 38.818 25.083 ? 120 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.407 15.000 ? 452 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.480 15.000 ? 13 'X-RAY DIFFRACTION' ? r_chiral_restr 0.094 0.200 ? 475 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.020 ? 2062 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.242 0.200 ? 1239 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.322 0.200 ? 1991 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.188 0.200 ? 243 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.091 0.200 ? 2 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.312 0.200 ? 31 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.199 0.200 ? 12 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 2.013 1.500 ? 1743 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 3.099 2.000 ? 2723 'X-RAY DIFFRACTION' ? r_scbond_it 4.495 3.000 ? 1274 'X-RAY DIFFRACTION' ? r_scangle_it 6.665 4.500 ? 1220 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.0 _refine_ls_shell.d_res_low 2.073 _refine_ls_shell.number_reflns_R_work 1615 _refine_ls_shell.R_factor_R_work 0.22 _refine_ls_shell.percent_reflns_obs 93.35 _refine_ls_shell.R_factor_R_free 0.313 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 42 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2DYX _struct.title 'Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution' _struct.pdbx_descriptor Lactotransferrin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2DYX _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text 'C-LOBE, LACTOFERRIN, MELIBIOSE, COMPLEX, METAL BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 3 ? O N N 5 ? P N N 6 ? Q N N 7 ? R N N 8 ? S N N 8 ? T N N 9 ? U N N 10 ? # _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 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 PRO A 239 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P13 13 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.002 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.021 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.042 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.023 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.019 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.028 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.034 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.009 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.056 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.030 ? metalc1 metalc ? ? P FE . FE ? ? ? 1_555 A ASP 54 OD1 ? ? A FE 1002 A ASP 395 1_555 ? ? ? ? ? ? ? 2.034 ? metalc2 metalc ? ? P FE . FE ? ? ? 1_555 A TYR 92 OH ? ? A FE 1002 A TYR 433 1_555 ? ? ? ? ? ? ? 1.992 ? metalc3 metalc ? ? P FE . FE ? ? ? 1_555 A TYR 185 OH ? ? A FE 1002 A TYR 526 1_555 ? ? ? ? ? ? ? 1.920 ? metalc4 metalc ? ? P FE . FE ? ? ? 1_555 A HIS 254 NE2 ? ? A FE 1002 A HIS 595 1_555 ? ? ? ? ? ? ? 2.250 ? metalc5 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O1 ? ? A FE 1002 A CO3 1003 1_555 ? ? ? ? ? ? ? 2.127 ? metalc6 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O2 ? ? A FE 1002 A CO3 1003 1_555 ? ? ? ? ? ? ? 2.130 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.444 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.441 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.437 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.443 ? covale5 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 2 A BMA 3 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? D BMA . O4 ? ? ? 1_555 E MAN . C1 ? ? A BMA 3 A MAN 4 1_555 ? ? ? ? ? ? ? 1.442 ? covale7 covale ? ? D BMA . O6 ? ? ? 1_555 F BMA . C1 ? ? A BMA 3 A BMA 5 1_555 ? ? ? ? ? ? ? 1.437 ? covale8 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.444 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K BMA . C1 ? ? A NAG 690 A BMA 691 1_555 ? ? ? ? ? ? ? 1.438 ? covale11 covale ? ? K BMA . O4 ? ? ? 1_555 L BMA . C1 ? ? A BMA 691 A BMA 692 1_555 ? ? ? ? ? ? ? 1.441 ? covale12 covale ? ? L BMA . O4 ? ? ? 1_555 M MAN . C1 ? ? A BMA 692 A MAN 693 1_555 ? ? ? ? ? ? ? 1.437 ? covale13 covale ? ? M MAN . O4 ? ? ? 1_555 N BMA . C1 ? ? A MAN 693 A BMA 694 1_555 ? ? ? ? ? ? ? 1.438 ? metalc7 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE1 ? ? A ZN 1004 A GLU 659 1_555 ? ? ? ? ? ? ? 2.340 ? metalc8 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 1004 A GLU 659 1_555 ? ? ? ? ? ? ? 2.176 ? metalc9 metalc ? ? R ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 1004 A HOH 1163 1_555 ? ? ? ? ? ? ? 2.161 ? metalc10 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 1005 A HOH 1147 1_555 ? ? ? ? ? ? ? 1.898 ? metalc11 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 1005 A HOH 1283 1_555 ? ? ? ? ? ? ? 2.251 ? metalc12 metalc ? ? S ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 1005 A HIS 588 1_555 ? ? ? ? ? ? ? 2.119 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 3' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 4' AC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 5' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 687' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 688' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 689' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 690' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 691' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 692' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 693' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 694' BC5 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE LAK A 1001' BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 1002' BC7 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 1003' BC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 1004' BC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1005' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1006' # 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 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 3 AC1 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 4 AC1 4 HOH U . ? HOH A 1055 . ? 1_555 ? 5 AC2 5 NAG B . ? NAG A 1 . ? 1_555 ? 6 AC2 5 BMA D . ? BMA A 3 . ? 1_555 ? 7 AC2 5 GLU A 323 ? GLU A 664 . ? 1_555 ? 8 AC2 5 THR A 326 ? THR A 667 . ? 1_555 ? 9 AC2 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 10 AC3 3 NAG C . ? NAG A 2 . ? 1_555 ? 11 AC3 3 MAN E . ? MAN A 4 . ? 1_555 ? 12 AC3 3 BMA F . ? BMA A 5 . ? 1_555 ? 13 AC4 1 BMA D . ? BMA A 3 . ? 1_555 ? 14 AC5 1 BMA D . ? BMA A 3 . ? 1_555 ? 15 AC6 6 SER A 24 ? SER A 365 . ? 1_555 ? 16 AC6 6 ASN A 27 ? ASN A 368 . ? 1_555 ? 17 AC6 6 HIS A 272 ? HIS A 613 . ? 1_555 ? 18 AC6 6 GLN A 273 ? GLN A 614 . ? 1_555 ? 19 AC6 6 LEU A 276 ? LEU A 617 . ? 1_555 ? 20 AC6 6 NAG H . ? NAG A 688 . ? 1_555 ? 21 AC7 3 HIS A 272 ? HIS A 613 . ? 1_555 ? 22 AC7 3 NAG G . ? NAG A 687 . ? 1_555 ? 23 AC7 3 HOH U . ? HOH A 1144 . ? 1_555 ? 24 AC8 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 25 AC8 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 26 AC8 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 27 AC8 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 28 AC8 6 NAG J . ? NAG A 690 . ? 1_555 ? 29 AC8 6 HOH U . ? HOH A 1112 . ? 1_555 ? 30 AC9 3 TRP A 208 ? TRP A 549 . ? 1_555 ? 31 AC9 3 NAG I . ? NAG A 689 . ? 1_555 ? 32 AC9 3 BMA K . ? BMA A 691 . ? 1_555 ? 33 BC1 2 NAG J . ? NAG A 690 . ? 1_555 ? 34 BC1 2 BMA L . ? BMA A 692 . ? 1_555 ? 35 BC2 2 BMA K . ? BMA A 691 . ? 1_555 ? 36 BC2 2 MAN M . ? MAN A 693 . ? 1_555 ? 37 BC3 3 SER A 77 ? SER A 418 . ? 1_555 ? 38 BC3 3 BMA L . ? BMA A 692 . ? 1_555 ? 39 BC3 3 BMA N . ? BMA A 694 . ? 1_555 ? 40 BC4 1 MAN M . ? MAN A 693 . ? 1_555 ? 41 BC5 9 THR A 89 ? THR A 430 . ? 1_555 ? 42 BC5 9 GLU A 318 ? GLU A 659 . ? 1_555 ? 43 BC5 9 TYR A 319 ? TYR A 660 . ? 1_555 ? 44 BC5 9 LEU A 320 ? LEU A 661 . ? 1_555 ? 45 BC5 9 GLY A 321 ? GLY A 662 . ? 1_555 ? 46 BC5 9 THR A 322 ? THR A 663 . ? 1_555 ? 47 BC5 9 GLU A 323 ? GLU A 664 . ? 1_555 ? 48 BC5 9 HOH U . ? HOH A 1053 . ? 1_555 ? 49 BC5 9 HOH U . ? HOH A 1291 . ? 1_555 ? 50 BC6 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 51 BC6 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 52 BC6 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 53 BC6 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 54 BC6 5 CO3 Q . ? CO3 A 1003 . ? 1_555 ? 55 BC7 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 56 BC7 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 57 BC7 10 THR A 118 ? THR A 459 . ? 1_555 ? 58 BC7 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 59 BC7 10 THR A 123 ? THR A 464 . ? 1_555 ? 60 BC7 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 61 BC7 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 62 BC7 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 63 BC7 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 64 BC7 10 FE P . ? FE A 1002 . ? 1_555 ? 65 BC8 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 66 BC8 2 HOH U . ? HOH A 1163 . ? 1_555 ? 67 BC9 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 68 BC9 4 HOH U . ? HOH A 1147 . ? 1_555 ? 69 BC9 4 HOH U . ? HOH A 1148 . ? 1_555 ? 70 BC9 4 HOH U . ? HOH A 1283 . ? 1_555 ? 71 CC1 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 72 CC1 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 73 CC1 4 HOH U . ? HOH A 1099 . ? 1_555 ? 74 CC1 4 HOH U . ? HOH A 1165 . ? 1_555 ? # _database_PDB_matrix.entry_id 2DYX _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 2DYX _atom_sites.fract_transf_matrix[1][1] 0.015726 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005067 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019841 _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] 0.015936 _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 FE N O S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 1 ? 40.108 9.303 31.031 1.00 74.98 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 39.893 10.788 31.056 1.00 75.24 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.270 11.279 29.746 1.00 71.75 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 38.058 11.525 29.684 1.00 71.69 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 41.210 11.533 31.356 1.00 78.42 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 41.800 11.231 32.727 1.00 82.58 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 43.079 10.687 32.857 1.00 84.78 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 41.070 11.485 33.893 1.00 86.10 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 43.621 10.409 34.115 1.00 87.38 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 41.598 11.212 35.153 1.00 87.32 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 42.874 10.672 35.263 1.00 87.24 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 43.399 10.401 36.521 1.00 86.23 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.108 11.419 28.714 1.00 67.18 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.654 11.704 27.350 1.00 62.01 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.317 10.380 26.628 1.00 57.81 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.257 10.303 25.394 1.00 57.51 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.708 12.546 26.569 1.00 62.87 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 40.050 13.419 25.638 1.00 62.95 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.725 11.652 25.840 1.00 62.70 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.103 9.342 27.432 1.00 51.99 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.743 8.011 26.956 1.00 47.90 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.245 7.741 27.192 1.00 41.33 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.697 8.064 28.258 1.00 38.75 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.631 6.949 27.631 1.00 46.61 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.236 5.509 27.346 1.00 52.57 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.361 4.528 27.675 1.00 55.10 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.489 4.257 29.108 1.00 70.76 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.659 3.482 29.809 1.00 74.37 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.620 2.904 29.219 1.00 76.83 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.860 3.291 31.108 1.00 75.57 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.597 7.169 26.178 1.00 33.77 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.168 6.869 26.213 1.00 29.25 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.930 5.345 26.257 1.00 26.14 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.548 4.601 25.528 1.00 24.10 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.419 7.527 25.003 1.00 28.61 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.106 6.818 24.702 1.00 29.62 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.172 9.009 25.287 1.00 29.79 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.047 4.892 27.140 1.00 23.58 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.679 3.475 27.189 1.00 21.80 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.377 3.275 26.443 1.00 21.40 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.331 3.800 26.848 1.00 22.62 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.546 2.973 28.622 1.00 20.93 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.252 1.467 28.653 1.00 18.19 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.826 3.304 29.383 1.00 23.72 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.447 2.544 25.333 1.00 19.52 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.247 2.255 24.557 1.00 21.81 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.528 1.031 25.142 1.00 22.51 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.192 0.116 25.652 1.00 24.11 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.608 2.011 23.091 1.00 21.43 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.440 2.290 22.200 1.00 19.83 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.591 1.380 21.648 1.00 21.90 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.977 3.573 21.791 1.00 19.78 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.634 2.023 20.900 1.00 21.54 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.853 3.369 20.970 1.00 17.22 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.419 4.884 22.021 1.00 20.54 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.150 4.431 20.378 1.00 23.99 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.715 5.937 21.428 1.00 19.91 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.589 5.702 20.636 1.00 21.76 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.196 1.017 25.132 1.00 19.28 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.493 -0.201 25.557 1.00 20.32 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.975 -0.998 24.351 1.00 20.01 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.184 -0.497 23.555 1.00 19.56 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.352 0.091 26.556 1.00 19.62 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.868 -1.403 27.457 1.00 21.94 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.449 -2.237 24.231 1.00 21.14 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.117 -3.151 23.152 1.00 21.12 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.032 -4.098 23.616 1.00 21.34 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.095 -4.581 24.742 1.00 23.76 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.409 -3.974 22.738 1.00 22.06 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 26.032 -4.358 22.753 1.00 20.40 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.943 -5.267 23.095 1.00 18.77 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.191 -6.628 22.424 1.00 21.36 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 25.069 -6.768 21.201 1.00 20.48 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.521 -4.671 22.737 1.00 19.84 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.359 -5.628 23.143 1.00 16.05 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.350 -3.286 23.390 1.00 14.48 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.552 -7.622 23.240 1.00 20.24 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.807 -8.963 22.745 1.00 23.24 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.195 -9.127 22.139 1.00 24.25 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.933 -8.148 21.947 1.00 23.24 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.545 -10.381 21.806 1.00 27.38 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.886 -10.789 21.370 1.00 26.61 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.401 -10.254 20.015 1.00 26.45 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.604 -10.070 19.866 1.00 25.19 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.839 -12.327 21.408 1.00 28.97 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.390 -12.708 21.420 1.00 31.27 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.590 -11.509 21.890 1.00 26.99 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.517 -9.986 19.058 1.00 24.53 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.938 -9.507 17.759 1.00 25.64 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.267 -8.030 17.789 1.00 23.44 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.226 -7.595 17.152 1.00 23.44 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.860 -9.776 16.693 1.00 26.56 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.704 -11.245 16.331 1.00 29.08 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.693 -11.473 15.209 1.00 31.47 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.661 -10.768 15.142 1.00 33.04 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.933 -12.369 14.381 1.00 45.90 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.475 -7.249 18.534 1.00 21.34 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.801 -5.838 18.706 1.00 19.08 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.068 -5.699 19.533 1.00 19.75 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.835 -4.756 19.344 1.00 20.27 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.659 -5.066 19.374 1.00 18.68 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.475 -4.809 18.459 1.00 20.67 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.645 -3.644 18.951 1.00 24.72 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.851 -3.231 20.105 1.00 24.58 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.792 -3.141 18.201 1.00 21.40 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.263 -6.620 20.473 1.00 21.01 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.469 -6.630 21.289 1.00 23.29 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.722 -6.815 20.409 1.00 22.39 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.694 -6.107 20.565 1.00 21.67 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.412 -7.714 22.365 1.00 22.33 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.732 -7.806 23.141 1.00 23.74 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.793 -8.913 24.173 1.00 32.75 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.650 -10.100 23.857 1.00 45.80 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.042 -8.534 25.421 1.00 45.60 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.667 -7.763 19.475 1.00 24.00 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.742 -7.966 18.500 1.00 25.62 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 34.028 -6.734 17.634 1.00 24.34 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.171 -6.327 17.515 1.00 26.50 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.475 -9.243 17.688 1.00 26.13 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 33.687 -9.139 16.187 1.00 39.59 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 35.030 -9.686 15.766 1.00 47.67 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.187 -11.132 16.233 1.00 56.14 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 33.917 -11.911 16.088 1.00 50.34 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 33.000 -6.091 17.085 1.00 24.19 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.211 -4.827 16.371 1.00 23.79 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.821 -3.725 17.252 1.00 22.97 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.719 -2.986 16.826 1.00 22.65 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.929 -4.317 15.687 1.00 21.80 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.170 -3.114 14.735 1.00 23.94 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.888 -2.674 14.030 1.00 21.03 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.971 -1.274 13.407 1.00 17.48 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.774 -0.977 12.518 1.00 21.81 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.328 -3.599 18.474 1.00 22.20 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.834 -2.581 19.371 1.00 23.78 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.324 -2.801 19.656 1.00 24.14 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 36.097 -1.845 19.714 1.00 24.11 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 33.008 -2.582 20.677 1.00 24.68 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.402 -1.266 21.834 1.00 23.15 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.717 -4.058 19.881 1.00 26.83 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.120 -4.386 20.155 1.00 29.53 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 38.045 -3.928 19.025 1.00 28.79 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.100 -3.328 19.282 1.00 29.38 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.289 -5.887 20.471 1.00 27.46 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.970 -6.206 21.922 1.00 35.71 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.875 -7.712 22.216 1.00 37.86 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.752 -8.539 21.305 1.00 50.83 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.916 -8.061 23.498 1.00 43.80 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.633 -4.171 17.782 1.00 28.76 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.344 -3.675 16.600 1.00 31.38 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.496 -2.161 16.571 1.00 29.94 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.565 -1.633 16.285 1.00 29.46 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.613 -4.122 15.339 1.00 31.09 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.802 -5.597 15.000 1.00 39.67 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.076 -5.997 13.714 1.00 42.69 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.187 -5.320 12.678 1.00 56.88 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.325 -7.096 13.776 1.00 55.01 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.400 -1.463 16.845 1.00 30.06 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.392 -0.019 16.933 1.00 26.53 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.281 0.439 18.070 1.00 26.76 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 39.029 1.401 17.929 1.00 27.93 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.953 0.444 17.128 1.00 26.60 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.727 1.921 17.284 1.00 28.21 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.550 2.943 16.886 1.00 27.35 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.552 2.540 17.834 1.00 27.10 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.973 4.162 17.192 1.00 27.07 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.748 3.941 17.771 1.00 24.23 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.358 2.039 18.404 1.00 24.07 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.803 4.857 18.266 1.00 24.67 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.423 2.952 18.910 1.00 26.65 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.653 4.355 18.817 1.00 25.76 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.201 -0.251 19.196 1.00 25.96 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 39.026 0.062 20.345 1.00 29.03 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.515 0.000 19.979 1.00 29.74 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.263 0.948 20.234 1.00 27.68 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.727 -0.894 21.507 1.00 27.62 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.525 -0.572 22.635 1.00 28.33 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.923 -1.125 19.397 1.00 32.36 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.285 -1.328 18.868 1.00 37.36 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.771 -0.225 17.925 1.00 35.38 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.826 0.349 18.149 1.00 35.30 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.356 -2.672 18.137 1.00 37.04 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.746 -3.038 17.611 1.00 45.76 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.835 -4.509 17.203 1.00 48.30 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.845 -5.258 17.301 1.00 59.52 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 45.022 -4.931 16.744 1.00 57.18 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.992 0.043 16.871 1.00 33.31 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.282 1.057 15.866 1.00 33.41 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.297 2.471 16.403 1.00 32.58 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.978 3.338 15.858 1.00 34.50 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.262 0.996 14.716 1.00 31.56 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.395 -0.233 13.839 1.00 38.87 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.815 -0.394 13.280 1.00 43.54 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.316 0.481 12.582 1.00 49.98 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.466 -1.497 13.613 1.00 41.61 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.533 2.718 17.455 1.00 31.69 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.455 4.046 18.044 1.00 32.30 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.607 4.258 19.049 1.00 33.34 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.710 5.315 19.684 1.00 33.02 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.111 4.235 18.746 1.00 29.68 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.108 3.524 19.972 1.00 30.27 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.445 3.242 19.203 1.00 35.51 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.544 3.302 20.168 1.00 38.46 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.048 3.498 21.590 1.00 40.23 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.662 4.236 22.384 1.00 40.09 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.928 2.843 21.909 1.00 40.67 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.316 2.899 23.252 1.00 40.47 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.731 4.256 23.590 1.00 37.68 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.461 4.542 24.751 1.00 40.09 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.317 2.503 24.340 1.00 41.44 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.311 1.032 24.699 1.00 50.54 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.711 0.157 23.545 1.00 59.59 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.779 0.336 22.953 1.00 64.09 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.855 -0.802 23.209 1.00 65.62 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.526 5.107 22.598 1.00 35.83 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.678 6.276 22.845 1.00 33.39 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.238 5.832 23.134 1.00 32.11 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.506 6.498 23.852 1.00 29.38 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.760 7.306 21.710 1.00 33.40 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.082 8.111 21.738 1.00 40.60 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.822 8.090 22.735 1.00 44.62 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.377 8.803 20.632 1.00 45.23 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.851 4.693 22.565 1.00 30.02 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.579 4.064 22.868 1.00 29.61 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.853 2.674 23.407 1.00 27.23 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.709 1.942 22.889 1.00 27.66 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.654 3.992 21.609 1.00 30.34 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.407 3.147 21.894 1.00 32.40 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.252 5.409 21.159 1.00 30.38 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.164 2.333 24.485 1.00 26.34 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.196 0.974 25.009 1.00 25.67 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.756 0.483 25.122 1.00 25.08 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.822 1.240 24.872 1.00 25.47 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.919 0.890 26.382 1.00 24.32 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.307 1.825 27.263 1.00 29.19 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.372 1.280 26.239 1.00 26.55 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.581 -0.772 25.514 1.00 25.55 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.298 -1.436 25.352 1.00 26.81 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.834 -2.102 26.627 1.00 28.16 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.605 -2.819 27.257 1.00 29.62 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.423 -2.528 24.304 1.00 25.51 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 35.052 -1.938 22.789 1.00 26.72 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.577 -1.857 26.991 1.00 24.24 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.879 -2.672 27.956 1.00 24.88 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.804 -3.439 27.167 1.00 25.77 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.340 -2.952 26.123 1.00 24.03 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.260 -1.788 29.041 1.00 23.76 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.419 -4.629 27.637 1.00 26.66 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.401 -5.454 26.948 1.00 26.30 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.301 -5.884 27.914 1.00 25.50 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.579 -6.157 29.073 1.00 27.00 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.016 -6.721 26.272 1.00 27.56 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.174 -6.352 25.527 1.00 33.95 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.022 -7.377 25.298 1.00 30.34 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.057 -5.910 27.424 1.00 23.29 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.865 -6.361 28.173 1.00 21.39 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 25.017 -7.224 27.232 1.00 21.65 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.162 -7.148 26.005 1.00 22.52 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.049 -5.168 28.700 1.00 20.77 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.140 -8.049 27.792 1.00 23.50 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.321 -8.939 26.975 1.00 23.89 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.133 -8.221 26.363 1.00 22.38 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.493 -8.734 25.446 1.00 22.05 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.796 -10.135 27.800 1.00 23.96 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.845 -11.059 28.055 1.00 35.78 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.821 -7.045 26.867 1.00 19.29 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.630 -6.349 26.386 1.00 19.22 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.842 -4.856 26.473 1.00 21.23 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.734 -4.384 27.207 1.00 21.38 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.376 -6.712 27.222 1.00 21.15 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.361 -5.956 28.441 1.00 22.04 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 19.339 -8.223 27.566 1.00 21.42 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 20.041 -4.122 25.708 1.00 18.31 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.139 -2.677 25.661 1.00 19.89 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.831 -2.099 27.039 1.00 19.15 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.512 -1.177 27.490 1.00 16.78 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.187 -2.078 24.611 1.00 17.33 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.476 -2.659 23.333 1.00 22.76 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.345 -0.570 24.527 1.00 18.24 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.826 -2.649 27.709 1.00 18.13 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.481 -2.171 29.043 1.00 20.96 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.615 -2.337 30.031 1.00 19.67 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.802 -1.481 30.887 1.00 18.71 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.257 -2.882 29.596 1.00 22.55 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.976 -2.463 28.914 1.00 31.01 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.937 -1.429 28.220 1.00 39.67 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.995 -3.187 29.092 1.00 39.72 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.351 -3.447 29.932 1.00 16.50 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.535 -3.607 30.751 1.00 19.93 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.624 -2.621 30.411 1.00 18.90 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.342 -2.215 31.312 1.00 19.11 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 22.128 -5.002 30.676 1.00 17.68 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.310 -6.042 31.436 1.00 26.10 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.297 -5.705 32.082 1.00 20.86 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.714 -7.219 31.369 1.00 36.03 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.791 -2.287 29.128 1.00 17.92 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.757 -1.257 28.757 1.00 17.63 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.379 0.083 29.357 1.00 19.46 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.241 0.811 29.824 1.00 22.30 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.888 -1.107 27.235 1.00 18.15 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.230 -2.128 26.564 1.00 18.46 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 22.090 0.393 29.367 1.00 19.30 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.591 1.635 29.963 1.00 21.03 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.931 1.762 31.440 1.00 20.33 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.296 2.834 31.933 1.00 20.39 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 20.057 1.772 29.723 1.00 20.83 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.814 2.149 28.257 1.00 20.20 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.424 2.798 30.720 1.00 23.28 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.372 2.036 27.760 1.00 22.02 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.867 0.632 32.137 1.00 20.95 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.220 0.565 33.549 1.00 19.40 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.713 0.762 33.756 1.00 19.21 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 24.098 1.453 34.682 1.00 15.77 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.752 -0.778 34.186 1.00 17.77 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.316 -0.962 35.566 1.00 21.54 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.229 -0.829 34.242 1.00 18.91 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.542 0.143 32.904 1.00 18.26 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.981 0.387 32.961 1.00 20.27 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.281 1.881 32.817 1.00 19.13 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.102 2.455 33.575 1.00 18.06 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.711 -0.428 31.892 1.00 18.33 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.733 -1.950 32.112 1.00 20.62 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.566 -2.655 31.027 1.00 20.07 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.254 -2.279 33.490 1.00 19.73 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.611 2.517 31.857 1.00 18.63 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.821 3.967 31.655 1.00 19.84 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.432 4.792 32.915 1.00 20.84 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.185 5.649 33.365 1.00 20.43 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.088 4.499 30.407 1.00 19.67 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.285 6.025 30.277 1.00 17.86 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.616 3.822 29.156 1.00 19.07 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.270 4.500 33.493 1.00 22.48 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.797 5.171 34.720 1.00 24.26 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.774 4.978 35.888 1.00 24.98 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.040 5.911 36.673 1.00 20.08 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.425 4.613 35.142 1.00 22.16 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.233 5.153 34.366 1.00 31.19 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.982 4.311 34.648 1.00 33.20 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.042 6.634 34.729 1.00 27.19 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.310 3.763 36.002 1.00 22.41 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.281 3.488 37.048 1.00 20.77 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.596 4.223 36.795 1.00 21.19 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.412 4.369 37.709 1.00 21.68 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.518 1.975 37.168 1.00 18.50 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.368 1.235 37.850 1.00 21.64 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.749 -0.184 38.305 1.00 18.59 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.054 -1.096 37.134 1.00 24.94 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.631 -2.455 37.539 1.00 29.19 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.806 4.658 35.549 1.00 22.22 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.047 5.282 35.159 1.00 19.63 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.125 4.297 34.770 1.00 23.39 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.290 4.675 34.642 1.00 24.68 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.744 3.039 34.548 1.00 22.81 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.690 2.000 34.125 1.00 20.76 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.854 1.930 32.607 1.00 22.87 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.836 1.369 32.100 1.00 25.07 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.302 0.637 34.731 1.00 20.34 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.473 0.615 36.231 1.00 25.04 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.761 -0.556 36.896 1.00 26.73 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.374 -0.423 38.070 1.00 27.35 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.576 -1.588 36.248 1.00 25.34 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.906 2.523 31.881 1.00 20.22 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.080 2.805 30.467 1.00 17.43 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.673 4.269 30.238 1.00 19.07 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 29.009 4.898 31.109 1.00 17.25 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.257 1.850 29.585 1.00 16.72 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.104 4.822 29.109 1.00 17.49 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.758 6.220 28.773 1.00 18.37 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.587 6.424 27.821 1.00 18.89 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.845 7.419 27.932 1.00 20.09 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.972 6.926 28.199 1.00 17.00 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.034 7.186 29.254 1.00 19.59 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.715 7.760 30.315 1.00 21.88 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.180 6.808 29.016 1.00 25.10 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.420 5.509 26.875 1.00 17.43 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.604 5.834 25.703 1.00 19.00 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.258 4.613 24.855 1.00 18.20 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.970 3.621 24.869 1.00 20.04 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.309 6.876 24.839 1.00 19.76 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.155 4.724 24.133 1.00 16.50 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.759 3.769 23.100 1.00 20.16 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.729 4.473 22.211 1.00 20.85 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.144 5.505 22.604 1.00 22.55 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.224 2.456 23.710 1.00 18.71 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.807 2.374 24.350 1.00 20.25 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.339 0.883 24.446 1.00 19.69 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.759 3.022 25.728 1.00 21.96 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.527 3.933 21.015 1.00 19.23 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.584 4.457 20.039 1.00 19.61 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.285 3.667 20.251 1.00 20.97 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.325 2.442 20.353 1.00 21.61 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.207 4.217 18.653 1.00 22.49 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.392 4.781 17.502 1.00 22.57 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.878 5.889 17.556 1.00 22.68 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.304 4.015 16.434 1.00 19.53 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.150 4.368 20.347 1.00 18.82 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.862 3.780 20.708 1.00 20.18 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.741 4.121 19.733 1.00 20.26 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.647 5.241 19.238 1.00 19.87 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.394 4.282 22.084 1.00 21.99 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.177 3.908 23.334 1.00 19.46 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.431 4.476 24.527 1.00 24.83 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.230 2.414 23.440 1.00 16.99 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.881 3.144 19.475 1.00 17.62 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.614 3.408 18.800 1.00 17.44 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.735 4.345 19.661 1.00 18.63 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.839 4.365 20.887 1.00 16.76 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.902 2.076 18.564 1.00 15.74 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.466 2.259 18.171 1.00 13.45 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.190 2.559 17.002 1.00 18.71 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.615 2.124 19.055 1.00 19.07 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.865 5.109 19.019 1.00 16.24 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.988 6.039 19.728 1.00 16.97 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.213 5.468 20.920 1.00 17.06 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 13.071 6.152 21.912 1.00 18.81 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.707 4.235 20.832 1.00 17.39 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.966 3.635 21.981 1.00 17.69 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.831 3.503 23.225 1.00 20.66 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.364 3.676 24.370 1.00 20.75 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.111 3.195 23.018 1.00 21.22 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 15.029 3.086 24.151 1.00 23.72 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.486 4.463 24.645 1.00 25.20 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.834 4.621 25.815 1.00 25.55 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.255 2.268 23.803 1.00 24.98 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 16.039 0.808 23.440 1.00 27.29 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.340 -0.070 24.285 1.00 27.63 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.616 0.293 22.282 1.00 27.53 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.183 -1.425 23.943 1.00 27.69 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.496 -1.039 21.944 1.00 30.01 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.779 -1.897 22.766 1.00 29.12 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.692 -3.217 22.368 1.00 32.02 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.487 5.453 23.756 1.00 23.28 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.845 6.804 24.163 1.00 22.55 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.823 7.311 25.181 1.00 22.17 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.157 8.054 26.128 1.00 23.97 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.960 7.771 22.922 1.00 22.55 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.152 7.388 22.048 1.00 18.07 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.015 9.264 23.348 1.00 21.17 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.181 8.160 20.707 1.00 21.09 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.571 6.892 25.008 1.00 22.98 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.516 7.241 25.962 1.00 24.86 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.794 6.627 27.360 1.00 25.56 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.729 7.331 28.372 1.00 24.34 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.143 6.845 25.404 1.00 25.39 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.975 7.037 26.339 1.00 28.85 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.224 8.212 26.332 1.00 28.27 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.624 6.040 27.242 1.00 32.86 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.147 8.384 27.203 1.00 30.66 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.557 6.205 28.119 1.00 34.27 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.822 7.376 28.086 1.00 32.49 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.763 7.518 28.957 1.00 36.25 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.114 5.331 27.405 1.00 24.41 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.561 4.655 28.638 1.00 27.58 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.755 5.350 29.310 1.00 25.87 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.742 5.648 30.511 1.00 27.66 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.927 3.163 28.356 1.00 25.25 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.759 2.482 27.910 1.00 33.84 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.474 2.433 29.608 1.00 29.89 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.785 5.595 28.522 1.00 25.01 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 17.015 6.180 29.015 1.00 23.29 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.755 7.602 29.528 1.00 23.30 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.382 8.045 30.484 1.00 25.33 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.039 6.200 27.894 1.00 22.70 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.832 8.296 28.870 1.00 25.41 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.554 9.714 29.102 1.00 24.72 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.902 9.923 30.438 1.00 25.04 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.290 10.806 31.195 1.00 24.58 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.903 9.102 30.733 1.00 26.28 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.308 9.070 32.064 1.00 28.68 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.328 8.862 33.196 1.00 29.93 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.122 9.310 34.332 1.00 30.61 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.263 7.969 32.126 1.00 31.69 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.127 8.189 31.203 1.00 34.55 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.851 7.846 31.919 1.00 45.16 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.663 8.360 31.154 1.00 45.97 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.853 9.800 30.852 1.00 48.80 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.435 8.187 32.880 1.00 28.53 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.496 7.973 33.851 1.00 26.90 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.562 9.067 33.817 1.00 24.92 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.582 8.974 34.499 1.00 23.71 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.120 6.590 33.632 1.00 24.61 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.906 5.253 33.773 1.00 32.98 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.349 10.087 32.997 1.00 24.78 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.278 11.225 32.935 1.00 24.79 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.366 11.198 31.869 1.00 24.95 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.175 12.114 31.794 1.00 29.03 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.415 10.162 31.036 1.00 23.17 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.404 10.167 29.970 1.00 21.57 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.925 11.143 28.886 1.00 21.82 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.741 11.403 28.764 1.00 22.47 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.598 8.762 29.377 1.00 19.48 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 21.010 7.656 30.355 1.00 23.57 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.552 6.475 29.544 1.00 20.73 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.037 8.181 31.339 1.00 20.63 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.849 11.691 28.122 1.00 20.51 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.512 12.697 27.129 1.00 21.88 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.021 12.305 25.749 1.00 23.17 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.030 11.604 25.638 1.00 22.59 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.057 14.118 27.506 1.00 21.62 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.539 14.524 28.868 1.00 24.72 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.576 14.157 27.472 1.00 21.34 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.325 12.764 24.698 1.00 22.90 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.808 12.588 23.322 1.00 25.04 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 22.009 13.486 23.042 1.00 23.78 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.003 14.644 23.442 1.00 23.79 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.618 13.024 22.472 1.00 26.79 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.825 13.961 23.365 1.00 26.90 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.045 13.496 24.766 1.00 23.34 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 23.015 12.964 22.336 1.00 21.54 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.279 13.667 22.134 1.00 22.35 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.526 13.993 20.646 1.00 24.48 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.784 15.138 20.285 1.00 24.61 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.429 12.813 22.722 1.00 22.15 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.770 13.384 22.382 1.00 26.37 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.247 12.684 24.243 1.00 26.66 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.422 12.975 19.795 1.00 24.16 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.561 13.107 18.347 1.00 23.58 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.588 12.114 17.729 1.00 24.24 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.301 11.063 18.341 1.00 23.65 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.983 12.759 17.898 1.00 24.22 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.151 13.646 18.318 1.00 23.28 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.462 12.932 18.010 1.00 27.39 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.120 15.023 17.651 1.00 22.84 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.075 12.446 16.544 1.00 21.81 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.121 11.591 15.848 1.00 22.93 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.664 10.921 14.580 1.00 22.59 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.458 11.508 13.838 1.00 24.13 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.845 12.359 15.545 1.00 22.98 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.220 9.689 14.309 1.00 23.15 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.503 9.103 12.999 1.00 22.37 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.915 9.998 11.903 1.00 23.46 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.762 10.415 11.978 1.00 23.75 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.916 7.687 12.831 1.00 19.24 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.541 6.637 13.671 1.00 19.16 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.040 5.245 13.332 1.00 16.99 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 21.115 5.117 12.513 1.00 21.99 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.592 4.273 13.875 1.00 16.75 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.708 10.263 10.872 1.00 24.44 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.208 10.995 9.727 1.00 28.55 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.497 10.139 8.506 1.00 30.82 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.632 9.742 8.280 1.00 31.67 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.955 12.320 9.621 1.00 27.42 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 22.049 13.507 9.324 1.00 31.80 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.517 14.648 9.296 1.00 38.87 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.763 13.258 9.118 1.00 32.42 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.480 9.802 7.740 1.00 37.19 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.728 9.080 6.486 1.00 43.68 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.712 10.056 5.309 1.00 47.02 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.465 11.252 5.486 1.00 46.51 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.702 7.969 6.282 1.00 43.19 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.305 8.477 6.331 1.00 47.21 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.284 7.432 5.963 1.00 54.90 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.989 8.074 5.737 1.00 55.49 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.262 8.640 6.695 1.00 56.20 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.691 8.636 7.954 1.00 52.42 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 15.099 9.204 6.395 1.00 56.01 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.974 9.555 4.107 1.00 54.25 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 22.007 10.437 2.933 1.00 60.64 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.637 11.016 2.551 1.00 64.20 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.603 10.367 2.698 1.00 63.96 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.697 9.775 1.733 1.00 61.54 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.442 8.293 1.552 1.00 64.60 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.518 7.668 0.652 1.00 73.39 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.744 7.149 1.445 1.00 75.87 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.516 8.199 2.178 1.00 73.67 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.640 12.256 2.086 1.00 68.91 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.419 12.869 1.597 1.00 74.40 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.677 13.643 0.312 1.00 77.72 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.817 14.023 0.010 1.00 78.98 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.831 13.791 2.658 1.00 74.23 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 19.838 14.630 3.192 1.00 75.88 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.611 13.866 -0.446 1.00 81.46 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.682 14.684 -1.649 1.00 84.72 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.370 16.154 -1.329 1.00 86.95 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.638 17.051 -2.137 1.00 87.54 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.732 14.128 -2.712 1.00 84.81 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.694 13.371 -2.110 1.00 84.46 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.814 16.384 -0.138 1.00 89.13 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.528 17.729 0.366 1.00 80.79 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.577 18.127 1.414 1.00 81.66 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.162 17.260 2.074 1.00 82.34 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 16.120 17.769 0.967 1.00 80.95 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.444 19.132 0.926 1.00 82.98 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 15.630 19.921 2.221 1.00 85.16 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 14.914 21.270 2.143 1.00 85.38 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 15.055 22.060 3.398 1.00 86.08 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.816 19.432 1.562 1.00 82.32 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.868 19.948 2.458 1.00 82.51 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.261 19.452 2.062 1.00 81.23 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 22.202 19.533 2.856 1.00 81.34 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.592 19.586 3.925 1.00 83.27 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.534 20.425 4.574 1.00 86.47 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.433 19.879 5.202 1.00 89.08 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 18.408 21.769 4.693 1.00 89.33 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.676 20.851 5.681 1.00 80.83 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 17.244 22.008 5.384 1.00 81.28 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.376 18.946 0.832 1.00 89.40 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.625 18.383 0.303 1.00 86.86 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.797 19.366 0.379 1.00 84.69 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.952 18.961 0.517 1.00 85.01 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.418 17.926 -1.145 1.00 87.12 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.810 18.954 -1.915 1.00 86.67 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.482 20.655 0.286 1.00 81.50 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.473 21.729 0.385 1.00 78.26 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.205 21.739 1.738 1.00 74.96 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.434 21.889 1.796 1.00 74.44 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.791 23.080 0.131 1.00 79.39 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.461 23.078 0.642 1.00 80.50 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.440 21.578 2.817 1.00 70.02 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.988 21.517 4.170 1.00 64.64 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.815 20.253 4.441 1.00 59.85 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.501 19.158 3.952 1.00 58.52 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.859 21.619 5.192 1.00 65.67 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.476 23.017 5.668 1.00 68.25 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 22.111 22.988 6.350 1.00 69.48 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 24.552 23.572 6.604 1.00 67.37 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.871 20.410 5.234 1.00 53.93 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.688 19.271 5.624 1.00 48.42 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.854 18.292 6.436 1.00 42.36 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.937 18.700 7.136 1.00 38.84 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.891 19.708 6.438 1.00 49.73 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.941 18.623 6.523 1.00 55.46 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.599 18.364 5.488 1.00 62.03 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.087 18.012 7.607 1.00 56.89 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.167 17.002 6.326 1.00 38.33 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.408 15.971 7.047 1.00 36.08 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.267 16.252 8.561 1.00 36.12 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.183 16.114 9.115 1.00 36.22 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.996 14.579 6.803 1.00 35.42 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.981 13.249 7.565 1.00 33.21 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.348 16.687 9.208 1.00 35.75 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.355 16.860 10.654 1.00 38.01 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.445 17.993 11.124 1.00 39.82 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.992 18.007 12.282 1.00 35.81 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.784 17.079 11.199 1.00 39.68 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.746 17.317 12.706 1.00 42.17 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.661 15.892 10.888 1.00 41.14 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.194 18.940 10.219 1.00 40.48 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.368 20.105 10.509 1.00 42.80 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.951 19.985 9.933 1.00 42.49 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.053 20.728 10.321 1.00 44.10 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 26.032 21.375 9.955 1.00 43.45 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.357 21.831 10.574 1.00 44.22 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.917 22.982 9.769 1.00 43.62 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.159 22.245 12.034 1.00 46.29 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.764 19.057 9.001 1.00 43.37 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.454 18.813 8.385 1.00 43.16 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.414 18.327 9.406 1.00 41.55 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.706 17.480 10.253 1.00 41.73 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.610 17.790 7.256 1.00 42.89 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.431 17.695 6.279 1.00 45.85 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.516 16.390 5.471 1.00 46.46 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.817 16.242 4.823 1.00 50.55 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.469 15.093 4.686 1.00 49.28 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.956 13.964 5.162 1.00 55.44 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.647 15.076 4.073 1.00 49.83 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.193 18.888 9.349 1.00 41.68 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.110 18.381 10.194 1.00 39.72 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.763 16.940 9.806 1.00 39.03 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.901 16.564 8.641 1.00 37.24 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.922 19.297 9.857 1.00 40.03 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.514 20.504 9.189 1.00 39.81 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.765 20.017 8.499 1.00 42.65 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.306 16.153 10.779 1.00 37.32 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.894 14.781 10.523 1.00 35.38 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.473 14.748 9.946 1.00 35.71 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.650 15.639 10.220 1.00 32.00 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.947 13.933 11.809 1.00 34.30 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.159 14.564 12.824 1.00 37.14 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.385 13.787 12.302 1.00 31.56 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.188 13.719 9.151 1.00 35.26 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.872 13.602 8.540 1.00 37.74 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.928 12.599 9.223 1.00 36.74 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.714 12.819 9.305 1.00 39.91 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.012 13.342 7.038 1.00 37.35 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.577 14.568 6.327 1.00 46.06 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.851 14.338 4.862 1.00 51.25 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.936 13.880 4.154 1.00 54.93 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.981 14.626 4.425 1.00 57.05 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.463 11.516 9.742 1.00 34.54 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.599 10.536 10.416 1.00 31.72 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.354 9.398 9.447 1.00 30.82 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.464 9.555 8.231 1.00 33.20 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 13.041 8.229 9.951 1.00 27.19 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.855 7.164 9.015 1.00 23.15 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.380 6.774 8.965 1.00 22.36 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.600 7.139 9.860 1.00 21.87 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.802 5.998 9.330 1.00 21.34 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.769 5.455 10.749 1.00 19.13 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.927 4.418 11.092 1.00 22.54 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.627 5.954 11.715 1.00 14.89 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.920 3.892 12.374 1.00 20.79 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.649 5.444 12.996 1.00 19.96 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.774 4.418 13.319 1.00 17.06 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.776 3.908 14.570 1.00 18.12 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.990 6.024 7.936 1.00 20.42 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.599 5.661 7.815 1.00 20.88 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.344 4.265 8.372 1.00 21.46 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.896 3.305 7.873 1.00 21.88 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.162 5.715 6.371 1.00 22.27 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.265 7.055 5.649 1.00 28.01 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.709 6.885 4.244 1.00 26.78 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.529 8.170 6.415 1.00 29.83 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.485 4.164 9.377 1.00 17.46 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.037 2.870 9.869 1.00 21.19 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.019 2.275 8.910 1.00 20.89 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.017 2.918 8.604 1.00 23.25 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.442 3.008 11.284 1.00 17.37 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.277 1.057 8.433 1.00 21.20 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.379 0.362 7.491 1.00 20.10 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.964 -1.043 7.986 1.00 23.76 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.615 -1.650 8.873 1.00 21.76 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.989 0.259 6.065 1.00 22.98 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.205 1.670 5.468 1.00 21.43 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.313 -0.520 6.064 1.00 17.20 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.852 -1.540 7.452 1.00 19.92 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.479 -2.945 7.647 1.00 19.33 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.584 -3.625 6.287 1.00 19.97 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.994 -3.150 5.312 1.00 19.18 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.073 -3.053 8.196 1.00 19.57 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.359 -4.711 6.220 1.00 17.87 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.729 -5.334 4.949 1.00 21.70 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.187 -6.775 4.893 1.00 22.99 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.287 -7.527 5.866 1.00 21.39 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.268 -5.339 4.770 1.00 20.15 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.689 -5.763 3.326 1.00 20.74 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.843 -3.969 5.126 1.00 25.44 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.572 -7.131 3.764 1.00 24.65 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.093 -8.490 3.534 1.00 23.78 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.613 -8.995 2.184 1.00 26.77 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.179 -8.240 1.395 1.00 25.13 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.531 -8.583 3.573 1.00 26.30 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.992 -8.086 4.905 1.00 22.47 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.873 -7.792 2.378 1.00 17.99 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.417 -10.284 1.932 1.00 26.52 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.709 -10.848 0.635 1.00 27.56 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.558 -10.562 -0.319 1.00 26.09 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.387 -10.698 0.051 1.00 28.35 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.905 -12.360 0.769 1.00 30.10 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.303 -12.861 0.413 1.00 35.44 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.349 -12.542 1.429 1.00 33.52 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.622 -13.320 1.117 1.00 32.24 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.494 -14.813 1.285 1.00 28.59 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.882 -10.132 -1.532 1.00 27.42 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.869 -9.957 -2.574 1.00 29.74 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.977 -11.212 -2.744 1.00 28.80 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.751 -11.095 -2.904 1.00 27.61 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.534 -9.583 -3.890 1.00 29.83 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.579 -9.265 -5.028 1.00 35.36 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.332 -9.381 -6.354 1.00 44.42 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.448 -9.013 -7.541 1.00 52.70 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.172 -9.211 -8.834 1.00 54.75 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.590 -12.393 -2.670 1.00 28.18 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.894 -13.692 -2.806 1.00 29.14 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.830 -13.934 -1.747 1.00 31.88 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.112 -14.704 -1.969 1.00 33.86 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.895 -14.818 -2.774 1.00 28.92 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.982 -13.283 -0.592 1.00 31.14 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.001 -13.364 0.485 1.00 31.32 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.108 -12.372 0.153 1.00 31.49 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.195 -11.288 0.740 1.00 29.35 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.678 -13.008 1.812 1.00 32.31 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.092 -13.726 2.998 1.00 37.37 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.114 -13.999 3.066 1.00 38.01 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.943 -14.001 3.976 1.00 35.23 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.952 -12.749 -0.806 1.00 31.26 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -2.965 -11.855 -1.342 1.00 31.48 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.116 -11.609 -0.377 1.00 33.97 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.488 -12.475 0.439 1.00 35.72 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.488 -12.403 -2.668 1.00 31.48 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.410 -12.515 -3.700 1.00 30.81 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -2.850 -13.251 -4.937 1.00 34.33 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -1.968 -13.698 -5.701 1.00 35.69 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.065 -13.393 -5.146 1.00 34.41 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.695 -10.423 -0.460 1.00 33.10 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.794 -10.110 0.441 1.00 37.29 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.441 -9.977 1.925 1.00 38.07 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.340 -9.823 2.773 1.00 39.25 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.152 -10.058 2.257 1.00 34.90 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.699 -9.673 3.590 1.00 32.77 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.568 -8.145 3.593 1.00 31.87 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.785 -7.590 2.823 1.00 32.83 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.359 -10.322 3.922 1.00 33.47 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.700 -9.989 5.265 1.00 35.59 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.721 -10.043 6.398 1.00 33.68 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.552 -10.946 5.524 1.00 32.21 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.361 -7.474 4.425 1.00 29.03 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.300 -6.024 4.511 1.00 28.08 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.128 -5.621 5.973 1.00 25.77 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.148 -6.476 6.841 1.00 26.28 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.587 -5.376 3.947 1.00 26.27 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.677 -5.656 4.831 1.00 28.30 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.902 -5.915 2.538 1.00 30.99 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -3.971 -4.332 6.245 1.00 26.80 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -3.978 -3.826 7.633 1.00 27.08 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.174 -4.316 8.450 1.00 30.26 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.048 -4.616 9.657 1.00 31.74 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.964 -2.294 7.661 1.00 28.42 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.874 -1.773 9.068 1.00 32.47 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.887 -1.235 9.830 1.00 31.00 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.712 -1.795 9.904 1.00 31.07 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.412 -0.914 11.089 1.00 31.21 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.080 -1.243 11.156 1.00 36.13 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.395 -2.215 9.715 1.00 28.70 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.163 -1.105 12.210 1.00 33.43 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.491 -2.073 10.763 1.00 31.06 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.878 -1.527 11.986 1.00 29.63 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.346 -4.383 7.819 1.00 32.32 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.574 -4.765 8.540 1.00 32.98 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.808 -6.261 8.673 1.00 32.32 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.822 -6.662 9.221 1.00 36.77 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.819 -4.139 7.907 1.00 36.19 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.669 -2.655 7.652 1.00 36.30 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.472 -1.861 8.576 1.00 37.94 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -8.758 -2.271 6.387 1.00 42.87 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.899 -7.091 8.175 1.00 32.09 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.017 -8.548 8.374 1.00 31.57 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.804 -9.160 9.086 1.00 31.47 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.527 -10.356 8.928 1.00 32.26 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.295 -9.285 7.052 1.00 28.39 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.306 -9.027 6.073 1.00 34.02 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.099 -8.344 9.874 1.00 29.28 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.872 -8.783 10.547 1.00 29.17 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.122 -9.669 11.768 1.00 29.52 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.263 -10.474 12.136 1.00 27.97 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -2.999 -7.588 10.956 1.00 28.63 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.097 -6.954 9.880 1.00 32.34 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.275 -5.821 10.475 1.00 33.59 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.190 -7.954 9.212 1.00 31.62 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.285 -9.520 12.402 1.00 28.09 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.592 -10.337 13.562 1.00 30.52 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.409 -11.838 13.307 1.00 30.11 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.827 -12.347 12.266 1.00 25.52 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.020 -10.063 14.086 1.00 33.44 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.099 -10.261 15.587 1.00 38.14 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.477 -10.662 16.070 1.00 52.20 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.429 -11.028 17.563 1.00 55.92 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.346 -12.012 17.881 1.00 55.98 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.801 -12.524 14.286 1.00 28.43 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.492 -13.954 14.226 1.00 29.91 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.516 -14.326 13.117 1.00 28.57 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.369 -15.500 12.816 1.00 29.09 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.746 -14.828 14.040 1.00 33.40 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.731 -14.704 15.157 1.00 35.62 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.893 -15.074 14.919 1.00 46.48 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.372 -14.256 16.263 1.00 41.97 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.846 -13.351 12.512 1.00 25.40 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.738 -13.680 11.631 1.00 25.72 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.415 -13.722 12.428 1.00 24.81 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.396 -13.432 13.631 1.00 25.97 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.613 -12.642 10.491 1.00 25.48 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.887 -12.547 9.577 1.00 30.49 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.149 -13.884 8.857 1.00 30.03 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.479 -13.911 8.058 1.00 34.62 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.636 -13.296 8.788 1.00 38.97 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.667 -14.065 11.736 1.00 23.24 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.992 -14.235 12.312 1.00 24.73 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.905 -13.036 12.089 1.00 24.35 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 3.070 -12.580 10.960 1.00 23.81 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.639 -15.500 11.709 1.00 22.01 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.983 -16.806 12.140 1.00 23.67 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.679 -18.032 11.502 1.00 28.21 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.275 -18.238 10.068 1.00 42.90 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.225 -19.153 9.377 1.00 48.43 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.543 -12.542 13.156 1.00 24.03 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.259 -11.274 13.036 1.00 21.61 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.752 -11.327 13.352 1.00 22.54 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.199 -12.119 14.171 1.00 21.28 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.569 -10.178 13.873 1.00 19.96 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.571 -10.482 15.256 1.00 22.86 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.506 -10.425 12.720 1.00 20.77 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.952 -10.305 12.919 1.00 19.90 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.290 -8.878 13.355 1.00 20.69 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 8.068 -7.936 12.601 1.00 20.39 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.694 -10.599 11.614 1.00 21.57 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.299 -12.186 10.832 1.00 22.07 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.825 -8.732 14.565 1.00 18.69 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.113 -7.417 15.178 1.00 19.07 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.618 -7.309 15.435 1.00 19.24 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.260 -8.318 15.723 1.00 17.68 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.416 -7.341 16.528 1.00 18.73 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.942 -7.577 16.455 1.00 19.08 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 6.030 -6.546 16.453 1.00 19.89 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.221 -8.720 16.335 1.00 18.27 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.806 -7.046 16.367 1.00 22.18 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.895 -8.360 16.287 1.00 18.89 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.180 -6.106 15.348 1.00 17.70 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.625 -5.944 15.577 1.00 18.43 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 13.020 -6.346 17.005 1.00 17.29 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.996 -7.076 17.208 1.00 15.62 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 13.082 -4.489 15.298 1.00 16.32 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.291 -3.597 16.104 1.00 17.87 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.865 -4.157 13.848 1.00 20.03 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.272 -5.825 17.975 1.00 18.31 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.404 -6.146 19.413 1.00 20.62 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.324 -5.381 20.123 1.00 22.72 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.866 -4.337 19.636 1.00 22.84 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.769 -5.748 19.971 1.00 18.68 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.894 -5.909 21.264 1.00 22.37 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 10.020 -5.161 22.168 1.00 20.70 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.668 -3.804 22.478 1.00 22.07 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.909 -3.680 22.571 1.00 20.10 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.773 -5.978 23.467 1.00 22.71 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 9.136 -5.115 24.582 1.00 26.54 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.914 -7.187 23.151 1.00 19.27 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.823 -2.787 22.591 1.00 20.85 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.224 -1.437 22.998 1.00 23.70 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.857 -0.571 21.939 1.00 21.02 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.171 0.583 22.225 1.00 18.72 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 11.113 -1.438 24.234 1.00 24.14 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.323 -1.627 25.509 1.00 29.31 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 9.064 -1.565 25.477 1.00 29.20 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.978 -1.853 26.546 1.00 34.60 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 11.018 -1.111 20.729 1.00 20.39 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.621 -0.366 19.616 1.00 18.44 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.567 0.370 18.786 1.00 17.43 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.414 -0.032 18.738 1.00 19.36 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.515 -1.299 18.765 1.00 17.91 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.740 -1.791 19.541 1.00 18.70 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.739 -2.629 18.741 1.00 20.11 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.158 -1.974 17.493 1.00 23.03 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.209 -2.337 16.770 1.00 29.11 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.982 -3.346 17.181 1.00 28.14 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.486 -1.691 15.647 1.00 28.55 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.957 1.439 18.111 1.00 17.52 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.976 2.269 17.397 1.00 17.41 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.142 1.596 16.288 1.00 16.12 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.910 1.493 16.392 1.00 16.07 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.680 3.522 16.821 1.00 16.88 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.318 4.218 17.907 1.00 16.42 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.679 4.463 16.165 1.00 12.93 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.802 1.201 15.205 1.00 15.96 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.119 0.649 14.053 1.00 16.60 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.682 -0.766 14.362 1.00 17.07 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.659 -1.230 13.869 1.00 17.16 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.046 0.676 12.812 1.00 17.21 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.444 -1.463 15.194 1.00 17.03 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.181 -2.874 15.393 1.00 17.24 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.071 -3.121 16.389 1.00 20.43 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.397 -4.153 16.346 1.00 20.50 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.864 -2.159 17.278 1.00 19.68 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.959 -2.398 18.398 1.00 19.32 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 6.053 -1.218 18.753 1.00 18.59 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.832 -1.331 18.689 1.00 19.78 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.766 -2.835 19.642 1.00 20.04 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.886 -3.306 20.776 1.00 19.29 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.501 -2.572 21.842 1.00 20.97 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.278 -4.599 20.933 1.00 20.79 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.687 -3.305 22.658 1.00 18.29 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.528 -4.556 22.135 1.00 22.74 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.292 -5.791 20.177 1.00 21.87 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.809 -5.668 22.629 1.00 23.27 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.562 -6.900 20.651 1.00 21.11 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.827 -6.823 21.868 1.00 25.31 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.643 -0.105 19.171 1.00 17.84 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.855 0.978 19.729 1.00 20.91 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.829 1.530 18.764 1.00 21.24 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.719 1.810 19.169 1.00 21.14 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.736 2.114 20.206 1.00 20.53 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.525 1.748 21.425 1.00 18.00 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.208 0.780 22.092 1.00 22.09 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.584 2.506 21.711 1.00 20.62 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.207 1.683 17.497 1.00 22.15 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.306 2.299 16.530 1.00 22.31 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.200 1.297 16.198 1.00 24.53 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 2.033 1.592 16.388 1.00 24.73 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 5.040 2.781 15.260 1.00 18.31 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.821 4.092 15.492 1.00 25.88 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 4.089 2.921 14.079 1.00 25.91 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.070 5.211 16.216 1.00 24.86 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.570 0.092 15.733 1.00 25.24 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.500 -0.827 15.319 1.00 25.20 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.605 -1.308 16.459 1.00 24.98 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.387 -1.400 16.277 1.00 23.65 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.258 -1.990 14.656 1.00 25.48 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.627 -1.946 15.202 1.00 24.65 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.914 -0.482 15.531 1.00 24.80 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.178 -1.611 17.629 1.00 23.57 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.360 -2.046 18.757 1.00 23.19 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.518 -0.915 19.356 1.00 24.17 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.560 -1.162 19.893 1.00 23.91 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.203 -2.730 19.852 1.00 23.52 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.867 -4.022 19.399 1.00 28.67 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.716 -5.234 18.712 1.00 33.64 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.832 -4.877 16.994 1.00 41.08 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 1.019 0.312 19.270 1.00 24.51 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.286 1.466 19.756 1.00 25.50 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.960 1.679 18.915 1.00 26.90 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.038 1.938 19.455 1.00 26.71 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.801 1.570 17.593 1.00 24.95 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.932 1.630 16.669 1.00 29.17 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.922 0.492 16.908 1.00 29.85 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.130 0.703 16.911 1.00 29.30 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.469 1.606 15.201 1.00 24.77 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.673 2.805 14.678 1.00 28.47 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? 0.084 2.441 13.383 1.00 22.05 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.570 4.025 14.474 1.00 29.11 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.406 -0.714 17.085 1.00 30.14 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.269 -1.855 17.332 1.00 32.41 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.042 -1.734 18.641 1.00 34.26 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.225 -2.049 18.679 1.00 36.63 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.500 -3.204 17.259 1.00 31.93 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.246 -3.571 15.796 1.00 32.67 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.294 -4.308 17.939 1.00 31.66 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -0.949 -4.346 15.541 1.00 27.62 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.398 -1.281 19.714 1.00 36.08 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.123 -1.043 20.968 1.00 36.79 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.257 -0.009 20.760 1.00 39.27 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.416 -0.248 21.130 1.00 39.49 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.167 -0.604 22.133 1.00 35.49 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.946 0.045 23.263 1.00 35.65 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.373 -1.792 22.662 1.00 34.93 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.923 1.127 20.154 1.00 39.72 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.905 2.176 19.929 1.00 40.58 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.072 1.646 19.130 1.00 42.12 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.236 1.854 19.494 1.00 40.31 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.294 3.344 19.167 1.00 40.80 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.500 4.268 20.051 1.00 37.15 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.304 4.014 21.244 1.00 33.81 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.023 5.350 19.467 1.00 39.60 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.753 0.961 18.035 1.00 42.17 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.772 0.408 17.155 1.00 42.09 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.655 -0.663 17.801 1.00 42.08 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.866 -0.683 17.584 1.00 43.27 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.143 -0.088 15.854 1.00 40.98 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.806 1.061 14.926 1.00 45.31 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -5.958 0.642 13.743 1.00 52.62 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.797 -0.553 13.462 1.00 54.15 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.402 1.629 13.042 1.00 51.45 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.073 -1.547 18.594 1.00 41.58 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.866 -2.609 19.214 1.00 41.80 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.469 -2.232 20.572 1.00 43.60 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.197 -3.029 21.162 1.00 43.65 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.050 -3.914 19.407 1.00 42.00 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.036 -3.706 20.401 1.00 40.80 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.423 -4.366 18.092 1.00 39.64 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.162 -1.034 21.068 1.00 43.63 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.539 -0.646 22.425 1.00 44.86 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.221 -1.702 23.475 1.00 46.79 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.013 -1.939 24.388 1.00 48.93 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.062 -2.344 23.358 1.00 46.10 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.669 -3.376 24.311 1.00 45.62 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.153 -3.357 24.564 1.00 45.88 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.378 -3.035 23.673 1.00 44.75 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.109 -4.762 23.812 1.00 45.98 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.501 -5.799 24.573 1.00 44.42 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.740 -3.720 25.775 1.00 45.33 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.324 -3.806 26.096 1.00 45.39 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.806 -5.208 25.889 1.00 44.43 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.666 -5.522 26.251 1.00 45.05 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.079 -3.383 27.540 1.00 45.79 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.121 -1.628 27.739 1.00 46.95 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.649 -6.054 25.314 1.00 44.39 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.314 -7.454 25.121 1.00 44.88 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.546 -7.677 23.811 1.00 45.28 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.837 -8.606 23.051 1.00 43.88 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.582 -8.306 25.174 1.00 45.71 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.561 -6.817 23.557 1.00 45.74 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.771 -6.879 22.327 1.00 45.83 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.952 -8.172 22.231 1.00 45.77 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.425 -8.498 21.167 1.00 47.18 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.843 -5.660 22.215 1.00 45.75 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.145 -5.552 23.346 1.00 43.24 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.122 -4.460 24.207 1.00 43.23 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.075 -6.552 23.559 1.00 38.92 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 1.020 -4.365 25.246 1.00 40.70 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.964 -6.476 24.591 1.00 36.91 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.937 -5.375 25.447 1.00 45.66 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.845 -8.902 23.337 1.00 44.26 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.184 -10.212 23.336 1.00 43.84 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.108 -11.322 22.839 1.00 43.14 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.718 -12.496 22.776 1.00 42.68 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.310 -10.560 24.745 1.00 45.85 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -0.822 -10.640 25.761 1.00 48.09 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.649 -9.697 25.817 1.00 45.69 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -0.878 -11.647 26.504 1.00 54.24 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.345 -10.960 22.514 1.00 41.64 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.317 -11.932 22.022 1.00 41.72 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.768 -11.637 20.593 1.00 38.92 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.533 -12.392 19.995 1.00 40.26 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.510 -12.007 22.975 1.00 41.91 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.432 -13.222 23.893 1.00 52.32 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.116 -13.016 25.237 1.00 58.99 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.643 -13.618 26.222 1.00 61.88 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.109 -12.255 25.315 1.00 63.09 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.274 -10.535 20.050 1.00 35.01 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.609 -10.122 18.701 1.00 32.95 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.052 -11.014 17.583 1.00 31.16 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.805 -11.458 16.704 1.00 31.48 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.190 -8.683 18.494 1.00 30.79 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.714 -8.091 17.235 1.00 35.15 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.034 -7.635 17.169 1.00 32.75 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -2.896 -7.989 16.105 1.00 30.21 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.525 -7.080 16.003 1.00 34.31 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.373 -7.444 14.947 1.00 33.73 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.699 -6.973 14.890 1.00 33.98 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.748 -11.277 17.588 1.00 28.62 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.185 -12.190 16.588 1.00 28.15 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.222 -13.624 17.104 1.00 27.65 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.098 -13.854 18.297 1.00 30.77 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.227 -11.778 16.181 1.00 26.74 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.290 -10.435 15.496 1.00 27.49 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.154 -10.289 14.179 1.00 26.61 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.790 -9.322 16.167 1.00 26.39 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.103 -9.058 13.543 1.00 27.90 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.864 -8.093 15.539 1.00 26.22 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.406 -7.958 14.225 1.00 27.80 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.414 -14.593 16.218 1.00 28.42 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.408 -15.979 16.668 1.00 29.71 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.048 -16.337 17.258 1.00 29.22 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? 0.024 -16.902 18.340 1.00 28.72 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.810 -16.957 15.563 1.00 29.01 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.035 -16.777 14.398 1.00 31.35 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 1.016 -15.960 16.543 1.00 28.67 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.390 -16.244 16.929 1.00 26.48 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.278 -15.102 16.432 1.00 24.86 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 3.002 -14.529 15.389 1.00 26.95 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.846 -17.532 16.258 1.00 27.45 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.314 -18.776 16.888 1.00 30.44 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.858 -20.013 16.241 1.00 34.31 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 3.371 -20.911 16.915 1.00 41.14 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.763 -20.075 14.919 1.00 42.00 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.347 -14.792 17.153 1.00 24.15 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.280 -13.728 16.738 1.00 23.05 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.710 -14.080 17.050 1.00 22.22 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.982 -15.030 17.786 1.00 19.29 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.948 -12.412 17.466 1.00 23.29 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.571 -12.105 17.367 1.00 26.81 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.633 -13.312 16.473 1.00 20.86 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.945 -13.184 17.038 1.00 18.53 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.110 -11.728 17.430 1.00 17.42 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.163 -10.849 16.580 1.00 17.10 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 10.056 -13.645 16.068 1.00 20.61 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.726 -13.403 16.772 1.00 22.17 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.151 -11.488 18.734 1.00 19.26 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.312 -10.144 19.306 1.00 19.94 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.419 -10.262 20.370 1.00 19.25 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 10.144 -10.517 21.538 1.00 19.81 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.953 -9.641 19.920 1.00 17.20 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.694 -10.145 19.949 1.00 18.74 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.790 -10.312 20.903 1.00 20.52 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.591 -9.454 22.171 1.00 22.53 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.166 -8.291 22.086 1.00 22.79 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 14.039 -9.915 20.084 1.00 20.43 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.643 -10.283 18.660 1.00 19.55 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.172 -9.928 18.569 1.00 17.43 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.838 -10.036 23.339 1.00 20.75 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.603 -9.288 24.565 1.00 21.80 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.318 -9.664 25.297 1.00 22.15 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.141 -9.283 26.433 1.00 22.84 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.419 -10.409 24.660 1.00 21.93 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.211 -10.898 25.346 1.00 19.44 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.504 -12.232 26.055 1.00 20.60 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.597 -12.777 25.928 1.00 24.21 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.043 -11.061 24.341 1.00 17.55 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.529 -12.758 26.776 1.00 20.63 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.705 -14.030 27.502 1.00 24.03 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.937 -15.186 26.518 1.00 22.98 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.094 -15.471 25.670 1.00 22.60 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.489 -14.273 28.419 1.00 23.12 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.591 -15.573 29.250 1.00 25.98 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.631 -16.269 29.230 1.00 25.83 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.596 -15.904 29.919 1.00 30.42 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.110 -15.832 26.602 1.00 26.00 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.434 -16.927 25.687 1.00 26.52 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.389 -18.055 25.618 1.00 28.15 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.298 -18.727 24.580 1.00 27.89 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.769 -17.446 26.223 1.00 27.12 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.357 -16.325 26.903 1.00 28.74 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.210 -15.575 27.548 1.00 25.31 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.627 -18.251 26.700 1.00 29.16 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.576 -19.279 26.763 1.00 32.43 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.290 -18.779 26.126 1.00 30.52 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.374 -19.563 25.905 1.00 30.38 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.201 -19.663 28.214 1.00 32.83 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.321 -20.005 29.164 1.00 39.83 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 7.755 -20.372 30.553 1.00 36.93 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.980 -19.210 31.211 1.00 39.53 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.885 -18.113 31.667 1.00 37.15 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.205 -17.479 25.840 1.00 28.28 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.973 -16.920 25.275 1.00 25.72 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.850 -17.018 23.753 1.00 26.32 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.827 -17.209 23.036 1.00 23.52 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.789 -15.475 25.715 1.00 25.46 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.675 -14.621 25.025 1.00 27.23 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.626 -16.862 23.262 1.00 26.20 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.394 -16.832 21.823 1.00 26.74 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.159 -15.705 21.109 1.00 24.70 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.434 -15.800 19.908 1.00 22.79 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.901 -16.693 21.556 1.00 28.62 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.359 -15.402 22.111 1.00 35.02 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? 0.007 -15.619 22.760 1.00 51.62 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.090 -15.179 21.908 1.00 51.12 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.034 -15.985 21.448 1.00 53.26 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -1.994 -17.278 21.750 1.00 56.76 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.010 -15.498 20.691 1.00 50.37 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.496 -14.647 21.843 1.00 23.26 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.337 -13.566 21.298 1.00 24.04 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.779 -13.962 20.966 1.00 21.38 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.464 -13.227 20.305 1.00 22.59 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.334 -12.374 22.256 1.00 26.19 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 4.006 -11.598 22.214 1.00 26.22 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.891 -10.640 23.409 1.00 27.14 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.860 -10.837 20.871 1.00 24.41 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.234 -15.118 21.443 1.00 20.88 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.556 -15.622 21.110 1.00 20.82 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.530 -16.911 20.306 1.00 21.96 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.593 -17.457 19.960 1.00 22.63 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.389 -15.847 22.382 1.00 18.57 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.940 -14.323 23.168 1.00 21.26 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.328 -17.393 20.002 1.00 22.36 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 7.160 -18.732 19.397 1.00 25.45 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.900 -18.858 18.083 1.00 24.89 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.454 -19.908 17.745 1.00 28.51 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.666 -19.057 19.219 1.00 24.94 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.949 -17.764 17.339 1.00 25.23 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.570 -17.766 16.017 1.00 21.45 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.076 -17.471 16.030 1.00 21.29 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.755 -17.661 15.004 1.00 22.79 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.824 -16.753 15.132 1.00 23.00 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.710 -17.239 14.202 1.00 22.79 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 6.040 -18.574 14.605 1.00 25.31 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.727 -16.130 13.819 1.00 21.26 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.611 -16.988 17.169 1.00 19.58 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 12.059 -16.671 17.265 1.00 19.20 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.894 -17.953 17.246 1.00 21.37 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.433 -18.999 17.692 1.00 20.34 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.377 -15.885 18.539 1.00 19.96 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.623 -14.258 18.615 1.00 23.22 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.111 -17.864 16.728 1.00 20.99 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.907 -19.047 16.448 1.00 24.06 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.159 -19.210 17.323 1.00 24.65 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.721 -20.283 17.365 1.00 24.16 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.299 -19.063 14.986 1.00 22.61 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.595 -18.163 18.023 1.00 22.10 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.811 -18.278 18.792 1.00 21.81 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 19.027 -18.288 17.874 1.00 22.95 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.971 -17.830 16.725 1.00 18.72 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.131 -18.820 18.379 1.00 23.05 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.393 -18.716 17.661 1.00 26.39 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.656 -19.979 16.830 1.00 29.37 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.760 -20.791 16.641 1.00 28.65 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.542 -18.410 18.625 1.00 23.25 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.903 -19.588 19.522 1.00 24.81 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.373 -20.710 19.362 1.00 21.34 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.741 -19.402 20.406 1.00 26.30 ? 508 ASP A OD2 1 ATOM 1246 N N A ASP A 1 168 ? 22.874 -20.099 16.311 0.50 32.62 ? 509 ASP A N 1 ATOM 1247 N N B ASP A 1 168 ? 22.893 -20.136 16.368 0.50 32.54 ? 509 ASP A N 1 ATOM 1248 C CA A ASP A 1 168 ? 23.295 -21.275 15.545 0.50 37.05 ? 509 ASP A CA 1 ATOM 1249 C CA B ASP A 1 168 ? 23.298 -21.270 15.523 0.50 36.93 ? 509 ASP A CA 1 ATOM 1250 C C A ASP A 1 168 ? 22.764 -22.546 16.194 0.50 37.45 ? 509 ASP A C 1 ATOM 1251 C C B ASP A 1 168 ? 23.048 -22.634 16.166 0.50 37.37 ? 509 ASP A C 1 ATOM 1252 O O A ASP A 1 168 ? 22.129 -23.383 15.542 0.50 38.31 ? 509 ASP A O 1 ATOM 1253 O O B ASP A 1 168 ? 22.903 -23.638 15.469 0.50 39.11 ? 509 ASP A O 1 ATOM 1254 C CB A ASP A 1 168 ? 24.832 -21.351 15.482 0.50 37.46 ? 509 ASP A CB 1 ATOM 1255 C CB B ASP A 1 168 ? 24.783 -21.149 15.139 0.50 36.81 ? 509 ASP A CB 1 ATOM 1256 C CG A ASP A 1 168 ? 25.433 -20.452 14.413 0.50 41.68 ? 509 ASP A CG 1 ATOM 1257 C CG B ASP A 1 168 ? 25.720 -21.523 16.282 0.50 41.39 ? 509 ASP A CG 1 ATOM 1258 O OD1 A ASP A 1 168 ? 24.730 -20.151 13.420 0.50 45.18 ? 509 ASP A OD1 1 ATOM 1259 O OD1 B ASP A 1 168 ? 26.136 -22.703 16.352 0.50 47.37 ? 509 ASP A OD1 1 ATOM 1260 O OD2 A ASP A 1 168 ? 26.622 -20.060 14.559 0.50 44.54 ? 509 ASP A OD2 1 ATOM 1261 O OD2 B ASP A 1 168 ? 26.037 -20.643 17.113 0.50 43.28 ? 509 ASP A OD2 1 ATOM 1262 N N . GLN A 1 169 ? 23.012 -22.670 17.495 1.00 38.42 ? 510 GLN A N 1 ATOM 1263 C CA . GLN A 1 169 ? 22.695 -23.896 18.222 1.00 38.63 ? 510 GLN A CA 1 ATOM 1264 C C . GLN A 1 169 ? 21.304 -23.927 18.809 1.00 37.17 ? 510 GLN A C 1 ATOM 1265 O O . GLN A 1 169 ? 20.986 -24.844 19.579 1.00 36.49 ? 510 GLN A O 1 ATOM 1266 C CB . GLN A 1 169 ? 23.649 -24.086 19.395 1.00 39.88 ? 510 GLN A CB 1 ATOM 1267 C CG . GLN A 1 169 ? 25.114 -24.085 19.073 1.00 47.13 ? 510 GLN A CG 1 ATOM 1268 C CD . GLN A 1 169 ? 25.890 -24.752 20.187 1.00 56.45 ? 510 GLN A CD 1 ATOM 1269 O OE1 . GLN A 1 169 ? 25.591 -25.893 20.569 1.00 56.55 ? 510 GLN A OE1 1 ATOM 1270 N NE2 . GLN A 1 169 ? 26.876 -24.040 20.736 1.00 60.26 ? 510 GLN A NE2 1 ATOM 1271 N N . GLY A 1 170 ? 20.488 -22.925 18.499 1.00 36.74 ? 511 GLY A N 1 ATOM 1272 C CA . GLY A 1 170 ? 19.157 -22.840 19.096 1.00 33.29 ? 511 GLY A CA 1 ATOM 1273 C C . GLY A 1 170 ? 19.131 -22.319 20.529 1.00 32.00 ? 511 GLY A C 1 ATOM 1274 O O . GLY A 1 170 ? 18.085 -22.360 21.206 1.00 34.02 ? 511 GLY A O 1 ATOM 1275 N N . LEU A 1 171 ? 20.246 -21.779 21.008 1.00 28.51 ? 512 LEU A N 1 ATOM 1276 C CA . LEU A 1 171 ? 20.235 -21.204 22.349 1.00 26.87 ? 512 LEU A CA 1 ATOM 1277 C C . LEU A 1 171 ? 19.837 -19.731 22.229 1.00 25.29 ? 512 LEU A C 1 ATOM 1278 O O . LEU A 1 171 ? 19.908 -19.177 21.149 1.00 22.70 ? 512 LEU A O 1 ATOM 1279 C CB . LEU A 1 171 ? 21.616 -21.315 23.014 1.00 28.30 ? 512 LEU A CB 1 ATOM 1280 C CG . LEU A 1 171 ? 22.260 -22.707 23.257 1.00 29.96 ? 512 LEU A CG 1 ATOM 1281 C CD1 . LEU A 1 171 ? 23.586 -22.527 23.923 1.00 29.86 ? 512 LEU A CD1 1 ATOM 1282 C CD2 . LEU A 1 171 ? 21.422 -23.622 24.092 1.00 33.44 ? 512 LEU A CD2 1 ATOM 1283 N N . ASP A 1 172 ? 19.464 -19.109 23.345 1.00 24.43 ? 513 ASP A N 1 ATOM 1284 C CA . ASP A 1 172 ? 19.248 -17.662 23.394 1.00 23.47 ? 513 ASP A CA 1 ATOM 1285 C C . ASP A 1 172 ? 18.023 -17.266 22.586 1.00 24.35 ? 513 ASP A C 1 ATOM 1286 O O . ASP A 1 172 ? 17.979 -16.163 22.020 1.00 22.40 ? 513 ASP A O 1 ATOM 1287 C CB . ASP A 1 172 ? 20.465 -16.936 22.828 1.00 25.66 ? 513 ASP A CB 1 ATOM 1288 C CG . ASP A 1 172 ? 21.450 -16.480 23.907 1.00 32.32 ? 513 ASP A CG 1 ATOM 1289 O OD1 . ASP A 1 172 ? 21.083 -16.434 25.103 1.00 38.91 ? 513 ASP A OD1 1 ATOM 1290 O OD2 . ASP A 1 172 ? 22.597 -16.133 23.543 1.00 36.91 ? 513 ASP A OD2 1 ATOM 1291 N N . LYS A 1 173 ? 17.053 -18.177 22.497 1.00 21.45 ? 514 LYS A N 1 ATOM 1292 C CA . LYS A 1 173 ? 15.827 -17.912 21.767 1.00 20.66 ? 514 LYS A CA 1 ATOM 1293 C C . LYS A 1 173 ? 15.169 -16.669 22.344 1.00 21.33 ? 514 LYS A C 1 ATOM 1294 O O . LYS A 1 173 ? 14.876 -16.599 23.538 1.00 19.70 ? 514 LYS A O 1 ATOM 1295 C CB . LYS A 1 173 ? 14.878 -19.098 21.870 1.00 23.62 ? 514 LYS A CB 1 ATOM 1296 C CG . LYS A 1 173 ? 13.610 -18.966 21.080 1.00 31.85 ? 514 LYS A CG 1 ATOM 1297 C CD . LYS A 1 173 ? 12.892 -20.305 21.041 1.00 49.79 ? 514 LYS A CD 1 ATOM 1298 C CE . LYS A 1 173 ? 13.551 -21.223 19.997 1.00 52.32 ? 514 LYS A CE 1 ATOM 1299 N NZ . LYS A 1 173 ? 13.143 -22.657 20.154 1.00 61.38 ? 514 LYS A NZ 1 ATOM 1300 N N . CYS A 1 174 ? 14.965 -15.687 21.474 1.00 19.90 ? 515 CYS A N 1 ATOM 1301 C CA . CYS A 1 174 ? 14.208 -14.497 21.763 1.00 18.18 ? 515 CYS A CA 1 ATOM 1302 C C . CYS A 1 174 ? 14.990 -13.440 22.566 1.00 17.63 ? 515 CYS A C 1 ATOM 1303 O O . CYS A 1 174 ? 14.394 -12.487 23.045 1.00 18.99 ? 515 CYS A O 1 ATOM 1304 C CB . CYS A 1 174 ? 12.885 -14.843 22.468 1.00 18.88 ? 515 CYS A CB 1 ATOM 1305 S SG . CYS A 1 174 ? 11.484 -13.689 22.049 1.00 18.54 ? 515 CYS A SG 1 ATOM 1306 N N . VAL A 1 175 ? 16.298 -13.594 22.708 1.00 19.64 ? 516 VAL A N 1 ATOM 1307 C CA . VAL A 1 175 ? 17.067 -12.574 23.410 1.00 21.86 ? 516 VAL A CA 1 ATOM 1308 C C . VAL A 1 175 ? 17.062 -11.343 22.513 1.00 21.29 ? 516 VAL A C 1 ATOM 1309 O O . VAL A 1 175 ? 17.121 -11.473 21.296 1.00 17.90 ? 516 VAL A O 1 ATOM 1310 C CB . VAL A 1 175 ? 18.547 -12.967 23.686 1.00 21.39 ? 516 VAL A CB 1 ATOM 1311 C CG1 . VAL A 1 175 ? 18.629 -14.143 24.646 1.00 29.55 ? 516 VAL A CG1 1 ATOM 1312 C CG2 . VAL A 1 175 ? 19.313 -13.250 22.364 1.00 25.63 ? 516 VAL A CG2 1 ATOM 1313 N N . PRO A 1 176 ? 16.963 -10.156 23.110 1.00 22.24 ? 517 PRO A N 1 ATOM 1314 C CA . PRO A 1 176 ? 17.033 -8.914 22.306 1.00 20.61 ? 517 PRO A CA 1 ATOM 1315 C C . PRO A 1 176 ? 18.456 -8.440 22.002 1.00 20.76 ? 517 PRO A C 1 ATOM 1316 O O . PRO A 1 176 ? 18.868 -7.344 22.412 1.00 18.71 ? 517 PRO A O 1 ATOM 1317 C CB . PRO A 1 176 ? 16.281 -7.898 23.158 1.00 20.68 ? 517 PRO A CB 1 ATOM 1318 C CG . PRO A 1 176 ? 16.377 -8.395 24.581 1.00 19.15 ? 517 PRO A CG 1 ATOM 1319 C CD . PRO A 1 176 ? 16.692 -9.898 24.537 1.00 21.08 ? 517 PRO A CD 1 ATOM 1320 N N . ASN A 1 177 ? 19.189 -9.271 21.274 1.00 20.39 ? 518 ASN A N 1 ATOM 1321 C CA . ASN A 1 177 ? 20.486 -8.920 20.752 1.00 20.08 ? 518 ASN A CA 1 ATOM 1322 C C . ASN A 1 177 ? 20.705 -9.785 19.511 1.00 22.23 ? 518 ASN A C 1 ATOM 1323 O O . ASN A 1 177 ? 19.932 -10.708 19.245 1.00 21.85 ? 518 ASN A O 1 ATOM 1324 C CB . ASN A 1 177 ? 21.624 -9.016 21.825 1.00 16.53 ? 518 ASN A CB 1 ATOM 1325 C CG . ASN A 1 177 ? 21.991 -10.455 22.183 1.00 16.82 ? 518 ASN A CG 1 ATOM 1326 O OD1 . ASN A 1 177 ? 22.032 -11.317 21.317 1.00 24.80 ? 518 ASN A OD1 1 ATOM 1327 N ND2 . ASN A 1 177 ? 22.323 -10.699 23.446 1.00 16.46 ? 518 ASN A ND2 1 ATOM 1328 N N . SER A 1 178 ? 21.734 -9.464 18.737 1.00 20.38 ? 519 SER A N 1 ATOM 1329 C CA . SER A 1 178 ? 21.908 -10.053 17.431 1.00 21.94 ? 519 SER A CA 1 ATOM 1330 C C . SER A 1 178 ? 22.269 -11.539 17.440 1.00 22.57 ? 519 SER A C 1 ATOM 1331 O O . SER A 1 178 ? 22.306 -12.134 16.387 1.00 26.30 ? 519 SER A O 1 ATOM 1332 C CB . SER A 1 178 ? 22.956 -9.281 16.609 1.00 21.36 ? 519 SER A CB 1 ATOM 1333 O OG . SER A 1 178 ? 24.255 -9.556 17.126 1.00 24.09 ? 519 SER A OG 1 ATOM 1334 N N . LYS A 1 179 ? 22.479 -12.153 18.595 1.00 21.77 ? 520 LYS A N 1 ATOM 1335 C CA . LYS A 1 179 ? 22.530 -13.622 18.651 1.00 23.54 ? 520 LYS A CA 1 ATOM 1336 C C . LYS A 1 179 ? 21.235 -14.271 18.161 1.00 24.38 ? 520 LYS A C 1 ATOM 1337 O O . LYS A 1 179 ? 21.272 -15.369 17.579 1.00 24.90 ? 520 LYS A O 1 ATOM 1338 C CB . LYS A 1 179 ? 22.814 -14.136 20.071 1.00 23.39 ? 520 LYS A CB 1 ATOM 1339 C CG . LYS A 1 179 ? 24.190 -13.821 20.585 1.00 29.34 ? 520 LYS A CG 1 ATOM 1340 C CD . LYS A 1 179 ? 24.531 -14.732 21.760 1.00 38.73 ? 520 LYS A CD 1 ATOM 1341 C CE . LYS A 1 179 ? 24.672 -16.171 21.280 1.00 44.62 ? 520 LYS A CE 1 ATOM 1342 N NZ . LYS A 1 179 ? 24.451 -17.159 22.377 1.00 46.87 ? 520 LYS A NZ 1 ATOM 1343 N N . GLU A 1 180 ? 20.097 -13.620 18.428 1.00 22.38 ? 521 GLU A N 1 ATOM 1344 C CA . GLU A 1 180 ? 18.806 -14.107 17.954 1.00 21.37 ? 521 GLU A CA 1 ATOM 1345 C C . GLU A 1 180 ? 18.721 -13.855 16.429 1.00 20.98 ? 521 GLU A C 1 ATOM 1346 O O . GLU A 1 180 ? 18.896 -12.727 15.963 1.00 19.69 ? 521 GLU A O 1 ATOM 1347 C CB . GLU A 1 180 ? 17.636 -13.438 18.716 1.00 17.99 ? 521 GLU A CB 1 ATOM 1348 C CG . GLU A 1 180 ? 16.294 -13.454 17.940 1.00 20.61 ? 521 GLU A CG 1 ATOM 1349 C CD . GLU A 1 180 ? 15.711 -14.880 17.754 1.00 20.71 ? 521 GLU A CD 1 ATOM 1350 O OE1 . GLU A 1 180 ? 15.636 -15.646 18.751 1.00 20.26 ? 521 GLU A OE1 1 ATOM 1351 O OE2 . GLU A 1 180 ? 15.367 -15.243 16.609 1.00 16.72 ? 521 GLU A OE2 1 ATOM 1352 N N . LYS A 1 181 ? 18.515 -14.929 15.673 1.00 20.47 ? 522 LYS A N 1 ATOM 1353 C CA . LYS A 1 181 ? 18.432 -14.904 14.217 1.00 23.47 ? 522 LYS A CA 1 ATOM 1354 C C . LYS A 1 181 ? 17.460 -13.847 13.674 1.00 20.59 ? 522 LYS A C 1 ATOM 1355 O O . LYS A 1 181 ? 17.758 -13.182 12.692 1.00 21.46 ? 522 LYS A O 1 ATOM 1356 C CB . LYS A 1 181 ? 18.027 -16.312 13.727 1.00 22.56 ? 522 LYS A CB 1 ATOM 1357 C CG . LYS A 1 181 ? 17.885 -16.522 12.234 1.00 25.98 ? 522 LYS A CG 1 ATOM 1358 C CD . LYS A 1 181 ? 17.517 -18.032 12.001 1.00 27.43 ? 522 LYS A CD 1 ATOM 1359 C CE . LYS A 1 181 ? 17.538 -18.428 10.542 1.00 40.23 ? 522 LYS A CE 1 ATOM 1360 N NZ . LYS A 1 181 ? 17.270 -19.909 10.348 1.00 41.16 ? 522 LYS A NZ 1 ATOM 1361 N N . TYR A 1 182 ? 16.291 -13.697 14.298 1.00 21.03 ? 523 TYR A N 1 ATOM 1362 C CA . TYR A 1 182 ? 15.287 -12.762 13.795 1.00 19.32 ? 523 TYR A CA 1 ATOM 1363 C C . TYR A 1 182 ? 15.238 -11.427 14.574 1.00 19.72 ? 523 TYR A C 1 ATOM 1364 O O . TYR A 1 182 ? 14.232 -10.709 14.554 1.00 18.99 ? 523 TYR A O 1 ATOM 1365 C CB . TYR A 1 182 ? 13.921 -13.422 13.702 1.00 18.96 ? 523 TYR A CB 1 ATOM 1366 C CG . TYR A 1 182 ? 13.890 -14.663 12.828 1.00 15.79 ? 523 TYR A CG 1 ATOM 1367 C CD1 . TYR A 1 182 ? 14.388 -14.640 11.527 1.00 20.73 ? 523 TYR A CD1 1 ATOM 1368 C CD2 . TYR A 1 182 ? 13.390 -15.864 13.310 1.00 26.59 ? 523 TYR A CD2 1 ATOM 1369 C CE1 . TYR A 1 182 ? 14.355 -15.774 10.710 1.00 19.78 ? 523 TYR A CE1 1 ATOM 1370 C CE2 . TYR A 1 182 ? 13.374 -17.015 12.512 1.00 21.46 ? 523 TYR A CE2 1 ATOM 1371 C CZ . TYR A 1 182 ? 13.851 -16.955 11.208 1.00 25.45 ? 523 TYR A CZ 1 ATOM 1372 O OH . TYR A 1 182 ? 13.833 -18.078 10.404 1.00 23.58 ? 523 TYR A OH 1 ATOM 1373 N N . TYR A 1 183 ? 16.347 -11.082 15.210 1.00 15.97 ? 524 TYR A N 1 ATOM 1374 C CA . TYR A 1 183 ? 16.466 -9.793 15.924 1.00 19.60 ? 524 TYR A CA 1 ATOM 1375 C C . TYR A 1 183 ? 16.714 -8.607 14.995 1.00 17.91 ? 524 TYR A C 1 ATOM 1376 O O . TYR A 1 183 ? 17.451 -8.725 14.000 1.00 16.12 ? 524 TYR A O 1 ATOM 1377 C CB . TYR A 1 183 ? 17.645 -9.827 16.925 1.00 20.69 ? 524 TYR A CB 1 ATOM 1378 C CG . TYR A 1 183 ? 17.886 -8.497 17.615 1.00 16.46 ? 524 TYR A CG 1 ATOM 1379 C CD1 . TYR A 1 183 ? 17.030 -8.048 18.645 1.00 15.99 ? 524 TYR A CD1 1 ATOM 1380 C CD2 . TYR A 1 183 ? 18.930 -7.665 17.237 1.00 21.51 ? 524 TYR A CD2 1 ATOM 1381 C CE1 . TYR A 1 183 ? 17.244 -6.812 19.296 1.00 18.36 ? 524 TYR A CE1 1 ATOM 1382 C CE2 . TYR A 1 183 ? 19.132 -6.391 17.883 1.00 17.12 ? 524 TYR A CE2 1 ATOM 1383 C CZ . TYR A 1 183 ? 18.281 -5.996 18.904 1.00 22.91 ? 524 TYR A CZ 1 ATOM 1384 O OH . TYR A 1 183 ? 18.471 -4.793 19.549 1.00 21.74 ? 524 TYR A OH 1 ATOM 1385 N N . GLY A 1 184 ? 16.110 -7.465 15.318 1.00 15.70 ? 525 GLY A N 1 ATOM 1386 C CA . GLY A 1 184 ? 16.492 -6.213 14.673 1.00 16.40 ? 525 GLY A CA 1 ATOM 1387 C C . GLY A 1 184 ? 15.799 -5.993 13.337 1.00 16.95 ? 525 GLY A C 1 ATOM 1388 O O . GLY A 1 184 ? 14.989 -6.826 12.898 1.00 16.86 ? 525 GLY A O 1 ATOM 1389 N N . TYR A 1 185 ? 16.108 -4.865 12.698 1.00 15.31 ? 526 TYR A N 1 ATOM 1390 C CA . TYR A 1 185 ? 15.605 -4.589 11.361 1.00 16.81 ? 526 TYR A CA 1 ATOM 1391 C C . TYR A 1 185 ? 15.833 -5.743 10.383 1.00 16.79 ? 526 TYR A C 1 ATOM 1392 O O . TYR A 1 185 ? 14.913 -6.137 9.676 1.00 15.70 ? 526 TYR A O 1 ATOM 1393 C CB . TYR A 1 185 ? 16.277 -3.339 10.767 1.00 17.77 ? 526 TYR A CB 1 ATOM 1394 C CG . TYR A 1 185 ? 15.952 -2.022 11.481 1.00 18.74 ? 526 TYR A CG 1 ATOM 1395 C CD1 . TYR A 1 185 ? 14.646 -1.557 11.574 1.00 17.03 ? 526 TYR A CD1 1 ATOM 1396 C CD2 . TYR A 1 185 ? 16.969 -1.220 11.965 1.00 14.61 ? 526 TYR A CD2 1 ATOM 1397 C CE1 . TYR A 1 185 ? 14.361 -0.345 12.183 1.00 18.72 ? 526 TYR A CE1 1 ATOM 1398 C CE2 . TYR A 1 185 ? 16.703 -0.014 12.562 1.00 16.49 ? 526 TYR A CE2 1 ATOM 1399 C CZ . TYR A 1 185 ? 15.399 0.410 12.694 1.00 13.20 ? 526 TYR A CZ 1 ATOM 1400 O OH . TYR A 1 185 ? 15.155 1.615 13.300 1.00 18.84 ? 526 TYR A OH 1 ATOM 1401 N N . THR A 1 186 ? 17.077 -6.202 10.278 1.00 18.82 ? 527 THR A N 1 ATOM 1402 C CA . THR A 1 186 ? 17.452 -7.231 9.305 1.00 21.80 ? 527 THR A CA 1 ATOM 1403 C C . THR A 1 186 ? 16.828 -8.592 9.668 1.00 19.47 ? 527 THR A C 1 ATOM 1404 O O . THR A 1 186 ? 16.332 -9.317 8.798 1.00 16.91 ? 527 THR A O 1 ATOM 1405 C CB . THR A 1 186 ? 19.006 -7.395 9.208 1.00 24.32 ? 527 THR A CB 1 ATOM 1406 O OG1 . THR A 1 186 ? 19.591 -6.158 8.801 1.00 31.05 ? 527 THR A OG1 1 ATOM 1407 C CG2 . THR A 1 186 ? 19.378 -8.458 8.149 1.00 31.46 ? 527 THR A CG2 1 ATOM 1408 N N . GLY A 1 187 ? 16.897 -8.938 10.959 1.00 19.30 ? 528 GLY A N 1 ATOM 1409 C CA . GLY A 1 187 ? 16.295 -10.143 11.479 1.00 16.55 ? 528 GLY A CA 1 ATOM 1410 C C . GLY A 1 187 ? 14.802 -10.252 11.260 1.00 17.15 ? 528 GLY A C 1 ATOM 1411 O O . GLY A 1 187 ? 14.320 -11.283 10.800 1.00 17.09 ? 528 GLY A O 1 ATOM 1412 N N . ALA A 1 188 ? 14.051 -9.208 11.620 1.00 16.97 ? 529 ALA A N 1 ATOM 1413 C CA . ALA A 1 188 ? 12.602 -9.181 11.357 1.00 16.33 ? 529 ALA A CA 1 ATOM 1414 C C . ALA A 1 188 ? 12.261 -9.268 9.846 1.00 17.59 ? 529 ALA A C 1 ATOM 1415 O O . ALA A 1 188 ? 11.304 -9.934 9.445 1.00 21.28 ? 529 ALA A O 1 ATOM 1416 C CB . ALA A 1 188 ? 11.954 -7.905 11.984 1.00 17.16 ? 529 ALA A CB 1 ATOM 1417 N N . PHE A 1 189 ? 13.041 -8.620 8.991 1.00 17.56 ? 530 PHE A N 1 ATOM 1418 C CA . PHE A 1 189 ? 12.778 -8.743 7.563 1.00 19.14 ? 530 PHE A CA 1 ATOM 1419 C C . PHE A 1 189 ? 13.134 -10.169 7.070 1.00 20.99 ? 530 PHE A C 1 ATOM 1420 O O . PHE A 1 189 ? 12.460 -10.706 6.212 1.00 22.27 ? 530 PHE A O 1 ATOM 1421 C CB . PHE A 1 189 ? 13.496 -7.642 6.761 1.00 21.58 ? 530 PHE A CB 1 ATOM 1422 C CG . PHE A 1 189 ? 13.193 -7.685 5.269 1.00 19.79 ? 530 PHE A CG 1 ATOM 1423 C CD1 . PHE A 1 189 ? 11.935 -7.368 4.788 1.00 24.67 ? 530 PHE A CD1 1 ATOM 1424 C CD2 . PHE A 1 189 ? 14.167 -8.063 4.377 1.00 22.31 ? 530 PHE A CD2 1 ATOM 1425 C CE1 . PHE A 1 189 ? 11.649 -7.420 3.408 1.00 23.06 ? 530 PHE A CE1 1 ATOM 1426 C CE2 . PHE A 1 189 ? 13.890 -8.133 2.996 1.00 29.48 ? 530 PHE A CE2 1 ATOM 1427 C CZ . PHE A 1 189 ? 12.638 -7.814 2.524 1.00 27.14 ? 530 PHE A CZ 1 ATOM 1428 N N . ARG A 1 190 ? 14.163 -10.789 7.652 1.00 21.26 ? 531 ARG A N 1 ATOM 1429 C CA . ARG A 1 190 ? 14.514 -12.188 7.347 1.00 18.22 ? 531 ARG A CA 1 ATOM 1430 C C . ARG A 1 190 ? 13.381 -13.143 7.746 1.00 18.98 ? 531 ARG A C 1 ATOM 1431 O O . ARG A 1 190 ? 13.057 -14.075 7.023 1.00 18.57 ? 531 ARG A O 1 ATOM 1432 C CB . ARG A 1 190 ? 15.804 -12.595 8.060 1.00 17.86 ? 531 ARG A CB 1 ATOM 1433 C CG . ARG A 1 190 ? 16.262 -13.982 7.669 1.00 19.74 ? 531 ARG A CG 1 ATOM 1434 C CD . ARG A 1 190 ? 17.448 -14.462 8.460 1.00 24.29 ? 531 ARG A CD 1 ATOM 1435 N NE . ARG A 1 190 ? 17.900 -15.772 7.975 1.00 27.03 ? 531 ARG A NE 1 ATOM 1436 C CZ . ARG A 1 190 ? 19.104 -16.291 8.190 1.00 28.77 ? 531 ARG A CZ 1 ATOM 1437 N NH1 . ARG A 1 190 ? 20.003 -15.620 8.894 1.00 28.91 ? 531 ARG A NH1 1 ATOM 1438 N NH2 . ARG A 1 190 ? 19.414 -17.482 7.693 1.00 25.63 ? 531 ARG A NH2 1 ATOM 1439 N N . CYS A 1 191 ? 12.741 -12.846 8.869 1.00 18.18 ? 532 CYS A N 1 ATOM 1440 C CA . CYS A 1 191 ? 11.605 -13.616 9.400 1.00 18.53 ? 532 CYS A CA 1 ATOM 1441 C C . CYS A 1 191 ? 10.442 -13.615 8.394 1.00 19.49 ? 532 CYS A C 1 ATOM 1442 O O . CYS A 1 191 ? 9.751 -14.614 8.208 1.00 18.28 ? 532 CYS A O 1 ATOM 1443 C CB . CYS A 1 191 ? 11.226 -13.054 10.793 1.00 14.82 ? 532 CYS A CB 1 ATOM 1444 S SG . CYS A 1 191 ? 9.636 -13.522 11.541 1.00 19.10 ? 532 CYS A SG 1 ATOM 1445 N N . LEU A 1 192 ? 10.235 -12.485 7.729 1.00 21.25 ? 533 LEU A N 1 ATOM 1446 C CA . LEU A 1 192 ? 9.232 -12.397 6.698 1.00 20.58 ? 533 LEU A CA 1 ATOM 1447 C C . LEU A 1 192 ? 9.717 -13.114 5.426 1.00 22.81 ? 533 LEU A C 1 ATOM 1448 O O . LEU A 1 192 ? 9.047 -13.976 4.899 1.00 22.11 ? 533 LEU A O 1 ATOM 1449 C CB . LEU A 1 192 ? 8.939 -10.926 6.367 1.00 23.14 ? 533 LEU A CB 1 ATOM 1450 C CG . LEU A 1 192 ? 8.082 -10.703 5.107 1.00 19.38 ? 533 LEU A CG 1 ATOM 1451 C CD1 . LEU A 1 192 ? 6.635 -11.209 5.322 1.00 22.42 ? 533 LEU A CD1 1 ATOM 1452 C CD2 . LEU A 1 192 ? 8.098 -9.221 4.713 1.00 19.26 ? 533 LEU A CD2 1 ATOM 1453 N N . ALA A 1 193 ? 10.897 -12.740 4.952 1.00 22.29 ? 534 ALA A N 1 ATOM 1454 C CA . ALA A 1 193 ? 11.473 -13.294 3.738 1.00 24.94 ? 534 ALA A CA 1 ATOM 1455 C C . ALA A 1 193 ? 11.424 -14.829 3.685 1.00 24.65 ? 534 ALA A C 1 ATOM 1456 O O . ALA A 1 193 ? 11.213 -15.401 2.622 1.00 26.08 ? 534 ALA A O 1 ATOM 1457 C CB . ALA A 1 193 ? 12.918 -12.789 3.569 1.00 23.06 ? 534 ALA A CB 1 ATOM 1458 N N . GLU A 1 194 ? 11.604 -15.478 4.835 1.00 23.28 ? 535 GLU A N 1 ATOM 1459 C CA . GLU A 1 194 ? 11.673 -16.913 4.926 1.00 23.67 ? 535 GLU A CA 1 ATOM 1460 C C . GLU A 1 194 ? 10.297 -17.475 5.212 1.00 24.78 ? 535 GLU A C 1 ATOM 1461 O O . GLU A 1 194 ? 10.139 -18.664 5.453 1.00 24.82 ? 535 GLU A O 1 ATOM 1462 C CB . GLU A 1 194 ? 12.627 -17.296 6.060 1.00 26.50 ? 535 GLU A CB 1 ATOM 1463 C CG . GLU A 1 194 ? 14.081 -17.237 5.668 1.00 25.80 ? 535 GLU A CG 1 ATOM 1464 C CD . GLU A 1 194 ? 15.016 -17.533 6.821 1.00 30.07 ? 535 GLU A CD 1 ATOM 1465 O OE1 . GLU A 1 194 ? 14.549 -17.773 7.956 1.00 33.19 ? 535 GLU A OE1 1 ATOM 1466 O OE2 . GLU A 1 194 ? 16.230 -17.542 6.593 1.00 29.00 ? 535 GLU A OE2 1 ATOM 1467 N N . ASP A 1 195 ? 9.300 -16.602 5.235 1.00 25.01 ? 536 ASP A N 1 ATOM 1468 C CA . ASP A 1 195 ? 7.906 -17.017 5.453 1.00 26.29 ? 536 ASP A CA 1 ATOM 1469 C C . ASP A 1 195 ? 7.642 -17.643 6.800 1.00 24.50 ? 536 ASP A C 1 ATOM 1470 O O . ASP A 1 195 ? 6.717 -18.429 6.940 1.00 25.04 ? 536 ASP A O 1 ATOM 1471 C CB . ASP A 1 195 ? 7.411 -17.965 4.349 1.00 25.26 ? 536 ASP A CB 1 ATOM 1472 C CG . ASP A 1 195 ? 7.474 -17.323 2.992 1.00 31.97 ? 536 ASP A CG 1 ATOM 1473 O OD1 . ASP A 1 195 ? 6.960 -16.189 2.837 1.00 32.33 ? 536 ASP A OD1 1 ATOM 1474 O OD2 . ASP A 1 195 ? 8.077 -17.943 2.101 1.00 34.45 ? 536 ASP A OD2 1 ATOM 1475 N N . VAL A 1 196 ? 8.416 -17.247 7.800 1.00 23.18 ? 537 VAL A N 1 ATOM 1476 C CA . VAL A 1 196 ? 8.141 -17.628 9.175 1.00 21.18 ? 537 VAL A CA 1 ATOM 1477 C C . VAL A 1 196 ? 6.929 -16.817 9.662 1.00 21.72 ? 537 VAL A C 1 ATOM 1478 O O . VAL A 1 196 ? 6.015 -17.356 10.308 1.00 21.08 ? 537 VAL A O 1 ATOM 1479 C CB . VAL A 1 196 ? 9.426 -17.389 10.039 1.00 25.15 ? 537 VAL A CB 1 ATOM 1480 C CG1 . VAL A 1 196 ? 9.174 -17.573 11.544 1.00 20.41 ? 537 VAL A CG1 1 ATOM 1481 C CG2 . VAL A 1 196 ? 10.540 -18.332 9.570 1.00 21.42 ? 537 VAL A CG2 1 ATOM 1482 N N . GLY A 1 197 ? 6.905 -15.524 9.340 1.00 19.98 ? 538 GLY A N 1 ATOM 1483 C CA . GLY A 1 197 ? 5.798 -14.672 9.754 1.00 20.53 ? 538 GLY A CA 1 ATOM 1484 C C . GLY A 1 197 ? 5.066 -14.189 8.516 1.00 19.59 ? 538 GLY A C 1 ATOM 1485 O O . GLY A 1 197 ? 5.586 -14.311 7.425 1.00 20.37 ? 538 GLY A O 1 ATOM 1486 N N . ASP A 1 198 ? 3.852 -13.662 8.695 1.00 21.50 ? 539 ASP A N 1 ATOM 1487 C CA . ASP A 1 198 ? 3.080 -13.003 7.593 1.00 20.82 ? 539 ASP A CA 1 ATOM 1488 C C . ASP A 1 198 ? 3.413 -11.542 7.357 1.00 21.94 ? 539 ASP A C 1 ATOM 1489 O O . ASP A 1 198 ? 3.182 -10.993 6.259 1.00 21.56 ? 539 ASP A O 1 ATOM 1490 C CB . ASP A 1 198 ? 1.588 -13.122 7.869 1.00 22.30 ? 539 ASP A CB 1 ATOM 1491 C CG . ASP A 1 198 ? 1.136 -14.578 7.939 1.00 23.57 ? 539 ASP A CG 1 ATOM 1492 O OD1 . ASP A 1 198 ? 1.414 -15.321 6.966 1.00 25.74 ? 539 ASP A OD1 1 ATOM 1493 O OD2 . ASP A 1 198 ? 0.578 -14.964 8.980 1.00 26.07 ? 539 ASP A OD2 1 ATOM 1494 N N . VAL A 1 199 ? 3.931 -10.897 8.396 1.00 24.03 ? 540 VAL A N 1 ATOM 1495 C CA . VAL A 1 199 ? 4.162 -9.455 8.382 1.00 22.97 ? 540 VAL A CA 1 ATOM 1496 C C . VAL A 1 199 ? 5.396 -9.108 9.203 1.00 22.22 ? 540 VAL A C 1 ATOM 1497 O O . VAL A 1 199 ? 5.622 -9.719 10.237 1.00 22.50 ? 540 VAL A O 1 ATOM 1498 C CB . VAL A 1 199 ? 2.907 -8.675 8.913 1.00 23.16 ? 540 VAL A CB 1 ATOM 1499 C CG1 . VAL A 1 199 ? 2.591 -9.035 10.398 1.00 23.45 ? 540 VAL A CG1 1 ATOM 1500 C CG2 . VAL A 1 199 ? 3.128 -7.164 8.764 1.00 19.90 ? 540 VAL A CG2 1 ATOM 1501 N N . ALA A 1 200 ? 6.201 -8.159 8.704 1.00 22.51 ? 541 ALA A N 1 ATOM 1502 C CA . ALA A 1 200 ? 7.355 -7.619 9.400 1.00 21.25 ? 541 ALA A CA 1 ATOM 1503 C C . ALA A 1 200 ? 7.165 -6.110 9.634 1.00 20.49 ? 541 ALA A C 1 ATOM 1504 O O . ALA A 1 200 ? 6.735 -5.370 8.745 1.00 17.33 ? 541 ALA A O 1 ATOM 1505 C CB . ALA A 1 200 ? 8.692 -7.886 8.619 1.00 19.87 ? 541 ALA A CB 1 ATOM 1506 N N . PHE A 1 201 ? 7.459 -5.679 10.856 1.00 18.74 ? 542 PHE A N 1 ATOM 1507 C CA . PHE A 1 201 ? 7.398 -4.278 11.201 1.00 18.55 ? 542 PHE A CA 1 ATOM 1508 C C . PHE A 1 201 ? 8.832 -3.769 11.268 1.00 19.82 ? 542 PHE A C 1 ATOM 1509 O O . PHE A 1 201 ? 9.612 -4.079 12.200 1.00 18.26 ? 542 PHE A O 1 ATOM 1510 C CB . PHE A 1 201 ? 6.628 -4.062 12.503 1.00 20.56 ? 542 PHE A CB 1 ATOM 1511 C CG . PHE A 1 201 ? 5.195 -4.555 12.438 1.00 20.77 ? 542 PHE A CG 1 ATOM 1512 C CD1 . PHE A 1 201 ? 4.219 -3.832 11.745 1.00 20.71 ? 542 PHE A CD1 1 ATOM 1513 C CD2 . PHE A 1 201 ? 4.851 -5.757 13.008 1.00 17.62 ? 542 PHE A CD2 1 ATOM 1514 C CE1 . PHE A 1 201 ? 2.922 -4.278 11.670 1.00 20.07 ? 542 PHE A CE1 1 ATOM 1515 C CE2 . PHE A 1 201 ? 3.539 -6.231 12.943 1.00 22.43 ? 542 PHE A CE2 1 ATOM 1516 C CZ . PHE A 1 201 ? 2.566 -5.471 12.267 1.00 22.80 ? 542 PHE A CZ 1 ATOM 1517 N N . VAL A 1 202 ? 9.187 -3.040 10.216 1.00 19.84 ? 543 VAL A N 1 ATOM 1518 C CA . VAL A 1 202 ? 10.536 -2.557 10.048 1.00 18.65 ? 543 VAL A CA 1 ATOM 1519 C C . VAL A 1 202 ? 10.456 -1.132 9.539 1.00 18.42 ? 543 VAL A C 1 ATOM 1520 O O . VAL A 1 202 ? 9.416 -0.489 9.652 1.00 20.05 ? 543 VAL A O 1 ATOM 1521 C CB . VAL A 1 202 ? 11.310 -3.461 9.077 1.00 18.81 ? 543 VAL A CB 1 ATOM 1522 C CG1 . VAL A 1 202 ? 11.526 -4.867 9.688 1.00 22.48 ? 543 VAL A CG1 1 ATOM 1523 C CG2 . VAL A 1 202 ? 10.551 -3.613 7.764 1.00 18.92 ? 543 VAL A CG2 1 ATOM 1524 N N . LYS A 1 203 ? 11.549 -0.652 8.970 1.00 21.73 ? 544 LYS A N 1 ATOM 1525 C CA . LYS A 1 203 ? 11.572 0.669 8.381 1.00 22.46 ? 544 LYS A CA 1 ATOM 1526 C C . LYS A 1 203 ? 11.719 0.553 6.853 1.00 21.66 ? 544 LYS A C 1 ATOM 1527 O O . LYS A 1 203 ? 12.137 -0.485 6.324 1.00 19.97 ? 544 LYS A O 1 ATOM 1528 C CB . LYS A 1 203 ? 12.693 1.515 9.013 1.00 20.86 ? 544 LYS A CB 1 ATOM 1529 C CG . LYS A 1 203 ? 14.092 1.015 8.724 1.00 23.63 ? 544 LYS A CG 1 ATOM 1530 C CD . LYS A 1 203 ? 15.145 1.984 9.231 1.00 23.38 ? 544 LYS A CD 1 ATOM 1531 C CE . LYS A 1 203 ? 16.485 1.338 9.142 1.00 20.07 ? 544 LYS A CE 1 ATOM 1532 N NZ . LYS A 1 203 ? 17.603 2.229 9.587 1.00 25.39 ? 544 LYS A NZ 1 ATOM 1533 N N . ASN A 1 204 ? 11.353 1.606 6.137 1.00 22.20 ? 545 ASN A N 1 ATOM 1534 C CA . ASN A 1 204 ? 11.458 1.590 4.682 1.00 23.10 ? 545 ASN A CA 1 ATOM 1535 C C . ASN A 1 204 ? 12.828 1.107 4.164 1.00 23.73 ? 545 ASN A C 1 ATOM 1536 O O . ASN A 1 204 ? 12.908 0.269 3.266 1.00 23.45 ? 545 ASN A O 1 ATOM 1537 C CB . ASN A 1 204 ? 11.115 2.989 4.120 1.00 24.29 ? 545 ASN A CB 1 ATOM 1538 C CG . ASN A 1 204 ? 11.667 3.207 2.713 1.00 27.30 ? 545 ASN A CG 1 ATOM 1539 O OD1 . ASN A 1 204 ? 11.263 2.523 1.763 1.00 22.90 ? 545 ASN A OD1 1 ATOM 1540 N ND2 . ASN A 1 204 ? 12.635 4.138 2.591 1.00 28.56 ? 545 ASN A ND2 1 ATOM 1541 N N . ASP A 1 205 ? 13.905 1.629 4.729 1.00 22.54 ? 546 ASP A N 1 ATOM 1542 C CA . ASP A 1 205 ? 15.238 1.356 4.199 1.00 23.23 ? 546 ASP A CA 1 ATOM 1543 C C . ASP A 1 205 ? 15.620 -0.113 4.210 1.00 23.18 ? 546 ASP A C 1 ATOM 1544 O O . ASP A 1 205 ? 16.350 -0.575 3.338 1.00 20.62 ? 546 ASP A O 1 ATOM 1545 C CB . ASP A 1 205 ? 16.273 2.150 4.983 1.00 26.23 ? 546 ASP A CB 1 ATOM 1546 C CG . ASP A 1 205 ? 15.856 3.596 5.165 1.00 28.01 ? 546 ASP A CG 1 ATOM 1547 O OD1 . ASP A 1 205 ? 15.012 3.893 6.031 1.00 31.02 ? 546 ASP A OD1 1 ATOM 1548 O OD2 . ASP A 1 205 ? 16.351 4.436 4.412 1.00 31.59 ? 546 ASP A OD2 1 ATOM 1549 N N . THR A 1 206 ? 15.129 -0.830 5.211 1.00 21.64 ? 547 THR A N 1 ATOM 1550 C CA . THR A 1 206 ? 15.420 -2.250 5.378 1.00 23.21 ? 547 THR A CA 1 ATOM 1551 C C . THR A 1 206 ? 15.069 -3.080 4.124 1.00 21.28 ? 547 THR A C 1 ATOM 1552 O O . THR A 1 206 ? 15.860 -3.929 3.717 1.00 21.54 ? 547 THR A O 1 ATOM 1553 C CB . THR A 1 206 ? 14.691 -2.843 6.623 1.00 20.70 ? 547 THR A CB 1 ATOM 1554 O OG1 . THR A 1 206 ? 14.984 -2.042 7.781 1.00 21.93 ? 547 THR A OG1 1 ATOM 1555 C CG2 . THR A 1 206 ? 15.132 -4.289 6.875 1.00 20.29 ? 547 THR A CG2 1 ATOM 1556 N N . VAL A 1 207 ? 13.888 -2.843 3.564 1.00 20.72 ? 548 VAL A N 1 ATOM 1557 C CA . VAL A 1 207 ? 13.418 -3.529 2.349 1.00 23.86 ? 548 VAL A CA 1 ATOM 1558 C C . VAL A 1 207 ? 14.366 -3.305 1.160 1.00 23.30 ? 548 VAL A C 1 ATOM 1559 O O . VAL A 1 207 ? 14.788 -4.249 0.519 1.00 23.04 ? 548 VAL A O 1 ATOM 1560 C CB . VAL A 1 207 ? 11.994 -3.079 1.948 1.00 24.03 ? 548 VAL A CB 1 ATOM 1561 C CG1 . VAL A 1 207 ? 11.566 -3.788 0.653 1.00 29.87 ? 548 VAL A CG1 1 ATOM 1562 C CG2 . VAL A 1 207 ? 11.005 -3.369 3.082 1.00 26.30 ? 548 VAL A CG2 1 ATOM 1563 N N . TRP A 1 208 ? 14.726 -2.050 0.909 1.00 26.79 ? 549 TRP A N 1 ATOM 1564 C CA . TRP A 1 208 ? 15.662 -1.704 -0.194 1.00 26.43 ? 549 TRP A CA 1 ATOM 1565 C C . TRP A 1 208 ? 17.040 -2.303 -0.009 1.00 28.05 ? 549 TRP A C 1 ATOM 1566 O O . TRP A 1 208 ? 17.666 -2.775 -0.961 1.00 29.50 ? 549 TRP A O 1 ATOM 1567 C CB . TRP A 1 208 ? 15.750 -0.183 -0.307 1.00 25.11 ? 549 TRP A CB 1 ATOM 1568 C CG . TRP A 1 208 ? 14.459 0.394 -0.747 1.00 28.92 ? 549 TRP A CG 1 ATOM 1569 C CD1 . TRP A 1 208 ? 13.348 0.619 0.018 1.00 29.57 ? 549 TRP A CD1 1 ATOM 1570 C CD2 . TRP A 1 208 ? 14.115 0.792 -2.084 1.00 34.32 ? 549 TRP A CD2 1 ATOM 1571 N NE1 . TRP A 1 208 ? 12.335 1.150 -0.757 1.00 31.04 ? 549 TRP A NE1 1 ATOM 1572 C CE2 . TRP A 1 208 ? 12.774 1.252 -2.053 1.00 33.78 ? 549 TRP A CE2 1 ATOM 1573 C CE3 . TRP A 1 208 ? 14.811 0.802 -3.307 1.00 35.79 ? 549 TRP A CE3 1 ATOM 1574 C CZ2 . TRP A 1 208 ? 12.113 1.713 -3.199 1.00 34.57 ? 549 TRP A CZ2 1 ATOM 1575 C CZ3 . TRP A 1 208 ? 14.152 1.270 -4.452 1.00 30.89 ? 549 TRP A CZ3 1 ATOM 1576 C CH2 . TRP A 1 208 ? 12.818 1.716 -4.386 1.00 32.20 ? 549 TRP A CH2 1 ATOM 1577 N N . GLU A 1 209 ? 17.515 -2.305 1.233 1.00 26.26 ? 550 GLU A N 1 ATOM 1578 C CA . GLU A 1 209 ? 18.868 -2.726 1.531 1.00 28.08 ? 550 GLU A CA 1 ATOM 1579 C C . GLU A 1 209 ? 19.046 -4.222 1.471 1.00 27.76 ? 550 GLU A C 1 ATOM 1580 O O . GLU A 1 209 ? 20.166 -4.696 1.398 1.00 27.57 ? 550 GLU A O 1 ATOM 1581 C CB . GLU A 1 209 ? 19.295 -2.187 2.900 1.00 28.78 ? 550 GLU A CB 1 ATOM 1582 C CG . GLU A 1 209 ? 19.402 -0.676 2.864 1.00 34.46 ? 550 GLU A CG 1 ATOM 1583 C CD . GLU A 1 209 ? 19.844 -0.084 4.174 1.00 39.47 ? 550 GLU A CD 1 ATOM 1584 O OE1 . GLU A 1 209 ? 20.179 -0.856 5.102 1.00 38.01 ? 550 GLU A OE1 1 ATOM 1585 O OE2 . GLU A 1 209 ? 19.861 1.162 4.255 1.00 45.51 ? 550 GLU A OE2 1 ATOM 1586 N N . ASN A 1 210 ? 17.943 -4.967 1.495 1.00 28.36 ? 551 ASN A N 1 ATOM 1587 C CA . ASN A 1 210 ? 18.036 -6.426 1.480 1.00 30.70 ? 551 ASN A CA 1 ATOM 1588 C C . ASN A 1 210 ? 17.361 -7.106 0.287 1.00 30.24 ? 551 ASN A C 1 ATOM 1589 O O . ASN A 1 210 ? 16.950 -8.272 0.371 1.00 30.24 ? 551 ASN A O 1 ATOM 1590 C CB . ASN A 1 210 ? 17.485 -7.000 2.786 1.00 28.88 ? 551 ASN A CB 1 ATOM 1591 C CG . ASN A 1 210 ? 18.309 -6.593 3.976 1.00 33.52 ? 551 ASN A CG 1 ATOM 1592 O OD1 . ASN A 1 210 ? 19.484 -6.929 4.053 1.00 34.27 ? 551 ASN A OD1 1 ATOM 1593 N ND2 . ASN A 1 210 ? 17.702 -5.849 4.911 1.00 32.07 ? 551 ASN A ND2 1 ATOM 1594 N N . THR A 1 211 ? 17.235 -6.373 -0.813 1.00 30.39 ? 552 THR A N 1 ATOM 1595 C CA . THR A 1 211 ? 16.584 -6.897 -2.023 1.00 28.14 ? 552 THR A CA 1 ATOM 1596 C C . THR A 1 211 ? 17.384 -6.462 -3.261 1.00 30.23 ? 552 THR A C 1 ATOM 1597 O O . THR A 1 211 ? 18.244 -5.566 -3.182 1.00 28.05 ? 552 THR A O 1 ATOM 1598 C CB . THR A 1 211 ? 15.126 -6.422 -2.151 1.00 26.08 ? 552 THR A CB 1 ATOM 1599 O OG1 . THR A 1 211 ? 15.084 -5.005 -2.009 1.00 27.23 ? 552 THR A OG1 1 ATOM 1600 C CG2 . THR A 1 211 ? 14.220 -7.037 -1.068 1.00 20.46 ? 552 THR A CG2 1 ATOM 1601 N N . ASN A 1 212 ? 17.098 -7.125 -4.381 1.00 32.00 ? 553 ASN A N 1 ATOM 1602 C CA . ASN A 1 212 ? 17.671 -6.823 -5.696 1.00 35.12 ? 553 ASN A CA 1 ATOM 1603 C C . ASN A 1 212 ? 19.186 -6.836 -5.707 1.00 36.27 ? 553 ASN A C 1 ATOM 1604 O O . ASN A 1 212 ? 19.800 -6.019 -6.381 1.00 38.46 ? 553 ASN A O 1 ATOM 1605 C CB . ASN A 1 212 ? 17.166 -5.476 -6.233 1.00 34.43 ? 553 ASN A CB 1 ATOM 1606 C CG . ASN A 1 212 ? 15.716 -5.523 -6.637 1.00 38.64 ? 553 ASN A CG 1 ATOM 1607 O OD1 . ASN A 1 212 ? 14.923 -6.291 -6.083 1.00 42.96 ? 553 ASN A OD1 1 ATOM 1608 N ND2 . ASN A 1 212 ? 15.353 -4.703 -7.604 1.00 39.75 ? 553 ASN A ND2 1 ATOM 1609 N N . GLY A 1 213 ? 19.783 -7.747 -4.949 1.00 36.77 ? 554 GLY A N 1 ATOM 1610 C CA . GLY A 1 213 ? 21.233 -7.835 -4.888 1.00 38.87 ? 554 GLY A CA 1 ATOM 1611 C C . GLY A 1 213 ? 21.966 -6.874 -3.960 1.00 39.79 ? 554 GLY A C 1 ATOM 1612 O O . GLY A 1 213 ? 23.189 -6.859 -3.940 1.00 39.27 ? 554 GLY A O 1 ATOM 1613 N N . GLU A 1 214 ? 21.250 -6.068 -3.183 1.00 41.15 ? 555 GLU A N 1 ATOM 1614 C CA . GLU A 1 214 ? 21.948 -5.134 -2.284 1.00 41.55 ? 555 GLU A CA 1 ATOM 1615 C C . GLU A 1 214 ? 22.621 -5.860 -1.126 1.00 41.71 ? 555 GLU A C 1 ATOM 1616 O O . GLU A 1 214 ? 23.567 -5.346 -0.544 1.00 41.07 ? 555 GLU A O 1 ATOM 1617 C CB . GLU A 1 214 ? 21.015 -4.046 -1.733 1.00 41.25 ? 555 GLU A CB 1 ATOM 1618 C CG . GLU A 1 214 ? 20.464 -3.104 -2.756 1.00 37.62 ? 555 GLU A CG 1 ATOM 1619 C CD . GLU A 1 214 ? 21.497 -2.119 -3.266 1.00 46.07 ? 555 GLU A CD 1 ATOM 1620 O OE1 . GLU A 1 214 ? 22.239 -1.539 -2.444 1.00 44.35 ? 555 GLU A OE1 1 ATOM 1621 O OE2 . GLU A 1 214 ? 21.560 -1.920 -4.496 1.00 43.43 ? 555 GLU A OE2 1 ATOM 1622 N N . SER A 1 215 ? 22.156 -7.060 -0.794 1.00 43.15 ? 556 SER A N 1 ATOM 1623 C CA . SER A 1 215 ? 22.715 -7.748 0.374 1.00 45.23 ? 556 SER A CA 1 ATOM 1624 C C . SER A 1 215 ? 23.798 -8.829 0.169 1.00 48.90 ? 556 SER A C 1 ATOM 1625 O O . SER A 1 215 ? 24.792 -8.864 0.915 1.00 51.97 ? 556 SER A O 1 ATOM 1626 C CB . SER A 1 215 ? 21.622 -8.293 1.281 1.00 42.85 ? 556 SER A CB 1 ATOM 1627 O OG . SER A 1 215 ? 22.206 -9.191 2.207 1.00 39.73 ? 556 SER A OG 1 ATOM 1628 N N . THR A 1 216 ? 23.610 -9.726 -0.786 1.00 48.65 ? 557 THR A N 1 ATOM 1629 C CA . THR A 1 216 ? 24.543 -10.873 -0.946 1.00 50.92 ? 557 THR A CA 1 ATOM 1630 C C . THR A 1 216 ? 24.530 -11.928 0.179 1.00 48.71 ? 557 THR A C 1 ATOM 1631 O O . THR A 1 216 ? 25.057 -13.016 -0.003 1.00 49.13 ? 557 THR A O 1 ATOM 1632 C CB . THR A 1 216 ? 26.023 -10.458 -1.240 1.00 51.41 ? 557 THR A CB 1 ATOM 1633 O OG1 . THR A 1 216 ? 26.650 -9.973 -0.043 1.00 55.86 ? 557 THR A OG1 1 ATOM 1634 C CG2 . THR A 1 216 ? 26.095 -9.398 -2.338 1.00 56.61 ? 557 THR A CG2 1 ATOM 1635 N N . ALA A 1 217 ? 23.924 -11.630 1.326 1.00 46.68 ? 558 ALA A N 1 ATOM 1636 C CA . ALA A 1 217 ? 23.708 -12.672 2.332 1.00 44.33 ? 558 ALA A CA 1 ATOM 1637 C C . ALA A 1 217 ? 22.836 -13.773 1.732 1.00 43.72 ? 558 ALA A C 1 ATOM 1638 O O . ALA A 1 217 ? 21.918 -13.504 0.956 1.00 42.60 ? 558 ALA A O 1 ATOM 1639 C CB . ALA A 1 217 ? 23.081 -12.107 3.592 1.00 44.60 ? 558 ALA A CB 1 ATOM 1640 N N . ASP A 1 218 ? 23.151 -15.015 2.079 1.00 42.75 ? 559 ASP A N 1 ATOM 1641 C CA . ASP A 1 218 ? 22.523 -16.195 1.477 1.00 42.77 ? 559 ASP A CA 1 ATOM 1642 C C . ASP A 1 218 ? 21.001 -16.129 1.427 1.00 41.04 ? 559 ASP A C 1 ATOM 1643 O O . ASP A 1 218 ? 20.384 -16.555 0.447 1.00 41.40 ? 559 ASP A O 1 ATOM 1644 C CB . ASP A 1 218 ? 22.967 -17.443 2.244 1.00 43.63 ? 559 ASP A CB 1 ATOM 1645 C CG . ASP A 1 218 ? 23.397 -17.109 3.667 1.00 52.51 ? 559 ASP A CG 1 ATOM 1646 O OD1 . ASP A 1 218 ? 24.563 -16.663 3.838 1.00 57.97 ? 559 ASP A OD1 1 ATOM 1647 O OD2 . ASP A 1 218 ? 22.562 -17.249 4.602 1.00 57.49 ? 559 ASP A OD2 1 ATOM 1648 N N . TRP A 1 219 ? 20.382 -15.609 2.485 1.00 38.06 ? 560 TRP A N 1 ATOM 1649 C CA . TRP A 1 219 ? 18.922 -15.597 2.539 1.00 33.94 ? 560 TRP A CA 1 ATOM 1650 C C . TRP A 1 219 ? 18.376 -14.448 1.714 1.00 31.24 ? 560 TRP A C 1 ATOM 1651 O O . TRP A 1 219 ? 17.239 -14.499 1.290 1.00 29.90 ? 560 TRP A O 1 ATOM 1652 C CB . TRP A 1 219 ? 18.401 -15.528 3.992 1.00 33.09 ? 560 TRP A CB 1 ATOM 1653 C CG . TRP A 1 219 ? 18.847 -14.301 4.708 1.00 27.57 ? 560 TRP A CG 1 ATOM 1654 C CD1 . TRP A 1 219 ? 19.987 -14.140 5.417 1.00 26.17 ? 560 TRP A CD1 1 ATOM 1655 C CD2 . TRP A 1 219 ? 18.149 -13.052 4.767 1.00 23.92 ? 560 TRP A CD2 1 ATOM 1656 N NE1 . TRP A 1 219 ? 20.050 -12.858 5.935 1.00 29.13 ? 560 TRP A NE1 1 ATOM 1657 C CE2 . TRP A 1 219 ? 18.923 -12.179 5.551 1.00 25.96 ? 560 TRP A CE2 1 ATOM 1658 C CE3 . TRP A 1 219 ? 16.932 -12.597 4.247 1.00 28.18 ? 560 TRP A CE3 1 ATOM 1659 C CZ2 . TRP A 1 219 ? 18.535 -10.855 5.804 1.00 32.73 ? 560 TRP A CZ2 1 ATOM 1660 C CZ3 . TRP A 1 219 ? 16.542 -11.285 4.509 1.00 27.94 ? 560 TRP A CZ3 1 ATOM 1661 C CH2 . TRP A 1 219 ? 17.340 -10.435 5.276 1.00 27.19 ? 560 TRP A CH2 1 ATOM 1662 N N . ALA A 1 220 ? 19.201 -13.434 1.463 1.00 31.38 ? 561 ALA A N 1 ATOM 1663 C CA . ALA A 1 220 ? 18.738 -12.207 0.794 1.00 31.47 ? 561 ALA A CA 1 ATOM 1664 C C . ALA A 1 220 ? 19.106 -12.077 -0.702 1.00 32.94 ? 561 ALA A C 1 ATOM 1665 O O . ALA A 1 220 ? 18.543 -11.229 -1.411 1.00 30.71 ? 561 ALA A O 1 ATOM 1666 C CB . ALA A 1 220 ? 19.194 -10.977 1.576 1.00 30.58 ? 561 ALA A CB 1 ATOM 1667 N N . LYS A 1 221 ? 20.045 -12.919 -1.152 1.00 34.21 ? 562 LYS A N 1 ATOM 1668 C CA . LYS A 1 221 ? 20.538 -12.991 -2.548 1.00 36.87 ? 562 LYS A CA 1 ATOM 1669 C C . LYS A 1 221 ? 19.476 -12.883 -3.620 1.00 35.94 ? 562 LYS A C 1 ATOM 1670 O O . LYS A 1 221 ? 19.634 -12.132 -4.588 1.00 38.80 ? 562 LYS A O 1 ATOM 1671 C CB . LYS A 1 221 ? 21.203 -14.358 -2.808 1.00 37.34 ? 562 LYS A CB 1 ATOM 1672 C CG . LYS A 1 221 ? 22.559 -14.531 -2.248 1.00 37.89 ? 562 LYS A CG 1 ATOM 1673 C CD . LYS A 1 221 ? 23.246 -15.685 -2.950 1.00 43.67 ? 562 LYS A CD 1 ATOM 1674 C CE . LYS A 1 221 ? 22.494 -16.993 -2.792 1.00 44.81 ? 562 LYS A CE 1 ATOM 1675 N NZ . LYS A 1 221 ? 23.425 -18.150 -2.953 1.00 46.41 ? 562 LYS A NZ 1 ATOM 1676 N N . ASN A 1 222 ? 18.433 -13.696 -3.482 1.00 34.15 ? 563 ASN A N 1 ATOM 1677 C CA . ASN A 1 222 ? 17.402 -13.802 -4.504 1.00 35.00 ? 563 ASN A CA 1 ATOM 1678 C C . ASN A 1 222 ? 16.117 -13.026 -4.213 1.00 35.11 ? 563 ASN A C 1 ATOM 1679 O O . ASN A 1 222 ? 15.114 -13.253 -4.874 1.00 38.35 ? 563 ASN A O 1 ATOM 1680 C CB . ASN A 1 222 ? 17.054 -15.275 -4.736 1.00 37.89 ? 563 ASN A CB 1 ATOM 1681 C CG . ASN A 1 222 ? 18.080 -15.988 -5.601 1.00 42.30 ? 563 ASN A CG 1 ATOM 1682 O OD1 . ASN A 1 222 ? 18.399 -15.534 -6.707 1.00 45.25 ? 563 ASN A OD1 1 ATOM 1683 N ND2 . ASN A 1 222 ? 18.608 -17.106 -5.099 1.00 43.09 ? 563 ASN A ND2 1 ATOM 1684 N N . LEU A 1 223 ? 16.122 -12.127 -3.230 1.00 32.33 ? 564 LEU A N 1 ATOM 1685 C CA . LEU A 1 223 ? 14.926 -11.327 -2.971 1.00 30.04 ? 564 LEU A CA 1 ATOM 1686 C C . LEU A 1 223 ? 14.779 -10.166 -3.964 1.00 29.17 ? 564 LEU A C 1 ATOM 1687 O O . LEU A 1 223 ? 15.733 -9.434 -4.264 1.00 28.16 ? 564 LEU A O 1 ATOM 1688 C CB . LEU A 1 223 ? 14.853 -10.835 -1.506 1.00 28.10 ? 564 LEU A CB 1 ATOM 1689 C CG . LEU A 1 223 ? 15.017 -11.889 -0.386 1.00 29.25 ? 564 LEU A CG 1 ATOM 1690 C CD1 . LEU A 1 223 ? 14.969 -11.251 1.036 1.00 23.38 ? 564 LEU A CD1 1 ATOM 1691 C CD2 . LEU A 1 223 ? 14.018 -13.043 -0.497 1.00 25.65 ? 564 LEU A CD2 1 ATOM 1692 N N . LYS A 1 224 ? 13.556 -10.020 -4.453 1.00 28.45 ? 565 LYS A N 1 ATOM 1693 C CA . LYS A 1 224 ? 13.179 -9.014 -5.426 1.00 30.91 ? 565 LYS A CA 1 ATOM 1694 C C . LYS A 1 224 ? 12.147 -8.111 -4.737 1.00 29.45 ? 565 LYS A C 1 ATOM 1695 O O . LYS A 1 224 ? 11.180 -8.608 -4.152 1.00 29.14 ? 565 LYS A O 1 ATOM 1696 C CB . LYS A 1 224 ? 12.550 -9.709 -6.647 1.00 31.24 ? 565 LYS A CB 1 ATOM 1697 C CG . LYS A 1 224 ? 12.411 -8.846 -7.899 1.00 35.96 ? 565 LYS A CG 1 ATOM 1698 C CD . LYS A 1 224 ? 11.755 -7.487 -7.616 1.00 39.42 ? 565 LYS A CD 1 ATOM 1699 C CE . LYS A 1 224 ? 12.201 -6.482 -8.655 1.00 39.52 ? 565 LYS A CE 1 ATOM 1700 N NZ . LYS A 1 224 ? 11.858 -5.077 -8.353 1.00 41.15 ? 565 LYS A NZ 1 ATOM 1701 N N . ARG A 1 225 ? 12.349 -6.798 -4.799 1.00 29.53 ? 566 ARG A N 1 ATOM 1702 C CA . ARG A 1 225 ? 11.390 -5.827 -4.242 1.00 31.28 ? 566 ARG A CA 1 ATOM 1703 C C . ARG A 1 225 ? 9.949 -6.021 -4.676 1.00 32.41 ? 566 ARG A C 1 ATOM 1704 O O . ARG A 1 225 ? 9.013 -5.713 -3.926 1.00 30.15 ? 566 ARG A O 1 ATOM 1705 C CB . ARG A 1 225 ? 11.789 -4.411 -4.639 1.00 31.87 ? 566 ARG A CB 1 ATOM 1706 C CG . ARG A 1 225 ? 12.867 -3.841 -3.786 1.00 38.94 ? 566 ARG A CG 1 ATOM 1707 C CD . ARG A 1 225 ? 13.624 -2.750 -4.486 1.00 39.06 ? 566 ARG A CD 1 ATOM 1708 N NE . ARG A 1 225 ? 14.975 -2.746 -3.949 1.00 39.38 ? 566 ARG A NE 1 ATOM 1709 C CZ . ARG A 1 225 ? 16.014 -2.146 -4.508 1.00 43.03 ? 566 ARG A CZ 1 ATOM 1710 N NH1 . ARG A 1 225 ? 15.869 -1.476 -5.651 1.00 36.05 ? 566 ARG A NH1 1 ATOM 1711 N NH2 . ARG A 1 225 ? 17.198 -2.226 -3.912 1.00 37.66 ? 566 ARG A NH2 1 ATOM 1712 N N . GLU A 1 226 ? 9.753 -6.462 -5.918 1.00 32.99 ? 567 GLU A N 1 ATOM 1713 C CA . GLU A 1 226 ? 8.399 -6.634 -6.428 1.00 33.42 ? 567 GLU A CA 1 ATOM 1714 C C . GLU A 1 226 ? 7.660 -7.752 -5.725 1.00 31.41 ? 567 GLU A C 1 ATOM 1715 O O . GLU A 1 226 ? 6.443 -7.863 -5.847 1.00 31.06 ? 567 GLU A O 1 ATOM 1716 C CB . GLU A 1 226 ? 8.380 -6.880 -7.944 1.00 34.58 ? 567 GLU A CB 1 ATOM 1717 C CG . GLU A 1 226 ? 7.703 -5.729 -8.725 1.00 43.80 ? 567 GLU A CG 1 ATOM 1718 C CD . GLU A 1 226 ? 6.217 -5.562 -8.387 1.00 50.65 ? 567 GLU A CD 1 ATOM 1719 O OE1 . GLU A 1 226 ? 5.447 -6.539 -8.568 1.00 52.10 ? 567 GLU A OE1 1 ATOM 1720 O OE2 . GLU A 1 226 ? 5.817 -4.448 -7.949 1.00 52.11 ? 567 GLU A OE2 1 ATOM 1721 N N . ASP A 1 227 ? 8.397 -8.605 -5.030 1.00 30.49 ? 568 ASP A N 1 ATOM 1722 C CA . ASP A 1 227 ? 7.763 -9.711 -4.313 1.00 30.29 ? 568 ASP A CA 1 ATOM 1723 C C . ASP A 1 227 ? 7.187 -9.239 -2.973 1.00 26.67 ? 568 ASP A C 1 ATOM 1724 O O . ASP A 1 227 ? 6.624 -10.028 -2.218 1.00 26.76 ? 568 ASP A O 1 ATOM 1725 C CB . ASP A 1 227 ? 8.753 -10.855 -4.126 1.00 31.21 ? 568 ASP A CB 1 ATOM 1726 C CG . ASP A 1 227 ? 9.094 -11.559 -5.449 1.00 36.55 ? 568 ASP A CG 1 ATOM 1727 O OD1 . ASP A 1 227 ? 8.339 -11.398 -6.429 1.00 35.52 ? 568 ASP A OD1 1 ATOM 1728 O OD2 . ASP A 1 227 ? 10.124 -12.266 -5.507 1.00 41.03 ? 568 ASP A OD2 1 ATOM 1729 N N . PHE A 1 228 ? 7.324 -7.946 -2.698 1.00 25.88 ? 569 PHE A N 1 ATOM 1730 C CA . PHE A 1 228 ? 6.825 -7.374 -1.457 1.00 26.42 ? 569 PHE A CA 1 ATOM 1731 C C . PHE A 1 228 ? 5.835 -6.234 -1.643 1.00 25.43 ? 569 PHE A C 1 ATOM 1732 O O . PHE A 1 228 ? 5.873 -5.510 -2.650 1.00 25.66 ? 569 PHE A O 1 ATOM 1733 C CB . PHE A 1 228 ? 7.992 -6.910 -0.561 1.00 25.31 ? 569 PHE A CB 1 ATOM 1734 C CG . PHE A 1 228 ? 8.907 -8.016 -0.137 1.00 24.54 ? 569 PHE A CG 1 ATOM 1735 C CD1 . PHE A 1 228 ? 8.628 -8.793 1.000 1.00 22.95 ? 569 PHE A CD1 1 ATOM 1736 C CD2 . PHE A 1 228 ? 10.034 -8.294 -0.866 1.00 20.81 ? 569 PHE A CD2 1 ATOM 1737 C CE1 . PHE A 1 228 ? 9.482 -9.807 1.389 1.00 28.48 ? 569 PHE A CE1 1 ATOM 1738 C CE2 . PHE A 1 228 ? 10.900 -9.324 -0.487 1.00 30.69 ? 569 PHE A CE2 1 ATOM 1739 C CZ . PHE A 1 228 ? 10.630 -10.084 0.646 1.00 23.49 ? 569 PHE A CZ 1 ATOM 1740 N N . ARG A 1 229 ? 4.973 -6.082 -0.635 1.00 25.17 ? 570 ARG A N 1 ATOM 1741 C CA . ARG A 1 229 ? 4.003 -4.982 -0.522 1.00 24.73 ? 570 ARG A CA 1 ATOM 1742 C C . ARG A 1 229 ? 4.004 -4.363 0.877 1.00 24.33 ? 570 ARG A C 1 ATOM 1743 O O . ARG A 1 229 ? 4.170 -5.062 1.871 1.00 21.90 ? 570 ARG A O 1 ATOM 1744 C CB . ARG A 1 229 ? 2.585 -5.473 -0.821 1.00 25.24 ? 570 ARG A CB 1 ATOM 1745 C CG . ARG A 1 229 ? 2.381 -5.894 -2.269 1.00 27.68 ? 570 ARG A CG 1 ATOM 1746 C CD . ARG A 1 229 ? 2.459 -4.692 -3.188 1.00 36.88 ? 570 ARG A CD 1 ATOM 1747 N NE . ARG A 1 229 ? 2.160 -5.052 -4.570 1.00 40.99 ? 570 ARG A NE 1 ATOM 1748 C CZ . ARG A 1 229 ? 3.076 -5.286 -5.496 1.00 37.85 ? 570 ARG A CZ 1 ATOM 1749 N NH1 . ARG A 1 229 ? 4.368 -5.184 -5.197 1.00 39.73 ? 570 ARG A NH1 1 ATOM 1750 N NH2 . ARG A 1 229 ? 2.699 -5.607 -6.727 1.00 38.18 ? 570 ARG A NH2 1 ATOM 1751 N N . LEU A 1 230 ? 3.790 -3.049 0.922 1.00 24.49 ? 571 LEU A N 1 ATOM 1752 C CA . LEU A 1 230 ? 3.534 -2.309 2.149 1.00 23.64 ? 571 LEU A CA 1 ATOM 1753 C C . LEU A 1 230 ? 2.050 -2.290 2.487 1.00 23.92 ? 571 LEU A C 1 ATOM 1754 O O . LEU A 1 230 ? 1.200 -2.154 1.597 1.00 24.84 ? 571 LEU A O 1 ATOM 1755 C CB . LEU A 1 230 ? 4.033 -0.873 1.988 1.00 22.26 ? 571 LEU A CB 1 ATOM 1756 C CG . LEU A 1 230 ? 5.467 -0.722 1.516 1.00 23.94 ? 571 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 230 ? 5.838 0.758 1.416 1.00 25.53 ? 571 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 230 ? 6.396 -1.458 2.482 1.00 20.85 ? 571 LEU A CD2 1 ATOM 1759 N N . LEU A 1 231 ? 1.728 -2.406 3.769 1.00 23.05 ? 572 LEU A N 1 ATOM 1760 C CA . LEU A 1 231 ? 0.346 -2.245 4.196 1.00 24.55 ? 572 LEU A CA 1 ATOM 1761 C C . LEU A 1 231 ? 0.109 -0.815 4.647 1.00 26.27 ? 572 LEU A C 1 ATOM 1762 O O . LEU A 1 231 ? 0.821 -0.302 5.504 1.00 25.85 ? 572 LEU A O 1 ATOM 1763 C CB . LEU A 1 231 ? -0.014 -3.193 5.318 1.00 22.24 ? 572 LEU A CB 1 ATOM 1764 C CG . LEU A 1 231 ? 0.258 -4.673 5.099 1.00 31.10 ? 572 LEU A CG 1 ATOM 1765 C CD1 . LEU A 1 231 ? -0.180 -5.447 6.354 1.00 28.19 ? 572 LEU A CD1 1 ATOM 1766 C CD2 . LEU A 1 231 ? -0.478 -5.179 3.842 1.00 33.28 ? 572 LEU A CD2 1 ATOM 1767 N N . CYS A 1 232 ? -0.889 -0.167 4.042 1.00 28.25 ? 573 CYS A N 1 ATOM 1768 C CA . CYS A 1 232 ? -1.252 1.191 4.395 1.00 26.56 ? 573 CYS A CA 1 ATOM 1769 C C . CYS A 1 232 ? -2.388 1.166 5.364 1.00 28.35 ? 573 CYS A C 1 ATOM 1770 O O . CYS A 1 232 ? -3.146 0.184 5.445 1.00 30.83 ? 573 CYS A O 1 ATOM 1771 C CB . CYS A 1 232 ? -1.639 2.006 3.164 1.00 26.40 ? 573 CYS A CB 1 ATOM 1772 S SG . CYS A 1 232 ? -0.696 1.593 1.696 1.00 29.31 ? 573 CYS A SG 1 ATOM 1773 N N . LEU A 1 233 ? -2.512 2.250 6.119 1.00 27.43 ? 574 LEU A N 1 ATOM 1774 C CA . LEU A 1 233 ? -3.493 2.309 7.195 1.00 31.20 ? 574 LEU A CA 1 ATOM 1775 C C . LEU A 1 233 ? -4.924 2.353 6.638 1.00 32.46 ? 574 LEU A C 1 ATOM 1776 O O . LEU A 1 233 ? -5.854 1.911 7.295 1.00 35.61 ? 574 LEU A O 1 ATOM 1777 C CB . LEU A 1 233 ? -3.214 3.514 8.114 1.00 31.15 ? 574 LEU A CB 1 ATOM 1778 C CG . LEU A 1 233 ? -2.046 3.353 9.099 1.00 26.70 ? 574 LEU A CG 1 ATOM 1779 C CD1 . LEU A 1 233 ? -1.803 4.646 9.881 1.00 27.83 ? 574 LEU A CD1 1 ATOM 1780 C CD2 . LEU A 1 233 ? -2.299 2.174 10.023 1.00 35.41 ? 574 LEU A CD2 1 ATOM 1781 N N . ASP A 1 234 ? -5.088 2.827 5.406 1.00 33.55 ? 575 ASP A N 1 ATOM 1782 C CA . ASP A 1 234 ? -6.426 2.825 4.781 1.00 34.26 ? 575 ASP A CA 1 ATOM 1783 C C . ASP A 1 234 ? -6.899 1.472 4.199 1.00 34.90 ? 575 ASP A C 1 ATOM 1784 O O . ASP A 1 234 ? -7.820 1.451 3.383 1.00 35.40 ? 575 ASP A O 1 ATOM 1785 C CB . ASP A 1 234 ? -6.501 3.897 3.696 1.00 32.78 ? 575 ASP A CB 1 ATOM 1786 C CG . ASP A 1 234 ? -5.526 3.648 2.558 1.00 35.19 ? 575 ASP A CG 1 ATOM 1787 O OD1 . ASP A 1 234 ? -4.705 2.707 2.642 1.00 38.46 ? 575 ASP A OD1 1 ATOM 1788 O OD2 . ASP A 1 234 ? -5.561 4.409 1.578 1.00 36.85 ? 575 ASP A OD2 1 ATOM 1789 N N . GLY A 1 235 ? -6.272 0.358 4.589 1.00 33.43 ? 576 GLY A N 1 ATOM 1790 C CA . GLY A 1 235 ? -6.664 -0.956 4.094 1.00 30.97 ? 576 GLY A CA 1 ATOM 1791 C C . GLY A 1 235 ? -6.115 -1.289 2.720 1.00 32.10 ? 576 GLY A C 1 ATOM 1792 O O . GLY A 1 235 ? -6.351 -2.358 2.181 1.00 34.66 ? 576 GLY A O 1 ATOM 1793 N N . THR A 1 236 ? -5.337 -0.383 2.165 1.00 32.19 ? 577 THR A N 1 ATOM 1794 C CA . THR A 1 236 ? -4.727 -0.584 0.857 1.00 32.35 ? 577 THR A CA 1 ATOM 1795 C C . THR A 1 236 ? -3.339 -1.299 0.920 1.00 31.43 ? 577 THR A C 1 ATOM 1796 O O . THR A 1 236 ? -2.734 -1.376 1.986 1.00 31.16 ? 577 THR A O 1 ATOM 1797 C CB . THR A 1 236 ? -4.643 0.812 0.203 1.00 33.23 ? 577 THR A CB 1 ATOM 1798 O OG1 . THR A 1 236 ? -5.757 0.970 -0.690 1.00 38.02 ? 577 THR A OG1 1 ATOM 1799 C CG2 . THR A 1 236 ? -3.357 1.030 -0.518 1.00 35.06 ? 577 THR A CG2 1 ATOM 1800 N N . ARG A 1 237 ? -2.864 -1.824 -0.212 1.00 28.07 ? 578 ARG A N 1 ATOM 1801 C CA . ARG A 1 237 ? -1.517 -2.391 -0.350 1.00 29.67 ? 578 ARG A CA 1 ATOM 1802 C C . ARG A 1 237 ? -0.796 -1.653 -1.475 1.00 30.18 ? 578 ARG A C 1 ATOM 1803 O O . ARG A 1 237 ? -1.336 -1.492 -2.566 1.00 32.30 ? 578 ARG A O 1 ATOM 1804 C CB . ARG A 1 237 ? -1.556 -3.884 -0.745 1.00 27.46 ? 578 ARG A CB 1 ATOM 1805 C CG . ARG A 1 237 ? -2.051 -4.844 0.316 1.00 28.15 ? 578 ARG A CG 1 ATOM 1806 C CD . ARG A 1 237 ? -2.661 -6.084 -0.312 1.00 31.58 ? 578 ARG A CD 1 ATOM 1807 N NE . ARG A 1 237 ? -1.736 -6.907 -1.100 1.00 30.10 ? 578 ARG A NE 1 ATOM 1808 C CZ . ARG A 1 237 ? -1.134 -8.017 -0.663 1.00 29.17 ? 578 ARG A CZ 1 ATOM 1809 N NH1 . ARG A 1 237 ? -1.332 -8.455 0.570 1.00 30.16 ? 578 ARG A NH1 1 ATOM 1810 N NH2 . ARG A 1 237 ? -0.354 -8.711 -1.479 1.00 31.63 ? 578 ARG A NH2 1 ATOM 1811 N N . LYS A 1 238 ? 0.432 -1.238 -1.230 1.00 29.06 ? 579 LYS A N 1 ATOM 1812 C CA . LYS A 1 238 ? 1.211 -0.532 -2.228 1.00 28.92 ? 579 LYS A CA 1 ATOM 1813 C C . LYS A 1 238 ? 2.575 -1.173 -2.452 1.00 29.46 ? 579 LYS A C 1 ATOM 1814 O O . LYS A 1 238 ? 3.070 -1.927 -1.601 1.00 28.74 ? 579 LYS A O 1 ATOM 1815 C CB . LYS A 1 238 ? 1.345 0.947 -1.845 1.00 27.37 ? 579 LYS A CB 1 ATOM 1816 C CG . LYS A 1 238 ? 0.094 1.763 -2.232 1.00 31.25 ? 579 LYS A CG 1 ATOM 1817 C CD . LYS A 1 238 ? 0.011 3.093 -1.515 1.00 35.12 ? 579 LYS A CD 1 ATOM 1818 C CE . LYS A 1 238 ? -1.087 3.973 -2.080 1.00 42.23 ? 579 LYS A CE 1 ATOM 1819 N NZ . LYS A 1 238 ? -2.448 3.352 -1.895 1.00 46.15 ? 579 LYS A NZ 1 ATOM 1820 N N . PRO A 1 239 ? 3.160 -0.932 -3.635 1.00 30.72 ? 580 PRO A N 1 ATOM 1821 C CA . PRO A 1 239 ? 4.575 -1.218 -3.873 1.00 30.18 ? 580 PRO A CA 1 ATOM 1822 C C . PRO A 1 239 ? 5.482 -0.456 -2.917 1.00 29.41 ? 580 PRO A C 1 ATOM 1823 O O . PRO A 1 239 ? 5.093 0.589 -2.369 1.00 25.79 ? 580 PRO A O 1 ATOM 1824 C CB . PRO A 1 239 ? 4.798 -0.725 -5.304 1.00 32.23 ? 580 PRO A CB 1 ATOM 1825 C CG . PRO A 1 239 ? 3.411 -0.849 -5.938 1.00 33.26 ? 580 PRO A CG 1 ATOM 1826 C CD . PRO A 1 239 ? 2.474 -0.450 -4.852 1.00 32.44 ? 580 PRO A CD 1 ATOM 1827 N N . VAL A 1 240 ? 6.693 -0.974 -2.763 1.00 29.56 ? 581 VAL A N 1 ATOM 1828 C CA . VAL A 1 240 ? 7.623 -0.493 -1.758 1.00 32.31 ? 581 VAL A CA 1 ATOM 1829 C C . VAL A 1 240 ? 8.199 0.848 -2.199 1.00 32.64 ? 581 VAL A C 1 ATOM 1830 O O . VAL A 1 240 ? 8.842 1.558 -1.433 1.00 33.14 ? 581 VAL A O 1 ATOM 1831 C CB . VAL A 1 240 ? 8.724 -1.564 -1.432 1.00 31.81 ? 581 VAL A CB 1 ATOM 1832 C CG1 . VAL A 1 240 ? 8.072 -2.895 -1.082 1.00 31.36 ? 581 VAL A CG1 1 ATOM 1833 C CG2 . VAL A 1 240 ? 9.718 -1.750 -2.565 1.00 30.72 ? 581 VAL A CG2 1 ATOM 1834 N N . THR A 1 241 ? 7.912 1.211 -3.442 1.00 32.82 ? 582 THR A N 1 ATOM 1835 C CA . THR A 1 241 ? 8.333 2.502 -3.983 1.00 32.41 ? 582 THR A CA 1 ATOM 1836 C C . THR A 1 241 ? 7.477 3.644 -3.434 1.00 30.80 ? 582 THR A C 1 ATOM 1837 O O . THR A 1 241 ? 7.817 4.811 -3.584 1.00 33.20 ? 582 THR A O 1 ATOM 1838 C CB . THR A 1 241 ? 8.215 2.480 -5.520 1.00 31.08 ? 582 THR A CB 1 ATOM 1839 O OG1 . THR A 1 241 ? 7.005 1.816 -5.869 1.00 33.14 ? 582 THR A OG1 1 ATOM 1840 C CG2 . THR A 1 241 ? 9.346 1.699 -6.116 1.00 34.74 ? 582 THR A CG2 1 ATOM 1841 N N . GLU A 1 242 ? 6.372 3.291 -2.788 1.00 29.81 ? 583 GLU A N 1 ATOM 1842 C CA . GLU A 1 242 ? 5.358 4.253 -2.369 1.00 30.58 ? 583 GLU A CA 1 ATOM 1843 C C . GLU A 1 242 ? 5.321 4.443 -0.856 1.00 27.73 ? 583 GLU A C 1 ATOM 1844 O O . GLU A 1 242 ? 4.285 4.761 -0.306 1.00 27.44 ? 583 GLU A O 1 ATOM 1845 C CB . GLU A 1 242 ? 3.976 3.800 -2.857 1.00 32.32 ? 583 GLU A CB 1 ATOM 1846 C CG . GLU A 1 242 ? 3.361 4.666 -3.948 1.00 42.84 ? 583 GLU A CG 1 ATOM 1847 C CD . GLU A 1 242 ? 4.100 4.584 -5.256 1.00 50.04 ? 583 GLU A CD 1 ATOM 1848 O OE1 . GLU A 1 242 ? 5.342 4.590 -5.250 1.00 57.37 ? 583 GLU A OE1 1 ATOM 1849 O OE2 . GLU A 1 242 ? 3.439 4.516 -6.311 1.00 61.60 ? 583 GLU A OE2 1 ATOM 1850 N N . ALA A 1 243 ? 6.455 4.261 -0.187 1.00 26.88 ? 584 ALA A N 1 ATOM 1851 C CA . ALA A 1 243 ? 6.503 4.398 1.262 1.00 27.01 ? 584 ALA A CA 1 ATOM 1852 C C . ALA A 1 243 ? 6.141 5.819 1.759 1.00 27.46 ? 584 ALA A C 1 ATOM 1853 O O . ALA A 1 243 ? 5.610 5.978 2.851 1.00 26.24 ? 584 ALA A O 1 ATOM 1854 C CB . ALA A 1 243 ? 7.872 3.962 1.783 1.00 27.18 ? 584 ALA A CB 1 ATOM 1855 N N . GLN A 1 244 ? 6.392 6.842 0.941 1.00 27.83 ? 585 GLN A N 1 ATOM 1856 C CA . GLN A 1 244 ? 6.066 8.210 1.341 1.00 30.22 ? 585 GLN A CA 1 ATOM 1857 C C . GLN A 1 244 ? 4.554 8.355 1.513 1.00 28.06 ? 585 GLN A C 1 ATOM 1858 O O . GLN A 1 244 ? 4.100 9.197 2.250 1.00 27.27 ? 585 GLN A O 1 ATOM 1859 C CB . GLN A 1 244 ? 6.634 9.236 0.345 1.00 31.69 ? 585 GLN A CB 1 ATOM 1860 C CG . GLN A 1 244 ? 6.927 10.637 0.917 1.00 40.44 ? 585 GLN A CG 1 ATOM 1861 C CD . GLN A 1 244 ? 7.811 10.629 2.169 1.00 48.67 ? 585 GLN A CD 1 ATOM 1862 O OE1 . GLN A 1 244 ? 7.366 11.012 3.253 1.00 50.44 ? 585 GLN A OE1 1 ATOM 1863 N NE2 . GLN A 1 244 ? 9.064 10.191 2.021 1.00 55.30 ? 585 GLN A NE2 1 ATOM 1864 N N . SER A 1 245 ? 3.773 7.521 0.834 1.00 29.04 ? 586 SER A N 1 ATOM 1865 C CA . SER A 1 245 ? 2.331 7.585 0.991 1.00 30.21 ? 586 SER A CA 1 ATOM 1866 C C . SER A 1 245 ? 1.740 6.358 1.687 1.00 29.48 ? 586 SER A C 1 ATOM 1867 O O . SER A 1 245 ? 0.540 6.244 1.836 1.00 29.13 ? 586 SER A O 1 ATOM 1868 C CB . SER A 1 245 ? 1.632 7.870 -0.360 1.00 32.62 ? 586 SER A CB 1 ATOM 1869 O OG . SER A 1 245 ? 2.055 6.992 -1.399 1.00 32.72 ? 586 SER A OG 1 ATOM 1870 N N . CYS A 1 246 ? 2.588 5.436 2.135 1.00 27.77 ? 587 CYS A N 1 ATOM 1871 C CA . CYS A 1 246 ? 2.086 4.222 2.760 1.00 26.27 ? 587 CYS A CA 1 ATOM 1872 C C . CYS A 1 246 ? 2.961 3.747 3.950 1.00 27.64 ? 587 CYS A C 1 ATOM 1873 O O . CYS A 1 246 ? 3.502 2.646 3.938 1.00 27.77 ? 587 CYS A O 1 ATOM 1874 C CB . CYS A 1 246 ? 1.949 3.138 1.693 1.00 27.84 ? 587 CYS A CB 1 ATOM 1875 S SG . CYS A 1 246 ? 1.280 1.576 2.262 1.00 29.05 ? 587 CYS A SG 1 ATOM 1876 N N . HIS A 1 247 ? 3.079 4.591 4.972 1.00 26.95 ? 588 HIS A N 1 ATOM 1877 C CA . HIS A 1 247 ? 3.831 4.265 6.186 1.00 26.48 ? 588 HIS A CA 1 ATOM 1878 C C . HIS A 1 247 ? 2.941 4.414 7.429 1.00 27.29 ? 588 HIS A C 1 ATOM 1879 O O . HIS A 1 247 ? 1.842 5.017 7.386 1.00 24.97 ? 588 HIS A O 1 ATOM 1880 C CB . HIS A 1 247 ? 5.052 5.181 6.323 1.00 25.64 ? 588 HIS A CB 1 ATOM 1881 C CG . HIS A 1 247 ? 4.714 6.629 6.203 1.00 27.43 ? 588 HIS A CG 1 ATOM 1882 N ND1 . HIS A 1 247 ? 4.814 7.314 5.011 1.00 25.87 ? 588 HIS A ND1 1 ATOM 1883 C CD2 . HIS A 1 247 ? 4.196 7.504 7.099 1.00 25.19 ? 588 HIS A CD2 1 ATOM 1884 C CE1 . HIS A 1 247 ? 4.420 8.560 5.188 1.00 27.95 ? 588 HIS A CE1 1 ATOM 1885 N NE2 . HIS A 1 247 ? 4.040 8.702 6.443 1.00 27.93 ? 588 HIS A NE2 1 ATOM 1886 N N . LEU A 1 248 ? 3.426 3.877 8.548 1.00 25.08 ? 589 LEU A N 1 ATOM 1887 C CA . LEU A 1 248 ? 2.667 3.923 9.776 1.00 24.44 ? 589 LEU A CA 1 ATOM 1888 C C . LEU A 1 248 ? 3.011 5.154 10.591 1.00 25.48 ? 589 LEU A C 1 ATOM 1889 O O . LEU A 1 248 ? 2.160 5.645 11.334 1.00 27.84 ? 589 LEU A O 1 ATOM 1890 C CB . LEU A 1 248 ? 2.867 2.674 10.620 1.00 24.15 ? 589 LEU A CB 1 ATOM 1891 C CG . LEU A 1 248 ? 2.753 1.306 9.953 1.00 27.39 ? 589 LEU A CG 1 ATOM 1892 C CD1 . LEU A 1 248 ? 3.093 0.219 10.985 1.00 24.52 ? 589 LEU A CD1 1 ATOM 1893 C CD2 . LEU A 1 248 ? 1.375 1.090 9.360 1.00 24.30 ? 589 LEU A CD2 1 ATOM 1894 N N . ALA A 1 249 ? 4.248 5.628 10.483 1.00 23.17 ? 590 ALA A N 1 ATOM 1895 C CA . ALA A 1 249 ? 4.687 6.846 11.163 1.00 23.17 ? 590 ALA A CA 1 ATOM 1896 C C . ALA A 1 249 ? 6.015 7.261 10.597 1.00 22.64 ? 590 ALA A C 1 ATOM 1897 O O . ALA A 1 249 ? 6.650 6.480 9.890 1.00 23.54 ? 590 ALA A O 1 ATOM 1898 C CB . ALA A 1 249 ? 4.842 6.592 12.692 1.00 23.84 ? 590 ALA A CB 1 ATOM 1899 N N . VAL A 1 250 ? 6.450 8.481 10.900 1.00 23.26 ? 591 VAL A N 1 ATOM 1900 C CA . VAL A 1 250 ? 7.857 8.799 10.743 1.00 26.02 ? 591 VAL A CA 1 ATOM 1901 C C . VAL A 1 250 ? 8.543 8.698 12.118 1.00 24.80 ? 591 VAL A C 1 ATOM 1902 O O . VAL A 1 250 ? 8.029 9.183 13.121 1.00 25.16 ? 591 VAL A O 1 ATOM 1903 C CB . VAL A 1 250 ? 8.135 10.104 9.925 1.00 30.38 ? 591 VAL A CB 1 ATOM 1904 C CG1 . VAL A 1 250 ? 6.919 11.011 9.872 1.00 36.30 ? 591 VAL A CG1 1 ATOM 1905 C CG2 . VAL A 1 250 ? 9.400 10.843 10.401 1.00 31.73 ? 591 VAL A CG2 1 ATOM 1906 N N . ALA A 1 251 ? 9.666 7.988 12.168 1.00 24.00 ? 592 ALA A N 1 ATOM 1907 C CA . ALA A 1 251 ? 10.395 7.743 13.431 1.00 21.40 ? 592 ALA A CA 1 ATOM 1908 C C . ALA A 1 251 ? 11.597 8.691 13.605 1.00 21.87 ? 592 ALA A C 1 ATOM 1909 O O . ALA A 1 251 ? 12.314 8.960 12.645 1.00 21.78 ? 592 ALA A O 1 ATOM 1910 C CB . ALA A 1 251 ? 10.897 6.325 13.430 1.00 21.84 ? 592 ALA A CB 1 ATOM 1911 N N . PRO A 1 252 ? 11.881 9.132 14.846 1.00 24.05 ? 593 PRO A N 1 ATOM 1912 C CA . PRO A 1 252 ? 13.145 9.865 15.035 1.00 21.85 ? 593 PRO A CA 1 ATOM 1913 C C . PRO A 1 252 ? 14.384 8.963 14.864 1.00 23.40 ? 593 PRO A C 1 ATOM 1914 O O . PRO A 1 252 ? 14.381 7.769 15.237 1.00 20.36 ? 593 PRO A O 1 ATOM 1915 C CB . PRO A 1 252 ? 13.035 10.430 16.466 1.00 23.32 ? 593 PRO A CB 1 ATOM 1916 C CG . PRO A 1 252 ? 12.034 9.566 17.153 1.00 24.57 ? 593 PRO A CG 1 ATOM 1917 C CD . PRO A 1 252 ? 11.118 8.973 16.098 1.00 21.95 ? 593 PRO A CD 1 ATOM 1918 N N . ASN A 1 253 ? 15.440 9.513 14.267 1.00 19.88 ? 594 ASN A N 1 ATOM 1919 C CA . ASN A 1 253 ? 16.627 8.704 14.022 1.00 21.83 ? 594 ASN A CA 1 ATOM 1920 C C . ASN A 1 253 ? 17.206 8.137 15.347 1.00 21.79 ? 594 ASN A C 1 ATOM 1921 O O . ASN A 1 253 ? 16.961 8.696 16.450 1.00 20.91 ? 594 ASN A O 1 ATOM 1922 C CB . ASN A 1 253 ? 17.679 9.498 13.241 1.00 21.61 ? 594 ASN A CB 1 ATOM 1923 C CG . ASN A 1 253 ? 17.283 9.751 11.778 1.00 27.36 ? 594 ASN A CG 1 ATOM 1924 O OD1 . ASN A 1 253 ? 16.406 9.091 11.226 1.00 34.78 ? 594 ASN A OD1 1 ATOM 1925 N ND2 . ASN A 1 253 ? 17.939 10.719 11.154 1.00 36.21 ? 594 ASN A ND2 1 ATOM 1926 N N . HIS A 1 254 ? 17.887 6.994 15.237 1.00 19.33 ? 595 HIS A N 1 ATOM 1927 C CA . HIS A 1 254 ? 18.702 6.493 16.318 1.00 19.34 ? 595 HIS A CA 1 ATOM 1928 C C . HIS A 1 254 ? 19.734 7.579 16.650 1.00 18.61 ? 595 HIS A C 1 ATOM 1929 O O . HIS A 1 254 ? 20.178 8.336 15.781 1.00 19.91 ? 595 HIS A O 1 ATOM 1930 C CB . HIS A 1 254 ? 19.383 5.164 15.933 1.00 18.79 ? 595 HIS A CB 1 ATOM 1931 C CG . HIS A 1 254 ? 18.411 4.022 15.747 1.00 17.81 ? 595 HIS A CG 1 ATOM 1932 N ND1 . HIS A 1 254 ? 18.802 2.706 15.684 1.00 19.15 ? 595 HIS A ND1 1 ATOM 1933 C CD2 . HIS A 1 254 ? 17.070 4.020 15.572 1.00 14.57 ? 595 HIS A CD2 1 ATOM 1934 C CE1 . HIS A 1 254 ? 17.743 1.931 15.500 1.00 17.25 ? 595 HIS A CE1 1 ATOM 1935 N NE2 . HIS A 1 254 ? 16.678 2.702 15.434 1.00 20.54 ? 595 HIS A NE2 1 ATOM 1936 N N . ALA A 1 255 ? 20.131 7.614 17.911 1.00 18.46 ? 596 ALA A N 1 ATOM 1937 C CA . ALA A 1 255 ? 20.990 8.679 18.430 1.00 18.50 ? 596 ALA A CA 1 ATOM 1938 C C . ALA A 1 255 ? 21.829 8.097 19.567 1.00 18.74 ? 596 ALA A C 1 ATOM 1939 O O . ALA A 1 255 ? 21.400 7.184 20.299 1.00 20.05 ? 596 ALA A O 1 ATOM 1940 C CB . ALA A 1 255 ? 20.103 9.878 18.945 1.00 14.95 ? 596 ALA A CB 1 ATOM 1941 N N . VAL A 1 256 ? 23.040 8.623 19.691 1.00 19.79 ? 597 VAL A N 1 ATOM 1942 C CA . VAL A 1 256 ? 23.908 8.338 20.811 1.00 20.69 ? 597 VAL A CA 1 ATOM 1943 C C . VAL A 1 256 ? 23.403 8.999 22.077 1.00 21.72 ? 597 VAL A C 1 ATOM 1944 O O . VAL A 1 256 ? 23.040 10.184 22.079 1.00 21.52 ? 597 VAL A O 1 ATOM 1945 C CB . VAL A 1 256 ? 25.328 8.830 20.496 1.00 22.69 ? 597 VAL A CB 1 ATOM 1946 C CG1 . VAL A 1 256 ? 26.298 8.577 21.678 1.00 20.92 ? 597 VAL A CG1 1 ATOM 1947 C CG2 . VAL A 1 256 ? 25.794 8.164 19.226 1.00 20.23 ? 597 VAL A CG2 1 ATOM 1948 N N . VAL A 1 257 ? 23.352 8.234 23.162 1.00 19.97 ? 598 VAL A N 1 ATOM 1949 C CA . VAL A 1 257 ? 22.998 8.834 24.435 1.00 21.02 ? 598 VAL A CA 1 ATOM 1950 C C . VAL A 1 257 ? 24.128 8.685 25.460 1.00 21.04 ? 598 VAL A C 1 ATOM 1951 O O . VAL A 1 257 ? 24.977 7.799 25.368 1.00 19.77 ? 598 VAL A O 1 ATOM 1952 C CB . VAL A 1 257 ? 21.695 8.249 25.035 1.00 22.96 ? 598 VAL A CB 1 ATOM 1953 C CG1 . VAL A 1 257 ? 20.504 8.360 24.041 1.00 21.07 ? 598 VAL A CG1 1 ATOM 1954 C CG2 . VAL A 1 257 ? 21.933 6.787 25.469 1.00 24.54 ? 598 VAL A CG2 1 ATOM 1955 N N . SER A 1 258 ? 24.125 9.565 26.447 1.00 21.65 ? 599 SER A N 1 ATOM 1956 C CA . SER A 1 258 ? 25.059 9.437 27.534 1.00 22.98 ? 599 SER A CA 1 ATOM 1957 C C . SER A 1 258 ? 24.488 10.110 28.752 1.00 23.87 ? 599 SER A C 1 ATOM 1958 O O . SER A 1 258 ? 23.494 10.822 28.659 1.00 24.99 ? 599 SER A O 1 ATOM 1959 C CB . SER A 1 258 ? 26.407 10.067 27.174 1.00 21.80 ? 599 SER A CB 1 ATOM 1960 O OG . SER A 1 258 ? 26.325 11.470 27.255 1.00 25.39 ? 599 SER A OG 1 ATOM 1961 N N . ARG A 1 259 ? 25.125 9.887 29.900 1.00 22.99 ? 600 ARG A N 1 ATOM 1962 C CA . ARG A 1 259 ? 24.813 10.669 31.085 1.00 24.84 ? 600 ARG A CA 1 ATOM 1963 C C . ARG A 1 259 ? 25.046 12.148 30.827 1.00 23.51 ? 600 ARG A C 1 ATOM 1964 O O . ARG A 1 259 ? 26.010 12.519 30.172 1.00 21.37 ? 600 ARG A O 1 ATOM 1965 C CB . ARG A 1 259 ? 25.653 10.198 32.283 1.00 23.47 ? 600 ARG A CB 1 ATOM 1966 C CG . ARG A 1 259 ? 24.824 9.469 33.276 1.00 26.16 ? 600 ARG A CG 1 ATOM 1967 C CD . ARG A 1 259 ? 25.609 8.799 34.383 1.00 32.01 ? 600 ARG A CD 1 ATOM 1968 N NE . ARG A 1 259 ? 26.518 9.683 35.103 1.00 25.60 ? 600 ARG A NE 1 ATOM 1969 C CZ . ARG A 1 259 ? 27.148 9.312 36.208 1.00 30.53 ? 600 ARG A CZ 1 ATOM 1970 N NH1 . ARG A 1 259 ? 26.929 8.095 36.702 1.00 25.29 ? 600 ARG A NH1 1 ATOM 1971 N NH2 . ARG A 1 259 ? 27.979 10.144 36.822 1.00 22.08 ? 600 ARG A NH2 1 ATOM 1972 N N . SER A 1 260 ? 24.152 12.993 31.336 1.00 24.62 ? 601 SER A N 1 ATOM 1973 C CA . SER A 1 260 ? 24.267 14.414 31.055 1.00 28.93 ? 601 SER A CA 1 ATOM 1974 C C . SER A 1 260 ? 25.628 14.972 31.437 1.00 26.83 ? 601 SER A C 1 ATOM 1975 O O . SER A 1 260 ? 26.191 15.798 30.725 1.00 27.37 ? 601 SER A O 1 ATOM 1976 C CB . SER A 1 260 ? 23.199 15.235 31.782 1.00 31.35 ? 601 SER A CB 1 ATOM 1977 O OG . SER A 1 260 ? 23.613 16.597 31.766 1.00 33.02 ? 601 SER A OG 1 ATOM 1978 N N . ASP A 1 261 ? 26.168 14.514 32.557 1.00 26.95 ? 602 ASP A N 1 ATOM 1979 C CA . ASP A 1 261 ? 27.468 15.022 33.017 1.00 27.27 ? 602 ASP A CA 1 ATOM 1980 C C . ASP A 1 261 ? 28.672 14.616 32.136 1.00 27.43 ? 602 ASP A C 1 ATOM 1981 O O . ASP A 1 261 ? 29.791 15.119 32.323 1.00 24.77 ? 602 ASP A O 1 ATOM 1982 C CB . ASP A 1 261 ? 27.706 14.666 34.501 1.00 27.78 ? 602 ASP A CB 1 ATOM 1983 C CG . ASP A 1 261 ? 27.555 13.138 34.806 1.00 33.27 ? 602 ASP A CG 1 ATOM 1984 O OD1 . ASP A 1 261 ? 26.668 12.457 34.250 1.00 32.12 ? 602 ASP A OD1 1 ATOM 1985 O OD2 . ASP A 1 261 ? 28.329 12.621 35.633 1.00 36.63 ? 602 ASP A OD2 1 ATOM 1986 N N A ARG A 1 262 ? 28.439 13.682 31.208 0.50 26.37 ? 603 ARG A N 1 ATOM 1987 N N B ARG A 1 262 ? 28.455 13.727 31.174 0.50 27.09 ? 603 ARG A N 1 ATOM 1988 C CA A ARG A 1 262 ? 29.494 13.176 30.316 0.50 25.34 ? 603 ARG A CA 1 ATOM 1989 C CA B ARG A 1 262 ? 29.560 13.300 30.319 0.50 26.23 ? 603 ARG A CA 1 ATOM 1990 C C A ARG A 1 262 ? 29.296 13.637 28.866 0.50 25.00 ? 603 ARG A C 1 ATOM 1991 C C B ARG A 1 262 ? 29.281 13.602 28.847 0.50 25.70 ? 603 ARG A C 1 ATOM 1992 O O A ARG A 1 262 ? 30.179 13.456 28.030 0.50 23.48 ? 603 ARG A O 1 ATOM 1993 O O B ARG A 1 262 ? 30.091 13.283 27.978 0.50 23.89 ? 603 ARG A O 1 ATOM 1994 C CB A ARG A 1 262 ? 29.548 11.632 30.352 0.50 26.12 ? 603 ARG A CB 1 ATOM 1995 C CB B ARG A 1 262 ? 29.843 11.810 30.538 0.50 28.50 ? 603 ARG A CB 1 ATOM 1996 C CG A ARG A 1 262 ? 30.175 11.025 31.627 0.50 26.67 ? 603 ARG A CG 1 ATOM 1997 C CG B ARG A 1 262 ? 30.221 11.487 31.996 0.50 29.23 ? 603 ARG A CG 1 ATOM 1998 C CD A ARG A 1 262 ? 31.716 11.231 31.692 0.50 27.70 ? 603 ARG A CD 1 ATOM 1999 C CD B ARG A 1 262 ? 31.714 11.157 32.179 0.50 34.02 ? 603 ARG A CD 1 ATOM 2000 N NE A ARG A 1 262 ? 32.462 10.268 30.875 0.50 22.54 ? 603 ARG A NE 1 ATOM 2001 N NE B ARG A 1 262 ? 32.665 12.263 32.022 0.50 35.04 ? 603 ARG A NE 1 ATOM 2002 C CZ A ARG A 1 262 ? 33.679 10.481 30.364 0.50 25.68 ? 603 ARG A CZ 1 ATOM 2003 C CZ B ARG A 1 262 ? 32.782 13.307 32.842 0.50 37.98 ? 603 ARG A CZ 1 ATOM 2004 N NH1 A ARG A 1 262 ? 34.325 11.626 30.597 0.50 21.21 ? 603 ARG A NH1 1 ATOM 2005 N NH1 B ARG A 1 262 ? 31.966 13.463 33.886 0.50 36.42 ? 603 ARG A NH1 1 ATOM 2006 N NH2 A ARG A 1 262 ? 34.265 9.543 29.621 0.50 21.32 ? 603 ARG A NH2 1 ATOM 2007 N NH2 B ARG A 1 262 ? 33.709 14.219 32.592 0.50 38.43 ? 603 ARG A NH2 1 ATOM 2008 N N . ALA A 1 263 ? 28.129 14.220 28.577 1.00 24.73 ? 604 ALA A N 1 ATOM 2009 C CA . ALA A 1 263 ? 27.715 14.521 27.194 1.00 24.42 ? 604 ALA A CA 1 ATOM 2010 C C . ALA A 1 263 ? 28.782 15.231 26.369 1.00 24.46 ? 604 ALA A C 1 ATOM 2011 O O . ALA A 1 263 ? 29.080 14.827 25.247 1.00 24.59 ? 604 ALA A O 1 ATOM 2012 C CB . ALA A 1 263 ? 26.421 15.309 27.183 1.00 23.09 ? 604 ALA A CB 1 ATOM 2013 N N . ALA A 1 264 ? 29.374 16.277 26.935 1.00 24.40 ? 605 ALA A N 1 ATOM 2014 C CA . ALA A 1 264 ? 30.306 17.124 26.183 1.00 25.95 ? 605 ALA A CA 1 ATOM 2015 C C . ALA A 1 264 ? 31.552 16.377 25.778 1.00 26.67 ? 605 ALA A C 1 ATOM 2016 O O . ALA A 1 264 ? 32.079 16.569 24.690 1.00 26.38 ? 605 ALA A O 1 ATOM 2017 C CB . ALA A 1 264 ? 30.696 18.390 27.020 1.00 26.13 ? 605 ALA A CB 1 ATOM 2018 N N . HIS A 1 265 ? 32.026 15.514 26.669 1.00 27.41 ? 606 HIS A N 1 ATOM 2019 C CA . HIS A 1 265 ? 33.257 14.757 26.430 1.00 28.73 ? 606 HIS A CA 1 ATOM 2020 C C . HIS A 1 265 ? 32.997 13.643 25.407 1.00 27.92 ? 606 HIS A C 1 ATOM 2021 O O . HIS A 1 265 ? 33.825 13.366 24.539 1.00 27.45 ? 606 HIS A O 1 ATOM 2022 C CB . HIS A 1 265 ? 33.738 14.152 27.754 1.00 29.30 ? 606 HIS A CB 1 ATOM 2023 C CG . HIS A 1 265 ? 34.992 13.345 27.630 1.00 44.17 ? 606 HIS A CG 1 ATOM 2024 N ND1 . HIS A 1 265 ? 35.036 11.989 27.883 1.00 51.40 ? 606 HIS A ND1 1 ATOM 2025 C CD2 . HIS A 1 265 ? 36.253 13.706 27.282 1.00 53.74 ? 606 HIS A CD2 1 ATOM 2026 C CE1 . HIS A 1 265 ? 36.270 11.550 27.699 1.00 55.31 ? 606 HIS A CE1 1 ATOM 2027 N NE2 . HIS A 1 265 ? 37.027 12.570 27.331 1.00 58.94 ? 606 HIS A NE2 1 ATOM 2028 N N . VAL A 1 266 ? 31.852 12.985 25.536 1.00 24.73 ? 607 VAL A N 1 ATOM 2029 C CA . VAL A 1 266 ? 31.465 11.964 24.561 1.00 26.53 ? 607 VAL A CA 1 ATOM 2030 C C . VAL A 1 266 ? 31.342 12.584 23.150 1.00 23.35 ? 607 VAL A C 1 ATOM 2031 O O . VAL A 1 266 ? 31.850 12.049 22.186 1.00 24.27 ? 607 VAL A O 1 ATOM 2032 C CB . VAL A 1 266 ? 30.142 11.256 24.993 1.00 25.34 ? 607 VAL A CB 1 ATOM 2033 C CG1 . VAL A 1 266 ? 29.625 10.356 23.887 1.00 26.63 ? 607 VAL A CG1 1 ATOM 2034 C CG2 . VAL A 1 266 ? 30.380 10.469 26.278 1.00 21.75 ? 607 VAL A CG2 1 ATOM 2035 N N . GLU A 1 267 ? 30.702 13.737 23.056 1.00 26.77 ? 608 GLU A N 1 ATOM 2036 C CA . GLU A 1 267 ? 30.545 14.438 21.778 1.00 27.13 ? 608 GLU A CA 1 ATOM 2037 C C . GLU A 1 267 ? 31.882 14.755 21.096 1.00 28.21 ? 608 GLU A C 1 ATOM 2038 O O . GLU A 1 267 ? 32.078 14.450 19.915 1.00 28.31 ? 608 GLU A O 1 ATOM 2039 C CB . GLU A 1 267 ? 29.708 15.699 21.975 1.00 27.65 ? 608 GLU A CB 1 ATOM 2040 C CG . GLU A 1 267 ? 29.535 16.557 20.730 1.00 31.77 ? 608 GLU A CG 1 ATOM 2041 C CD . GLU A 1 267 ? 28.515 17.684 20.940 1.00 37.28 ? 608 GLU A CD 1 ATOM 2042 O OE1 . GLU A 1 267 ? 27.738 17.610 21.915 1.00 52.78 ? 608 GLU A OE1 1 ATOM 2043 O OE2 . GLU A 1 267 ? 28.475 18.642 20.120 1.00 53.08 ? 608 GLU A OE2 1 ATOM 2044 N N . GLN A 1 268 ? 32.800 15.365 21.832 1.00 29.91 ? 609 GLN A N 1 ATOM 2045 C CA . GLN A 1 268 ? 34.097 15.713 21.277 1.00 32.90 ? 609 GLN A CA 1 ATOM 2046 C C . GLN A 1 268 ? 34.863 14.477 20.777 1.00 30.59 ? 609 GLN A C 1 ATOM 2047 O O . GLN A 1 268 ? 35.427 14.464 19.679 1.00 29.88 ? 609 GLN A O 1 ATOM 2048 C CB . GLN A 1 268 ? 34.901 16.499 22.305 1.00 34.30 ? 609 GLN A CB 1 ATOM 2049 C CG . GLN A 1 268 ? 36.382 16.134 22.360 1.00 40.92 ? 609 GLN A CG 1 ATOM 2050 C CD . GLN A 1 268 ? 37.112 16.801 23.533 1.00 43.86 ? 609 GLN A CD 1 ATOM 2051 O OE1 . GLN A 1 268 ? 36.750 17.907 23.972 1.00 54.84 ? 609 GLN A OE1 1 ATOM 2052 N NE2 . GLN A 1 268 ? 38.151 16.136 24.032 1.00 50.70 ? 609 GLN A NE2 1 ATOM 2053 N N . VAL A 1 269 ? 34.858 13.415 21.569 1.00 28.98 ? 610 VAL A N 1 ATOM 2054 C CA . VAL A 1 269 ? 35.532 12.200 21.167 1.00 26.19 ? 610 VAL A CA 1 ATOM 2055 C C . VAL A 1 269 ? 34.935 11.595 19.881 1.00 27.25 ? 610 VAL A C 1 ATOM 2056 O O . VAL A 1 269 ? 35.661 11.263 18.951 1.00 27.16 ? 610 VAL A O 1 ATOM 2057 C CB . VAL A 1 269 ? 35.582 11.194 22.317 1.00 25.74 ? 610 VAL A CB 1 ATOM 2058 C CG1 . VAL A 1 269 ? 35.907 9.783 21.798 1.00 25.84 ? 610 VAL A CG1 1 ATOM 2059 C CG2 . VAL A 1 269 ? 36.618 11.658 23.356 1.00 27.62 ? 610 VAL A CG2 1 ATOM 2060 N N . LEU A 1 270 ? 33.611 11.502 19.824 1.00 25.85 ? 611 LEU A N 1 ATOM 2061 C CA . LEU A 1 270 ? 32.915 10.882 18.706 1.00 25.22 ? 611 LEU A CA 1 ATOM 2062 C C . LEU A 1 270 ? 33.121 11.611 17.383 1.00 26.61 ? 611 LEU A C 1 ATOM 2063 O O . LEU A 1 270 ? 33.281 10.977 16.341 1.00 23.66 ? 611 LEU A O 1 ATOM 2064 C CB . LEU A 1 270 ? 31.426 10.859 19.003 1.00 25.29 ? 611 LEU A CB 1 ATOM 2065 C CG . LEU A 1 270 ? 30.846 9.487 19.315 1.00 28.09 ? 611 LEU A CG 1 ATOM 2066 C CD1 . LEU A 1 270 ? 31.855 8.635 20.002 1.00 29.88 ? 611 LEU A CD1 1 ATOM 2067 C CD2 . LEU A 1 270 ? 29.550 9.685 20.135 1.00 28.07 ? 611 LEU A CD2 1 ATOM 2068 N N . LEU A 1 271 ? 33.067 12.940 17.428 1.00 26.50 ? 612 LEU A N 1 ATOM 2069 C CA . LEU A 1 271 ? 33.347 13.763 16.235 1.00 28.18 ? 612 LEU A CA 1 ATOM 2070 C C . LEU A 1 271 ? 34.769 13.518 15.666 1.00 28.12 ? 612 LEU A C 1 ATOM 2071 O O . LEU A 1 271 ? 34.954 13.497 14.451 1.00 31.91 ? 612 LEU A O 1 ATOM 2072 C CB . LEU A 1 271 ? 33.109 15.253 16.537 1.00 24.67 ? 612 LEU A CB 1 ATOM 2073 C CG . LEU A 1 271 ? 31.655 15.658 16.781 1.00 27.64 ? 612 LEU A CG 1 ATOM 2074 C CD1 . LEU A 1 271 ? 31.561 17.126 17.115 1.00 28.68 ? 612 LEU A CD1 1 ATOM 2075 C CD2 . LEU A 1 271 ? 30.777 15.319 15.564 1.00 30.52 ? 612 LEU A CD2 1 ATOM 2076 N N . HIS A 1 272 ? 35.748 13.299 16.541 1.00 28.28 ? 613 HIS A N 1 ATOM 2077 C CA . HIS A 1 272 ? 37.096 12.947 16.104 1.00 31.10 ? 613 HIS A CA 1 ATOM 2078 C C . HIS A 1 272 ? 37.186 11.511 15.594 1.00 29.89 ? 613 HIS A C 1 ATOM 2079 O O . HIS A 1 272 ? 37.831 11.256 14.585 1.00 30.19 ? 613 HIS A O 1 ATOM 2080 C CB . HIS A 1 272 ? 38.120 13.243 17.205 1.00 31.95 ? 613 HIS A CB 1 ATOM 2081 C CG . HIS A 1 272 ? 39.528 12.885 16.850 1.00 42.38 ? 613 HIS A CG 1 ATOM 2082 N ND1 . HIS A 1 272 ? 40.146 13.324 15.694 1.00 49.92 ? 613 HIS A ND1 1 ATOM 2083 C CD2 . HIS A 1 272 ? 40.449 12.139 17.510 1.00 46.95 ? 613 HIS A CD2 1 ATOM 2084 C CE1 . HIS A 1 272 ? 41.379 12.849 15.651 1.00 47.30 ? 613 HIS A CE1 1 ATOM 2085 N NE2 . HIS A 1 272 ? 41.590 12.134 16.743 1.00 49.84 ? 613 HIS A NE2 1 ATOM 2086 N N . GLN A 1 273 ? 36.512 10.578 16.261 1.00 27.22 ? 614 GLN A N 1 ATOM 2087 C CA . GLN A 1 273 ? 36.450 9.200 15.767 1.00 25.98 ? 614 GLN A CA 1 ATOM 2088 C C . GLN A 1 273 ? 35.842 9.080 14.375 1.00 27.72 ? 614 GLN A C 1 ATOM 2089 O O . GLN A 1 273 ? 36.301 8.278 13.570 1.00 30.48 ? 614 GLN A O 1 ATOM 2090 C CB . GLN A 1 273 ? 35.680 8.297 16.759 1.00 26.46 ? 614 GLN A CB 1 ATOM 2091 C CG . GLN A 1 273 ? 36.451 8.016 18.050 1.00 21.32 ? 614 GLN A CG 1 ATOM 2092 C CD . GLN A 1 273 ? 37.830 7.416 17.792 1.00 24.44 ? 614 GLN A CD 1 ATOM 2093 O OE1 . GLN A 1 273 ? 37.956 6.375 17.142 1.00 25.78 ? 614 GLN A OE1 1 ATOM 2094 N NE2 . GLN A 1 273 ? 38.879 8.082 18.310 1.00 22.95 ? 614 GLN A NE2 1 ATOM 2095 N N . GLN A 1 274 ? 34.792 9.844 14.088 1.00 28.35 ? 615 GLN A N 1 ATOM 2096 C CA . GLN A 1 274 ? 34.186 9.758 12.760 1.00 30.60 ? 615 GLN A CA 1 ATOM 2097 C C . GLN A 1 274 ? 35.020 10.401 11.632 1.00 31.53 ? 615 GLN A C 1 ATOM 2098 O O . GLN A 1 274 ? 34.988 9.951 10.487 1.00 33.71 ? 615 GLN A O 1 ATOM 2099 C CB . GLN A 1 274 ? 32.739 10.229 12.773 1.00 30.55 ? 615 GLN A CB 1 ATOM 2100 C CG . GLN A 1 274 ? 32.475 11.694 12.558 1.00 28.98 ? 615 GLN A CG 1 ATOM 2101 C CD . GLN A 1 274 ? 30.996 11.899 12.425 1.00 33.66 ? 615 GLN A CD 1 ATOM 2102 O OE1 . GLN A 1 274 ? 30.273 10.955 12.115 1.00 33.69 ? 615 GLN A OE1 1 ATOM 2103 N NE2 . GLN A 1 274 ? 30.524 13.100 12.706 1.00 31.66 ? 615 GLN A NE2 1 ATOM 2104 N N . ALA A 1 275 ? 35.790 11.426 11.978 1.00 31.98 ? 616 ALA A N 1 ATOM 2105 C CA . ALA A 1 275 ? 36.774 11.999 11.058 1.00 32.95 ? 616 ALA A CA 1 ATOM 2106 C C . ALA A 1 275 ? 37.797 10.948 10.635 1.00 31.34 ? 616 ALA A C 1 ATOM 2107 O O . ALA A 1 275 ? 38.249 10.950 9.499 1.00 33.35 ? 616 ALA A O 1 ATOM 2108 C CB . ALA A 1 275 ? 37.477 13.209 11.709 1.00 31.26 ? 616 ALA A CB 1 ATOM 2109 N N . LEU A 1 276 ? 38.143 10.045 11.546 1.00 32.40 ? 617 LEU A N 1 ATOM 2110 C CA . LEU A 1 276 ? 39.036 8.918 11.255 1.00 32.93 ? 617 LEU A CA 1 ATOM 2111 C C . LEU A 1 276 ? 38.365 7.693 10.604 1.00 33.55 ? 617 LEU A C 1 ATOM 2112 O O . LEU A 1 276 ? 38.926 7.105 9.682 1.00 35.00 ? 617 LEU A O 1 ATOM 2113 C CB . LEU A 1 276 ? 39.757 8.458 12.528 1.00 32.85 ? 617 LEU A CB 1 ATOM 2114 C CG . LEU A 1 276 ? 40.491 9.534 13.324 1.00 33.43 ? 617 LEU A CG 1 ATOM 2115 C CD1 . LEU A 1 276 ? 41.100 8.945 14.554 1.00 28.98 ? 617 LEU A CD1 1 ATOM 2116 C CD2 . LEU A 1 276 ? 41.552 10.216 12.481 1.00 32.23 ? 617 LEU A CD2 1 ATOM 2117 N N . PHE A 1 277 ? 37.194 7.291 11.101 1.00 33.25 ? 618 PHE A N 1 ATOM 2118 C CA . PHE A 1 277 ? 36.584 6.014 10.695 1.00 31.99 ? 618 PHE A CA 1 ATOM 2119 C C . PHE A 1 277 ? 35.204 6.117 10.057 1.00 30.30 ? 618 PHE A C 1 ATOM 2120 O O . PHE A 1 277 ? 34.636 5.110 9.670 1.00 29.72 ? 618 PHE A O 1 ATOM 2121 C CB . PHE A 1 277 ? 36.531 5.044 11.885 1.00 31.39 ? 618 PHE A CB 1 ATOM 2122 C CG . PHE A 1 277 ? 37.835 4.878 12.573 1.00 32.26 ? 618 PHE A CG 1 ATOM 2123 C CD1 . PHE A 1 277 ? 38.908 4.274 11.914 1.00 28.30 ? 618 PHE A CD1 1 ATOM 2124 C CD2 . PHE A 1 277 ? 38.012 5.351 13.875 1.00 29.68 ? 618 PHE A CD2 1 ATOM 2125 C CE1 . PHE A 1 277 ? 40.134 4.120 12.551 1.00 30.55 ? 618 PHE A CE1 1 ATOM 2126 C CE2 . PHE A 1 277 ? 39.236 5.204 14.516 1.00 35.54 ? 618 PHE A CE2 1 ATOM 2127 C CZ . PHE A 1 277 ? 40.301 4.587 13.851 1.00 32.39 ? 618 PHE A CZ 1 ATOM 2128 N N . GLY A 1 278 ? 34.675 7.330 9.963 1.00 30.98 ? 619 GLY A N 1 ATOM 2129 C CA . GLY A 1 278 ? 33.390 7.565 9.332 1.00 35.31 ? 619 GLY A CA 1 ATOM 2130 C C . GLY A 1 278 ? 33.414 7.427 7.816 1.00 38.37 ? 619 GLY A C 1 ATOM 2131 O O . GLY A 1 278 ? 34.371 6.873 7.237 1.00 37.85 ? 619 GLY A O 1 ATOM 2132 N N . LYS A 1 279 ? 32.368 7.940 7.170 1.00 42.36 ? 620 LYS A N 1 ATOM 2133 C CA . LYS A 1 279 ? 32.159 7.720 5.727 1.00 46.62 ? 620 LYS A CA 1 ATOM 2134 C C . LYS A 1 279 ? 33.338 8.053 4.815 1.00 48.97 ? 620 LYS A C 1 ATOM 2135 O O . LYS A 1 279 ? 33.712 7.242 3.961 1.00 52.36 ? 620 LYS A O 1 ATOM 2136 C CB . LYS A 1 279 ? 30.888 8.404 5.230 1.00 47.48 ? 620 LYS A CB 1 ATOM 2137 C CG . LYS A 1 279 ? 30.537 8.052 3.783 1.00 51.27 ? 620 LYS A CG 1 ATOM 2138 C CD . LYS A 1 279 ? 29.055 7.732 3.626 1.00 56.89 ? 620 LYS A CD 1 ATOM 2139 C CE . LYS A 1 279 ? 28.744 7.220 2.218 1.00 62.28 ? 620 LYS A CE 1 ATOM 2140 N NZ . LYS A 1 279 ? 29.145 8.185 1.144 1.00 59.25 ? 620 LYS A NZ 1 ATOM 2141 N N . ASN A 1 280 ? 33.927 9.235 4.956 1.00 50.49 ? 621 ASN A N 1 ATOM 2142 C CA . ASN A 1 280 ? 35.123 9.518 4.150 1.00 52.07 ? 621 ASN A CA 1 ATOM 2143 C C . ASN A 1 280 ? 36.352 9.618 5.030 1.00 51.16 ? 621 ASN A C 1 ATOM 2144 O O . ASN A 1 280 ? 37.281 10.369 4.731 1.00 51.27 ? 621 ASN A O 1 ATOM 2145 C CB . ASN A 1 280 ? 34.964 10.809 3.345 1.00 54.73 ? 621 ASN A CB 1 ATOM 2146 C CG . ASN A 1 280 ? 33.810 10.751 2.375 1.00 59.32 ? 621 ASN A CG 1 ATOM 2147 O OD1 . ASN A 1 280 ? 32.944 11.628 2.380 1.00 66.51 ? 621 ASN A OD1 1 ATOM 2148 N ND2 . ASN A 1 280 ? 33.779 9.709 1.544 1.00 62.85 ? 621 ASN A ND2 1 ATOM 2149 N N . GLY A 1 281 ? 36.348 8.858 6.121 1.00 48.10 ? 622 GLY A N 1 ATOM 2150 C CA . GLY A 1 281 ? 37.363 8.988 7.139 1.00 45.86 ? 622 GLY A CA 1 ATOM 2151 C C . GLY A 1 281 ? 38.743 8.669 6.620 1.00 44.50 ? 622 GLY A C 1 ATOM 2152 O O . GLY A 1 281 ? 38.904 7.894 5.674 1.00 42.41 ? 622 GLY A O 1 ATOM 2153 N N . LYS A 1 282 ? 39.737 9.271 7.259 1.00 42.77 ? 623 LYS A N 1 ATOM 2154 C CA . LYS A 1 282 ? 41.140 9.073 6.905 1.00 43.22 ? 623 LYS A CA 1 ATOM 2155 C C . LYS A 1 282 ? 41.533 7.608 6.868 1.00 42.77 ? 623 LYS A C 1 ATOM 2156 O O . LYS A 1 282 ? 42.406 7.220 6.088 1.00 40.58 ? 623 LYS A O 1 ATOM 2157 C CB . LYS A 1 282 ? 42.046 9.820 7.893 1.00 43.04 ? 623 LYS A CB 1 ATOM 2158 C CG . LYS A 1 282 ? 41.794 11.328 7.918 1.00 50.18 ? 623 LYS A CG 1 ATOM 2159 C CD . LYS A 1 282 ? 43.071 12.128 7.639 1.00 60.98 ? 623 LYS A CD 1 ATOM 2160 C CE . LYS A 1 282 ? 44.119 11.950 8.743 1.00 67.54 ? 623 LYS A CE 1 ATOM 2161 N NZ . LYS A 1 282 ? 43.607 12.400 10.087 1.00 72.84 ? 623 LYS A NZ 1 ATOM 2162 N N . ASN A 1 283 ? 40.894 6.799 7.714 1.00 41.21 ? 624 ASN A N 1 ATOM 2163 C CA . ASN A 1 283 ? 41.270 5.394 7.860 1.00 41.68 ? 624 ASN A CA 1 ATOM 2164 C C . ASN A 1 283 ? 40.178 4.404 7.524 1.00 41.19 ? 624 ASN A C 1 ATOM 2165 O O . ASN A 1 283 ? 40.327 3.209 7.788 1.00 40.94 ? 624 ASN A O 1 ATOM 2166 C CB . ASN A 1 283 ? 41.728 5.122 9.289 1.00 42.07 ? 624 ASN A CB 1 ATOM 2167 C CG . ASN A 1 283 ? 42.896 5.992 9.699 1.00 47.02 ? 624 ASN A CG 1 ATOM 2168 O OD1 . ASN A 1 283 ? 43.836 6.192 8.921 1.00 53.75 ? 624 ASN A OD1 1 ATOM 2169 N ND2 . ASN A 1 283 ? 42.847 6.519 10.921 1.00 47.19 ? 624 ASN A ND2 1 ATOM 2170 N N . CYS A 1 284 ? 39.069 4.880 6.971 1.00 41.40 ? 625 CYS A N 1 ATOM 2171 C CA . CYS A 1 284 ? 37.888 4.029 6.998 1.00 45.71 ? 625 CYS A CA 1 ATOM 2172 C C . CYS A 1 284 ? 38.049 2.880 6.057 1.00 50.90 ? 625 CYS A C 1 ATOM 2173 O O . CYS A 1 284 ? 38.179 1.726 6.507 1.00 55.47 ? 625 CYS A O 1 ATOM 2174 C CB . CYS A 1 284 ? 36.591 4.772 6.739 1.00 43.42 ? 625 CYS A CB 1 ATOM 2175 S SG . CYS A 1 284 ? 35.255 3.802 5.931 1.00 35.65 ? 625 CYS A SG 1 ATOM 2176 N N . PRO A 1 285 ? 38.067 3.170 4.747 1.00 52.11 ? 626 PRO A N 1 ATOM 2177 C CA . PRO A 1 285 ? 38.107 2.020 3.854 1.00 51.78 ? 626 PRO A CA 1 ATOM 2178 C C . PRO A 1 285 ? 39.318 1.158 4.229 1.00 53.62 ? 626 PRO A C 1 ATOM 2179 O O . PRO A 1 285 ? 39.244 -0.075 4.242 1.00 53.50 ? 626 PRO A O 1 ATOM 2180 C CB . PRO A 1 285 ? 38.268 2.657 2.466 1.00 52.70 ? 626 PRO A CB 1 ATOM 2181 C CG . PRO A 1 285 ? 37.739 4.066 2.617 1.00 53.08 ? 626 PRO A CG 1 ATOM 2182 C CD . PRO A 1 285 ? 38.059 4.468 4.044 1.00 50.49 ? 626 PRO A CD 1 ATOM 2183 N N . ASP A 1 286 ? 40.396 1.832 4.616 1.00 54.38 ? 627 ASP A N 1 ATOM 2184 C CA . ASP A 1 286 ? 41.731 1.245 4.714 1.00 55.28 ? 627 ASP A CA 1 ATOM 2185 C C . ASP A 1 286 ? 41.938 0.360 5.928 1.00 53.63 ? 627 ASP A C 1 ATOM 2186 O O . ASP A 1 286 ? 42.275 -0.823 5.786 1.00 53.69 ? 627 ASP A O 1 ATOM 2187 C CB . ASP A 1 286 ? 42.770 2.372 4.695 1.00 57.17 ? 627 ASP A CB 1 ATOM 2188 C CG . ASP A 1 286 ? 42.504 3.375 3.578 1.00 62.91 ? 627 ASP A CG 1 ATOM 2189 O OD1 . ASP A 1 286 ? 42.793 3.028 2.404 1.00 64.90 ? 627 ASP A OD1 1 ATOM 2190 O OD2 . ASP A 1 286 ? 41.982 4.486 3.871 1.00 63.17 ? 627 ASP A OD2 1 ATOM 2191 N N . LYS A 1 287 ? 41.758 0.939 7.114 1.00 50.51 ? 628 LYS A N 1 ATOM 2192 C CA . LYS A 1 287 ? 41.925 0.198 8.353 1.00 49.78 ? 628 LYS A CA 1 ATOM 2193 C C . LYS A 1 287 ? 40.576 -0.243 8.927 1.00 45.92 ? 628 LYS A C 1 ATOM 2194 O O . LYS A 1 287 ? 40.346 -1.442 9.108 1.00 46.16 ? 628 LYS A O 1 ATOM 2195 C CB . LYS A 1 287 ? 42.747 0.999 9.378 1.00 49.11 ? 628 LYS A CB 1 ATOM 2196 C CG . LYS A 1 287 ? 44.146 1.392 8.863 1.00 56.47 ? 628 LYS A CG 1 ATOM 2197 C CD . LYS A 1 287 ? 45.100 1.847 9.981 1.00 54.94 ? 628 LYS A CD 1 ATOM 2198 C CE . LYS A 1 287 ? 45.800 0.651 10.664 1.00 65.90 ? 628 LYS A CE 1 ATOM 2199 N NZ . LYS A 1 287 ? 46.730 1.039 11.788 1.00 63.85 ? 628 LYS A NZ 1 ATOM 2200 N N . PHE A 1 288 ? 39.675 0.713 9.165 1.00 40.66 ? 629 PHE A N 1 ATOM 2201 C CA . PHE A 1 288 ? 38.427 0.424 9.885 1.00 36.00 ? 629 PHE A CA 1 ATOM 2202 C C . PHE A 1 288 ? 37.319 1.425 9.536 1.00 33.51 ? 629 PHE A C 1 ATOM 2203 O O . PHE A 1 288 ? 37.566 2.619 9.433 1.00 32.06 ? 629 PHE A O 1 ATOM 2204 C CB . PHE A 1 288 ? 38.703 0.348 11.408 1.00 34.15 ? 629 PHE A CB 1 ATOM 2205 C CG . PHE A 1 288 ? 37.473 0.128 12.248 1.00 36.01 ? 629 PHE A CG 1 ATOM 2206 C CD1 . PHE A 1 288 ? 36.892 -1.137 12.343 1.00 35.97 ? 629 PHE A CD1 1 ATOM 2207 C CD2 . PHE A 1 288 ? 36.892 1.189 12.941 1.00 25.87 ? 629 PHE A CD2 1 ATOM 2208 C CE1 . PHE A 1 288 ? 35.747 -1.338 13.105 1.00 34.00 ? 629 PHE A CE1 1 ATOM 2209 C CE2 . PHE A 1 288 ? 35.768 0.993 13.705 1.00 31.72 ? 629 PHE A CE2 1 ATOM 2210 C CZ . PHE A 1 288 ? 35.180 -0.276 13.787 1.00 33.10 ? 629 PHE A CZ 1 ATOM 2211 N N . CYS A 1 289 ? 36.113 0.919 9.293 1.00 30.33 ? 630 CYS A N 1 ATOM 2212 C CA . CYS A 1 289 ? 34.957 1.767 9.064 1.00 31.51 ? 630 CYS A CA 1 ATOM 2213 C C . CYS A 1 289 ? 33.930 1.534 10.166 1.00 31.76 ? 630 CYS A C 1 ATOM 2214 O O . CYS A 1 289 ? 33.396 0.429 10.291 1.00 31.93 ? 630 CYS A O 1 ATOM 2215 C CB . CYS A 1 289 ? 34.343 1.490 7.688 1.00 31.92 ? 630 CYS A CB 1 ATOM 2216 S SG . CYS A 1 289 ? 35.497 1.820 6.296 1.00 35.20 ? 630 CYS A SG 1 ATOM 2217 N N . LEU A 1 290 ? 33.696 2.569 10.975 1.00 31.56 ? 631 LEU A N 1 ATOM 2218 C CA . LEU A 1 290 ? 32.663 2.588 12.022 1.00 30.93 ? 631 LEU A CA 1 ATOM 2219 C C . LEU A 1 290 ? 31.260 2.191 11.573 1.00 31.57 ? 631 LEU A C 1 ATOM 2220 O O . LEU A 1 290 ? 30.524 1.534 12.322 1.00 28.86 ? 631 LEU A O 1 ATOM 2221 C CB . LEU A 1 290 ? 32.541 4.000 12.584 1.00 30.59 ? 631 LEU A CB 1 ATOM 2222 C CG . LEU A 1 290 ? 32.978 4.291 14.022 1.00 35.19 ? 631 LEU A CG 1 ATOM 2223 C CD1 . LEU A 1 290 ? 32.556 5.715 14.378 1.00 27.48 ? 631 LEU A CD1 1 ATOM 2224 C CD2 . LEU A 1 290 ? 32.444 3.264 15.025 1.00 29.84 ? 631 LEU A CD2 1 ATOM 2225 N N . PHE A 1 291 ? 30.863 2.637 10.380 1.00 31.12 ? 632 PHE A N 1 ATOM 2226 C CA . PHE A 1 291 ? 29.489 2.450 9.943 1.00 31.54 ? 632 PHE A CA 1 ATOM 2227 C C . PHE A 1 291 ? 29.302 1.257 8.995 1.00 33.00 ? 632 PHE A C 1 ATOM 2228 O O . PHE A 1 291 ? 28.332 1.197 8.252 1.00 36.61 ? 632 PHE A O 1 ATOM 2229 C CB . PHE A 1 291 ? 28.924 3.750 9.343 1.00 29.80 ? 632 PHE A CB 1 ATOM 2230 C CG . PHE A 1 291 ? 29.133 4.959 10.210 1.00 30.31 ? 632 PHE A CG 1 ATOM 2231 C CD1 . PHE A 1 291 ? 28.866 4.906 11.580 1.00 27.45 ? 632 PHE A CD1 1 ATOM 2232 C CD2 . PHE A 1 291 ? 29.590 6.161 9.660 1.00 30.03 ? 632 PHE A CD2 1 ATOM 2233 C CE1 . PHE A 1 291 ? 29.068 6.011 12.389 1.00 30.86 ? 632 PHE A CE1 1 ATOM 2234 C CE2 . PHE A 1 291 ? 29.796 7.277 10.455 1.00 35.18 ? 632 PHE A CE2 1 ATOM 2235 C CZ . PHE A 1 291 ? 29.530 7.210 11.833 1.00 34.43 ? 632 PHE A CZ 1 ATOM 2236 N N . LYS A 1 292 ? 30.215 0.298 9.027 1.00 36.29 ? 633 LYS A N 1 ATOM 2237 C CA . LYS A 1 292 ? 29.995 -0.955 8.319 1.00 38.50 ? 633 LYS A CA 1 ATOM 2238 C C . LYS A 1 292 ? 30.061 -2.163 9.237 1.00 39.00 ? 633 LYS A C 1 ATOM 2239 O O . LYS A 1 292 ? 30.774 -2.160 10.246 1.00 34.72 ? 633 LYS A O 1 ATOM 2240 C CB . LYS A 1 292 ? 30.988 -1.131 7.160 1.00 40.36 ? 633 LYS A CB 1 ATOM 2241 C CG . LYS A 1 292 ? 30.544 -0.462 5.857 1.00 46.41 ? 633 LYS A CG 1 ATOM 2242 C CD . LYS A 1 292 ? 30.398 1.051 6.026 1.00 56.65 ? 633 LYS A CD 1 ATOM 2243 C CE . LYS A 1 292 ? 29.368 1.658 5.055 1.00 63.09 ? 633 LYS A CE 1 ATOM 2244 N NZ . LYS A 1 292 ? 28.804 2.973 5.550 1.00 60.93 ? 633 LYS A NZ 1 ATOM 2245 N N . SER A 1 293 ? 29.295 -3.185 8.859 1.00 38.72 ? 634 SER A N 1 ATOM 2246 C CA . SER A 1 293 ? 29.304 -4.510 9.477 1.00 41.48 ? 634 SER A CA 1 ATOM 2247 C C . SER A 1 293 ? 28.572 -5.573 8.619 1.00 44.58 ? 634 SER A C 1 ATOM 2248 O O . SER A 1 293 ? 27.940 -6.478 9.153 1.00 46.52 ? 634 SER A O 1 ATOM 2249 C CB . SER A 1 293 ? 28.709 -4.456 10.881 1.00 39.51 ? 634 SER A CB 1 ATOM 2250 O OG . SER A 1 293 ? 27.402 -3.912 10.869 1.00 33.54 ? 634 SER A OG 1 ATOM 2251 N N . GLU A 1 294 ? 28.636 -5.454 7.299 1.00 46.85 ? 635 GLU A N 1 ATOM 2252 C CA . GLU A 1 294 ? 27.909 -6.388 6.403 1.00 52.09 ? 635 GLU A CA 1 ATOM 2253 C C . GLU A 1 294 ? 26.393 -6.552 6.712 1.00 49.56 ? 635 GLU A C 1 ATOM 2254 O O . GLU A 1 294 ? 25.918 -7.667 6.958 1.00 48.83 ? 635 GLU A O 1 ATOM 2255 C CB . GLU A 1 294 ? 28.594 -7.767 6.248 1.00 51.96 ? 635 GLU A CB 1 ATOM 2256 C CG . GLU A 1 294 ? 29.669 -8.101 7.302 1.00 58.65 ? 635 GLU A CG 1 ATOM 2257 C CD . GLU A 1 294 ? 30.196 -9.542 7.198 1.00 60.66 ? 635 GLU A CD 1 ATOM 2258 O OE1 . GLU A 1 294 ? 31.317 -9.726 6.652 1.00 69.97 ? 635 GLU A OE1 1 ATOM 2259 O OE2 . GLU A 1 294 ? 29.495 -10.484 7.656 1.00 66.96 ? 635 GLU A OE2 1 ATOM 2260 N N . THR A 1 295 ? 25.648 -5.442 6.691 1.00 48.05 ? 636 THR A N 1 ATOM 2261 C CA . THR A 1 295 ? 24.168 -5.472 6.693 1.00 45.52 ? 636 THR A CA 1 ATOM 2262 C C . THR A 1 295 ? 23.595 -5.853 8.073 1.00 43.30 ? 636 THR A C 1 ATOM 2263 O O . THR A 1 295 ? 22.394 -6.106 8.237 1.00 42.80 ? 636 THR A O 1 ATOM 2264 C CB . THR A 1 295 ? 23.632 -6.410 5.554 1.00 46.06 ? 636 THR A CB 1 ATOM 2265 O OG1 . THR A 1 295 ? 22.393 -5.910 5.021 1.00 49.26 ? 636 THR A OG1 1 ATOM 2266 C CG2 . THR A 1 295 ? 23.456 -7.842 6.049 1.00 46.46 ? 636 THR A CG2 1 ATOM 2267 N N . LYS A 1 296 ? 24.476 -5.857 9.066 1.00 37.80 ? 637 LYS A N 1 ATOM 2268 C CA . LYS A 1 296 ? 24.171 -6.388 10.369 1.00 34.49 ? 637 LYS A CA 1 ATOM 2269 C C . LYS A 1 296 ? 23.857 -5.292 11.384 1.00 29.36 ? 637 LYS A C 1 ATOM 2270 O O . LYS A 1 296 ? 23.356 -5.566 12.465 1.00 30.33 ? 637 LYS A O 1 ATOM 2271 C CB . LYS A 1 296 ? 25.327 -7.253 10.827 1.00 32.67 ? 637 LYS A CB 1 ATOM 2272 C CG . LYS A 1 296 ? 25.477 -8.500 9.984 1.00 43.57 ? 637 LYS A CG 1 ATOM 2273 C CD . LYS A 1 296 ? 26.944 -8.818 9.692 1.00 53.16 ? 637 LYS A CD 1 ATOM 2274 C CE . LYS A 1 296 ? 27.612 -9.491 10.873 1.00 61.31 ? 637 LYS A CE 1 ATOM 2275 N NZ . LYS A 1 296 ? 26.775 -10.617 11.381 1.00 62.84 ? 637 LYS A NZ 1 ATOM 2276 N N . ASN A 1 297 ? 24.119 -4.057 10.981 1.00 26.42 ? 638 ASN A N 1 ATOM 2277 C CA . ASN A 1 297 ? 23.824 -2.844 11.752 1.00 23.83 ? 638 ASN A CA 1 ATOM 2278 C C . ASN A 1 297 ? 24.364 -2.927 13.168 1.00 22.65 ? 638 ASN A C 1 ATOM 2279 O O . ASN A 1 297 ? 23.606 -2.773 14.137 1.00 21.84 ? 638 ASN A O 1 ATOM 2280 C CB . ASN A 1 297 ? 22.321 -2.529 11.779 1.00 23.34 ? 638 ASN A CB 1 ATOM 2281 C CG . ASN A 1 297 ? 21.700 -2.353 10.382 1.00 23.77 ? 638 ASN A CG 1 ATOM 2282 O OD1 . ASN A 1 297 ? 20.619 -2.899 10.094 1.00 30.76 ? 638 ASN A OD1 1 ATOM 2283 N ND2 . ASN A 1 297 ? 22.325 -1.551 9.553 1.00 20.97 ? 638 ASN A ND2 1 ATOM 2284 N N . LEU A 1 298 ? 25.671 -3.170 13.286 1.00 19.03 ? 639 LEU A N 1 ATOM 2285 C CA . LEU A 1 298 ? 26.296 -3.391 14.595 1.00 19.38 ? 639 LEU A CA 1 ATOM 2286 C C . LEU A 1 298 ? 26.829 -2.066 15.084 1.00 17.71 ? 639 LEU A C 1 ATOM 2287 O O . LEU A 1 298 ? 27.593 -1.423 14.369 1.00 21.90 ? 639 LEU A O 1 ATOM 2288 C CB . LEU A 1 298 ? 27.435 -4.437 14.523 1.00 21.08 ? 639 LEU A CB 1 ATOM 2289 C CG . LEU A 1 298 ? 27.112 -5.850 14.038 1.00 21.41 ? 639 LEU A CG 1 ATOM 2290 C CD1 . LEU A 1 298 ? 28.344 -6.727 14.000 1.00 16.36 ? 639 LEU A CD1 1 ATOM 2291 C CD2 . LEU A 1 298 ? 26.026 -6.511 14.919 1.00 23.62 ? 639 LEU A CD2 1 ATOM 2292 N N . LEU A 1 299 ? 26.402 -1.669 16.279 1.00 18.33 ? 640 LEU A N 1 ATOM 2293 C CA . LEU A 1 299 ? 26.714 -0.366 16.938 1.00 18.24 ? 640 LEU A CA 1 ATOM 2294 C C . LEU A 1 299 ? 25.976 0.809 16.337 1.00 18.74 ? 640 LEU A C 1 ATOM 2295 O O . LEU A 1 299 ? 25.403 1.622 17.068 1.00 19.17 ? 640 LEU A O 1 ATOM 2296 C CB . LEU A 1 299 ? 28.230 -0.070 16.995 1.00 17.47 ? 640 LEU A CB 1 ATOM 2297 C CG . LEU A 1 299 ? 29.114 -1.116 17.695 1.00 22.86 ? 640 LEU A CG 1 ATOM 2298 C CD1 . LEU A 1 299 ? 30.571 -0.644 17.635 1.00 24.38 ? 640 LEU A CD1 1 ATOM 2299 C CD2 . LEU A 1 299 ? 28.712 -1.380 19.158 1.00 19.79 ? 640 LEU A CD2 1 ATOM 2300 N N . PHE A 1 300 ? 26.027 0.900 15.008 1.00 17.81 ? 641 PHE A N 1 ATOM 2301 C CA . PHE A 1 300 ? 25.330 1.911 14.226 1.00 17.44 ? 641 PHE A CA 1 ATOM 2302 C C . PHE A 1 300 ? 24.660 1.237 13.057 1.00 16.48 ? 641 PHE A C 1 ATOM 2303 O O . PHE A 1 300 ? 25.048 0.147 12.693 1.00 19.87 ? 641 PHE A O 1 ATOM 2304 C CB . PHE A 1 300 ? 26.333 2.938 13.698 1.00 19.28 ? 641 PHE A CB 1 ATOM 2305 C CG . PHE A 1 300 ? 27.140 3.563 14.774 1.00 19.84 ? 641 PHE A CG 1 ATOM 2306 C CD1 . PHE A 1 300 ? 26.589 4.616 15.538 1.00 23.82 ? 641 PHE A CD1 1 ATOM 2307 C CD2 . PHE A 1 300 ? 28.420 3.098 15.070 1.00 21.34 ? 641 PHE A CD2 1 ATOM 2308 C CE1 . PHE A 1 300 ? 27.317 5.196 16.567 1.00 16.42 ? 641 PHE A CE1 1 ATOM 2309 C CE2 . PHE A 1 300 ? 29.161 3.678 16.114 1.00 19.82 ? 641 PHE A CE2 1 ATOM 2310 C CZ . PHE A 1 300 ? 28.605 4.734 16.847 1.00 20.77 ? 641 PHE A CZ 1 ATOM 2311 N N . ASN A 1 301 ? 23.650 1.876 12.467 1.00 16.24 ? 642 ASN A N 1 ATOM 2312 C CA . ASN A 1 301 ? 23.064 1.374 11.230 1.00 17.57 ? 642 ASN A CA 1 ATOM 2313 C C . ASN A 1 301 ? 24.093 1.492 10.105 1.00 20.91 ? 642 ASN A C 1 ATOM 2314 O O . ASN A 1 301 ? 24.858 2.476 10.035 1.00 18.71 ? 642 ASN A O 1 ATOM 2315 C CB . ASN A 1 301 ? 21.765 2.118 10.862 1.00 17.13 ? 642 ASN A CB 1 ATOM 2316 C CG . ASN A 1 301 ? 20.599 1.728 11.748 1.00 19.85 ? 642 ASN A CG 1 ATOM 2317 O OD1 . ASN A 1 301 ? 20.268 0.546 11.883 1.00 18.68 ? 642 ASN A OD1 1 ATOM 2318 N ND2 . ASN A 1 301 ? 19.997 2.714 12.399 1.00 19.53 ? 642 ASN A ND2 1 ATOM 2319 N N . ASP A 1 302 ? 24.119 0.488 9.230 1.00 22.74 ? 643 ASP A N 1 ATOM 2320 C CA . ASP A 1 302 ? 25.077 0.490 8.114 1.00 24.36 ? 643 ASP A CA 1 ATOM 2321 C C . ASP A 1 302 ? 24.833 1.610 7.107 1.00 25.76 ? 643 ASP A C 1 ATOM 2322 O O . ASP A 1 302 ? 25.753 2.006 6.394 1.00 27.52 ? 643 ASP A O 1 ATOM 2323 C CB . ASP A 1 302 ? 25.104 -0.862 7.402 1.00 25.19 ? 643 ASP A CB 1 ATOM 2324 C CG . ASP A 1 302 ? 25.580 -1.984 8.307 1.00 26.88 ? 643 ASP A CG 1 ATOM 2325 O OD1 . ASP A 1 302 ? 26.176 -1.721 9.368 1.00 34.02 ? 643 ASP A OD1 1 ATOM 2326 O OD2 . ASP A 1 302 ? 25.348 -3.143 7.962 1.00 39.47 ? 643 ASP A OD2 1 ATOM 2327 N N . ASN A 1 303 ? 23.615 2.132 7.042 1.00 25.54 ? 644 ASN A N 1 ATOM 2328 C CA . ASN A 1 303 ? 23.357 3.252 6.128 1.00 28.97 ? 644 ASN A CA 1 ATOM 2329 C C . ASN A 1 303 ? 23.699 4.644 6.694 1.00 29.21 ? 644 ASN A C 1 ATOM 2330 O O . ASN A 1 303 ? 23.379 5.659 6.097 1.00 30.19 ? 644 ASN A O 1 ATOM 2331 C CB . ASN A 1 303 ? 21.919 3.230 5.619 1.00 27.77 ? 644 ASN A CB 1 ATOM 2332 C CG . ASN A 1 303 ? 20.888 3.435 6.732 1.00 31.68 ? 644 ASN A CG 1 ATOM 2333 O OD1 . ASN A 1 303 ? 21.214 3.712 7.885 1.00 28.12 ? 644 ASN A OD1 1 ATOM 2334 N ND2 . ASN A 1 303 ? 19.642 3.287 6.377 1.00 25.65 ? 644 ASN A ND2 1 ATOM 2335 N N . THR A 1 304 ? 24.333 4.692 7.855 1.00 28.22 ? 645 THR A N 1 ATOM 2336 C CA . THR A 1 304 ? 24.658 5.970 8.463 1.00 27.04 ? 645 THR A CA 1 ATOM 2337 C C . THR A 1 304 ? 25.741 6.682 7.660 1.00 28.63 ? 645 THR A C 1 ATOM 2338 O O . THR A 1 304 ? 26.811 6.119 7.400 1.00 26.79 ? 645 THR A O 1 ATOM 2339 C CB . THR A 1 304 ? 25.144 5.779 9.909 1.00 28.57 ? 645 THR A CB 1 ATOM 2340 O OG1 . THR A 1 304 ? 24.127 5.104 10.653 1.00 27.00 ? 645 THR A OG1 1 ATOM 2341 C CG2 . THR A 1 304 ? 25.479 7.119 10.552 1.00 22.51 ? 645 THR A CG2 1 ATOM 2342 N N . GLU A 1 305 ? 25.465 7.923 7.266 1.00 28.58 ? 646 GLU A N 1 ATOM 2343 C CA . GLU A 1 305 ? 26.467 8.719 6.591 1.00 30.67 ? 646 GLU A CA 1 ATOM 2344 C C . GLU A 1 305 ? 27.406 9.387 7.597 1.00 30.01 ? 646 GLU A C 1 ATOM 2345 O O . GLU A 1 305 ? 28.632 9.419 7.406 1.00 31.40 ? 646 GLU A O 1 ATOM 2346 C CB . GLU A 1 305 ? 25.812 9.750 5.669 1.00 30.94 ? 646 GLU A CB 1 ATOM 2347 C CG . GLU A 1 305 ? 26.846 10.553 4.858 1.00 37.57 ? 646 GLU A CG 1 ATOM 2348 C CD . GLU A 1 305 ? 26.283 11.804 4.180 1.00 37.71 ? 646 GLU A CD 1 ATOM 2349 O OE1 . GLU A 1 305 ? 25.037 11.927 4.028 1.00 46.80 ? 646 GLU A OE1 1 ATOM 2350 O OE2 . GLU A 1 305 ? 27.110 12.672 3.800 1.00 50.23 ? 646 GLU A OE2 1 ATOM 2351 N N . CYS A 1 306 ? 26.828 9.929 8.668 1.00 29.26 ? 647 CYS A N 1 ATOM 2352 C CA . CYS A 1 306 ? 27.586 10.551 9.749 1.00 28.33 ? 647 CYS A CA 1 ATOM 2353 C C . CYS A 1 306 ? 26.711 10.645 10.982 1.00 27.41 ? 647 CYS A C 1 ATOM 2354 O O . CYS A 1 306 ? 25.484 10.500 10.904 1.00 26.87 ? 647 CYS A O 1 ATOM 2355 C CB . CYS A 1 306 ? 28.029 11.993 9.381 1.00 26.54 ? 647 CYS A CB 1 ATOM 2356 S SG . CYS A 1 306 ? 26.703 13.232 9.455 1.00 30.22 ? 647 CYS A SG 1 ATOM 2357 N N . LEU A 1 307 ? 27.354 10.947 12.103 1.00 24.71 ? 648 LEU A N 1 ATOM 2358 C CA . LEU A 1 307 ? 26.668 11.418 13.281 1.00 25.85 ? 648 LEU A CA 1 ATOM 2359 C C . LEU A 1 307 ? 26.595 12.957 13.252 1.00 26.92 ? 648 LEU A C 1 ATOM 2360 O O . LEU A 1 307 ? 27.627 13.642 13.080 1.00 25.92 ? 648 LEU A O 1 ATOM 2361 C CB . LEU A 1 307 ? 27.408 10.953 14.519 1.00 26.24 ? 648 LEU A CB 1 ATOM 2362 C CG . LEU A 1 307 ? 27.540 9.432 14.668 1.00 28.40 ? 648 LEU A CG 1 ATOM 2363 C CD1 . LEU A 1 307 ? 28.561 9.124 15.746 1.00 26.97 ? 648 LEU A CD1 1 ATOM 2364 C CD2 . LEU A 1 307 ? 26.172 8.808 14.979 1.00 20.82 ? 648 LEU A CD2 1 ATOM 2365 N N . ALA A 1 308 ? 25.379 13.475 13.435 1.00 23.89 ? 649 ALA A N 1 ATOM 2366 C CA . ALA A 1 308 ? 25.061 14.893 13.297 1.00 25.75 ? 649 ALA A CA 1 ATOM 2367 C C . ALA A 1 308 ? 24.836 15.557 14.665 1.00 27.36 ? 649 ALA A C 1 ATOM 2368 O O . ALA A 1 308 ? 24.250 14.951 15.568 1.00 26.06 ? 649 ALA A O 1 ATOM 2369 C CB . ALA A 1 308 ? 23.790 15.067 12.428 1.00 19.79 ? 649 ALA A CB 1 ATOM 2370 N N . LYS A 1 309 ? 25.264 16.808 14.802 1.00 27.29 ? 650 LYS A N 1 ATOM 2371 C CA . LYS A 1 309 ? 24.958 17.596 16.013 1.00 28.50 ? 650 LYS A CA 1 ATOM 2372 C C . LYS A 1 309 ? 23.483 17.886 16.076 1.00 28.16 ? 650 LYS A C 1 ATOM 2373 O O . LYS A 1 309 ? 22.799 17.903 15.054 1.00 30.48 ? 650 LYS A O 1 ATOM 2374 C CB . LYS A 1 309 ? 25.737 18.911 16.026 1.00 30.07 ? 650 LYS A CB 1 ATOM 2375 C CG . LYS A 1 309 ? 27.254 18.734 15.945 1.00 32.65 ? 650 LYS A CG 1 ATOM 2376 C CD . LYS A 1 309 ? 27.926 20.097 15.933 1.00 40.86 ? 650 LYS A CD 1 ATOM 2377 C CE . LYS A 1 309 ? 29.289 20.046 15.287 1.00 45.99 ? 650 LYS A CE 1 ATOM 2378 N NZ . LYS A 1 309 ? 30.027 21.298 15.640 1.00 52.41 ? 650 LYS A NZ 1 ATOM 2379 N N . LEU A 1 310 ? 22.974 18.122 17.271 1.00 28.24 ? 651 LEU A N 1 ATOM 2380 C CA . LEU A 1 310 ? 21.544 18.223 17.413 1.00 31.85 ? 651 LEU A CA 1 ATOM 2381 C C . LEU A 1 310 ? 21.004 19.633 17.189 1.00 35.15 ? 651 LEU A C 1 ATOM 2382 O O . LEU A 1 310 ? 20.245 19.862 16.254 1.00 40.80 ? 651 LEU A O 1 ATOM 2383 C CB . LEU A 1 310 ? 21.072 17.579 18.728 1.00 27.84 ? 651 LEU A CB 1 ATOM 2384 C CG . LEU A 1 310 ? 21.357 16.072 18.686 1.00 29.84 ? 651 LEU A CG 1 ATOM 2385 C CD1 . LEU A 1 310 ? 20.871 15.389 19.920 1.00 29.82 ? 651 LEU A CD1 1 ATOM 2386 C CD2 . LEU A 1 310 ? 20.664 15.482 17.469 1.00 27.20 ? 651 LEU A CD2 1 ATOM 2387 N N . GLY A 1 311 ? 21.336 20.594 18.026 1.00 38.46 ? 652 GLY A N 1 ATOM 2388 C CA . GLY A 1 311 ? 20.844 21.946 17.698 1.00 40.34 ? 652 GLY A CA 1 ATOM 2389 C C . GLY A 1 311 ? 19.496 22.243 18.324 1.00 39.82 ? 652 GLY A C 1 ATOM 2390 O O . GLY A 1 311 ? 18.507 21.509 18.140 1.00 39.91 ? 652 GLY A O 1 ATOM 2391 N N . GLY A 1 312 ? 19.468 23.333 19.079 1.00 38.31 ? 653 GLY A N 1 ATOM 2392 C CA . GLY A 1 312 ? 18.398 23.587 20.020 1.00 36.63 ? 653 GLY A CA 1 ATOM 2393 C C . GLY A 1 312 ? 18.637 22.692 21.215 1.00 35.19 ? 653 GLY A C 1 ATOM 2394 O O . GLY A 1 312 ? 17.720 22.436 21.994 1.00 34.47 ? 653 GLY A O 1 ATOM 2395 N N . ARG A 1 313 ? 19.876 22.204 21.330 1.00 33.02 ? 654 ARG A N 1 ATOM 2396 C CA . ARG A 1 313 ? 20.297 21.338 22.436 1.00 32.05 ? 654 ARG A CA 1 ATOM 2397 C C . ARG A 1 313 ? 19.090 20.664 23.084 1.00 29.26 ? 654 ARG A C 1 ATOM 2398 O O . ARG A 1 313 ? 18.764 20.948 24.242 1.00 27.88 ? 654 ARG A O 1 ATOM 2399 C CB . ARG A 1 313 ? 21.098 22.129 23.476 1.00 33.41 ? 654 ARG A CB 1 ATOM 2400 C CG . ARG A 1 313 ? 22.474 22.561 22.978 1.00 42.20 ? 654 ARG A CG 1 ATOM 2401 C CD . ARG A 1 313 ? 23.448 22.763 24.139 1.00 46.50 ? 654 ARG A CD 1 ATOM 2402 N NE . ARG A 1 313 ? 24.694 23.403 23.716 1.00 56.68 ? 654 ARG A NE 1 ATOM 2403 C CZ . ARG A 1 313 ? 25.903 22.851 23.833 1.00 65.45 ? 654 ARG A CZ 1 ATOM 2404 N NH1 . ARG A 1 313 ? 26.046 21.648 24.379 1.00 67.61 ? 654 ARG A NH1 1 ATOM 2405 N NH2 . ARG A 1 313 ? 26.979 23.507 23.412 1.00 70.34 ? 654 ARG A NH2 1 ATOM 2406 N N . PRO A 1 314 ? 18.427 19.752 22.337 1.00 27.23 ? 655 PRO A N 1 ATOM 2407 C CA . PRO A 1 314 ? 17.131 19.269 22.795 1.00 26.61 ? 655 PRO A CA 1 ATOM 2408 C C . PRO A 1 314 ? 17.225 18.337 24.004 1.00 27.09 ? 655 PRO A C 1 ATOM 2409 O O . PRO A 1 314 ? 18.232 17.638 24.190 1.00 25.52 ? 655 PRO A O 1 ATOM 2410 C CB . PRO A 1 314 ? 16.585 18.511 21.573 1.00 27.92 ? 655 PRO A CB 1 ATOM 2411 C CG . PRO A 1 314 ? 17.813 17.983 20.888 1.00 27.67 ? 655 PRO A CG 1 ATOM 2412 C CD . PRO A 1 314 ? 18.857 19.104 21.081 1.00 26.64 ? 655 PRO A CD 1 ATOM 2413 N N . THR A 1 315 ? 16.166 18.326 24.805 1.00 25.56 ? 656 THR A N 1 ATOM 2414 C CA . THR A 1 315 ? 15.975 17.295 25.802 1.00 23.56 ? 656 THR A CA 1 ATOM 2415 C C . THR A 1 315 ? 15.532 16.003 25.080 1.00 25.40 ? 656 THR A C 1 ATOM 2416 O O . THR A 1 315 ? 15.299 15.994 23.864 1.00 22.22 ? 656 THR A O 1 ATOM 2417 C CB . THR A 1 315 ? 14.900 17.694 26.808 1.00 25.55 ? 656 THR A CB 1 ATOM 2418 O OG1 . THR A 1 315 ? 13.642 17.751 26.147 1.00 26.71 ? 656 THR A OG1 1 ATOM 2419 C CG2 . THR A 1 315 ? 15.187 19.060 27.440 1.00 23.33 ? 656 THR A CG2 1 ATOM 2420 N N . TYR A 1 316 ? 15.406 14.912 25.814 1.00 23.69 ? 657 TYR A N 1 ATOM 2421 C CA . TYR A 1 316 ? 15.008 13.683 25.158 1.00 25.76 ? 657 TYR A CA 1 ATOM 2422 C C . TYR A 1 316 ? 13.562 13.822 24.595 1.00 25.23 ? 657 TYR A C 1 ATOM 2423 O O . TYR A 1 316 ? 13.227 13.243 23.551 1.00 22.67 ? 657 TYR A O 1 ATOM 2424 C CB . TYR A 1 316 ? 15.215 12.457 26.085 1.00 26.23 ? 657 TYR A CB 1 ATOM 2425 C CG . TYR A 1 316 ? 14.087 12.242 27.049 1.00 26.29 ? 657 TYR A CG 1 ATOM 2426 C CD1 . TYR A 1 316 ? 13.018 11.412 26.717 1.00 31.49 ? 657 TYR A CD1 1 ATOM 2427 C CD2 . TYR A 1 316 ? 14.054 12.902 28.260 1.00 24.54 ? 657 TYR A CD2 1 ATOM 2428 C CE1 . TYR A 1 316 ? 11.952 11.227 27.595 1.00 32.34 ? 657 TYR A CE1 1 ATOM 2429 C CE2 . TYR A 1 316 ? 13.003 12.724 29.146 1.00 23.70 ? 657 TYR A CE2 1 ATOM 2430 C CZ . TYR A 1 316 ? 11.965 11.889 28.815 1.00 30.01 ? 657 TYR A CZ 1 ATOM 2431 O OH . TYR A 1 316 ? 10.934 11.719 29.698 1.00 34.94 ? 657 TYR A OH 1 ATOM 2432 N N . GLU A 1 317 ? 12.725 14.611 25.272 1.00 24.32 ? 658 GLU A N 1 ATOM 2433 C CA . GLU A 1 317 ? 11.341 14.833 24.845 1.00 26.33 ? 658 GLU A CA 1 ATOM 2434 C C . GLU A 1 317 ? 11.242 15.680 23.599 1.00 23.59 ? 658 GLU A C 1 ATOM 2435 O O . GLU A 1 317 ? 10.451 15.379 22.701 1.00 25.74 ? 658 GLU A O 1 ATOM 2436 C CB . GLU A 1 317 ? 10.510 15.451 25.968 1.00 27.03 ? 658 GLU A CB 1 ATOM 2437 C CG . GLU A 1 317 ? 10.254 14.476 27.088 1.00 35.01 ? 658 GLU A CG 1 ATOM 2438 C CD . GLU A 1 317 ? 9.450 15.084 28.228 1.00 44.35 ? 658 GLU A CD 1 ATOM 2439 O OE1 . GLU A 1 317 ? 9.644 16.289 28.520 1.00 48.88 ? 658 GLU A OE1 1 ATOM 2440 O OE2 . GLU A 1 317 ? 8.625 14.351 28.829 1.00 48.61 ? 658 GLU A OE2 1 ATOM 2441 N N . GLU A 1 318 ? 12.043 16.738 23.540 1.00 23.52 ? 659 GLU A N 1 ATOM 2442 C CA . GLU A 1 318 ? 12.143 17.516 22.326 1.00 24.11 ? 659 GLU A CA 1 ATOM 2443 C C . GLU A 1 318 ? 12.708 16.682 21.198 1.00 23.63 ? 659 GLU A C 1 ATOM 2444 O O . GLU A 1 318 ? 12.247 16.806 20.082 1.00 25.19 ? 659 GLU A O 1 ATOM 2445 C CB . GLU A 1 318 ? 13.001 18.753 22.525 1.00 22.48 ? 659 GLU A CB 1 ATOM 2446 C CG . GLU A 1 318 ? 12.471 19.644 23.624 1.00 24.76 ? 659 GLU A CG 1 ATOM 2447 C CD . GLU A 1 318 ? 13.380 20.798 23.856 1.00 25.03 ? 659 GLU A CD 1 ATOM 2448 O OE1 . GLU A 1 318 ? 14.576 20.575 24.170 1.00 22.64 ? 659 GLU A OE1 1 ATOM 2449 O OE2 . GLU A 1 318 ? 12.888 21.924 23.703 1.00 25.73 ? 659 GLU A OE2 1 ATOM 2450 N N . TYR A 1 319 ? 13.708 15.843 21.473 1.00 24.78 ? 660 TYR A N 1 ATOM 2451 C CA . TYR A 1 319 ? 14.329 15.053 20.402 1.00 23.02 ? 660 TYR A CA 1 ATOM 2452 C C . TYR A 1 319 ? 13.324 14.062 19.819 1.00 22.74 ? 660 TYR A C 1 ATOM 2453 O O . TYR A 1 319 ? 13.256 13.865 18.609 1.00 23.09 ? 660 TYR A O 1 ATOM 2454 C CB . TYR A 1 319 ? 15.600 14.307 20.874 1.00 23.81 ? 660 TYR A CB 1 ATOM 2455 C CG . TYR A 1 319 ? 16.189 13.511 19.740 1.00 24.69 ? 660 TYR A CG 1 ATOM 2456 C CD1 . TYR A 1 319 ? 16.975 14.131 18.770 1.00 25.72 ? 660 TYR A CD1 1 ATOM 2457 C CD2 . TYR A 1 319 ? 15.886 12.165 19.582 1.00 19.92 ? 660 TYR A CD2 1 ATOM 2458 C CE1 . TYR A 1 319 ? 17.480 13.420 17.706 1.00 28.72 ? 660 TYR A CE1 1 ATOM 2459 C CE2 . TYR A 1 319 ? 16.373 11.458 18.531 1.00 17.96 ? 660 TYR A CE2 1 ATOM 2460 C CZ . TYR A 1 319 ? 17.161 12.090 17.586 1.00 22.09 ? 660 TYR A CZ 1 ATOM 2461 O OH . TYR A 1 319 ? 17.634 11.394 16.522 1.00 22.50 ? 660 TYR A OH 1 ATOM 2462 N N . LEU A 1 320 ? 12.536 13.439 20.678 1.00 22.34 ? 661 LEU A N 1 ATOM 2463 C CA . LEU A 1 320 ? 11.646 12.415 20.211 1.00 24.80 ? 661 LEU A CA 1 ATOM 2464 C C . LEU A 1 320 ? 10.410 13.067 19.559 1.00 28.76 ? 661 LEU A C 1 ATOM 2465 O O . LEU A 1 320 ? 9.850 12.508 18.624 1.00 27.96 ? 661 LEU A O 1 ATOM 2466 C CB . LEU A 1 320 ? 11.270 11.448 21.335 1.00 23.31 ? 661 LEU A CB 1 ATOM 2467 C CG . LEU A 1 320 ? 12.377 10.574 21.946 1.00 22.48 ? 661 LEU A CG 1 ATOM 2468 C CD1 . LEU A 1 320 ? 11.755 9.694 23.043 1.00 23.23 ? 661 LEU A CD1 1 ATOM 2469 C CD2 . LEU A 1 320 ? 13.057 9.705 20.854 1.00 25.45 ? 661 LEU A CD2 1 ATOM 2470 N N . GLY A 1 321 ? 10.012 14.249 20.057 1.00 30.31 ? 662 GLY A N 1 ATOM 2471 C CA . GLY A 1 321 ? 8.825 14.938 19.576 1.00 31.64 ? 662 GLY A CA 1 ATOM 2472 C C . GLY A 1 321 ? 7.577 14.575 20.370 1.00 34.15 ? 662 GLY A C 1 ATOM 2473 O O . GLY A 1 321 ? 7.400 13.423 20.800 1.00 33.35 ? 662 GLY A O 1 ATOM 2474 N N . THR A 1 322 ? 6.699 15.552 20.556 1.00 35.53 ? 663 THR A N 1 ATOM 2475 C CA . THR A 1 322 ? 5.500 15.370 21.383 1.00 39.21 ? 663 THR A CA 1 ATOM 2476 C C . THR A 1 322 ? 4.548 14.316 20.817 1.00 38.16 ? 663 THR A C 1 ATOM 2477 O O . THR A 1 322 ? 3.920 13.592 21.575 1.00 40.83 ? 663 THR A O 1 ATOM 2478 C CB . THR A 1 322 ? 4.734 16.703 21.638 1.00 39.25 ? 663 THR A CB 1 ATOM 2479 O OG1 . THR A 1 322 ? 5.647 17.697 22.116 1.00 46.12 ? 663 THR A OG1 1 ATOM 2480 C CG2 . THR A 1 322 ? 3.655 16.498 22.710 1.00 39.20 ? 663 THR A CG2 1 ATOM 2481 N N . GLU A 1 323 ? 4.455 14.233 19.493 1.00 39.32 ? 664 GLU A N 1 ATOM 2482 C CA . GLU A 1 323 ? 3.704 13.167 18.824 1.00 41.39 ? 664 GLU A CA 1 ATOM 2483 C C . GLU A 1 323 ? 4.115 11.781 19.351 1.00 39.38 ? 664 GLU A C 1 ATOM 2484 O O . GLU A 1 323 ? 3.316 11.050 19.949 1.00 38.52 ? 664 GLU A O 1 ATOM 2485 C CB . GLU A 1 323 ? 3.990 13.204 17.317 1.00 43.84 ? 664 GLU A CB 1 ATOM 2486 C CG . GLU A 1 323 ? 3.108 14.122 16.498 1.00 56.08 ? 664 GLU A CG 1 ATOM 2487 C CD . GLU A 1 323 ? 1.696 13.577 16.335 1.00 68.04 ? 664 GLU A CD 1 ATOM 2488 O OE1 . GLU A 1 323 ? 1.249 13.406 15.172 1.00 70.35 ? 664 GLU A OE1 1 ATOM 2489 O OE2 . GLU A 1 323 ? 1.040 13.314 17.375 1.00 73.22 ? 664 GLU A OE2 1 ATOM 2490 N N . TYR A 1 324 ? 5.374 11.430 19.114 1.00 36.19 ? 665 TYR A N 1 ATOM 2491 C CA . TYR A 1 324 ? 5.887 10.106 19.493 1.00 34.05 ? 665 TYR A CA 1 ATOM 2492 C C . TYR A 1 324 ? 5.821 9.834 21.004 1.00 33.62 ? 665 TYR A C 1 ATOM 2493 O O . TYR A 1 324 ? 5.425 8.754 21.445 1.00 29.34 ? 665 TYR A O 1 ATOM 2494 C CB . TYR A 1 324 ? 7.302 9.930 18.953 1.00 30.14 ? 665 TYR A CB 1 ATOM 2495 C CG . TYR A 1 324 ? 7.890 8.530 19.141 1.00 29.60 ? 665 TYR A CG 1 ATOM 2496 C CD1 . TYR A 1 324 ? 7.109 7.386 18.963 1.00 34.65 ? 665 TYR A CD1 1 ATOM 2497 C CD2 . TYR A 1 324 ? 9.228 8.367 19.469 1.00 28.95 ? 665 TYR A CD2 1 ATOM 2498 C CE1 . TYR A 1 324 ? 7.644 6.110 19.141 1.00 32.73 ? 665 TYR A CE1 1 ATOM 2499 C CE2 . TYR A 1 324 ? 9.772 7.099 19.655 1.00 31.07 ? 665 TYR A CE2 1 ATOM 2500 C CZ . TYR A 1 324 ? 8.974 5.977 19.484 1.00 25.55 ? 665 TYR A CZ 1 ATOM 2501 O OH . TYR A 1 324 ? 9.514 4.734 19.670 1.00 26.08 ? 665 TYR A OH 1 ATOM 2502 N N . VAL A 1 325 ? 6.208 10.825 21.799 1.00 35.31 ? 666 VAL A N 1 ATOM 2503 C CA . VAL A 1 325 ? 6.196 10.684 23.253 1.00 36.64 ? 666 VAL A CA 1 ATOM 2504 C C . VAL A 1 325 ? 4.808 10.323 23.792 1.00 38.32 ? 666 VAL A C 1 ATOM 2505 O O . VAL A 1 325 ? 4.683 9.513 24.700 1.00 39.00 ? 666 VAL A O 1 ATOM 2506 C CB . VAL A 1 325 ? 6.708 11.977 23.958 1.00 37.51 ? 666 VAL A CB 1 ATOM 2507 C CG1 . VAL A 1 325 ? 6.516 11.878 25.442 1.00 36.82 ? 666 VAL A CG1 1 ATOM 2508 C CG2 . VAL A 1 325 ? 8.178 12.214 23.636 1.00 35.43 ? 666 VAL A CG2 1 ATOM 2509 N N . THR A 1 326 ? 3.758 10.919 23.245 1.00 40.85 ? 667 THR A N 1 ATOM 2510 C CA . THR A 1 326 ? 2.427 10.582 23.753 1.00 43.11 ? 667 THR A CA 1 ATOM 2511 C C . THR A 1 326 ? 1.974 9.197 23.275 1.00 40.11 ? 667 THR A C 1 ATOM 2512 O O . THR A 1 326 ? 1.333 8.459 24.028 1.00 41.90 ? 667 THR A O 1 ATOM 2513 C CB . THR A 1 326 ? 1.365 11.705 23.526 1.00 42.24 ? 667 THR A CB 1 ATOM 2514 O OG1 . THR A 1 326 ? 1.025 11.807 22.135 1.00 49.72 ? 667 THR A OG1 1 ATOM 2515 C CG2 . THR A 1 326 ? 1.902 13.033 24.026 1.00 41.99 ? 667 THR A CG2 1 ATOM 2516 N N . ALA A 1 327 ? 2.349 8.835 22.052 1.00 39.19 ? 668 ALA A N 1 ATOM 2517 C CA . ALA A 1 327 ? 2.185 7.455 21.563 1.00 37.56 ? 668 ALA A CA 1 ATOM 2518 C C . ALA A 1 327 ? 2.721 6.434 22.577 1.00 36.64 ? 668 ALA A C 1 ATOM 2519 O O . ALA A 1 327 ? 2.000 5.516 23.000 1.00 35.25 ? 668 ALA A O 1 ATOM 2520 C CB . ALA A 1 327 ? 2.875 7.281 20.215 1.00 38.01 ? 668 ALA A CB 1 ATOM 2521 N N . ILE A 1 328 ? 3.976 6.608 22.991 1.00 35.69 ? 669 ILE A N 1 ATOM 2522 C CA . ILE A 1 328 ? 4.599 5.656 23.918 1.00 35.05 ? 669 ILE A CA 1 ATOM 2523 C C . ILE A 1 328 ? 3.969 5.636 25.305 1.00 36.79 ? 669 ILE A C 1 ATOM 2524 O O . ILE A 1 328 ? 3.791 4.561 25.889 1.00 36.93 ? 669 ILE A O 1 ATOM 2525 C CB . ILE A 1 328 ? 6.091 5.928 24.124 1.00 35.25 ? 669 ILE A CB 1 ATOM 2526 C CG1 . ILE A 1 328 ? 6.849 5.819 22.806 1.00 33.13 ? 669 ILE A CG1 1 ATOM 2527 C CG2 . ILE A 1 328 ? 6.657 4.956 25.145 1.00 30.76 ? 669 ILE A CG2 1 ATOM 2528 C CD1 . ILE A 1 328 ? 8.299 6.235 22.941 1.00 33.93 ? 669 ILE A CD1 1 ATOM 2529 N N . ALA A 1 329 ? 3.681 6.816 25.852 1.00 37.41 ? 670 ALA A N 1 ATOM 2530 C CA . ALA A 1 329 ? 3.084 6.903 27.187 1.00 38.14 ? 670 ALA A CA 1 ATOM 2531 C C . ALA A 1 329 ? 1.761 6.132 27.234 1.00 38.66 ? 670 ALA A C 1 ATOM 2532 O O . ALA A 1 329 ? 1.516 5.369 28.176 1.00 39.11 ? 670 ALA A O 1 ATOM 2533 C CB . ALA A 1 329 ? 2.867 8.356 27.586 1.00 37.76 ? 670 ALA A CB 1 ATOM 2534 N N . ASN A 1 330 ? 0.928 6.336 26.212 1.00 37.93 ? 671 ASN A N 1 ATOM 2535 C CA . ASN A 1 330 ? -0.358 5.654 26.093 1.00 38.73 ? 671 ASN A CA 1 ATOM 2536 C C . ASN A 1 330 ? -0.241 4.140 25.988 1.00 39.14 ? 671 ASN A C 1 ATOM 2537 O O . ASN A 1 330 ? -0.996 3.422 26.644 1.00 39.48 ? 671 ASN A O 1 ATOM 2538 C CB . ASN A 1 330 ? -1.160 6.190 24.897 1.00 38.80 ? 671 ASN A CB 1 ATOM 2539 C CG . ASN A 1 330 ? -1.786 7.575 25.160 1.00 45.95 ? 671 ASN A CG 1 ATOM 2540 O OD1 . ASN A 1 330 ? -2.778 7.701 25.891 1.00 48.76 ? 671 ASN A OD1 1 ATOM 2541 N ND2 . ASN A 1 330 ? -1.221 8.609 24.535 1.00 47.50 ? 671 ASN A ND2 1 ATOM 2542 N N . LEU A 1 331 ? 0.678 3.656 25.146 1.00 37.37 ? 672 LEU A N 1 ATOM 2543 C CA . LEU A 1 331 ? 0.948 2.216 25.022 1.00 36.77 ? 672 LEU A CA 1 ATOM 2544 C C . LEU A 1 331 ? 1.503 1.673 26.334 1.00 39.09 ? 672 LEU A C 1 ATOM 2545 O O . LEU A 1 331 ? 1.130 0.575 26.768 1.00 38.20 ? 672 LEU A O 1 ATOM 2546 C CB . LEU A 1 331 ? 1.916 1.939 23.854 1.00 35.96 ? 672 LEU A CB 1 ATOM 2547 C CG . LEU A 1 331 ? 2.548 0.559 23.651 1.00 36.41 ? 672 LEU A CG 1 ATOM 2548 C CD1 . LEU A 1 331 ? 1.494 -0.530 23.448 1.00 34.52 ? 672 LEU A CD1 1 ATOM 2549 C CD2 . LEU A 1 331 ? 3.534 0.600 22.494 1.00 34.21 ? 672 LEU A CD2 1 ATOM 2550 N N . LYS A 1 332 ? 2.357 2.468 26.982 1.00 41.51 ? 673 LYS A N 1 ATOM 2551 C CA . LYS A 1 332 ? 3.023 2.059 28.221 1.00 46.46 ? 673 LYS A CA 1 ATOM 2552 C C . LYS A 1 332 ? 2.044 1.831 29.371 1.00 47.43 ? 673 LYS A C 1 ATOM 2553 O O . LYS A 1 332 ? 2.341 1.063 30.281 1.00 47.10 ? 673 LYS A O 1 ATOM 2554 C CB . LYS A 1 332 ? 4.109 3.061 28.635 1.00 46.63 ? 673 LYS A CB 1 ATOM 2555 C CG . LYS A 1 332 ? 5.421 2.935 27.853 1.00 51.59 ? 673 LYS A CG 1 ATOM 2556 C CD . LYS A 1 332 ? 6.315 1.840 28.428 1.00 59.67 ? 673 LYS A CD 1 ATOM 2557 C CE . LYS A 1 332 ? 7.503 1.500 27.511 1.00 61.65 ? 673 LYS A CE 1 ATOM 2558 N NZ . LYS A 1 332 ? 8.744 2.272 27.808 1.00 66.83 ? 673 LYS A NZ 1 ATOM 2559 N N . LYS A 1 333 ? 0.877 2.474 29.311 1.00 48.39 ? 674 LYS A N 1 ATOM 2560 C CA . LYS A 1 333 ? -0.152 2.279 30.338 1.00 52.70 ? 674 LYS A CA 1 ATOM 2561 C C . LYS A 1 333 ? -0.827 0.896 30.299 1.00 52.07 ? 674 LYS A C 1 ATOM 2562 O O . LYS A 1 333 ? -1.528 0.514 31.239 1.00 52.44 ? 674 LYS A O 1 ATOM 2563 C CB . LYS A 1 333 ? -1.179 3.430 30.336 1.00 51.93 ? 674 LYS A CB 1 ATOM 2564 C CG . LYS A 1 333 ? -2.359 3.259 29.397 1.00 56.45 ? 674 LYS A CG 1 ATOM 2565 C CD . LYS A 1 333 ? -3.375 4.390 29.600 1.00 58.66 ? 674 LYS A CD 1 ATOM 2566 C CE . LYS A 1 333 ? -4.550 4.316 28.608 1.00 66.95 ? 674 LYS A CE 1 ATOM 2567 N NZ . LYS A 1 333 ? -5.527 3.229 28.934 1.00 68.32 ? 674 LYS A NZ 1 ATOM 2568 N N . CYS A 1 334 ? -0.587 0.131 29.236 1.00 51.71 ? 675 CYS A N 1 ATOM 2569 C CA . CYS A 1 334 ? -1.020 -1.260 29.192 1.00 51.44 ? 675 CYS A CA 1 ATOM 2570 C C . CYS A 1 334 ? -0.098 -2.191 29.975 1.00 53.77 ? 675 CYS A C 1 ATOM 2571 O O . CYS A 1 334 ? -0.535 -3.232 30.466 1.00 54.30 ? 675 CYS A O 1 ATOM 2572 C CB . CYS A 1 334 ? -1.125 -1.757 27.757 1.00 49.46 ? 675 CYS A CB 1 ATOM 2573 S SG . CYS A 1 334 ? -2.427 -1.000 26.818 1.00 46.76 ? 675 CYS A SG 1 ATOM 2574 N N . SER A 1 335 ? 1.176 -1.824 30.088 1.00 56.04 ? 676 SER A N 1 ATOM 2575 C CA . SER A 1 335 ? 2.156 -2.690 30.746 1.00 58.67 ? 676 SER A CA 1 ATOM 2576 C C . SER A 1 335 ? 2.280 -2.424 32.243 1.00 58.51 ? 676 SER A C 1 ATOM 2577 O O . SER A 1 335 ? 1.868 -3.251 33.059 1.00 58.79 ? 676 SER A O 1 ATOM 2578 C CB . SER A 1 335 ? 3.525 -2.592 30.064 1.00 59.58 ? 676 SER A CB 1 ATOM 2579 O OG . SER A 1 335 ? 3.520 -3.302 28.834 1.00 63.07 ? 676 SER A OG 1 ATOM 2580 N N . LEU A 1 340 ? 2.746 7.584 37.844 1.00 72.19 ? 681 LEU A N 1 ATOM 2581 C CA . LEU A 1 340 ? 3.422 6.483 37.164 1.00 72.47 ? 681 LEU A CA 1 ATOM 2582 C C . LEU A 1 340 ? 4.602 7.018 36.335 1.00 71.34 ? 681 LEU A C 1 ATOM 2583 O O . LEU A 1 340 ? 4.807 6.621 35.181 1.00 71.76 ? 681 LEU A O 1 ATOM 2584 C CB . LEU A 1 340 ? 2.422 5.711 36.284 1.00 73.15 ? 681 LEU A CB 1 ATOM 2585 C CG . LEU A 1 340 ? 2.661 4.218 35.998 1.00 74.23 ? 681 LEU A CG 1 ATOM 2586 C CD1 . LEU A 1 340 ? 2.502 3.377 37.271 1.00 74.22 ? 681 LEU A CD1 1 ATOM 2587 C CD2 . LEU A 1 340 ? 1.730 3.709 34.883 1.00 73.25 ? 681 LEU A CD2 1 ATOM 2588 N N . GLU A 1 341 ? 5.378 7.916 36.940 1.00 79.33 ? 682 GLU A N 1 ATOM 2589 C CA . GLU A 1 341 ? 6.474 8.606 36.247 1.00 76.91 ? 682 GLU A CA 1 ATOM 2590 C C . GLU A 1 341 ? 7.816 8.459 36.987 1.00 74.10 ? 682 GLU A C 1 ATOM 2591 O O . GLU A 1 341 ? 8.023 9.076 38.043 1.00 74.91 ? 682 GLU A O 1 ATOM 2592 C CB . GLU A 1 341 ? 6.125 10.092 36.084 1.00 77.30 ? 682 GLU A CB 1 ATOM 2593 C CG . GLU A 1 341 ? 7.254 10.962 35.549 1.00 78.72 ? 682 GLU A CG 1 ATOM 2594 C CD . GLU A 1 341 ? 7.210 12.378 36.107 1.00 70.92 ? 682 GLU A CD 1 ATOM 2595 O OE1 . GLU A 1 341 ? 7.664 12.579 37.257 1.00 71.22 ? 682 GLU A OE1 1 ATOM 2596 O OE2 . GLU A 1 341 ? 6.733 13.289 35.394 1.00 70.67 ? 682 GLU A OE2 1 ATOM 2597 N N . ALA A 1 342 ? 8.724 7.651 36.435 1.00 78.87 ? 683 ALA A N 1 ATOM 2598 C CA . ALA A 1 342 ? 10.029 7.427 37.062 1.00 73.24 ? 683 ALA A CA 1 ATOM 2599 C C . ALA A 1 342 ? 10.970 6.622 36.172 1.00 69.47 ? 683 ALA A C 1 ATOM 2600 O O . ALA A 1 342 ? 10.568 6.108 35.123 1.00 68.85 ? 683 ALA A O 1 ATOM 2601 C CB . ALA A 1 342 ? 9.861 6.729 38.424 1.00 73.69 ? 683 ALA A CB 1 ATOM 2602 N N . CYS A 1 343 ? 12.228 6.521 36.597 1.00 62.23 ? 684 CYS A N 1 ATOM 2603 C CA . CYS A 1 343 ? 13.175 5.602 35.974 1.00 60.52 ? 684 CYS A CA 1 ATOM 2604 C C . CYS A 1 343 ? 12.746 4.144 36.260 1.00 61.36 ? 684 CYS A C 1 ATOM 2605 O O . CYS A 1 343 ? 12.390 3.797 37.396 1.00 61.92 ? 684 CYS A O 1 ATOM 2606 C CB . CYS A 1 343 ? 14.601 5.900 36.458 1.00 57.79 ? 684 CYS A CB 1 ATOM 2607 S SG . CYS A 1 343 ? 15.908 4.855 35.776 1.00 48.37 ? 684 CYS A SG 1 ATOM 2608 N N . ALA A 1 344 ? 12.753 3.318 35.213 1.00 61.35 ? 685 ALA A N 1 ATOM 2609 C CA . ALA A 1 344 ? 12.274 1.931 35.270 1.00 61.65 ? 685 ALA A CA 1 ATOM 2610 C C . ALA A 1 344 ? 13.243 0.963 35.946 1.00 61.73 ? 685 ALA A C 1 ATOM 2611 O O . ALA A 1 344 ? 12.934 -0.222 36.100 1.00 62.05 ? 685 ALA A O 1 ATOM 2612 C CB . ALA A 1 344 ? 11.932 1.425 33.862 1.00 62.22 ? 685 ALA A CB 1 ATOM 2613 N N . PHE A 1 345 ? 14.416 1.460 36.330 1.00 61.32 ? 686 PHE A N 1 ATOM 2614 C CA . PHE A 1 345 ? 15.370 0.666 37.106 1.00 61.07 ? 686 PHE A CA 1 ATOM 2615 C C . PHE A 1 345 ? 15.552 1.324 38.473 1.00 62.67 ? 686 PHE A C 1 ATOM 2616 O O . PHE A 1 345 ? 16.659 1.679 38.877 1.00 63.96 ? 686 PHE A O 1 ATOM 2617 C CB . PHE A 1 345 ? 16.717 0.527 36.376 1.00 59.52 ? 686 PHE A CB 1 ATOM 2618 C CG . PHE A 1 345 ? 16.589 0.346 34.881 1.00 56.04 ? 686 PHE A CG 1 ATOM 2619 C CD1 . PHE A 1 345 ? 16.200 -0.871 34.343 1.00 54.40 ? 686 PHE A CD1 1 ATOM 2620 C CD2 . PHE A 1 345 ? 16.854 1.397 34.019 1.00 51.71 ? 686 PHE A CD2 1 ATOM 2621 C CE1 . PHE A 1 345 ? 16.071 -1.026 32.967 1.00 54.26 ? 686 PHE A CE1 1 ATOM 2622 C CE2 . PHE A 1 345 ? 16.729 1.247 32.646 1.00 51.87 ? 686 PHE A CE2 1 ATOM 2623 C CZ . PHE A 1 345 ? 16.345 0.036 32.119 1.00 51.44 ? 686 PHE A CZ 1 ATOM 2624 O OXT . PHE A 1 345 ? 14.580 1.537 39.207 1.00 63.59 ? 686 PHE A OXT 1 HETATM 2625 C C1 . NAG B 2 . ? -3.524 6.212 20.509 1.00 47.29 ? 1 NAG A C1 1 HETATM 2626 C C2 . NAG B 2 . ? -2.493 7.066 19.773 1.00 44.90 ? 1 NAG A C2 1 HETATM 2627 C C3 . NAG B 2 . ? -2.064 8.268 20.630 1.00 45.69 ? 1 NAG A C3 1 HETATM 2628 C C4 . NAG B 2 . ? -3.290 9.016 21.157 1.00 46.49 ? 1 NAG A C4 1 HETATM 2629 C C5 . NAG B 2 . ? -4.108 8.001 21.948 1.00 51.92 ? 1 NAG A C5 1 HETATM 2630 C C6 . NAG B 2 . ? -5.324 8.620 22.636 1.00 52.21 ? 1 NAG A C6 1 HETATM 2631 C C7 . NAG B 2 . ? -0.877 6.121 18.209 1.00 40.51 ? 1 NAG A C7 1 HETATM 2632 C C8 . NAG B 2 . ? 0.285 5.199 17.985 1.00 37.52 ? 1 NAG A C8 1 HETATM 2633 N N2 . NAG B 2 . ? -1.369 6.207 19.447 1.00 36.54 ? 1 NAG A N2 1 HETATM 2634 O O3 . NAG B 2 . ? -1.222 9.142 19.911 1.00 41.41 ? 1 NAG A O3 1 HETATM 2635 O O4 . NAG B 2 . ? -2.903 10.069 22.026 1.00 52.97 ? 1 NAG A O4 1 HETATM 2636 O O5 . NAG B 2 . ? -4.557 7.007 21.057 1.00 50.30 ? 1 NAG A O5 1 HETATM 2637 O O6 . NAG B 2 . ? -6.084 9.261 21.633 1.00 50.90 ? 1 NAG A O6 1 HETATM 2638 O O7 . NAG B 2 . ? -1.337 6.763 17.260 1.00 44.62 ? 1 NAG A O7 1 HETATM 2639 C C1 . NAG C 2 . ? -3.296 11.395 21.616 1.00 59.54 ? 2 NAG A C1 1 HETATM 2640 C C2 . NAG C 2 . ? -3.271 12.375 22.802 1.00 61.00 ? 2 NAG A C2 1 HETATM 2641 C C3 . NAG C 2 . ? -3.621 13.813 22.409 1.00 65.32 ? 2 NAG A C3 1 HETATM 2642 C C4 . NAG C 2 . ? -2.948 14.283 21.118 1.00 67.66 ? 2 NAG A C4 1 HETATM 2643 C C5 . NAG C 2 . ? -2.881 13.167 20.062 1.00 63.97 ? 2 NAG A C5 1 HETATM 2644 C C6 . NAG C 2 . ? -1.899 13.545 18.958 1.00 60.18 ? 2 NAG A C6 1 HETATM 2645 C C7 . NAG C 2 . ? -3.779 11.553 25.046 1.00 62.89 ? 2 NAG A C7 1 HETATM 2646 C C8 . NAG C 2 . ? -4.744 10.746 25.869 1.00 62.59 ? 2 NAG A C8 1 HETATM 2647 N N2 . NAG C 2 . ? -4.192 11.964 23.846 1.00 59.24 ? 2 NAG A N2 1 HETATM 2648 O O3 . NAG C 2 . ? -3.267 14.690 23.464 1.00 67.72 ? 2 NAG A O3 1 HETATM 2649 O O4 . NAG C 2 . ? -3.701 15.340 20.540 1.00 79.04 ? 2 NAG A O4 1 HETATM 2650 O O5 . NAG C 2 . ? -2.485 11.907 20.578 1.00 61.76 ? 2 NAG A O5 1 HETATM 2651 O O6 . NAG C 2 . ? -0.590 13.528 19.494 1.00 54.85 ? 2 NAG A O6 1 HETATM 2652 O O7 . NAG C 2 . ? -2.659 11.800 25.493 1.00 66.99 ? 2 NAG A O7 1 HETATM 2653 C C1 . BMA D 3 . ? -3.565 16.670 21.073 1.00 77.76 ? 3 BMA A C1 1 HETATM 2654 C C2 . BMA D 3 . ? -2.143 17.031 21.494 1.00 70.42 ? 3 BMA A C2 1 HETATM 2655 C C3 . BMA D 3 . ? -2.142 18.389 22.201 1.00 72.55 ? 3 BMA A C3 1 HETATM 2656 C C4 . BMA D 3 . ? -2.856 19.480 21.392 1.00 74.47 ? 3 BMA A C4 1 HETATM 2657 C C5 . BMA D 3 . ? -4.039 18.988 20.525 1.00 74.34 ? 3 BMA A C5 1 HETATM 2658 C C6 . BMA D 3 . ? -4.123 19.799 19.230 1.00 74.91 ? 3 BMA A C6 1 HETATM 2659 O O2 . BMA D 3 . ? -1.306 17.082 20.351 1.00 78.03 ? 3 BMA A O2 1 HETATM 2660 O O3 . BMA D 3 . ? -0.815 18.816 22.424 1.00 74.32 ? 3 BMA A O3 1 HETATM 2661 O O4 . BMA D 3 . ? -3.244 20.595 22.212 1.00 77.08 ? 3 BMA A O4 1 HETATM 2662 O O5 . BMA D 3 . ? -3.971 17.627 20.115 1.00 71.23 ? 3 BMA A O5 1 HETATM 2663 O O6 . BMA D 3 . ? -3.092 19.397 18.343 1.00 74.15 ? 3 BMA A O6 1 HETATM 2664 C C1 . MAN E 4 . ? -3.813 20.232 23.486 1.00 77.80 ? 4 MAN A C1 1 HETATM 2665 C C2 . MAN E 4 . ? -5.332 20.464 23.556 1.00 78.97 ? 4 MAN A C2 1 HETATM 2666 C C3 . MAN E 4 . ? -5.689 21.940 23.790 1.00 78.29 ? 4 MAN A C3 1 HETATM 2667 C C4 . MAN E 4 . ? -4.896 22.547 24.943 1.00 75.44 ? 4 MAN A C4 1 HETATM 2668 C C5 . MAN E 4 . ? -3.405 22.198 24.870 1.00 72.99 ? 4 MAN A C5 1 HETATM 2669 C C6 . MAN E 4 . ? -2.743 22.561 26.198 1.00 70.93 ? 4 MAN A C6 1 HETATM 2670 O O2 . MAN E 4 . ? -5.896 19.659 24.578 1.00 78.27 ? 4 MAN A O2 1 HETATM 2671 O O3 . MAN E 4 . ? -7.071 22.100 24.069 1.00 79.36 ? 4 MAN A O3 1 HETATM 2672 O O4 . MAN E 4 . ? -5.083 23.952 24.917 1.00 72.68 ? 4 MAN A O4 1 HETATM 2673 O O5 . MAN E 4 . ? -3.170 20.815 24.620 1.00 76.35 ? 4 MAN A O5 1 HETATM 2674 O O6 . MAN E 4 . ? -2.178 23.856 26.131 1.00 74.93 ? 4 MAN A O6 1 HETATM 2675 C C1 . BMA F 3 . ? -2.150 20.474 18.205 1.00 71.40 ? 5 BMA A C1 1 HETATM 2676 C C2 . BMA F 3 . ? -0.922 20.227 19.067 1.00 77.49 ? 5 BMA A C2 1 HETATM 2677 C C3 . BMA F 3 . ? -0.148 21.539 19.144 1.00 77.28 ? 5 BMA A C3 1 HETATM 2678 C C4 . BMA F 3 . ? 0.191 22.046 17.737 1.00 76.82 ? 5 BMA A C4 1 HETATM 2679 C C5 . BMA F 3 . ? -1.020 21.998 16.797 1.00 79.53 ? 5 BMA A C5 1 HETATM 2680 C C6 . BMA F 3 . ? -0.593 22.253 15.351 1.00 79.54 ? 5 BMA A C6 1 HETATM 2681 O O2 . BMA F 3 . ? -0.139 19.218 18.468 1.00 75.65 ? 5 BMA A O2 1 HETATM 2682 O O3 . BMA F 3 . ? 1.018 21.361 19.923 1.00 72.75 ? 5 BMA A O3 1 HETATM 2683 O O4 . BMA F 3 . ? 0.688 23.366 17.802 1.00 70.45 ? 5 BMA A O4 1 HETATM 2684 O O5 . BMA F 3 . ? -1.709 20.753 16.887 1.00 72.93 ? 5 BMA A O5 1 HETATM 2685 O O6 . BMA F 3 . ? -1.303 23.369 14.829 1.00 76.32 ? 5 BMA A O6 1 HETATM 2686 C C1 . NAG G 2 . ? 43.541 9.653 20.720 1.00 46.72 ? 687 NAG A C1 1 HETATM 2687 C C2 . NAG G 2 . ? 43.785 9.973 19.237 1.00 50.96 ? 687 NAG A C2 1 HETATM 2688 C C3 . NAG G 2 . ? 44.878 11.041 19.088 1.00 54.16 ? 687 NAG A C3 1 HETATM 2689 C C4 . NAG G 2 . ? 44.587 12.281 19.939 1.00 59.85 ? 687 NAG A C4 1 HETATM 2690 C C5 . NAG G 2 . ? 44.194 11.869 21.366 1.00 58.99 ? 687 NAG A C5 1 HETATM 2691 C C6 . NAG G 2 . ? 43.644 13.051 22.176 1.00 59.07 ? 687 NAG A C6 1 HETATM 2692 C C7 . NAG G 2 . ? 43.296 8.043 17.717 1.00 47.90 ? 687 NAG A C7 1 HETATM 2693 C C8 . NAG G 2 . ? 43.950 6.965 16.900 1.00 42.07 ? 687 NAG A C8 1 HETATM 2694 N N2 . NAG G 2 . ? 44.136 8.781 18.470 1.00 49.25 ? 687 NAG A N2 1 HETATM 2695 O O3 . NAG G 2 . ? 45.004 11.432 17.734 1.00 55.08 ? 687 NAG A O3 1 HETATM 2696 O O4 . NAG G 2 . ? 45.712 13.164 19.925 1.00 70.19 ? 687 NAG A O4 1 HETATM 2697 O O5 . NAG G 2 . ? 43.195 10.859 21.354 1.00 52.45 ? 687 NAG A O5 1 HETATM 2698 O O6 . NAG G 2 . ? 42.556 13.635 21.482 1.00 64.67 ? 687 NAG A O6 1 HETATM 2699 O O7 . NAG G 2 . ? 42.063 8.175 17.668 1.00 40.66 ? 687 NAG A O7 1 HETATM 2700 C C1 . NAG H 2 . ? 45.456 14.375 19.192 1.00 78.01 ? 688 NAG A C1 1 HETATM 2701 C C2 . NAG H 2 . ? 46.340 15.552 19.672 1.00 70.97 ? 688 NAG A C2 1 HETATM 2702 C C3 . NAG H 2 . ? 46.489 16.738 18.696 1.00 71.75 ? 688 NAG A C3 1 HETATM 2703 C C4 . NAG H 2 . ? 46.422 16.304 17.234 1.00 72.23 ? 688 NAG A C4 1 HETATM 2704 C C5 . NAG H 2 . ? 45.187 15.416 17.070 1.00 72.01 ? 688 NAG A C5 1 HETATM 2705 C C6 . NAG H 2 . ? 44.809 15.172 15.603 1.00 70.93 ? 688 NAG A C6 1 HETATM 2706 C C7 . NAG H 2 . ? 46.380 15.705 22.107 1.00 73.26 ? 688 NAG A C7 1 HETATM 2707 C C8 . NAG H 2 . ? 45.879 16.417 23.337 1.00 74.55 ? 688 NAG A C8 1 HETATM 2708 N N2 . NAG H 2 . ? 45.823 16.051 20.939 1.00 72.08 ? 688 NAG A N2 1 HETATM 2709 O O3 . NAG H 2 . ? 47.705 17.440 18.905 1.00 79.43 ? 688 NAG A O3 1 HETATM 2710 O O4 . NAG H 2 . ? 46.388 17.440 16.390 1.00 72.54 ? 688 NAG A O4 1 HETATM 2711 O O5 . NAG H 2 . ? 45.455 14.214 17.776 1.00 70.02 ? 688 NAG A O5 1 HETATM 2712 O O6 . NAG H 2 . ? 44.842 13.782 15.277 1.00 70.49 ? 688 NAG A O6 1 HETATM 2713 O O7 . NAG H 2 . ? 47.262 14.847 22.200 1.00 73.61 ? 688 NAG A O7 1 HETATM 2714 C C1 . NAG I 2 . ? 13.397 4.169 1.373 1.00 30.29 ? 689 NAG A C1 1 HETATM 2715 C C2 . NAG I 2 . ? 13.462 5.624 0.864 1.00 34.29 ? 689 NAG A C2 1 HETATM 2716 C C3 . NAG I 2 . ? 14.381 5.759 -0.358 1.00 38.01 ? 689 NAG A C3 1 HETATM 2717 C C4 . NAG I 2 . ? 15.764 5.122 -0.142 1.00 38.47 ? 689 NAG A C4 1 HETATM 2718 C C5 . NAG I 2 . ? 15.600 3.705 0.440 1.00 32.16 ? 689 NAG A C5 1 HETATM 2719 C C6 . NAG I 2 . ? 16.941 3.115 0.881 1.00 30.21 ? 689 NAG A C6 1 HETATM 2720 C C7 . NAG I 2 . ? 11.507 7.066 1.169 1.00 33.66 ? 689 NAG A C7 1 HETATM 2721 C C8 . NAG I 2 . ? 10.095 7.354 0.761 1.00 33.72 ? 689 NAG A C8 1 HETATM 2722 N N2 . NAG I 2 . ? 12.137 6.101 0.507 1.00 32.41 ? 689 NAG A N2 1 HETATM 2723 O O3 . NAG I 2 . ? 14.462 7.133 -0.691 1.00 41.75 ? 689 NAG A O3 1 HETATM 2724 O O4 . NAG I 2 . ? 16.438 4.997 -1.380 1.00 43.20 ? 689 NAG A O4 1 HETATM 2725 O O5 . NAG I 2 . ? 14.726 3.696 1.546 1.00 28.75 ? 689 NAG A O5 1 HETATM 2726 O O6 . NAG I 2 . ? 17.517 3.996 1.826 1.00 30.47 ? 689 NAG A O6 1 HETATM 2727 O O7 . NAG I 2 . ? 12.026 7.703 2.086 1.00 39.19 ? 689 NAG A O7 1 HETATM 2728 C C1 . NAG J 2 . ? 17.758 5.581 -1.418 1.00 48.80 ? 690 NAG A C1 1 HETATM 2729 C C2 . NAG J 2 . ? 18.711 4.848 -2.379 1.00 50.24 ? 690 NAG A C2 1 HETATM 2730 C C3 . NAG J 2 . ? 20.019 5.636 -2.597 1.00 57.47 ? 690 NAG A C3 1 HETATM 2731 C C4 . NAG J 2 . ? 19.764 7.117 -2.886 1.00 64.54 ? 690 NAG A C4 1 HETATM 2732 C C5 . NAG J 2 . ? 18.777 7.689 -1.870 1.00 60.91 ? 690 NAG A C5 1 HETATM 2733 C C6 . NAG J 2 . ? 18.433 9.132 -2.234 1.00 61.26 ? 690 NAG A C6 1 HETATM 2734 C C7 . NAG J 2 . ? 18.805 2.365 -2.600 1.00 48.97 ? 690 NAG A C7 1 HETATM 2735 C C8 . NAG J 2 . ? 19.515 1.151 -2.072 1.00 46.80 ? 690 NAG A C8 1 HETATM 2736 N N2 . NAG J 2 . ? 19.012 3.501 -1.909 1.00 47.52 ? 690 NAG A N2 1 HETATM 2737 O O3 . NAG J 2 . ? 20.771 5.105 -3.678 1.00 55.60 ? 690 NAG A O3 1 HETATM 2738 O O4 . NAG J 2 . ? 20.982 7.848 -2.846 1.00 75.98 ? 690 NAG A O4 1 HETATM 2739 O O5 . NAG J 2 . ? 17.596 6.907 -1.863 1.00 54.53 ? 690 NAG A O5 1 HETATM 2740 O O6 . NAG J 2 . ? 17.770 9.774 -1.165 1.00 61.06 ? 690 NAG A O6 1 HETATM 2741 O O7 . NAG J 2 . ? 18.089 2.250 -3.605 1.00 44.78 ? 690 NAG A O7 1 HETATM 2742 C C1 . BMA K 3 . ? 21.432 8.246 -4.152 1.00 71.60 ? 691 BMA A C1 1 HETATM 2743 C C2 . BMA K 3 . ? 22.193 9.591 -4.139 1.00 74.18 ? 691 BMA A C2 1 HETATM 2744 C C3 . BMA K 3 . ? 23.639 9.552 -4.674 1.00 78.52 ? 691 BMA A C3 1 HETATM 2745 C C4 . BMA K 3 . ? 23.843 8.608 -5.873 1.00 70.72 ? 691 BMA A C4 1 HETATM 2746 C C5 . BMA K 3 . ? 22.701 7.595 -6.044 1.00 78.28 ? 691 BMA A C5 1 HETATM 2747 C C6 . BMA K 3 . ? 23.215 6.325 -6.722 1.00 78.63 ? 691 BMA A C6 1 HETATM 2748 O O2 . BMA K 3 . ? 22.203 10.162 -2.845 1.00 73.68 ? 691 BMA A O2 1 HETATM 2749 O O3 . BMA K 3 . ? 24.555 9.214 -3.643 1.00 75.96 ? 691 BMA A O3 1 HETATM 2750 O O4 . BMA K 3 . ? 24.120 9.270 -7.114 1.00 75.84 ? 691 BMA A O4 1 HETATM 2751 O O5 . BMA K 3 . ? 22.171 7.224 -4.787 1.00 70.96 ? 691 BMA A O5 1 HETATM 2752 O O6 . BMA K 3 . ? 22.201 5.789 -7.562 1.00 78.39 ? 691 BMA A O6 1 HETATM 2753 C C1 . BMA L 3 . ? 23.840 10.679 -7.230 1.00 79.74 ? 692 BMA A C1 1 HETATM 2754 C C2 . BMA L 3 . ? 22.393 10.935 -7.698 1.00 71.25 ? 692 BMA A C2 1 HETATM 2755 C C3 . BMA L 3 . ? 22.171 12.432 -7.927 1.00 72.54 ? 692 BMA A C3 1 HETATM 2756 C C4 . BMA L 3 . ? 22.651 13.257 -6.725 1.00 72.39 ? 692 BMA A C4 1 HETATM 2757 C C5 . BMA L 3 . ? 24.116 12.897 -6.421 1.00 73.38 ? 692 BMA A C5 1 HETATM 2758 C C6 . BMA L 3 . ? 24.779 13.757 -5.325 1.00 73.95 ? 692 BMA A C6 1 HETATM 2759 O O2 . BMA L 3 . ? 21.428 10.428 -6.790 1.00 77.75 ? 692 BMA A O2 1 HETATM 2760 O O3 . BMA L 3 . ? 20.808 12.684 -8.221 1.00 72.28 ? 692 BMA A O3 1 HETATM 2761 O O4 . BMA L 3 . ? 22.518 14.633 -7.034 1.00 71.74 ? 692 BMA A O4 1 HETATM 2762 O O5 . BMA L 3 . ? 24.212 11.505 -6.128 1.00 71.82 ? 692 BMA A O5 1 HETATM 2763 O O6 . BMA L 3 . ? 24.046 13.770 -4.112 1.00 74.37 ? 692 BMA A O6 1 HETATM 2764 C C1 . MAN M 4 . ? 21.597 15.307 -6.160 1.00 71.81 ? 693 MAN A C1 1 HETATM 2765 C C2 . MAN M 4 . ? 20.201 14.658 -6.136 1.00 79.51 ? 693 MAN A C2 1 HETATM 2766 C C3 . MAN M 4 . ? 19.066 15.696 -6.173 1.00 77.80 ? 693 MAN A C3 1 HETATM 2767 C C4 . MAN M 4 . ? 19.236 16.716 -7.310 1.00 79.41 ? 693 MAN A C4 1 HETATM 2768 C C5 . MAN M 4 . ? 20.714 17.029 -7.583 1.00 72.24 ? 693 MAN A C5 1 HETATM 2769 C C6 . MAN M 4 . ? 20.908 18.519 -7.884 1.00 74.27 ? 693 MAN A C6 1 HETATM 2770 O O2 . MAN M 4 . ? 20.062 13.815 -5.005 1.00 77.28 ? 693 MAN A O2 1 HETATM 2771 O O3 . MAN M 4 . ? 18.930 16.388 -4.938 1.00 75.83 ? 693 MAN A O3 1 HETATM 2772 O O4 . MAN M 4 . ? 18.539 16.280 -8.472 1.00 77.82 ? 693 MAN A O4 1 HETATM 2773 O O5 . MAN M 4 . ? 21.501 16.697 -6.445 1.00 72.99 ? 693 MAN A O5 1 HETATM 2774 O O6 . MAN M 4 . ? 20.919 18.769 -9.277 1.00 73.76 ? 693 MAN A O6 1 HETATM 2775 C C1 . BMA N 3 . ? 17.133 16.343 -8.175 1.00 78.41 ? 694 BMA A C1 1 HETATM 2776 C C2 . BMA N 3 . ? 16.254 16.590 -9.418 1.00 78.01 ? 694 BMA A C2 1 HETATM 2777 C C3 . BMA N 3 . ? 14.743 16.465 -9.129 1.00 77.48 ? 694 BMA A C3 1 HETATM 2778 C C4 . BMA N 3 . ? 14.389 15.417 -8.063 1.00 76.51 ? 694 BMA A C4 1 HETATM 2779 C C5 . BMA N 3 . ? 15.373 15.506 -6.897 1.00 78.41 ? 694 BMA A C5 1 HETATM 2780 C C6 . BMA N 3 . ? 15.007 14.617 -5.701 1.00 79.17 ? 694 BMA A C6 1 HETATM 2781 O O2 . BMA N 3 . ? 16.641 15.759 -10.502 1.00 75.92 ? 694 BMA A O2 1 HETATM 2782 O O3 . BMA N 3 . ? 14.049 16.152 -10.321 1.00 71.04 ? 694 BMA A O3 1 HETATM 2783 O O4 . BMA N 3 . ? 13.061 15.597 -7.603 1.00 79.47 ? 694 BMA A O4 1 HETATM 2784 O O5 . BMA N 3 . ? 16.668 15.238 -7.409 1.00 79.54 ? 694 BMA A O5 1 HETATM 2785 O O6 . BMA N 3 . ? 15.098 13.242 -6.023 1.00 70.13 ? 694 BMA A O6 1 HETATM 2786 C C1 . LAK O 5 . ? 10.005 17.788 17.912 0.50 30.37 ? 1001 LAK A C1 1 HETATM 2787 C C2 . LAK O 5 . ? 9.556 18.989 18.746 0.50 35.02 ? 1001 LAK A C2 1 HETATM 2788 C C3 . LAK O 5 . ? 8.436 18.462 19.634 0.50 37.26 ? 1001 LAK A C3 1 HETATM 2789 C C4 . LAK O 5 . ? 7.286 17.967 18.753 0.50 38.76 ? 1001 LAK A C4 1 HETATM 2790 C C5 . LAK O 5 . ? 7.794 17.112 17.575 0.50 39.91 ? 1001 LAK A C5 1 HETATM 2791 C C6 . LAK O 5 . ? 6.705 16.821 16.547 0.50 37.67 ? 1001 LAK A C6 1 HETATM 2792 O O1 . LAK O 5 . ? 11.351 17.865 17.397 0.50 32.91 ? 1001 LAK A O1 1 HETATM 2793 O O2 . LAK O 5 . ? 10.599 19.591 19.522 0.50 31.42 ? 1001 LAK A O2 1 HETATM 2794 O O3 . LAK O 5 . ? 7.981 19.453 20.562 0.50 31.89 ? 1001 LAK A O3 1 HETATM 2795 O O4 . LAK O 5 . ? 6.506 19.069 18.276 0.50 32.69 ? 1001 LAK A O4 1 HETATM 2796 O O5 . LAK O 5 . ? 8.976 17.626 16.929 0.50 32.55 ? 1001 LAK A O5 1 HETATM 2797 O O6 . LAK O 5 . ? 6.492 15.401 16.563 0.50 32.00 ? 1001 LAK A O6 1 HETATM 2798 C "C1'" . LAK O 5 . ? 10.451 14.081 14.858 0.50 30.08 ? 1001 LAK A "C1'" 1 HETATM 2799 C "C2'" . LAK O 5 . ? 11.683 13.916 13.974 0.50 39.85 ? 1001 LAK A "C2'" 1 HETATM 2800 C "C3'" . LAK O 5 . ? 12.875 13.910 14.916 0.50 31.14 ? 1001 LAK A "C3'" 1 HETATM 2801 C "C4'" . LAK O 5 . ? 12.970 15.296 15.553 0.50 39.65 ? 1001 LAK A "C4'" 1 HETATM 2802 C "C5'" . LAK O 5 . ? 11.623 15.831 16.105 0.50 39.31 ? 1001 LAK A "C5'" 1 HETATM 2803 C "C6'" . LAK O 5 . ? 11.565 17.363 16.072 0.50 37.44 ? 1001 LAK A "C6'" 1 HETATM 2804 O "O1'" . LAK O 5 . ? 10.485 13.184 15.976 0.50 39.80 ? 1001 LAK A "O1'" 1 HETATM 2805 O "O2'" . LAK O 5 . ? 11.626 12.727 13.181 0.50 37.40 ? 1001 LAK A "O2'" 1 HETATM 2806 O "O3'" . LAK O 5 . ? 14.086 13.527 14.236 0.50 31.89 ? 1001 LAK A "O3'" 1 HETATM 2807 O "O4'" . LAK O 5 . ? 13.946 15.198 16.595 0.50 36.24 ? 1001 LAK A "O4'" 1 HETATM 2808 O "O5'" . LAK O 5 . ? 10.458 15.413 15.365 0.50 31.33 ? 1001 LAK A "O5'" 1 HETATM 2809 FE FE . FE P 6 . ? 14.537 2.129 15.044 1.00 21.16 ? 1002 FE A FE 1 HETATM 2810 C C . CO3 Q 7 . ? 13.232 0.101 15.410 1.00 17.85 ? 1003 CO3 A C 1 HETATM 2811 O O1 . CO3 Q 7 . ? 14.511 0.099 15.679 1.00 20.40 ? 1003 CO3 A O1 1 HETATM 2812 O O2 . CO3 Q 7 . ? 12.632 1.177 15.070 1.00 20.44 ? 1003 CO3 A O2 1 HETATM 2813 O O3 . CO3 Q 7 . ? 12.513 -0.949 15.469 1.00 15.04 ? 1003 CO3 A O3 1 HETATM 2814 ZN ZN . ZN R 8 . ? 14.748 22.907 24.257 1.00 20.48 ? 1004 ZN A ZN 1 HETATM 2815 ZN ZN . ZN S 8 . ? 3.117 10.386 7.339 1.00 24.78 ? 1005 ZN A ZN 1 HETATM 2816 S S . SO4 T 9 . ? -1.403 -6.483 -4.781 0.50 27.56 ? 1006 SO4 A S 1 HETATM 2817 O O1 . SO4 T 9 . ? -1.284 -6.513 -6.233 0.50 21.88 ? 1006 SO4 A O1 1 HETATM 2818 O O2 . SO4 T 9 . ? -2.526 -5.639 -4.388 0.50 27.54 ? 1006 SO4 A O2 1 HETATM 2819 O O3 . SO4 T 9 . ? -1.607 -7.843 -4.287 0.50 22.26 ? 1006 SO4 A O3 1 HETATM 2820 O O4 . SO4 T 9 . ? -0.176 -5.930 -4.237 0.50 28.17 ? 1006 SO4 A O4 1 HETATM 2821 O O . HOH U 10 . ? 11.397 -10.891 14.214 1.00 17.73 ? 1007 HOH A O 1 HETATM 2822 O O . HOH U 10 . ? 16.943 3.270 12.199 1.00 22.46 ? 1008 HOH A O 1 HETATM 2823 O O . HOH U 10 . ? 13.429 5.498 16.637 1.00 20.56 ? 1009 HOH A O 1 HETATM 2824 O O . HOH U 10 . ? 27.550 -0.162 11.201 1.00 27.62 ? 1010 HOH A O 1 HETATM 2825 O O . HOH U 10 . ? 25.870 1.504 19.881 1.00 22.28 ? 1011 HOH A O 1 HETATM 2826 O O . HOH U 10 . ? 12.949 5.571 5.763 1.00 21.27 ? 1012 HOH A O 1 HETATM 2827 O O . HOH U 10 . ? 22.937 -0.073 20.838 1.00 20.57 ? 1013 HOH A O 1 HETATM 2828 O O . HOH U 10 . ? 25.531 -0.851 21.268 1.00 18.68 ? 1014 HOH A O 1 HETATM 2829 O O . HOH U 10 . ? 25.928 -8.620 19.260 1.00 27.31 ? 1015 HOH A O 1 HETATM 2830 O O . HOH U 10 . ? 5.342 -14.612 4.501 1.00 24.89 ? 1016 HOH A O 1 HETATM 2831 O O . HOH U 10 . ? -3.591 -2.220 4.308 1.00 26.36 ? 1017 HOH A O 1 HETATM 2832 O O . HOH U 10 . ? 14.198 -4.889 23.473 1.00 26.70 ? 1018 HOH A O 1 HETATM 2833 O O . HOH U 10 . ? 19.551 -0.897 14.136 1.00 26.49 ? 1019 HOH A O 1 HETATM 2834 O O . HOH U 10 . ? 27.694 8.882 30.222 1.00 23.36 ? 1020 HOH A O 1 HETATM 2835 O O . HOH U 10 . ? 3.405 0.635 5.718 1.00 19.80 ? 1021 HOH A O 1 HETATM 2836 O O . HOH U 10 . ? 17.675 -1.837 7.915 1.00 24.98 ? 1022 HOH A O 1 HETATM 2837 O O . HOH U 10 . ? 3.433 -12.312 3.877 1.00 24.87 ? 1023 HOH A O 1 HETATM 2838 O O . HOH U 10 . ? 18.256 -5.171 23.478 1.00 27.48 ? 1024 HOH A O 1 HETATM 2839 O O . HOH U 10 . ? 5.503 -12.642 -2.966 1.00 31.59 ? 1025 HOH A O 1 HETATM 2840 O O . HOH U 10 . ? 19.778 -13.253 10.819 1.00 26.39 ? 1026 HOH A O 1 HETATM 2841 O O . HOH U 10 . ? 22.196 12.316 33.236 1.00 29.13 ? 1027 HOH A O 1 HETATM 2842 O O . HOH U 10 . ? -0.447 4.309 5.891 1.00 27.04 ? 1028 HOH A O 1 HETATM 2843 O O . HOH U 10 . ? 23.043 -1.130 18.174 1.00 26.07 ? 1029 HOH A O 1 HETATM 2844 O O . HOH U 10 . ? 6.424 -0.335 11.618 1.00 25.90 ? 1030 HOH A O 1 HETATM 2845 O O . HOH U 10 . ? 7.414 7.135 -1.626 1.00 27.83 ? 1031 HOH A O 1 HETATM 2846 O O . HOH U 10 . ? 21.721 -4.756 14.977 1.00 31.85 ? 1032 HOH A O 1 HETATM 2847 O O . HOH U 10 . ? 22.926 -6.961 19.341 1.00 25.04 ? 1033 HOH A O 1 HETATM 2848 O O . HOH U 10 . ? 22.682 -4.793 17.518 1.00 27.43 ? 1034 HOH A O 1 HETATM 2849 O O . HOH U 10 . ? 32.322 4.035 8.155 1.00 28.03 ? 1035 HOH A O 1 HETATM 2850 O O . HOH U 10 . ? 19.296 0.101 9.080 1.00 30.18 ? 1036 HOH A O 1 HETATM 2851 O O . HOH U 10 . ? 18.913 0.429 19.651 1.00 28.62 ? 1037 HOH A O 1 HETATM 2852 O O . HOH U 10 . ? 20.780 5.895 9.583 1.00 26.41 ? 1038 HOH A O 1 HETATM 2853 O O . HOH U 10 . ? 18.441 5.759 12.565 1.00 23.32 ? 1039 HOH A O 1 HETATM 2854 O O . HOH U 10 . ? 19.849 -8.691 -1.980 1.00 36.30 ? 1040 HOH A O 1 HETATM 2855 O O . HOH U 10 . ? 23.947 -3.965 33.432 1.00 24.27 ? 1041 HOH A O 1 HETATM 2856 O O . HOH U 10 . ? 19.491 -5.096 11.871 1.00 26.20 ? 1042 HOH A O 1 HETATM 2857 O O . HOH U 10 . ? 24.084 -8.139 30.599 1.00 28.30 ? 1043 HOH A O 1 HETATM 2858 O O . HOH U 10 . ? 19.482 14.652 6.738 1.00 41.58 ? 1044 HOH A O 1 HETATM 2859 O O . HOH U 10 . ? 33.657 -2.266 10.316 1.00 38.06 ? 1045 HOH A O 1 HETATM 2860 O O . HOH U 10 . ? 16.914 15.098 28.413 1.00 26.61 ? 1046 HOH A O 1 HETATM 2861 O O . HOH U 10 . ? 1.049 6.873 5.036 1.00 30.45 ? 1047 HOH A O 1 HETATM 2862 O O . HOH U 10 . ? 21.492 2.015 15.388 1.00 32.37 ? 1048 HOH A O 1 HETATM 2863 O O . HOH U 10 . ? 28.768 7.257 32.288 1.00 28.62 ? 1049 HOH A O 1 HETATM 2864 O O . HOH U 10 . ? 7.357 -19.461 22.704 1.00 31.01 ? 1050 HOH A O 1 HETATM 2865 O O . HOH U 10 . ? 18.753 -3.348 14.229 1.00 27.93 ? 1051 HOH A O 1 HETATM 2866 O O . HOH U 10 . ? 20.380 -1.391 20.986 1.00 26.00 ? 1052 HOH A O 1 HETATM 2867 O O . HOH U 10 . ? 7.316 12.851 17.305 1.00 33.25 ? 1053 HOH A O 1 HETATM 2868 O O . HOH U 10 . ? -0.684 -15.856 -4.365 1.00 23.92 ? 1054 HOH A O 1 HETATM 2869 O O . HOH U 10 . ? -0.309 4.735 21.671 1.00 33.04 ? 1055 HOH A O 1 HETATM 2870 O O . HOH U 10 . ? 28.059 -6.521 31.705 1.00 32.25 ? 1056 HOH A O 1 HETATM 2871 O O . HOH U 10 . ? 0.101 -10.579 19.493 1.00 32.27 ? 1057 HOH A O 1 HETATM 2872 O O . HOH U 10 . ? -4.815 -2.598 -2.256 1.00 32.29 ? 1058 HOH A O 1 HETATM 2873 O O . HOH U 10 . ? 22.425 -0.535 15.454 1.00 29.05 ? 1059 HOH A O 1 HETATM 2874 O O . HOH U 10 . ? 31.308 -8.392 14.585 1.00 31.38 ? 1060 HOH A O 1 HETATM 2875 O O . HOH U 10 . ? 41.942 8.363 37.438 1.00 42.56 ? 1061 HOH A O 1 HETATM 2876 O O . HOH U 10 . ? 17.261 4.537 8.031 1.00 32.25 ? 1062 HOH A O 1 HETATM 2877 O O . HOH U 10 . ? 1.715 -13.119 19.284 1.00 27.10 ? 1063 HOH A O 1 HETATM 2878 O O . HOH U 10 . ? 17.223 -15.056 -1.369 1.00 36.45 ? 1064 HOH A O 1 HETATM 2879 O O . HOH U 10 . ? 6.042 -11.283 27.150 1.00 36.10 ? 1065 HOH A O 1 HETATM 2880 O O . HOH U 10 . ? 16.567 -4.367 26.539 1.00 26.79 ? 1066 HOH A O 1 HETATM 2881 O O . HOH U 10 . ? -1.895 2.793 22.369 1.00 34.78 ? 1067 HOH A O 1 HETATM 2882 O O . HOH U 10 . ? 13.425 0.164 27.113 1.00 36.21 ? 1068 HOH A O 1 HETATM 2883 O O . HOH U 10 . ? 31.862 -5.632 30.075 1.00 35.08 ? 1069 HOH A O 1 HETATM 2884 O O . HOH U 10 . ? 24.899 -10.563 30.656 1.00 34.46 ? 1070 HOH A O 1 HETATM 2885 O O . HOH U 10 . ? 9.973 2.244 24.529 1.00 28.46 ? 1071 HOH A O 1 HETATM 2886 O O . HOH U 10 . ? 16.939 13.259 30.440 1.00 32.77 ? 1072 HOH A O 1 HETATM 2887 O O . HOH U 10 . ? 13.522 -20.340 11.557 1.00 40.05 ? 1073 HOH A O 1 HETATM 2888 O O . HOH U 10 . ? 22.004 -15.329 27.600 1.00 32.63 ? 1074 HOH A O 1 HETATM 2889 O O . HOH U 10 . ? 31.269 9.980 8.529 1.00 33.28 ? 1075 HOH A O 1 HETATM 2890 O O . HOH U 10 . ? -0.905 -17.112 9.327 1.00 33.33 ? 1076 HOH A O 1 HETATM 2891 O O . HOH U 10 . ? 4.854 -2.010 25.259 1.00 37.06 ? 1077 HOH A O 1 HETATM 2892 O O . HOH U 10 . ? 20.810 -11.868 13.964 1.00 33.38 ? 1078 HOH A O 1 HETATM 2893 O O . HOH U 10 . ? 24.990 17.804 19.637 1.00 37.93 ? 1079 HOH A O 1 HETATM 2894 O O . HOH U 10 . ? 6.825 -0.140 24.746 1.00 32.11 ? 1080 HOH A O 1 HETATM 2895 O O . HOH U 10 . ? 0.770 7.421 8.173 1.00 36.98 ? 1081 HOH A O 1 HETATM 2896 O O . HOH U 10 . ? 31.057 -3.338 34.777 1.00 36.16 ? 1082 HOH A O 1 HETATM 2897 O O . HOH U 10 . ? 7.052 -3.532 -4.309 1.00 30.88 ? 1083 HOH A O 1 HETATM 2898 O O . HOH U 10 . ? 11.698 18.711 27.561 1.00 40.40 ? 1084 HOH A O 1 HETATM 2899 O O . HOH U 10 . ? 11.964 -12.288 -3.735 1.00 40.38 ? 1085 HOH A O 1 HETATM 2900 O O . HOH U 10 . ? 10.860 -20.046 13.930 1.00 32.00 ? 1086 HOH A O 1 HETATM 2901 O O . HOH U 10 . ? 5.927 -19.901 10.715 1.00 35.68 ? 1087 HOH A O 1 HETATM 2902 O O . HOH U 10 . ? 17.982 6.599 9.482 1.00 34.20 ? 1088 HOH A O 1 HETATM 2903 O O . HOH U 10 . ? 24.312 17.478 29.277 1.00 43.24 ? 1089 HOH A O 1 HETATM 2904 O O . HOH U 10 . ? 28.181 17.375 29.621 1.00 35.98 ? 1090 HOH A O 1 HETATM 2905 O O . HOH U 10 . ? 18.591 11.850 8.429 1.00 40.28 ? 1091 HOH A O 1 HETATM 2906 O O . HOH U 10 . ? 30.052 12.523 37.247 1.00 38.73 ? 1092 HOH A O 1 HETATM 2907 O O . HOH U 10 . ? 0.852 -2.235 35.377 1.00 40.58 ? 1093 HOH A O 1 HETATM 2908 O O . HOH U 10 . ? 17.213 -6.929 30.404 1.00 35.09 ? 1094 HOH A O 1 HETATM 2909 O O . HOH U 10 . ? 37.791 -2.546 25.099 1.00 41.17 ? 1095 HOH A O 1 HETATM 2910 O O . HOH U 10 . ? 25.195 -8.191 -5.487 1.00 41.57 ? 1096 HOH A O 1 HETATM 2911 O O . HOH U 10 . ? 23.896 -13.662 14.493 1.00 42.00 ? 1097 HOH A O 1 HETATM 2912 O O . HOH U 10 . ? 23.014 -2.844 1.505 1.00 39.12 ? 1098 HOH A O 1 HETATM 2913 O O . HOH U 10 . ? -4.247 -8.755 -3.027 1.00 34.14 ? 1099 HOH A O 1 HETATM 2914 O O . HOH U 10 . ? 3.407 4.012 20.783 1.00 40.54 ? 1100 HOH A O 1 HETATM 2915 O O . HOH U 10 . ? -8.529 -3.636 3.884 1.00 44.47 ? 1101 HOH A O 1 HETATM 2916 O O . HOH U 10 . ? 17.796 9.649 26.238 1.00 34.54 ? 1102 HOH A O 1 HETATM 2917 O O . HOH U 10 . ? 13.110 -14.890 -4.263 1.00 38.16 ? 1103 HOH A O 1 HETATM 2918 O O . HOH U 10 . ? 20.831 17.457 23.535 1.00 35.50 ? 1104 HOH A O 1 HETATM 2919 O O . HOH U 10 . ? 21.305 0.013 7.492 1.00 32.43 ? 1105 HOH A O 1 HETATM 2920 O O . HOH U 10 . ? 25.231 -6.020 32.475 1.00 36.49 ? 1106 HOH A O 1 HETATM 2921 O O . HOH U 10 . ? 21.214 1.437 17.539 1.00 31.79 ? 1107 HOH A O 1 HETATM 2922 O O . HOH U 10 . ? 31.976 -6.051 12.460 1.00 42.50 ? 1108 HOH A O 1 HETATM 2923 O O . HOH U 10 . ? 4.358 7.827 -2.353 1.00 40.18 ? 1109 HOH A O 1 HETATM 2924 O O . HOH U 10 . ? -3.533 -14.398 2.173 1.00 32.62 ? 1110 HOH A O 1 HETATM 2925 O O . HOH U 10 . ? 22.087 -13.839 12.305 1.00 37.98 ? 1111 HOH A O 1 HETATM 2926 O O . HOH U 10 . ? 13.274 7.768 4.562 1.00 36.11 ? 1112 HOH A O 1 HETATM 2927 O O . HOH U 10 . ? 12.663 4.043 32.400 1.00 37.51 ? 1113 HOH A O 1 HETATM 2928 O O . HOH U 10 . ? 21.227 -6.926 13.293 1.00 45.21 ? 1114 HOH A O 1 HETATM 2929 O O . HOH U 10 . ? 16.747 -18.348 3.674 1.00 48.75 ? 1115 HOH A O 1 HETATM 2930 O O . HOH U 10 . ? 30.429 -4.865 32.610 1.00 40.91 ? 1116 HOH A O 1 HETATM 2931 O O . HOH U 10 . ? 36.140 16.410 13.694 1.00 46.54 ? 1117 HOH A O 1 HETATM 2932 O O . HOH U 10 . ? 18.396 11.851 5.512 1.00 41.37 ? 1118 HOH A O 1 HETATM 2933 O O . HOH U 10 . ? -1.328 -19.282 19.880 1.00 44.53 ? 1119 HOH A O 1 HETATM 2934 O O . HOH U 10 . ? 22.457 -16.090 15.376 1.00 37.90 ? 1120 HOH A O 1 HETATM 2935 O O . HOH U 10 . ? 38.378 13.112 7.940 1.00 42.51 ? 1121 HOH A O 1 HETATM 2936 O O . HOH U 10 . ? 9.545 3.952 -0.724 1.00 36.55 ? 1122 HOH A O 1 HETATM 2937 O O . HOH U 10 . ? 22.904 -12.968 25.331 1.00 31.30 ? 1123 HOH A O 1 HETATM 2938 O O . HOH U 10 . ? 15.739 7.055 3.611 1.00 37.03 ? 1124 HOH A O 1 HETATM 2939 O O . HOH U 10 . ? 45.514 -0.066 20.656 1.00 44.62 ? 1125 HOH A O 1 HETATM 2940 O O . HOH U 10 . ? 32.628 -1.948 32.443 1.00 41.84 ? 1126 HOH A O 1 HETATM 2941 O O . HOH U 10 . ? 10.948 -21.118 16.463 1.00 46.38 ? 1127 HOH A O 1 HETATM 2942 O O . HOH U 10 . ? 0.129 -19.737 13.654 1.00 45.47 ? 1128 HOH A O 1 HETATM 2943 O O . HOH U 10 . ? 22.349 -2.912 7.011 1.00 45.85 ? 1129 HOH A O 1 HETATM 2944 O O . HOH U 10 . ? 13.180 -3.621 26.630 1.00 42.73 ? 1130 HOH A O 1 HETATM 2945 O O . HOH U 10 . ? 21.296 -9.007 4.466 1.00 36.68 ? 1131 HOH A O 1 HETATM 2946 O O . HOH U 10 . ? 16.648 -19.961 7.690 1.00 47.09 ? 1132 HOH A O 1 HETATM 2947 O O . HOH U 10 . ? 20.959 -17.567 14.142 1.00 44.96 ? 1133 HOH A O 1 HETATM 2948 O O . HOH U 10 . ? 10.478 -18.553 1.707 1.00 44.28 ? 1134 HOH A O 1 HETATM 2949 O O . HOH U 10 . ? 1.493 8.423 13.026 1.00 48.02 ? 1135 HOH A O 1 HETATM 2950 O O . HOH U 10 . ? 5.135 7.277 -6.453 1.00 48.85 ? 1136 HOH A O 1 HETATM 2951 O O . HOH U 10 . ? 32.110 17.068 8.619 1.00 42.20 ? 1137 HOH A O 1 HETATM 2952 O O . HOH U 10 . ? 23.556 17.566 26.308 1.00 45.55 ? 1138 HOH A O 1 HETATM 2953 O O . HOH U 10 . ? 4.342 10.258 12.152 1.00 36.35 ? 1139 HOH A O 1 HETATM 2954 O O . HOH U 10 . ? 31.191 4.189 5.880 1.00 38.04 ? 1140 HOH A O 1 HETATM 2955 O O . HOH U 10 . ? 39.317 10.461 19.810 1.00 46.08 ? 1141 HOH A O 1 HETATM 2956 O O . HOH U 10 . ? 29.211 15.962 4.395 1.00 52.44 ? 1142 HOH A O 1 HETATM 2957 O O . HOH U 10 . ? 29.093 -8.796 32.598 1.00 36.59 ? 1143 HOH A O 1 HETATM 2958 O O . HOH U 10 . ? 47.252 12.899 16.150 1.00 54.11 ? 1144 HOH A O 1 HETATM 2959 O O . HOH U 10 . ? 36.605 -0.556 29.305 1.00 46.41 ? 1145 HOH A O 1 HETATM 2960 O O . HOH U 10 . ? 4.328 -16.183 1.048 1.00 39.57 ? 1146 HOH A O 1 HETATM 2961 O O . HOH U 10 . ? 1.539 9.870 8.258 1.00 35.48 ? 1147 HOH A O 1 HETATM 2962 O O . HOH U 10 . ? 3.344 9.792 10.053 1.00 37.83 ? 1148 HOH A O 1 HETATM 2963 O O . HOH U 10 . ? 18.249 -3.723 32.838 1.00 41.39 ? 1149 HOH A O 1 HETATM 2964 O O . HOH U 10 . ? 11.003 -21.128 6.981 1.00 47.80 ? 1150 HOH A O 1 HETATM 2965 O O . HOH U 10 . ? 23.538 -10.709 12.973 1.00 42.57 ? 1151 HOH A O 1 HETATM 2966 O O . HOH U 10 . ? 20.363 -3.298 19.009 1.00 37.37 ? 1152 HOH A O 1 HETATM 2967 O O . HOH U 10 . ? 23.035 -15.761 8.847 1.00 45.95 ? 1153 HOH A O 1 HETATM 2968 O O . HOH U 10 . ? 26.514 20.161 20.733 1.00 56.13 ? 1154 HOH A O 1 HETATM 2969 O O . HOH U 10 . ? -1.102 -16.164 6.314 1.00 54.29 ? 1155 HOH A O 1 HETATM 2970 O O . HOH U 10 . ? 37.410 -8.027 17.377 1.00 46.72 ? 1156 HOH A O 1 HETATM 2971 O O . HOH U 10 . ? 1.924 -19.571 24.630 1.00 52.40 ? 1157 HOH A O 1 HETATM 2972 O O . HOH U 10 . ? 3.738 23.084 16.809 1.00 46.30 ? 1158 HOH A O 1 HETATM 2973 O O . HOH U 10 . ? 15.140 -5.432 30.278 1.00 43.32 ? 1159 HOH A O 1 HETATM 2974 O O . HOH U 10 . ? -6.497 1.720 10.341 1.00 46.43 ? 1160 HOH A O 1 HETATM 2975 O O . HOH U 10 . ? 30.134 1.500 39.771 1.00 40.62 ? 1161 HOH A O 1 HETATM 2976 O O . HOH U 10 . ? 36.189 16.843 18.305 1.00 38.21 ? 1162 HOH A O 1 HETATM 2977 O O . HOH U 10 . ? 15.475 23.353 22.271 1.00 32.25 ? 1163 HOH A O 1 HETATM 2978 O O . HOH U 10 . ? 19.438 -1.825 -6.150 1.00 40.29 ? 1164 HOH A O 1 HETATM 2979 O O . HOH U 10 . ? -4.955 -5.137 -3.013 1.00 43.47 ? 1165 HOH A O 1 HETATM 2980 O O . HOH U 10 . ? 19.893 -3.398 6.588 1.00 48.47 ? 1166 HOH A O 1 HETATM 2981 O O . HOH U 10 . ? 3.172 -16.371 5.197 1.00 44.61 ? 1167 HOH A O 1 HETATM 2982 O O . HOH U 10 . ? -5.347 -5.449 21.239 1.00 44.18 ? 1168 HOH A O 1 HETATM 2983 O O . HOH U 10 . ? 8.303 14.593 11.340 1.00 53.58 ? 1169 HOH A O 1 HETATM 2984 O O . HOH U 10 . ? 25.501 -19.399 23.593 1.00 44.30 ? 1170 HOH A O 1 HETATM 2985 O O . HOH U 10 . ? 25.386 -21.236 20.796 1.00 44.87 ? 1171 HOH A O 1 HETATM 2986 O O . HOH U 10 . ? -0.557 -21.947 11.704 1.00 55.24 ? 1172 HOH A O 1 HETATM 2987 O O . HOH U 10 . ? 17.971 -10.162 -5.398 1.00 55.00 ? 1173 HOH A O 1 HETATM 2988 O O . HOH U 10 . ? 31.049 19.188 23.352 1.00 42.54 ? 1174 HOH A O 1 HETATM 2989 O O . HOH U 10 . ? -2.396 5.772 4.088 1.00 46.36 ? 1175 HOH A O 1 HETATM 2990 O O . HOH U 10 . ? 35.851 17.853 15.598 1.00 50.61 ? 1176 HOH A O 1 HETATM 2991 O O . HOH U 10 . ? 12.253 15.777 28.777 1.00 45.87 ? 1177 HOH A O 1 HETATM 2992 O O . HOH U 10 . ? 24.169 -15.198 11.106 1.00 57.53 ? 1178 HOH A O 1 HETATM 2993 O O . HOH U 10 . ? 33.154 14.941 12.612 1.00 50.22 ? 1179 HOH A O 1 HETATM 2994 O O . HOH U 10 . ? 10.718 12.831 32.083 1.00 47.19 ? 1180 HOH A O 1 HETATM 2995 O O . HOH U 10 . ? 21.832 -10.528 7.115 1.00 40.42 ? 1181 HOH A O 1 HETATM 2996 O O . HOH U 10 . ? 32.728 4.565 32.505 1.00 42.76 ? 1182 HOH A O 1 HETATM 2997 O O . HOH U 10 . ? -5.625 4.179 14.940 1.00 49.45 ? 1183 HOH A O 1 HETATM 2998 O O . HOH U 10 . ? -6.452 -4.840 12.334 1.00 43.58 ? 1184 HOH A O 1 HETATM 2999 O O . HOH U 10 . ? 28.058 -3.399 6.497 1.00 56.99 ? 1185 HOH A O 1 HETATM 3000 O O . HOH U 10 . ? 31.732 16.044 29.946 1.00 45.36 ? 1186 HOH A O 1 HETATM 3001 O O . HOH U 10 . ? 32.899 3.346 37.223 1.00 52.59 ? 1187 HOH A O 1 HETATM 3002 O O . HOH U 10 . ? 34.627 1.559 33.158 1.00 48.71 ? 1188 HOH A O 1 HETATM 3003 O O . HOH U 10 . ? 32.554 -11.503 21.477 1.00 36.62 ? 1189 HOH A O 1 HETATM 3004 O O . HOH U 10 . ? 4.396 -16.610 29.400 1.00 44.56 ? 1190 HOH A O 1 HETATM 3005 O O . HOH U 10 . ? 13.373 -20.926 7.932 1.00 51.68 ? 1191 HOH A O 1 HETATM 3006 O O . HOH U 10 . ? -7.527 -7.297 12.223 1.00 46.30 ? 1192 HOH A O 1 HETATM 3007 O O . HOH U 10 . ? 21.583 -0.706 0.125 1.00 48.24 ? 1193 HOH A O 1 HETATM 3008 O O . HOH U 10 . ? 18.822 7.657 37.291 1.00 43.10 ? 1194 HOH A O 1 HETATM 3009 O O . HOH U 10 . ? 7.306 -2.993 27.231 1.00 42.74 ? 1195 HOH A O 1 HETATM 3010 O O . HOH U 10 . ? 22.461 21.798 20.207 1.00 54.15 ? 1196 HOH A O 1 HETATM 3011 O O . HOH U 10 . ? 24.065 13.482 35.090 1.00 45.01 ? 1197 HOH A O 1 HETATM 3012 O O . HOH U 10 . ? -5.433 -16.512 10.762 1.00 57.85 ? 1198 HOH A O 1 HETATM 3013 O O . HOH U 10 . ? 2.816 -1.718 27.461 1.00 43.60 ? 1199 HOH A O 1 HETATM 3014 O O . HOH U 10 . ? -0.732 -2.824 -4.732 1.00 49.26 ? 1200 HOH A O 1 HETATM 3015 O O . HOH U 10 . ? 10.685 -0.986 29.006 1.00 43.06 ? 1201 HOH A O 1 HETATM 3016 O O . HOH U 10 . ? 0.487 -12.188 -6.475 1.00 51.83 ? 1202 HOH A O 1 HETATM 3017 O O . HOH U 10 . ? 12.630 -1.069 30.536 1.00 36.78 ? 1203 HOH A O 1 HETATM 3018 O O . HOH U 10 . ? 2.109 -13.384 24.517 1.00 44.06 ? 1204 HOH A O 1 HETATM 3019 O O . HOH U 10 . ? -4.914 5.573 16.967 1.00 55.15 ? 1205 HOH A O 1 HETATM 3020 O O . HOH U 10 . ? -8.514 0.464 7.297 1.00 52.42 ? 1206 HOH A O 1 HETATM 3021 O O . HOH U 10 . ? 30.128 -4.113 5.436 1.00 49.65 ? 1207 HOH A O 1 HETATM 3022 O O . HOH U 10 . ? 12.599 -17.258 0.989 1.00 48.31 ? 1208 HOH A O 1 HETATM 3023 O O . HOH U 10 . ? 43.920 3.513 13.113 1.00 59.15 ? 1209 HOH A O 1 HETATM 3024 O O . HOH U 10 . ? 24.792 -17.749 15.664 1.00 49.80 ? 1210 HOH A O 1 HETATM 3025 O O . HOH U 10 . ? 35.673 -1.761 8.887 1.00 47.73 ? 1211 HOH A O 1 HETATM 3026 O O . HOH U 10 . ? -7.295 -3.894 28.026 1.00 47.09 ? 1212 HOH A O 1 HETATM 3027 O O . HOH U 10 . ? 7.108 -20.513 1.800 1.00 44.25 ? 1213 HOH A O 1 HETATM 3028 O O . HOH U 10 . ? 9.265 8.744 -2.682 1.00 53.36 ? 1214 HOH A O 1 HETATM 3029 O O . HOH U 10 . ? -5.602 -12.478 4.791 1.00 46.02 ? 1215 HOH A O 1 HETATM 3030 O O . HOH U 10 . ? 18.456 17.150 28.308 1.00 41.84 ? 1216 HOH A O 1 HETATM 3031 O O . HOH U 10 . ? 20.672 17.400 27.170 1.00 47.50 ? 1217 HOH A O 1 HETATM 3032 O O . HOH U 10 . ? 22.543 6.899 3.834 1.00 53.41 ? 1218 HOH A O 1 HETATM 3033 O O . HOH U 10 . ? 13.684 -5.789 26.184 1.00 49.63 ? 1219 HOH A O 1 HETATM 3034 O O . HOH U 10 . ? 22.767 18.725 22.986 1.00 48.10 ? 1220 HOH A O 1 HETATM 3035 O O . HOH U 10 . ? 20.131 -1.071 17.152 1.00 43.93 ? 1221 HOH A O 1 HETATM 3036 O O . HOH U 10 . ? 15.437 -6.941 28.047 1.00 39.16 ? 1222 HOH A O 1 HETATM 3037 O O . HOH U 10 . ? 10.254 -14.254 -1.630 1.00 48.65 ? 1223 HOH A O 1 HETATM 3038 O O . HOH U 10 . ? -0.844 -10.389 -5.941 1.00 47.52 ? 1224 HOH A O 1 HETATM 3039 O O . HOH U 10 . ? 33.816 13.986 10.228 1.00 47.88 ? 1225 HOH A O 1 HETATM 3040 O O . HOH U 10 . ? 9.637 0.155 1.716 1.00 39.73 ? 1226 HOH A O 1 HETATM 3041 O O . HOH U 10 . ? 19.994 -9.314 13.222 1.00 35.73 ? 1227 HOH A O 1 HETATM 3042 O O . HOH U 10 . ? 32.375 19.171 20.536 1.00 50.75 ? 1228 HOH A O 1 HETATM 3043 O O . HOH U 10 . ? 7.861 -21.361 12.525 1.00 52.04 ? 1229 HOH A O 1 HETATM 3044 O O . HOH U 10 . ? 11.110 4.923 -2.496 1.00 48.57 ? 1230 HOH A O 1 HETATM 3045 O O . HOH U 10 . ? 5.020 -20.514 2.891 1.00 47.83 ? 1231 HOH A O 1 HETATM 3046 O O . HOH U 10 . ? 27.234 -9.662 28.352 1.00 51.39 ? 1232 HOH A O 1 HETATM 3047 O O . HOH U 10 . ? 36.712 1.079 31.564 1.00 52.33 ? 1233 HOH A O 1 HETATM 3048 O O . HOH U 10 . ? -7.219 -6.420 -0.778 1.00 55.16 ? 1234 HOH A O 1 HETATM 3049 O O . HOH U 10 . ? 12.071 -20.304 3.615 1.00 52.69 ? 1235 HOH A O 1 HETATM 3050 O O . HOH U 10 . ? 23.191 -1.760 4.282 1.00 58.41 ? 1236 HOH A O 1 HETATM 3051 O O . HOH U 10 . ? 14.256 -15.869 -2.307 1.00 50.57 ? 1237 HOH A O 1 HETATM 3052 O O . HOH U 10 . ? 8.163 -2.688 -6.683 1.00 52.86 ? 1238 HOH A O 1 HETATM 3053 O O . HOH U 10 . ? 6.609 0.449 -8.054 1.00 50.02 ? 1239 HOH A O 1 HETATM 3054 O O . HOH U 10 . ? 32.248 19.829 13.490 1.00 57.60 ? 1240 HOH A O 1 HETATM 3055 O O . HOH U 10 . ? 26.253 -10.299 6.983 1.00 50.24 ? 1241 HOH A O 1 HETATM 3056 O O . HOH U 10 . ? 8.159 -20.754 6.972 1.00 52.10 ? 1242 HOH A O 1 HETATM 3057 O O . HOH U 10 . ? -9.628 -9.193 11.859 1.00 55.39 ? 1243 HOH A O 1 HETATM 3058 O O . HOH U 10 . ? 18.213 -15.503 -9.441 1.00 59.72 ? 1244 HOH A O 1 HETATM 3059 O O . HOH U 10 . ? 18.820 -19.967 14.123 1.00 50.27 ? 1245 HOH A O 1 HETATM 3060 O O . HOH U 10 . ? -4.480 6.144 13.199 1.00 59.94 ? 1246 HOH A O 1 HETATM 3061 O O . HOH U 10 . ? 14.258 12.960 32.891 1.00 52.37 ? 1247 HOH A O 1 HETATM 3062 O O . HOH U 10 . ? 28.163 23.030 6.171 1.00 55.70 ? 1248 HOH A O 1 HETATM 3063 O O . HOH U 10 . ? 14.056 15.303 32.642 1.00 47.50 ? 1249 HOH A O 1 HETATM 3064 O O . HOH U 10 . ? 13.548 -1.337 -7.552 1.00 46.26 ? 1250 HOH A O 1 HETATM 3065 O O . HOH U 10 . ? 26.998 -2.063 4.600 1.00 52.15 ? 1251 HOH A O 1 HETATM 3066 O O . HOH U 10 . ? 30.649 19.618 30.519 1.00 45.86 ? 1252 HOH A O 1 HETATM 3067 O O . HOH U 10 . ? 20.653 17.231 13.468 1.00 46.00 ? 1253 HOH A O 1 HETATM 3068 O O . HOH U 10 . ? 14.304 21.371 20.171 1.00 44.45 ? 1254 HOH A O 1 HETATM 3069 O O . HOH U 10 . ? 40.151 11.162 22.259 1.00 43.66 ? 1255 HOH A O 1 HETATM 3070 O O . HOH U 10 . ? 34.455 -1.742 30.265 1.00 46.37 ? 1256 HOH A O 1 HETATM 3071 O O . HOH U 10 . ? 13.495 -7.471 29.621 1.00 51.05 ? 1257 HOH A O 1 HETATM 3072 O O . HOH U 10 . ? 10.904 -2.284 -7.571 1.00 46.83 ? 1258 HOH A O 1 HETATM 3073 O O . HOH U 10 . ? 1.269 7.955 10.269 1.00 49.12 ? 1259 HOH A O 1 HETATM 3074 O O . HOH U 10 . ? 17.287 -3.817 -9.067 1.00 51.36 ? 1260 HOH A O 1 HETATM 3075 O O . HOH U 10 . ? 19.768 -19.214 4.270 1.00 52.29 ? 1261 HOH A O 1 HETATM 3076 O O . HOH U 10 . ? 28.768 -14.202 15.150 1.00 54.72 ? 1262 HOH A O 1 HETATM 3077 O O . HOH U 10 . ? 20.263 -9.985 10.732 1.00 48.73 ? 1263 HOH A O 1 HETATM 3078 O O . HOH U 10 . ? 13.816 -16.840 -6.863 1.00 57.33 ? 1264 HOH A O 1 HETATM 3079 O O . HOH U 10 . ? 12.000 -22.471 9.798 1.00 51.45 ? 1265 HOH A O 1 HETATM 3080 O O . HOH U 10 . ? 8.325 11.734 29.101 1.00 58.85 ? 1266 HOH A O 1 HETATM 3081 O O . HOH U 10 . ? 4.039 -18.156 6.918 1.00 50.70 ? 1267 HOH A O 1 HETATM 3082 O O . HOH U 10 . ? 40.301 -4.534 21.741 1.00 56.21 ? 1268 HOH A O 1 HETATM 3083 O O . HOH U 10 . ? 32.238 17.644 32.121 1.00 52.90 ? 1269 HOH A O 1 HETATM 3084 O O . HOH U 10 . ? 6.378 -21.910 4.064 1.00 49.35 ? 1270 HOH A O 1 HETATM 3085 O O . HOH U 10 . ? -2.085 7.395 11.750 1.00 47.19 ? 1271 HOH A O 1 HETATM 3086 O O . HOH U 10 . ? 10.283 3.825 31.672 1.00 55.11 ? 1272 HOH A O 1 HETATM 3087 O O . HOH U 10 . ? 13.950 19.514 18.718 1.00 43.85 ? 1273 HOH A O 1 HETATM 3088 O O . HOH U 10 . ? 34.611 1.791 35.912 1.00 48.05 ? 1274 HOH A O 1 HETATM 3089 O O . HOH U 10 . ? 31.612 -7.930 30.285 1.00 51.13 ? 1275 HOH A O 1 HETATM 3090 O O . HOH U 10 . ? -9.119 -0.725 1.453 1.00 58.41 ? 1276 HOH A O 1 HETATM 3091 O O . HOH U 10 . ? -4.849 -16.994 17.723 1.00 50.64 ? 1277 HOH A O 1 HETATM 3092 O O . HOH U 10 . ? 6.424 17.258 12.240 1.00 50.64 ? 1278 HOH A O 1 HETATM 3093 O O . HOH U 10 . ? 24.328 17.053 24.279 1.00 51.29 ? 1279 HOH A O 1 HETATM 3094 O O . HOH U 10 . ? 47.000 5.937 21.742 1.00 59.21 ? 1280 HOH A O 1 HETATM 3095 O O . HOH U 10 . ? 26.435 -5.994 -3.526 1.00 55.04 ? 1281 HOH A O 1 HETATM 3096 O O . HOH U 10 . ? 15.124 -16.534 1.807 1.00 51.39 ? 1282 HOH A O 1 HETATM 3097 O O . HOH U 10 . ? 4.272 12.050 8.320 1.00 38.98 ? 1283 HOH A O 1 HETATM 3098 O O . HOH U 10 . ? 5.098 12.771 10.264 1.00 53.96 ? 1284 HOH A O 1 HETATM 3099 O O . HOH U 10 . ? 17.215 24.829 16.276 1.00 45.96 ? 1285 HOH A O 1 HETATM 3100 O O . HOH U 10 . ? 34.928 -7.385 33.094 1.00 40.70 ? 1286 HOH A O 1 HETATM 3101 O O . HOH U 10 . ? 8.123 -7.545 27.384 1.00 45.93 ? 1287 HOH A O 1 HETATM 3102 O O . HOH U 10 . ? 38.271 -2.352 29.695 1.00 58.95 ? 1288 HOH A O 1 HETATM 3103 O O . HOH U 10 . ? 33.002 19.131 29.959 1.00 55.84 ? 1289 HOH A O 1 HETATM 3104 O O . HOH U 10 . ? 33.805 20.719 28.025 1.00 45.70 ? 1290 HOH A O 1 HETATM 3105 O O . HOH U 10 . ? 12.027 21.756 20.307 1.00 47.42 ? 1291 HOH A O 1 HETATM 3106 O O . HOH U 10 . ? 35.573 -4.652 33.933 1.00 56.86 ? 1292 HOH A O 1 HETATM 3107 O O . HOH U 10 . ? 10.429 -5.177 28.352 1.00 44.64 ? 1293 HOH A O 1 HETATM 3108 O O . HOH U 10 . ? 15.903 25.363 18.989 1.00 56.17 ? 1294 HOH A O 1 HETATM 3109 O O . HOH U 10 . ? 10.255 23.051 23.938 1.00 53.39 ? 1295 HOH A O 1 HETATM 3110 O O . HOH U 10 . ? 44.856 7.014 13.087 1.00 48.08 ? 1296 HOH A O 1 HETATM 3111 O O . HOH U 10 . ? 29.912 -7.585 10.421 1.00 45.80 ? 1297 HOH A O 1 HETATM 3112 O O . HOH U 10 . ? 26.192 24.491 3.029 1.00 51.56 ? 1298 HOH A O 1 HETATM 3113 O O . HOH U 10 . ? 33.260 17.324 12.826 1.00 45.07 ? 1299 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 3 BMA 3 3 3 BMA MAN A . E 4 MAN 4 4 4 MAN MAN A . F 3 BMA 5 5 5 BMA MAN A . G 2 NAG 1 687 1 NAG NAG A . H 2 NAG 2 688 2 NAG NAG A . I 2 NAG 1 689 1 NAG NAG A . J 2 NAG 2 690 2 NAG NAG A . K 3 BMA 3 691 3 BMA MAN A . L 3 BMA 4 692 4 BMA MAN A . M 4 MAN 5 693 5 MAN MAN A . N 3 BMA 6 694 6 BMA MAN A . O 5 LAK 1 1001 1 LAK MLB A . P 6 FE 1 1002 1 FE FE A . Q 7 CO3 1 1003 2 CO3 CO3 A . R 8 ZN 1 1004 3 ZN ZN A . S 8 ZN 1 1005 4 ZN ZN A . T 9 SO4 1 1006 5 SO4 SO4 A . U 10 HOH 1 1007 1 HOH HOH A . U 10 HOH 2 1008 2 HOH HOH A . U 10 HOH 3 1009 3 HOH HOH A . U 10 HOH 4 1010 4 HOH HOH A . U 10 HOH 5 1011 5 HOH HOH A . U 10 HOH 6 1012 6 HOH HOH A . U 10 HOH 7 1013 7 HOH HOH A . U 10 HOH 8 1014 8 HOH HOH A . U 10 HOH 9 1015 9 HOH HOH A . U 10 HOH 10 1016 10 HOH HOH A . U 10 HOH 11 1017 11 HOH HOH A . U 10 HOH 12 1018 12 HOH HOH A . U 10 HOH 13 1019 13 HOH HOH A . U 10 HOH 14 1020 14 HOH HOH A . U 10 HOH 15 1021 15 HOH HOH A . U 10 HOH 16 1022 16 HOH HOH A . U 10 HOH 17 1023 17 HOH HOH A . U 10 HOH 18 1024 18 HOH HOH A . U 10 HOH 19 1025 19 HOH HOH A . U 10 HOH 20 1026 20 HOH HOH A . U 10 HOH 21 1027 21 HOH HOH A . U 10 HOH 22 1028 22 HOH HOH A . U 10 HOH 23 1029 23 HOH HOH A . U 10 HOH 24 1030 24 HOH HOH A . U 10 HOH 25 1031 25 HOH HOH A . U 10 HOH 26 1032 26 HOH HOH A . U 10 HOH 27 1033 27 HOH HOH A . U 10 HOH 28 1034 28 HOH HOH A . U 10 HOH 29 1035 29 HOH HOH A . U 10 HOH 30 1036 30 HOH HOH A . U 10 HOH 31 1037 31 HOH HOH A . U 10 HOH 32 1038 32 HOH HOH A . U 10 HOH 33 1039 33 HOH HOH A . U 10 HOH 34 1040 34 HOH HOH A . U 10 HOH 35 1041 35 HOH HOH A . U 10 HOH 36 1042 36 HOH HOH A . U 10 HOH 37 1043 37 HOH HOH A . U 10 HOH 38 1044 38 HOH HOH A . U 10 HOH 39 1045 39 HOH HOH A . U 10 HOH 40 1046 40 HOH HOH A . U 10 HOH 41 1047 41 HOH HOH A . U 10 HOH 42 1048 42 HOH HOH A . U 10 HOH 43 1049 43 HOH HOH A . U 10 HOH 44 1050 44 HOH HOH A . U 10 HOH 45 1051 45 HOH HOH A . U 10 HOH 46 1052 46 HOH HOH A . U 10 HOH 47 1053 47 HOH HOH A . U 10 HOH 48 1054 48 HOH HOH A . U 10 HOH 49 1055 49 HOH HOH A . U 10 HOH 50 1056 50 HOH HOH A . U 10 HOH 51 1057 51 HOH HOH A . U 10 HOH 52 1058 52 HOH HOH A . U 10 HOH 53 1059 53 HOH HOH A . U 10 HOH 54 1060 54 HOH HOH A . U 10 HOH 55 1061 55 HOH HOH A . U 10 HOH 56 1062 56 HOH HOH A . U 10 HOH 57 1063 57 HOH HOH A . U 10 HOH 58 1064 58 HOH HOH A . U 10 HOH 59 1065 59 HOH HOH A . U 10 HOH 60 1066 60 HOH HOH A . U 10 HOH 61 1067 61 HOH HOH A . U 10 HOH 62 1068 62 HOH HOH A . U 10 HOH 63 1069 63 HOH HOH A . U 10 HOH 64 1070 64 HOH HOH A . U 10 HOH 65 1071 65 HOH HOH A . U 10 HOH 66 1072 66 HOH HOH A . U 10 HOH 67 1073 67 HOH HOH A . U 10 HOH 68 1074 68 HOH HOH A . U 10 HOH 69 1075 69 HOH HOH A . U 10 HOH 70 1076 70 HOH HOH A . U 10 HOH 71 1077 71 HOH HOH A . U 10 HOH 72 1078 72 HOH HOH A . U 10 HOH 73 1079 73 HOH HOH A . U 10 HOH 74 1080 74 HOH HOH A . U 10 HOH 75 1081 75 HOH HOH A . U 10 HOH 76 1082 76 HOH HOH A . U 10 HOH 77 1083 77 HOH HOH A . U 10 HOH 78 1084 78 HOH HOH A . U 10 HOH 79 1085 79 HOH HOH A . U 10 HOH 80 1086 80 HOH HOH A . U 10 HOH 81 1087 81 HOH HOH A . U 10 HOH 82 1088 82 HOH HOH A . U 10 HOH 83 1089 83 HOH HOH A . U 10 HOH 84 1090 84 HOH HOH A . U 10 HOH 85 1091 85 HOH HOH A . U 10 HOH 86 1092 86 HOH HOH A . U 10 HOH 87 1093 87 HOH HOH A . U 10 HOH 88 1094 88 HOH HOH A . U 10 HOH 89 1095 89 HOH HOH A . U 10 HOH 90 1096 90 HOH HOH A . U 10 HOH 91 1097 91 HOH HOH A . U 10 HOH 92 1098 92 HOH HOH A . U 10 HOH 93 1099 93 HOH HOH A . U 10 HOH 94 1100 94 HOH HOH A . U 10 HOH 95 1101 95 HOH HOH A . U 10 HOH 96 1102 96 HOH HOH A . U 10 HOH 97 1103 97 HOH HOH A . U 10 HOH 98 1104 98 HOH HOH A . U 10 HOH 99 1105 99 HOH HOH A . U 10 HOH 100 1106 100 HOH HOH A . U 10 HOH 101 1107 101 HOH HOH A . U 10 HOH 102 1108 102 HOH HOH A . U 10 HOH 103 1109 103 HOH HOH A . U 10 HOH 104 1110 104 HOH HOH A . U 10 HOH 105 1111 105 HOH HOH A . U 10 HOH 106 1112 106 HOH HOH A . U 10 HOH 107 1113 107 HOH HOH A . U 10 HOH 108 1114 108 HOH HOH A . U 10 HOH 109 1115 109 HOH HOH A . U 10 HOH 110 1116 110 HOH HOH A . U 10 HOH 111 1117 111 HOH HOH A . U 10 HOH 112 1118 112 HOH HOH A . U 10 HOH 113 1119 113 HOH HOH A . U 10 HOH 114 1120 114 HOH HOH A . U 10 HOH 115 1121 115 HOH HOH A . U 10 HOH 116 1122 116 HOH HOH A . U 10 HOH 117 1123 117 HOH HOH A . U 10 HOH 118 1124 118 HOH HOH A . U 10 HOH 119 1125 119 HOH HOH A . U 10 HOH 120 1126 120 HOH HOH A . U 10 HOH 121 1127 121 HOH HOH A . U 10 HOH 122 1128 122 HOH HOH A . U 10 HOH 123 1129 123 HOH HOH A . U 10 HOH 124 1130 124 HOH HOH A . U 10 HOH 125 1131 125 HOH HOH A . U 10 HOH 126 1132 126 HOH HOH A . U 10 HOH 127 1133 127 HOH HOH A . U 10 HOH 128 1134 128 HOH HOH A . U 10 HOH 129 1135 129 HOH HOH A . U 10 HOH 130 1136 130 HOH HOH A . U 10 HOH 131 1137 131 HOH HOH A . U 10 HOH 132 1138 132 HOH HOH A . U 10 HOH 133 1139 133 HOH HOH A . U 10 HOH 134 1140 134 HOH HOH A . U 10 HOH 135 1141 135 HOH HOH A . U 10 HOH 136 1142 136 HOH HOH A . U 10 HOH 137 1143 137 HOH HOH A . U 10 HOH 138 1144 138 HOH HOH A . U 10 HOH 139 1145 139 HOH HOH A . U 10 HOH 140 1146 140 HOH HOH A . U 10 HOH 141 1147 141 HOH HOH A . U 10 HOH 142 1148 142 HOH HOH A . U 10 HOH 143 1149 143 HOH HOH A . U 10 HOH 144 1150 144 HOH HOH A . U 10 HOH 145 1151 145 HOH HOH A . U 10 HOH 146 1152 146 HOH HOH A . U 10 HOH 147 1153 147 HOH HOH A . U 10 HOH 148 1154 148 HOH HOH A . U 10 HOH 149 1155 149 HOH HOH A . U 10 HOH 150 1156 150 HOH HOH A . U 10 HOH 151 1157 151 HOH HOH A . U 10 HOH 152 1158 152 HOH HOH A . U 10 HOH 153 1159 153 HOH HOH A . U 10 HOH 154 1160 154 HOH HOH A . U 10 HOH 155 1161 155 HOH HOH A . U 10 HOH 156 1162 156 HOH HOH A . U 10 HOH 157 1163 157 HOH HOH A . U 10 HOH 158 1164 158 HOH HOH A . U 10 HOH 159 1165 159 HOH HOH A . U 10 HOH 160 1166 160 HOH HOH A . U 10 HOH 161 1167 161 HOH HOH A . U 10 HOH 162 1168 162 HOH HOH A . U 10 HOH 163 1169 163 HOH HOH A . U 10 HOH 164 1170 164 HOH HOH A . U 10 HOH 165 1171 165 HOH HOH A . U 10 HOH 166 1172 166 HOH HOH A . U 10 HOH 167 1173 167 HOH HOH A . U 10 HOH 168 1174 168 HOH HOH A . U 10 HOH 169 1175 169 HOH HOH A . U 10 HOH 170 1176 170 HOH HOH A . U 10 HOH 171 1177 171 HOH HOH A . U 10 HOH 172 1178 172 HOH HOH A . U 10 HOH 173 1179 173 HOH HOH A . U 10 HOH 174 1180 174 HOH HOH A . U 10 HOH 175 1181 175 HOH HOH A . U 10 HOH 176 1182 176 HOH HOH A . U 10 HOH 177 1183 177 HOH HOH A . U 10 HOH 178 1184 178 HOH HOH A . U 10 HOH 179 1185 179 HOH HOH A . U 10 HOH 180 1186 180 HOH HOH A . U 10 HOH 181 1187 181 HOH HOH A . U 10 HOH 182 1188 182 HOH HOH A . U 10 HOH 183 1189 183 HOH HOH A . U 10 HOH 184 1190 184 HOH HOH A . U 10 HOH 185 1191 185 HOH HOH A . U 10 HOH 186 1192 186 HOH HOH A . U 10 HOH 187 1193 187 HOH HOH A . U 10 HOH 188 1194 188 HOH HOH A . U 10 HOH 189 1195 189 HOH HOH A . U 10 HOH 190 1196 190 HOH HOH A . U 10 HOH 191 1197 191 HOH HOH A . U 10 HOH 192 1198 192 HOH HOH A . U 10 HOH 193 1199 193 HOH HOH A . U 10 HOH 194 1200 194 HOH HOH A . U 10 HOH 195 1201 195 HOH HOH A . U 10 HOH 196 1202 196 HOH HOH A . U 10 HOH 197 1203 197 HOH HOH A . U 10 HOH 198 1204 198 HOH HOH A . U 10 HOH 199 1205 199 HOH HOH A . U 10 HOH 200 1206 200 HOH HOH A . U 10 HOH 201 1207 201 HOH HOH A . U 10 HOH 202 1208 202 HOH HOH A . U 10 HOH 203 1209 203 HOH HOH A . U 10 HOH 204 1210 204 HOH HOH A . U 10 HOH 205 1211 205 HOH HOH A . U 10 HOH 206 1212 206 HOH HOH A . U 10 HOH 207 1213 207 HOH HOH A . U 10 HOH 208 1214 208 HOH HOH A . U 10 HOH 209 1215 209 HOH HOH A . U 10 HOH 210 1216 210 HOH HOH A . U 10 HOH 211 1217 211 HOH HOH A . U 10 HOH 212 1218 212 HOH HOH A . U 10 HOH 213 1219 213 HOH HOH A . U 10 HOH 214 1220 214 HOH HOH A . U 10 HOH 215 1221 215 HOH HOH A . U 10 HOH 216 1222 216 HOH HOH A . U 10 HOH 217 1223 217 HOH HOH A . U 10 HOH 218 1224 218 HOH HOH A . U 10 HOH 219 1225 219 HOH HOH A . U 10 HOH 220 1226 220 HOH HOH A . U 10 HOH 221 1227 221 HOH HOH A . U 10 HOH 222 1228 222 HOH HOH A . U 10 HOH 223 1229 223 HOH HOH A . U 10 HOH 224 1230 224 HOH HOH A . U 10 HOH 225 1231 225 HOH HOH A . U 10 HOH 226 1232 226 HOH HOH A . U 10 HOH 227 1233 227 HOH HOH A . U 10 HOH 228 1234 228 HOH HOH A . U 10 HOH 229 1235 229 HOH HOH A . U 10 HOH 230 1236 230 HOH HOH A . U 10 HOH 231 1237 231 HOH HOH A . U 10 HOH 232 1238 232 HOH HOH A . U 10 HOH 233 1239 233 HOH HOH A . U 10 HOH 234 1240 234 HOH HOH A . U 10 HOH 235 1241 235 HOH HOH A . U 10 HOH 236 1242 236 HOH HOH A . U 10 HOH 237 1243 237 HOH HOH A . U 10 HOH 238 1244 238 HOH HOH A . U 10 HOH 239 1245 239 HOH HOH A . U 10 HOH 240 1246 240 HOH HOH A . U 10 HOH 241 1247 241 HOH HOH A . U 10 HOH 242 1248 242 HOH HOH A . U 10 HOH 243 1249 243 HOH HOH A . U 10 HOH 244 1250 244 HOH HOH A . U 10 HOH 245 1251 245 HOH HOH A . U 10 HOH 246 1252 246 HOH HOH A . U 10 HOH 247 1253 247 HOH HOH A . U 10 HOH 248 1254 248 HOH HOH A . U 10 HOH 249 1255 249 HOH HOH A . U 10 HOH 250 1256 250 HOH HOH A . U 10 HOH 251 1257 251 HOH HOH A . U 10 HOH 252 1258 252 HOH HOH A . U 10 HOH 253 1259 253 HOH HOH A . U 10 HOH 254 1260 254 HOH HOH A . U 10 HOH 255 1261 255 HOH HOH A . U 10 HOH 256 1262 256 HOH HOH A . U 10 HOH 257 1263 257 HOH HOH A . U 10 HOH 258 1264 258 HOH HOH A . U 10 HOH 259 1265 259 HOH HOH A . U 10 HOH 260 1266 260 HOH HOH A . U 10 HOH 261 1267 261 HOH HOH A . U 10 HOH 262 1268 262 HOH HOH A . U 10 HOH 263 1269 263 HOH HOH A . U 10 HOH 264 1270 264 HOH HOH A . U 10 HOH 265 1271 265 HOH HOH A . U 10 HOH 266 1272 266 HOH HOH A . U 10 HOH 267 1273 267 HOH HOH A . U 10 HOH 268 1274 268 HOH HOH A . U 10 HOH 269 1275 269 HOH HOH A . U 10 HOH 270 1276 270 HOH HOH A . U 10 HOH 271 1277 271 HOH HOH A . U 10 HOH 272 1278 272 HOH HOH A . U 10 HOH 273 1279 273 HOH HOH A . U 10 HOH 274 1280 274 HOH HOH A . U 10 HOH 275 1281 275 HOH HOH A . U 10 HOH 276 1282 276 HOH HOH A . U 10 HOH 277 1283 277 HOH HOH A . U 10 HOH 278 1284 278 HOH HOH A . U 10 HOH 279 1285 279 HOH HOH A . U 10 HOH 280 1286 280 HOH HOH A . U 10 HOH 281 1287 281 HOH HOH A . U 10 HOH 282 1288 282 HOH HOH A . U 10 HOH 283 1289 283 HOH HOH A . U 10 HOH 284 1290 284 HOH HOH A . U 10 HOH 285 1291 285 HOH HOH A . U 10 HOH 286 1292 286 HOH HOH A . U 10 HOH 287 1293 287 HOH HOH A . U 10 HOH 288 1294 288 HOH HOH A . U 10 HOH 289 1295 289 HOH HOH A . U 10 HOH 290 1296 291 HOH HOH A . U 10 HOH 291 1297 292 HOH HOH A . U 10 HOH 292 1298 293 HOH HOH A . U 10 HOH 293 1299 294 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 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U # _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_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 88.6 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 170.2 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 98.4 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 86.7 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.2 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 85.4 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O1 ? Q CO3 . ? A CO3 1003 ? 1_555 85.0 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O1 ? Q CO3 . ? A CO3 1003 ? 1_555 156.7 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O1 ? Q CO3 . ? A CO3 1003 ? 1_555 91.1 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O1 ? Q CO3 . ? A CO3 1003 ? 1_555 101.7 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O2 ? Q CO3 . ? A CO3 1003 ? 1_555 86.0 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O2 ? Q CO3 . ? A CO3 1003 ? 1_555 93.5 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O2 ? Q CO3 . ? A CO3 1003 ? 1_555 100.3 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O2 ? Q CO3 . ? A CO3 1003 ? 1_555 164.3 ? 15 O1 ? Q CO3 . ? A CO3 1003 ? 1_555 FE ? P FE . ? A FE 1002 ? 1_555 O2 ? Q CO3 . ? A CO3 1003 ? 1_555 63.8 ? 16 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 1004 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 58.5 ? 17 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 1004 ? 1_555 O ? U HOH . ? A HOH 1163 ? 1_555 101.3 ? 18 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 1004 ? 1_555 O ? U HOH . ? A HOH 1163 ? 1_555 98.4 ? 19 O ? U HOH . ? A HOH 1147 ? 1_555 ZN ? S ZN . ? A ZN 1005 ? 1_555 O ? U HOH . ? A HOH 1283 ? 1_555 114.6 ? 20 O ? U HOH . ? A HOH 1147 ? 1_555 ZN ? S ZN . ? A ZN 1005 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 110.5 ? 21 O ? U HOH . ? A HOH 1283 ? 1_555 ZN ? S ZN . ? A ZN 1005 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 123.3 ? # 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 2006-10-03 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 AUTOMAR 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # 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 ASP A 462 ? ? 79.44 -1.01 2 1 TRP A 467 ? ? -139.55 -63.32 3 1 ALA A 482 ? ? -86.42 45.21 4 1 THR A 557 ? ? 68.01 -13.83 5 1 SER A 634 ? ? -166.09 33.50 6 1 LEU A 640 ? ? 73.92 -48.77 7 1 ARG A 654 ? ? 21.53 67.57 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id "C1'" _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id LAK _pdbx_validate_chiral.auth_seq_id 1001 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE LAK 6 'FE (III) ION' FE 7 'CARBONATE ION' CO3 8 'ZINC ION' ZN 9 'SULFATE ION' SO4 10 water HOH #