data_2H4I # _entry.id 2H4I # _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 2H4I RCSB RCSB037919 WWPDB D_1000037919 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1NKX 'native model' unspecified PDB 2B65 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2H4I _pdbx_database_status.recvd_initial_deposition_date 2006-05-24 _pdbx_database_status.deposit_site RCSB _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 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title ;Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 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 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 2H4I _cell.length_a 63.441 _cell.length_b 50.417 _cell.length_c 65.890 _cell.angle_alpha 90.00 _cell.angle_beta 107.84 _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 2H4I _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 ALPHA-LACTOSE 342.296 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 4 ? ? ? ? 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 18.015 251 ? ? ? ? # _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_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2H4I _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 361 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 705 _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 2H4I LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2H4I 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 LBT saccharide . ALPHA-LACTOSE ? '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 2H4I _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.81 _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 2006-05-12 _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 2H4I _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.55 _reflns.number_obs 12469 _reflns.number_all 12469 _reflns.percent_possible_obs 94.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.138 _reflns.pdbx_netI_over_sigmaI 6.8 _reflns.B_iso_Wilson_estimate 31.0 _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 2.55 _reflns_shell.d_res_low 2.71 _reflns_shell.percent_possible_all 71.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.352 _reflns_shell.meanI_over_sigI_obs 1.8 _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 2H4I _refine.ls_number_reflns_obs 12432 _refine.ls_number_reflns_all 12469 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 862451.14 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.55 _refine.ls_percent_reflns_obs 94.7 _refine.ls_R_factor_obs 0.188 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.188 _refine.ls_R_factor_R_free 0.216 _refine.ls_R_factor_R_free_error 0.009 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 634 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 35.9 _refine.aniso_B[1][1] 6.78 _refine.aniso_B[2][2] -1.54 _refine.aniso_B[3][3] -5.25 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.08 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.317118 _refine.solvent_model_param_bsol 48.5135 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 2B65 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _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_analyze.entry_id 2H4I _refine_analyze.Luzzati_coordinate_error_obs 0.26 _refine_analyze.Luzzati_sigma_a_obs 0.29 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.31 _refine_analyze.Luzzati_sigma_a_free 0.34 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 196 _refine_hist.number_atoms_solvent 251 _refine_hist.number_atoms_total 3052 _refine_hist.d_res_high 2.55 _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 c_bond_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 2.0 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 24.3 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.21 ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.94 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 3.19 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 2.91 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 4.43 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.55 _refine_ls_shell.d_res_low 2.71 _refine_ls_shell.number_reflns_R_work 1566 _refine_ls_shell.R_factor_R_work 0.256 _refine_ls_shell.percent_reflns_obs 76.7 _refine_ls_shell.R_factor_R_free 0.287 _refine_ls_shell.R_factor_R_free_error 0.030 _refine_ls_shell.percent_reflns_R_free 5.4 _refine_ls_shell.number_reflns_R_free 89 _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' # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 protein_rep.param ? 'X-RAY DIFFRACTION' 2 ion.param ? 'X-RAY DIFFRACTION' 3 water_rep.param ? 'X-RAY DIFFRACTION' 4 carbohydrate.param ? 'X-RAY DIFFRACTION' 5 cs.param ? 'X-RAY DIFFRACTION' # _struct.entry_id 2H4I _struct.title ;Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 A resolution ; _struct.pdbx_descriptor Lactotransferrin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2H4I _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text 'c-lobe, lactoferrin, lactose, 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 3 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 4 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 5 ? M N N 5 ? N N N 4 ? 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 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 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 ? LYS A 333 ? THR A 656 LYS A 674 1 ? 19 # _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 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.036 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 1.808 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.026 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.029 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.033 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.037 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.028 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.023 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.034 ? metalc1 metalc ? ? P FE . FE ? ? ? 1_555 A ASP 54 OD1 ? ? A FE 695 A ASP 395 1_555 ? ? ? ? ? ? ? 2.077 ? metalc2 metalc ? ? P FE . FE ? ? ? 1_555 A TYR 92 OH ? ? A FE 695 A TYR 433 1_555 ? ? ? ? ? ? ? 2.031 ? metalc3 metalc ? ? P FE . FE ? ? ? 1_555 A TYR 185 OH ? ? A FE 695 A TYR 526 1_555 ? ? ? ? ? ? ? 1.867 ? metalc4 metalc ? ? P FE . FE ? ? ? 1_555 A HIS 254 NE2 ? ? A FE 695 A HIS 595 1_555 ? ? ? ? ? ? ? 2.158 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.443 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.444 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.443 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E MAN . C1 ? ? A NAG 2 A MAN 3 1_555 ? ? ? ? ? ? ? 1.437 ? covale6 covale ? ? E MAN . O4 ? ? ? 1_555 F BMA . C1 ? ? A MAN 3 A BMA 4 1_555 ? ? ? ? ? ? ? 1.443 ? covale7 covale ? ? E MAN . O6 ? ? ? 1_555 G MAN . C1 ? ? A MAN 3 A MAN 5 1_555 ? ? ? ? ? ? ? 1.436 ? covale8 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.436 ? covale9 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.440 ? covale10 covale ? ? K NAG . O4 ? ? ? 1_555 L BMA . C1 ? ? A NAG 690 A BMA 691 1_555 ? ? ? ? ? ? ? 1.437 ? covale11 covale ? ? L BMA . O4 ? ? ? 1_555 M BMA . C1 ? ? A BMA 691 A BMA 692 1_555 ? ? ? ? ? ? ? 1.445 ? covale12 covale ? ? M BMA . O4 ? ? ? 1_555 N MAN . C1 ? ? A BMA 692 A MAN 693 1_555 ? ? ? ? ? ? ? 1.441 ? covale13 covale ? ? N MAN . O4 ? ? ? 1_555 O BMA . C1 ? ? A MAN 693 A BMA 694 1_555 ? ? ? ? ? ? ? 1.440 ? metalc5 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O2 ? ? A FE 695 A CO3 696 1_555 ? ? ? ? ? ? ? 2.273 ? metalc6 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O1 ? ? A FE 695 A CO3 696 1_555 ? ? ? ? ? ? ? 2.242 ? metalc7 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 697 A GLU 659 1_555 ? ? ? ? ? ? ? 2.172 ? metalc8 metalc ? ? R ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 697 A HOH 863 1_555 ? ? ? ? ? ? ? 2.179 ? metalc9 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE1 ? ? A ZN 697 A GLU 659 1_555 ? ? ? ? ? ? ? 2.247 ? metalc10 metalc ? ? S ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 698 A HIS 588 1_555 ? ? ? ? ? ? ? 2.102 ? metalc11 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 698 A HOH 815 1_555 ? ? ? ? ? ? ? 2.226 ? metalc12 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 698 A HOH 864 1_555 ? ? ? ? ? ? ? 2.143 ? metalc13 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 698 A HOH 865 1_555 ? ? ? ? ? ? ? 2.242 ? # 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 ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 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 ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 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 ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE LBT A 11' AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 1' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 2' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 3' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 4' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 5' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 687' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 688' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 689' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 690' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 691' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 692' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 693' BC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 694' BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 695' BC7 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 696' BC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 697' BC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 698' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 699' # 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 6 GLU A 317 ? GLU A 658 . ? 1_555 ? 2 AC1 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 3 AC1 6 GLY A 321 ? GLY A 662 . ? 1_555 ? 4 AC1 6 THR A 322 ? THR A 663 . ? 1_555 ? 5 AC1 6 HOH U . ? HOH A 818 . ? 1_555 ? 6 AC1 6 HOH U . ? HOH A 906 . ? 1_555 ? 7 AC2 8 NAG D . ? NAG A 2 . ? 1_555 ? 8 AC2 8 LEU A 132 ? LEU A 473 . ? 1_555 ? 9 AC2 8 ASN A 135 ? ASN A 476 . ? 1_555 ? 10 AC2 8 THR A 326 ? THR A 667 . ? 1_555 ? 11 AC2 8 ASN A 330 ? ASN A 671 . ? 1_555 ? 12 AC2 8 HOH U . ? HOH A 777 . ? 1_555 ? 13 AC2 8 HOH U . ? HOH A 923 . ? 1_555 ? 14 AC2 8 HOH U . ? HOH A 934 . ? 1_555 ? 15 AC3 4 NAG C . ? NAG A 1 . ? 1_555 ? 16 AC3 4 MAN E . ? MAN A 3 . ? 1_555 ? 17 AC3 4 GLU A 323 ? GLU A 664 . ? 1_555 ? 18 AC3 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 19 AC4 3 NAG D . ? NAG A 2 . ? 1_555 ? 20 AC4 3 BMA F . ? BMA A 4 . ? 1_555 ? 21 AC4 3 MAN G . ? MAN A 5 . ? 1_555 ? 22 AC5 2 MAN E . ? MAN A 3 . ? 1_555 ? 23 AC5 2 MAN G . ? MAN A 5 . ? 1_555 ? 24 AC6 3 MAN E . ? MAN A 3 . ? 1_555 ? 25 AC6 3 BMA F . ? BMA A 4 . ? 1_555 ? 26 AC6 3 HOH U . ? HOH A 940 . ? 1_555 ? 27 AC7 7 SER A 24 ? SER A 365 . ? 1_555 ? 28 AC7 7 ASN A 27 ? ASN A 368 . ? 1_555 ? 29 AC7 7 HIS A 272 ? HIS A 613 . ? 1_555 ? 30 AC7 7 GLN A 273 ? GLN A 614 . ? 1_555 ? 31 AC7 7 LEU A 276 ? LEU A 617 . ? 1_555 ? 32 AC7 7 NAG I . ? NAG A 688 . ? 1_555 ? 33 AC7 7 HOH U . ? HOH A 929 . ? 1_555 ? 34 AC8 2 NAG H . ? NAG A 687 . ? 1_555 ? 35 AC8 2 HOH U . ? HOH A 927 . ? 1_555 ? 36 AC9 6 ARG A 74 ? ARG A 415 . ? 1_555 ? 37 AC9 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 38 AC9 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 39 AC9 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 40 AC9 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 41 AC9 6 NAG K . ? NAG A 690 . ? 1_555 ? 42 BC1 4 TRP A 208 ? TRP A 549 . ? 1_555 ? 43 BC1 4 GLU A 214 ? GLU A 555 . ? 1_555 ? 44 BC1 4 NAG J . ? NAG A 689 . ? 1_555 ? 45 BC1 4 BMA L . ? BMA A 691 . ? 1_555 ? 46 BC2 3 LYS A 75 ? LYS A 416 . ? 1_555 ? 47 BC2 3 NAG K . ? NAG A 690 . ? 1_555 ? 48 BC2 3 BMA M . ? BMA A 692 . ? 1_555 ? 49 BC3 3 BMA L . ? BMA A 691 . ? 1_555 ? 50 BC3 3 MAN N . ? MAN A 693 . ? 1_555 ? 51 BC3 3 HOH U . ? HOH A 933 . ? 1_555 ? 52 BC4 4 SER A 77 ? SER A 418 . ? 1_555 ? 53 BC4 4 SER A 80 ? SER A 421 . ? 1_555 ? 54 BC4 4 BMA M . ? BMA A 692 . ? 1_555 ? 55 BC4 4 BMA O . ? BMA A 694 . ? 1_555 ? 56 BC5 1 MAN N . ? MAN A 693 . ? 1_555 ? 57 BC6 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 58 BC6 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 59 BC6 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 60 BC6 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 61 BC6 5 CO3 Q . ? CO3 A 696 . ? 1_555 ? 62 BC7 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 63 BC7 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 64 BC7 10 THR A 118 ? THR A 459 . ? 1_555 ? 65 BC7 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 66 BC7 10 THR A 123 ? THR A 464 . ? 1_555 ? 67 BC7 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 68 BC7 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 69 BC7 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 70 BC7 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 71 BC7 10 FE P . ? FE A 695 . ? 1_555 ? 72 BC8 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 73 BC8 2 HOH U . ? HOH A 863 . ? 1_555 ? 74 BC9 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 75 BC9 4 HOH U . ? HOH A 815 . ? 1_555 ? 76 BC9 4 HOH U . ? HOH A 864 . ? 1_555 ? 77 BC9 4 HOH U . ? HOH A 865 . ? 1_555 ? 78 CC1 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 79 CC1 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 80 CC1 4 HOH U . ? HOH A 887 . ? 1_555 ? 81 CC1 4 HOH U . ? HOH A 950 . ? 1_555 ? # _database_PDB_matrix.entry_id 2H4I _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 2H4I _atom_sites.fract_transf_matrix[1][1] 0.015763 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005073 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019835 _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] 0.015943 _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 ? 40.283 12.806 31.543 1.00 64.56 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 39.084 13.048 30.639 1.00 64.51 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.033 12.088 29.440 1.00 62.89 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 38.250 11.118 29.480 1.00 63.41 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 38.851 14.558 30.256 1.00 65.06 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 38.234 15.329 31.433 1.00 67.71 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 38.765 16.589 31.860 1.00 69.36 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 37.135 14.762 32.170 1.00 68.63 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 38.204 17.267 32.983 1.00 68.38 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 36.570 15.415 33.275 1.00 67.47 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 37.110 16.657 33.680 1.00 68.15 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 36.553 17.271 34.775 1.00 66.20 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.929 12.316 28.463 1.00 60.27 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.770 11.997 27.010 1.00 56.62 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.467 10.559 26.452 1.00 56.04 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.516 10.357 25.209 1.00 57.08 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.893 12.761 26.150 1.00 58.15 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 40.261 13.644 25.200 1.00 59.01 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.952 11.808 25.454 1.00 55.84 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.113 9.597 27.318 1.00 52.16 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.858 8.203 26.924 1.00 48.44 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.374 7.849 27.113 1.00 42.95 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.838 8.061 28.224 1.00 42.92 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.774 7.262 27.742 1.00 48.60 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.940 5.846 27.157 1.00 51.79 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 39.241 4.751 27.991 1.00 58.96 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.103 4.164 29.054 1.00 63.78 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.649 3.685 30.223 1.00 63.65 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.349 3.735 30.499 1.00 66.17 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 40.474 3.177 31.129 1.00 62.43 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.726 7.367 26.106 1.00 40.52 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.306 7.000 26.190 1.00 33.89 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 35.033 5.483 26.214 1.00 30.66 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.678 4.716 25.499 1.00 30.23 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.497 7.630 25.002 1.00 28.81 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.313 6.755 24.615 1.00 26.23 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 33.987 8.990 25.412 1.00 26.24 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.068 5.056 27.027 1.00 26.13 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.710 3.642 27.106 1.00 26.40 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.350 3.424 26.444 1.00 25.13 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.335 4.002 26.859 1.00 23.43 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.656 3.152 28.568 1.00 25.10 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.294 1.672 28.605 1.00 22.14 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.996 3.377 29.222 1.00 27.35 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.352 2.580 25.414 1.00 22.56 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.159 2.273 24.654 1.00 20.63 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.487 1.013 25.181 1.00 20.10 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.149 0.086 25.643 1.00 19.64 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.547 2.085 23.194 1.00 20.97 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.457 2.396 22.248 1.00 19.90 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.580 1.518 21.687 1.00 20.31 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.076 3.689 21.805 1.00 20.24 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.666 2.191 20.911 1.00 24.35 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.952 3.543 20.965 1.00 21.12 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.580 4.982 22.023 1.00 19.32 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.306 4.619 20.361 1.00 26.33 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.942 6.063 21.427 1.00 21.45 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.818 5.875 20.597 1.00 20.93 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.166 0.977 25.131 1.00 17.77 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.486 -0.211 25.593 1.00 18.47 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.912 -0.973 24.413 1.00 18.15 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.033 -0.482 23.703 1.00 16.75 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.378 0.139 26.573 1.00 19.31 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.796 -1.335 27.465 1.00 18.96 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.436 -2.175 24.208 1.00 16.74 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.004 -3.042 23.130 1.00 15.20 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.954 -4.009 23.654 1.00 14.70 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.055 -4.497 24.782 1.00 13.91 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.195 -3.798 22.590 1.00 14.12 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.945 -4.276 22.832 1.00 14.42 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.885 -5.186 23.215 1.00 13.93 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.078 -6.490 22.459 1.00 15.80 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.861 -6.538 21.254 1.00 16.68 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.512 -4.610 22.850 1.00 13.65 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.432 -5.591 23.222 1.00 8.62 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.304 -3.263 23.547 1.00 9.93 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.514 -7.536 23.159 1.00 17.27 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.694 -8.833 22.527 1.00 20.68 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.112 -9.113 22.075 1.00 21.66 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.925 -8.193 21.993 1.00 22.66 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.440 -10.378 21.761 1.00 22.82 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.761 -10.840 21.310 1.00 23.70 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.281 -10.174 20.038 1.00 23.51 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.448 -9.796 19.944 1.00 22.70 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.547 -12.344 21.101 1.00 22.38 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.444 -12.677 22.044 1.00 23.43 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.506 -11.514 21.841 1.00 26.51 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.403 -10.059 19.053 1.00 23.82 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.765 -9.475 17.775 1.00 23.94 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.146 -8.007 17.850 1.00 21.83 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.134 -7.595 17.236 1.00 21.25 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.640 -9.718 16.768 1.00 26.93 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.469 -11.204 16.485 1.00 29.30 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.587 -11.487 15.294 1.00 34.00 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.389 -11.133 15.336 1.00 38.72 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 27.101 -12.064 14.312 1.00 40.60 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.386 -7.223 18.610 1.00 20.10 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.707 -5.803 18.770 1.00 21.96 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.994 -5.659 19.576 1.00 23.20 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.773 -4.728 19.366 1.00 21.54 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.581 -5.047 19.463 1.00 20.48 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.407 -4.713 18.559 1.00 19.52 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.611 -3.545 19.093 1.00 20.78 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.864 -3.152 20.246 1.00 23.24 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.741 -3.023 18.372 1.00 20.22 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.223 -6.585 20.502 1.00 23.74 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.447 -6.549 21.286 1.00 26.22 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.640 -6.800 20.374 1.00 24.40 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.690 -6.214 20.555 1.00 26.91 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.434 -7.599 22.411 1.00 27.21 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.755 -7.625 23.185 1.00 32.02 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.849 -8.746 24.201 1.00 38.29 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.338 -9.843 23.981 1.00 41.60 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.525 -8.482 25.314 1.00 41.45 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.484 -7.684 19.398 1.00 25.56 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.578 -7.973 18.477 1.00 27.66 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.924 -6.736 17.666 1.00 27.62 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.091 -6.385 17.528 1.00 28.95 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.211 -9.121 17.530 1.00 32.23 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.178 -9.302 16.344 1.00 41.41 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 35.270 -10.351 16.595 1.00 49.51 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.689 -11.739 16.871 1.00 53.58 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 33.626 -12.118 15.885 1.00 55.61 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.911 -6.071 17.125 1.00 27.42 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.161 -4.866 16.334 1.00 27.76 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.727 -3.777 17.239 1.00 29.66 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.557 -2.968 16.820 1.00 31.07 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.874 -4.354 15.667 1.00 24.50 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.065 -3.048 14.922 1.00 21.21 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.823 -2.634 14.150 1.00 22.72 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.998 -1.278 13.460 1.00 22.23 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.857 -0.980 12.532 1.00 21.04 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.286 -3.770 18.491 1.00 30.45 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.751 -2.758 19.420 1.00 30.61 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.226 -2.910 19.754 1.00 32.65 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.958 -1.923 19.786 1.00 32.35 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.935 -2.754 20.716 1.00 27.45 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.309 -1.250 21.678 1.00 25.78 ? 358 CYS A SG 1 ATOM 139 N N A GLN A 1 18 ? 35.648 -4.145 19.992 0.60 33.19 ? 359 GLN A N 1 ATOM 140 N N B GLN A 1 18 ? 35.662 -4.140 20.033 0.40 33.53 ? 359 GLN A N 1 ATOM 141 C CA A GLN A 1 18 ? 37.031 -4.423 20.322 0.60 34.33 ? 359 GLN A CA 1 ATOM 142 C CA B GLN A 1 18 ? 37.064 -4.393 20.347 0.40 34.89 ? 359 GLN A CA 1 ATOM 143 C C A GLN A 1 18 ? 37.935 -3.985 19.186 0.60 35.75 ? 359 GLN A C 1 ATOM 144 C C B GLN A 1 18 ? 37.944 -3.960 19.182 0.40 35.97 ? 359 GLN A C 1 ATOM 145 O O A GLN A 1 18 ? 39.037 -3.490 19.416 0.60 36.11 ? 359 GLN A O 1 ATOM 146 O O B GLN A 1 18 ? 39.048 -3.454 19.385 0.40 36.44 ? 359 GLN A O 1 ATOM 147 C CB A GLN A 1 18 ? 37.213 -5.913 20.615 0.60 33.51 ? 359 GLN A CB 1 ATOM 148 C CB B GLN A 1 18 ? 37.317 -5.877 20.653 0.40 34.77 ? 359 GLN A CB 1 ATOM 149 C CG A GLN A 1 18 ? 37.192 -6.230 22.106 0.60 37.03 ? 359 GLN A CG 1 ATOM 150 C CG B GLN A 1 18 ? 37.113 -6.259 22.111 0.40 37.53 ? 359 GLN A CG 1 ATOM 151 C CD A GLN A 1 18 ? 36.867 -7.674 22.412 0.60 37.41 ? 359 GLN A CD 1 ATOM 152 C CD B GLN A 1 18 ? 37.859 -5.327 23.057 0.40 38.60 ? 359 GLN A CD 1 ATOM 153 O OE1 A GLN A 1 18 ? 36.789 -8.513 21.516 0.60 39.55 ? 359 GLN A OE1 1 ATOM 154 O OE1 B GLN A 1 18 ? 37.260 -4.765 23.972 0.40 40.02 ? 359 GLN A OE1 1 ATOM 155 N NE2 A GLN A 1 18 ? 36.672 -7.973 23.691 0.60 39.01 ? 359 GLN A NE2 1 ATOM 156 N NE2 B GLN A 1 18 ? 39.161 -5.150 22.835 0.40 38.74 ? 359 GLN A NE2 1 ATOM 157 N N . GLN A 1 19 ? 37.463 -4.154 17.957 1.00 35.60 ? 360 GLN A N 1 ATOM 158 C CA . GLN A 1 19 ? 38.242 -3.759 16.793 1.00 35.36 ? 360 GLN A CA 1 ATOM 159 C C . GLN A 1 19 ? 38.375 -2.240 16.736 1.00 34.58 ? 360 GLN A C 1 ATOM 160 O O . GLN A 1 19 ? 39.450 -1.714 16.467 1.00 32.68 ? 360 GLN A O 1 ATOM 161 C CB . GLN A 1 19 ? 37.584 -4.266 15.521 1.00 36.96 ? 360 GLN A CB 1 ATOM 162 C CG . GLN A 1 19 ? 38.180 -5.550 14.993 1.00 43.55 ? 360 GLN A CG 1 ATOM 163 C CD . GLN A 1 19 ? 37.447 -6.069 13.778 1.00 49.59 ? 360 GLN A CD 1 ATOM 164 O OE1 . GLN A 1 19 ? 37.160 -5.318 12.847 1.00 51.88 ? 360 GLN A OE1 1 ATOM 165 N NE2 . GLN A 1 19 ? 37.153 -7.365 13.772 1.00 51.16 ? 360 GLN A NE2 1 ATOM 166 N N . TRP A 1 20 ? 37.269 -1.542 16.977 1.00 33.38 ? 361 TRP A N 1 ATOM 167 C CA . TRP A 1 20 ? 37.264 -0.086 16.971 1.00 30.69 ? 361 TRP A CA 1 ATOM 168 C C . TRP A 1 20 ? 38.173 0.432 18.079 1.00 30.68 ? 361 TRP A C 1 ATOM 169 O O . TRP A 1 20 ? 38.907 1.405 17.892 1.00 30.11 ? 361 TRP A O 1 ATOM 170 C CB . TRP A 1 20 ? 35.844 0.433 17.188 1.00 29.50 ? 361 TRP A CB 1 ATOM 171 C CG . TRP A 1 20 ? 35.745 1.921 17.367 1.00 27.20 ? 361 TRP A CG 1 ATOM 172 C CD1 . TRP A 1 20 ? 36.661 2.863 16.980 1.00 27.15 ? 361 TRP A CD1 1 ATOM 173 C CD2 . TRP A 1 20 ? 34.626 2.644 17.894 1.00 26.82 ? 361 TRP A CD2 1 ATOM 174 N NE1 . TRP A 1 20 ? 36.179 4.123 17.229 1.00 27.57 ? 361 TRP A NE1 1 ATOM 175 C CE2 . TRP A 1 20 ? 34.932 4.020 17.791 1.00 27.11 ? 361 TRP A CE2 1 ATOM 176 C CE3 . TRP A 1 20 ? 33.393 2.263 18.446 1.00 23.64 ? 361 TRP A CE3 1 ATOM 177 C CZ2 . TRP A 1 20 ? 34.049 5.019 18.220 1.00 25.71 ? 361 TRP A CZ2 1 ATOM 178 C CZ3 . TRP A 1 20 ? 32.517 3.257 18.875 1.00 25.49 ? 361 TRP A CZ3 1 ATOM 179 C CH2 . TRP A 1 20 ? 32.851 4.619 18.759 1.00 23.92 ? 361 TRP A CH2 1 ATOM 180 N N . SER A 1 21 ? 38.114 -0.222 19.236 1.00 30.25 ? 362 SER A N 1 ATOM 181 C CA . SER A 1 21 ? 38.928 0.161 20.390 1.00 32.04 ? 362 SER A CA 1 ATOM 182 C C . SER A 1 21 ? 40.409 0.072 20.070 1.00 34.17 ? 362 SER A C 1 ATOM 183 O O . SER A 1 21 ? 41.200 0.930 20.462 1.00 33.13 ? 362 SER A O 1 ATOM 184 C CB . SER A 1 21 ? 38.645 -0.759 21.574 1.00 30.71 ? 362 SER A CB 1 ATOM 185 O OG . SER A 1 21 ? 39.545 -0.502 22.642 1.00 26.87 ? 362 SER A OG 1 ATOM 186 N N . GLN A 1 22 ? 40.775 -0.988 19.361 1.00 36.27 ? 363 GLN A N 1 ATOM 187 C CA . GLN A 1 22 ? 42.159 -1.225 18.984 1.00 37.12 ? 363 GLN A CA 1 ATOM 188 C C . GLN A 1 22 ? 42.695 -0.214 17.981 1.00 37.52 ? 363 GLN A C 1 ATOM 189 O O . GLN A 1 22 ? 43.800 0.297 18.132 1.00 38.47 ? 363 GLN A O 1 ATOM 190 C CB . GLN A 1 22 ? 42.275 -2.627 18.409 1.00 40.61 ? 363 GLN A CB 1 ATOM 191 C CG . GLN A 1 22 ? 43.557 -2.893 17.645 1.00 48.27 ? 363 GLN A CG 1 ATOM 192 C CD . GLN A 1 22 ? 43.748 -4.365 17.336 1.00 52.68 ? 363 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 22 ? 43.095 -4.924 16.452 1.00 54.17 ? 363 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 22 ? 44.641 -5.006 18.082 1.00 54.43 ? 363 GLN A NE2 1 ATOM 195 N N . GLN A 1 23 ? 41.905 0.046 16.945 1.00 37.24 ? 364 GLN A N 1 ATOM 196 C CA . GLN A 1 23 ? 42.250 0.994 15.891 1.00 35.88 ? 364 GLN A CA 1 ATOM 197 C C . GLN A 1 23 ? 42.268 2.423 16.411 1.00 35.39 ? 364 GLN A C 1 ATOM 198 O O . GLN A 1 23 ? 42.866 3.309 15.798 1.00 36.89 ? 364 GLN A O 1 ATOM 199 C CB . GLN A 1 23 ? 41.230 0.907 14.749 1.00 37.99 ? 364 GLN A CB 1 ATOM 200 C CG . GLN A 1 23 ? 41.329 -0.343 13.909 1.00 39.69 ? 364 GLN A CG 1 ATOM 201 C CD . GLN A 1 23 ? 42.658 -0.441 13.195 1.00 43.28 ? 364 GLN A CD 1 ATOM 202 O OE1 . GLN A 1 23 ? 42.998 0.415 12.377 1.00 46.56 ? 364 GLN A OE1 1 ATOM 203 N NE2 . GLN A 1 23 ? 43.420 -1.486 13.499 1.00 44.20 ? 364 GLN A NE2 1 ATOM 204 N N . SER A 1 24 ? 41.601 2.653 17.535 1.00 34.95 ? 365 SER A N 1 ATOM 205 C CA . SER A 1 24 ? 41.530 3.986 18.120 1.00 34.11 ? 365 SER A CA 1 ATOM 206 C C . SER A 1 24 ? 42.674 4.243 19.098 1.00 35.32 ? 365 SER A C 1 ATOM 207 O O . SER A 1 24 ? 42.787 5.333 19.651 1.00 36.17 ? 365 SER A O 1 ATOM 208 C CB . SER A 1 24 ? 40.198 4.155 18.849 1.00 32.08 ? 365 SER A CB 1 ATOM 209 O OG . SER A 1 24 ? 40.101 3.261 19.945 1.00 33.35 ? 365 SER A OG 1 ATOM 210 N N . GLY A 1 25 ? 43.519 3.237 19.303 1.00 36.89 ? 366 GLY A N 1 ATOM 211 C CA . GLY A 1 25 ? 44.622 3.379 20.233 1.00 38.83 ? 366 GLY A CA 1 ATOM 212 C C . GLY A 1 25 ? 44.108 3.640 21.635 1.00 41.27 ? 366 GLY A C 1 ATOM 213 O O . GLY A 1 25 ? 44.679 4.436 22.394 1.00 41.67 ? 366 GLY A O 1 ATOM 214 N N . GLN A 1 26 ? 43.013 2.956 21.957 1.00 43.78 ? 367 GLN A N 1 ATOM 215 C CA . GLN A 1 26 ? 42.337 3.035 23.242 1.00 43.82 ? 367 GLN A CA 1 ATOM 216 C C . GLN A 1 26 ? 41.631 4.325 23.557 1.00 42.47 ? 367 GLN A C 1 ATOM 217 O O . GLN A 1 26 ? 41.301 4.583 24.708 1.00 43.62 ? 367 GLN A O 1 ATOM 218 C CB . GLN A 1 26 ? 43.282 2.735 24.393 1.00 46.43 ? 367 GLN A CB 1 ATOM 219 C CG . GLN A 1 26 ? 43.001 1.414 25.019 1.00 51.41 ? 367 GLN A CG 1 ATOM 220 C CD . GLN A 1 26 ? 43.439 0.306 24.131 1.00 53.95 ? 367 GLN A CD 1 ATOM 221 O OE1 . GLN A 1 26 ? 44.610 -0.073 24.131 1.00 58.94 ? 367 GLN A OE1 1 ATOM 222 N NE2 . GLN A 1 26 ? 42.514 -0.214 23.336 1.00 57.00 ? 367 GLN A NE2 1 ATOM 223 N N . ASN A 1 27 ? 41.399 5.167 22.566 1.00 41.52 ? 368 ASN A N 1 ATOM 224 C CA . ASN A 1 27 ? 40.686 6.397 22.881 1.00 40.08 ? 368 ASN A CA 1 ATOM 225 C C . ASN A 1 27 ? 39.258 5.962 23.171 1.00 36.80 ? 368 ASN A C 1 ATOM 226 O O . ASN A 1 27 ? 38.519 6.643 23.870 1.00 38.88 ? 368 ASN A O 1 ATOM 227 C CB . ASN A 1 27 ? 40.792 7.400 21.735 1.00 44.04 ? 368 ASN A CB 1 ATOM 228 C CG . ASN A 1 27 ? 42.095 8.199 21.796 1.00 49.40 ? 368 ASN A CG 1 ATOM 229 O OD1 . ASN A 1 27 ? 42.972 7.921 22.622 1.00 51.14 ? 368 ASN A OD1 1 ATOM 230 N ND2 . ASN A 1 27 ? 42.193 9.190 20.914 1.00 55.26 ? 368 ASN A ND2 1 ATOM 231 N N . VAL A 1 28 ? 38.887 4.801 22.636 1.00 35.01 ? 369 VAL A N 1 ATOM 232 C CA . VAL A 1 28 ? 37.583 4.206 22.890 1.00 32.16 ? 369 VAL A CA 1 ATOM 233 C C . VAL A 1 28 ? 37.786 2.785 23.392 1.00 31.57 ? 369 VAL A C 1 ATOM 234 O O . VAL A 1 28 ? 38.514 1.975 22.797 1.00 30.93 ? 369 VAL A O 1 ATOM 235 C CB . VAL A 1 28 ? 36.662 4.168 21.658 1.00 32.90 ? 369 VAL A CB 1 ATOM 236 C CG1 . VAL A 1 28 ? 35.516 3.196 21.925 1.00 32.01 ? 369 VAL A CG1 1 ATOM 237 C CG2 . VAL A 1 28 ? 36.092 5.552 21.391 1.00 31.20 ? 369 VAL A CG2 1 ATOM 238 N N . THR A 1 29 ? 37.127 2.505 24.508 1.00 30.62 ? 370 THR A N 1 ATOM 239 C CA . THR A 1 29 ? 37.197 1.211 25.168 1.00 28.97 ? 370 THR A CA 1 ATOM 240 C C . THR A 1 29 ? 35.791 0.592 25.148 1.00 28.06 ? 370 THR A C 1 ATOM 241 O O . THR A 1 29 ? 34.825 1.279 24.809 1.00 28.77 ? 370 THR A O 1 ATOM 242 C CB . THR A 1 29 ? 37.773 1.427 26.596 1.00 27.82 ? 370 THR A CB 1 ATOM 243 O OG1 . THR A 1 29 ? 39.103 0.911 26.638 1.00 29.70 ? 370 THR A OG1 1 ATOM 244 C CG2 . THR A 1 29 ? 36.935 0.785 27.671 1.00 33.74 ? 370 THR A CG2 1 ATOM 245 N N . CYS A 1 30 ? 35.668 -0.695 25.470 1.00 26.87 ? 371 CYS A N 1 ATOM 246 C CA . CYS A 1 30 ? 34.362 -1.354 25.429 1.00 25.11 ? 371 CYS A CA 1 ATOM 247 C C . CYS A 1 30 ? 33.848 -2.046 26.695 1.00 26.19 ? 371 CYS A C 1 ATOM 248 O O . CYS A 1 30 ? 34.603 -2.580 27.498 1.00 26.64 ? 371 CYS A O 1 ATOM 249 C CB . CYS A 1 30 ? 34.333 -2.380 24.294 1.00 21.67 ? 371 CYS A CB 1 ATOM 250 S SG . CYS A 1 30 ? 34.982 -1.753 22.723 1.00 24.81 ? 371 CYS A SG 1 ATOM 251 N N . ALA A 1 31 ? 32.528 -2.032 26.822 1.00 26.14 ? 372 ALA A N 1 ATOM 252 C CA . ALA A 1 31 ? 31.789 -2.647 27.908 1.00 25.67 ? 372 ALA A CA 1 ATOM 253 C C . ALA A 1 31 ? 30.724 -3.444 27.182 1.00 27.38 ? 372 ALA A C 1 ATOM 254 O O . ALA A 1 31 ? 30.236 -3.005 26.141 1.00 29.64 ? 372 ALA A O 1 ATOM 255 C CB . ALA A 1 31 ? 31.147 -1.584 28.780 1.00 25.78 ? 372 ALA A CB 1 ATOM 256 N N . THR A 1 32 ? 30.364 -4.607 27.721 1.00 27.70 ? 373 THR A N 1 ATOM 257 C CA . THR A 1 32 ? 29.368 -5.453 27.081 1.00 24.17 ? 373 THR A CA 1 ATOM 258 C C . THR A 1 32 ? 28.232 -5.873 28.006 1.00 23.30 ? 373 THR A C 1 ATOM 259 O O . THR A 1 32 ? 28.453 -6.156 29.179 1.00 22.72 ? 373 THR A O 1 ATOM 260 C CB . THR A 1 32 ? 30.029 -6.719 26.530 1.00 25.38 ? 373 THR A CB 1 ATOM 261 O OG1 . THR A 1 32 ? 31.212 -6.360 25.803 1.00 27.79 ? 373 THR A OG1 1 ATOM 262 C CG2 . THR A 1 32 ? 29.070 -7.460 25.605 1.00 26.13 ? 373 THR A CG2 1 ATOM 263 N N . ALA A 1 33 ? 27.016 -5.909 27.466 1.00 22.29 ? 374 ALA A N 1 ATOM 264 C CA . ALA A 1 33 ? 25.834 -6.314 28.226 1.00 22.80 ? 374 ALA A CA 1 ATOM 265 C C . ALA A 1 33 ? 24.979 -7.179 27.307 1.00 21.68 ? 374 ALA A C 1 ATOM 266 O O . ALA A 1 33 ? 25.128 -7.119 26.089 1.00 21.90 ? 374 ALA A O 1 ATOM 267 C CB . ALA A 1 33 ? 25.039 -5.076 28.692 1.00 21.17 ? 374 ALA A CB 1 ATOM 268 N N . SER A 1 34 ? 24.097 -7.987 27.883 1.00 21.59 ? 375 SER A N 1 ATOM 269 C CA . SER A 1 34 ? 23.242 -8.856 27.081 1.00 23.03 ? 375 SER A CA 1 ATOM 270 C C . SER A 1 34 ? 22.073 -8.133 26.454 1.00 21.67 ? 375 SER A C 1 ATOM 271 O O . SER A 1 34 ? 21.478 -8.616 25.498 1.00 22.90 ? 375 SER A O 1 ATOM 272 C CB . SER A 1 34 ? 22.719 -10.027 27.924 1.00 26.58 ? 375 SER A CB 1 ATOM 273 O OG . SER A 1 34 ? 23.728 -11.008 28.105 1.00 33.10 ? 375 SER A OG 1 ATOM 274 N N . THR A 1 35 ? 21.727 -6.977 26.993 1.00 21.38 ? 376 THR A N 1 ATOM 275 C CA . THR A 1 35 ? 20.601 -6.243 26.449 1.00 20.90 ? 376 THR A CA 1 ATOM 276 C C . THR A 1 35 ? 20.804 -4.741 26.484 1.00 21.75 ? 376 THR A C 1 ATOM 277 O O . THR A 1 35 ? 21.677 -4.233 27.200 1.00 22.94 ? 376 THR A O 1 ATOM 278 C CB . THR A 1 35 ? 19.314 -6.571 27.218 1.00 23.20 ? 376 THR A CB 1 ATOM 279 O OG1 . THR A 1 35 ? 19.350 -5.935 28.504 1.00 27.94 ? 376 THR A OG1 1 ATOM 280 C CG2 . THR A 1 35 ? 19.190 -8.091 27.399 1.00 19.33 ? 376 THR A CG2 1 ATOM 281 N N . THR A 1 36 ? 19.984 -4.038 25.701 1.00 18.57 ? 377 THR A N 1 ATOM 282 C CA . THR A 1 36 ? 20.033 -2.596 25.621 1.00 14.84 ? 377 THR A CA 1 ATOM 283 C C . THR A 1 36 ? 19.733 -2.004 26.990 1.00 18.52 ? 377 THR A C 1 ATOM 284 O O . THR A 1 36 ? 20.397 -1.051 27.416 1.00 17.60 ? 377 THR A O 1 ATOM 285 C CB . THR A 1 36 ? 19.026 -2.087 24.608 1.00 13.12 ? 377 THR A CB 1 ATOM 286 O OG1 . THR A 1 36 ? 19.398 -2.542 23.302 1.00 17.70 ? 377 THR A OG1 1 ATOM 287 C CG2 . THR A 1 36 ? 18.995 -0.570 24.608 1.00 15.58 ? 377 THR A CG2 1 ATOM 288 N N . ASP A 1 37 ? 18.764 -2.579 27.702 1.00 19.75 ? 378 ASP A N 1 ATOM 289 C CA . ASP A 1 37 ? 18.425 -2.067 29.026 1.00 20.18 ? 378 ASP A CA 1 ATOM 290 C C . ASP A 1 37 ? 19.609 -2.163 29.979 1.00 19.19 ? 378 ASP A C 1 ATOM 291 O O . ASP A 1 37 ? 19.854 -1.235 30.750 1.00 20.79 ? 378 ASP A O 1 ATOM 292 C CB . ASP A 1 37 ? 17.218 -2.812 29.594 1.00 22.11 ? 378 ASP A CB 1 ATOM 293 C CG . ASP A 1 37 ? 15.926 -2.440 28.896 1.00 27.04 ? 378 ASP A CG 1 ATOM 294 O OD1 . ASP A 1 37 ? 15.856 -1.350 28.281 1.00 29.40 ? 378 ASP A OD1 1 ATOM 295 O OD2 . ASP A 1 37 ? 14.972 -3.231 28.986 1.00 31.03 ? 378 ASP A OD2 1 ATOM 296 N N . ASP A 1 38 ? 20.351 -3.266 29.923 1.00 15.20 ? 379 ASP A N 1 ATOM 297 C CA . ASP A 1 38 ? 21.501 -3.404 30.795 1.00 15.09 ? 379 ASP A CA 1 ATOM 298 C C . ASP A 1 38 ? 22.584 -2.416 30.428 1.00 16.98 ? 379 ASP A C 1 ATOM 299 O O . ASP A 1 38 ? 23.327 -1.973 31.293 1.00 20.63 ? 379 ASP A O 1 ATOM 300 C CB . ASP A 1 38 ? 22.061 -4.822 30.755 1.00 18.56 ? 379 ASP A CB 1 ATOM 301 C CG . ASP A 1 38 ? 21.178 -5.815 31.496 1.00 20.94 ? 379 ASP A CG 1 ATOM 302 O OD1 . ASP A 1 38 ? 20.754 -5.524 32.637 1.00 23.17 ? 379 ASP A OD1 1 ATOM 303 O OD2 . ASP A 1 38 ? 20.910 -6.899 30.943 1.00 23.37 ? 379 ASP A OD2 1 ATOM 304 N N . CYS A 1 39 ? 22.691 -2.069 29.151 1.00 16.63 ? 380 CYS A N 1 ATOM 305 C CA . CYS A 1 39 ? 23.696 -1.098 28.749 1.00 18.27 ? 380 CYS A CA 1 ATOM 306 C C . CYS A 1 39 ? 23.316 0.257 29.361 1.00 20.61 ? 380 CYS A C 1 ATOM 307 O O . CYS A 1 39 ? 24.184 1.016 29.797 1.00 21.98 ? 380 CYS A O 1 ATOM 308 C CB . CYS A 1 39 ? 23.765 -0.983 27.229 1.00 19.62 ? 380 CYS A CB 1 ATOM 309 S SG . CYS A 1 39 ? 25.128 -1.931 26.472 1.00 17.20 ? 380 CYS A SG 1 ATOM 310 N N . ILE A 1 40 ? 22.018 0.555 29.396 1.00 21.31 ? 381 ILE A N 1 ATOM 311 C CA . ILE A 1 40 ? 21.554 1.801 29.977 1.00 21.64 ? 381 ILE A CA 1 ATOM 312 C C . ILE A 1 40 ? 21.946 1.827 31.444 1.00 24.17 ? 381 ILE A C 1 ATOM 313 O O . ILE A 1 40 ? 22.392 2.867 31.943 1.00 25.29 ? 381 ILE A O 1 ATOM 314 C CB . ILE A 1 40 ? 20.019 1.966 29.893 1.00 22.50 ? 381 ILE A CB 1 ATOM 315 C CG1 . ILE A 1 40 ? 19.569 2.061 28.431 1.00 23.58 ? 381 ILE A CG1 1 ATOM 316 C CG2 . ILE A 1 40 ? 19.599 3.232 30.627 1.00 20.51 ? 381 ILE A CG2 1 ATOM 317 C CD1 . ILE A 1 40 ? 20.232 3.190 27.667 1.00 37.14 ? 381 ILE A CD1 1 ATOM 318 N N . VAL A 1 41 ? 21.770 0.701 32.144 1.00 23.52 ? 382 VAL A N 1 ATOM 319 C CA . VAL A 1 41 ? 22.121 0.643 33.563 1.00 19.56 ? 382 VAL A CA 1 ATOM 320 C C . VAL A 1 41 ? 23.609 0.908 33.760 1.00 20.35 ? 382 VAL A C 1 ATOM 321 O O . VAL A 1 41 ? 23.982 1.686 34.642 1.00 19.67 ? 382 VAL A O 1 ATOM 322 C CB . VAL A 1 41 ? 21.774 -0.722 34.184 1.00 17.79 ? 382 VAL A CB 1 ATOM 323 C CG1 . VAL A 1 41 ? 22.508 -0.907 35.501 1.00 14.35 ? 382 VAL A CG1 1 ATOM 324 C CG2 . VAL A 1 41 ? 20.267 -0.807 34.447 1.00 17.70 ? 382 VAL A CG2 1 ATOM 325 N N . LEU A 1 42 ? 24.456 0.280 32.937 1.00 19.63 ? 383 LEU A N 1 ATOM 326 C CA . LEU A 1 42 ? 25.902 0.479 33.047 1.00 17.41 ? 383 LEU A CA 1 ATOM 327 C C . LEU A 1 42 ? 26.265 1.949 32.861 1.00 17.72 ? 383 LEU A C 1 ATOM 328 O O . LEU A 1 42 ? 27.190 2.452 33.494 1.00 18.17 ? 383 LEU A O 1 ATOM 329 C CB . LEU A 1 42 ? 26.664 -0.367 32.023 1.00 16.25 ? 383 LEU A CB 1 ATOM 330 C CG . LEU A 1 42 ? 26.669 -1.902 32.142 1.00 20.66 ? 383 LEU A CG 1 ATOM 331 C CD1 . LEU A 1 42 ? 27.554 -2.519 31.059 1.00 15.49 ? 383 LEU A CD1 1 ATOM 332 C CD2 . LEU A 1 42 ? 27.171 -2.309 33.510 1.00 22.07 ? 383 LEU A CD2 1 ATOM 333 N N . VAL A 1 43 ? 25.549 2.645 31.987 1.00 16.30 ? 384 VAL A N 1 ATOM 334 C CA . VAL A 1 43 ? 25.817 4.068 31.778 1.00 19.22 ? 384 VAL A CA 1 ATOM 335 C C . VAL A 1 43 ? 25.395 4.845 33.040 1.00 20.95 ? 384 VAL A C 1 ATOM 336 O O . VAL A 1 43 ? 26.146 5.677 33.555 1.00 17.35 ? 384 VAL A O 1 ATOM 337 C CB . VAL A 1 43 ? 25.044 4.605 30.543 1.00 19.17 ? 384 VAL A CB 1 ATOM 338 C CG1 . VAL A 1 43 ? 25.269 6.117 30.389 1.00 13.76 ? 384 VAL A CG1 1 ATOM 339 C CG2 . VAL A 1 43 ? 25.498 3.868 29.294 1.00 9.64 ? 384 VAL A CG2 1 ATOM 340 N N . LEU A 1 44 ? 24.198 4.556 33.537 1.00 20.80 ? 385 LEU A N 1 ATOM 341 C CA . LEU A 1 44 ? 23.704 5.204 34.743 1.00 21.83 ? 385 LEU A CA 1 ATOM 342 C C . LEU A 1 44 ? 24.720 5.123 35.880 1.00 24.17 ? 385 LEU A C 1 ATOM 343 O O . LEU A 1 44 ? 25.036 6.127 36.529 1.00 24.26 ? 385 LEU A O 1 ATOM 344 C CB . LEU A 1 44 ? 22.398 4.539 35.187 1.00 19.93 ? 385 LEU A CB 1 ATOM 345 C CG . LEU A 1 44 ? 21.145 5.007 34.455 1.00 20.38 ? 385 LEU A CG 1 ATOM 346 C CD1 . LEU A 1 44 ? 19.967 4.174 34.890 1.00 19.73 ? 385 LEU A CD1 1 ATOM 347 C CD2 . LEU A 1 44 ? 20.906 6.479 34.752 1.00 19.60 ? 385 LEU A CD2 1 ATOM 348 N N . LYS A 1 45 ? 25.207 3.903 36.114 1.00 24.37 ? 386 LYS A N 1 ATOM 349 C CA . LYS A 1 45 ? 26.179 3.624 37.165 1.00 22.01 ? 386 LYS A CA 1 ATOM 350 C C . LYS A 1 45 ? 27.489 4.315 36.862 1.00 22.03 ? 386 LYS A C 1 ATOM 351 O O . LYS A 1 45 ? 28.320 4.499 37.755 1.00 19.93 ? 386 LYS A O 1 ATOM 352 C CB . LYS A 1 45 ? 26.433 2.116 37.290 1.00 23.78 ? 386 LYS A CB 1 ATOM 353 C CG . LYS A 1 45 ? 25.247 1.337 37.831 1.00 24.55 ? 386 LYS A CG 1 ATOM 354 C CD . LYS A 1 45 ? 25.651 -0.037 38.336 1.00 27.87 ? 386 LYS A CD 1 ATOM 355 C CE . LYS A 1 45 ? 26.127 -0.949 37.228 1.00 30.34 ? 386 LYS A CE 1 ATOM 356 N NZ . LYS A 1 45 ? 26.295 -2.328 37.756 1.00 31.13 ? 386 LYS A NZ 1 ATOM 357 N N . GLY A 1 46 ? 27.664 4.701 35.602 1.00 21.38 ? 387 GLY A N 1 ATOM 358 C CA . GLY A 1 46 ? 28.892 5.355 35.209 1.00 22.08 ? 387 GLY A CA 1 ATOM 359 C C . GLY A 1 46 ? 29.957 4.357 34.798 1.00 23.24 ? 387 GLY A C 1 ATOM 360 O O . GLY A 1 46 ? 31.112 4.718 34.631 1.00 24.50 ? 387 GLY A O 1 ATOM 361 N N . GLU A 1 47 ? 29.581 3.095 34.636 1.00 24.83 ? 388 GLU A N 1 ATOM 362 C CA . GLU A 1 47 ? 30.551 2.080 34.233 1.00 25.92 ? 388 GLU A CA 1 ATOM 363 C C . GLU A 1 47 ? 30.800 2.058 32.725 1.00 25.35 ? 388 GLU A C 1 ATOM 364 O O . GLU A 1 47 ? 31.767 1.453 32.261 1.00 27.78 ? 388 GLU A O 1 ATOM 365 C CB . GLU A 1 47 ? 30.126 0.703 34.768 1.00 26.65 ? 388 GLU A CB 1 ATOM 366 C CG . GLU A 1 47 ? 30.356 0.625 36.266 1.00 28.34 ? 388 GLU A CG 1 ATOM 367 C CD . GLU A 1 47 ? 29.642 -0.515 36.947 1.00 29.59 ? 388 GLU A CD 1 ATOM 368 O OE1 . GLU A 1 47 ? 29.216 -0.298 38.098 1.00 28.97 ? 388 GLU A OE1 1 ATOM 369 O OE2 . GLU A 1 47 ? 29.512 -1.609 36.355 1.00 30.04 ? 388 GLU A OE2 1 ATOM 370 N N . ALA A 1 48 ? 29.923 2.720 31.972 1.00 22.80 ? 389 ALA A N 1 ATOM 371 C CA . ALA A 1 48 ? 30.059 2.858 30.515 1.00 21.11 ? 389 ALA A CA 1 ATOM 372 C C . ALA A 1 48 ? 29.680 4.313 30.204 1.00 19.74 ? 389 ALA A C 1 ATOM 373 O O . ALA A 1 48 ? 28.998 4.949 31.002 1.00 21.94 ? 389 ALA A O 1 ATOM 374 C CB . ALA A 1 48 ? 29.121 1.890 29.786 1.00 18.12 ? 389 ALA A CB 1 ATOM 375 N N . ASP A 1 49 ? 30.114 4.838 29.065 1.00 19.26 ? 390 ASP A N 1 ATOM 376 C CA . ASP A 1 49 ? 29.811 6.230 28.709 1.00 20.98 ? 390 ASP A CA 1 ATOM 377 C C . ASP A 1 49 ? 28.649 6.468 27.749 1.00 20.82 ? 390 ASP A C 1 ATOM 378 O O . ASP A 1 49 ? 27.829 7.364 27.975 1.00 23.44 ? 390 ASP A O 1 ATOM 379 C CB . ASP A 1 49 ? 31.056 6.916 28.129 1.00 19.49 ? 390 ASP A CB 1 ATOM 380 C CG . ASP A 1 49 ? 32.121 7.150 29.165 1.00 17.90 ? 390 ASP A CG 1 ATOM 381 O OD1 . ASP A 1 49 ? 31.842 7.884 30.128 1.00 21.20 ? 390 ASP A OD1 1 ATOM 382 O OD2 . ASP A 1 49 ? 33.232 6.600 29.033 1.00 23.26 ? 390 ASP A OD2 1 ATOM 383 N N . ALA A 1 50 ? 28.577 5.685 26.677 1.00 18.67 ? 391 ALA A N 1 ATOM 384 C CA . ALA A 1 50 ? 27.526 5.895 25.697 1.00 17.66 ? 391 ALA A CA 1 ATOM 385 C C . ALA A 1 50 ? 27.242 4.708 24.812 1.00 15.43 ? 391 ALA A C 1 ATOM 386 O O . ALA A 1 50 ? 27.949 3.697 24.826 1.00 17.34 ? 391 ALA A O 1 ATOM 387 C CB . ALA A 1 50 ? 27.889 7.098 24.801 1.00 15.86 ? 391 ALA A CB 1 ATOM 388 N N . LEU A 1 51 ? 26.183 4.869 24.029 1.00 14.83 ? 392 LEU A N 1 ATOM 389 C CA . LEU A 1 51 ? 25.752 3.883 23.049 1.00 15.79 ? 392 LEU A CA 1 ATOM 390 C C . LEU A 1 51 ? 24.696 4.570 22.188 1.00 16.41 ? 392 LEU A C 1 ATOM 391 O O . LEU A 1 51 ? 24.109 5.595 22.568 1.00 15.47 ? 392 LEU A O 1 ATOM 392 C CB . LEU A 1 51 ? 25.137 2.628 23.694 1.00 13.68 ? 392 LEU A CB 1 ATOM 393 C CG . LEU A 1 51 ? 23.743 2.681 24.341 1.00 13.70 ? 392 LEU A CG 1 ATOM 394 C CD1 . LEU A 1 51 ? 23.220 1.261 24.509 1.00 15.78 ? 392 LEU A CD1 1 ATOM 395 C CD2 . LEU A 1 51 ? 23.780 3.405 25.705 1.00 13.84 ? 392 LEU A CD2 1 ATOM 396 N N . ASN A 1 52 ? 24.478 4.010 21.008 1.00 20.18 ? 393 ASN A N 1 ATOM 397 C CA . ASN A 1 52 ? 23.512 4.539 20.053 1.00 19.83 ? 393 ASN A CA 1 ATOM 398 C C . ASN A 1 52 ? 22.161 3.825 20.301 1.00 20.28 ? 393 ASN A C 1 ATOM 399 O O . ASN A 1 52 ? 22.118 2.603 20.508 1.00 19.86 ? 393 ASN A O 1 ATOM 400 C CB . ASN A 1 52 ? 24.057 4.285 18.645 1.00 20.43 ? 393 ASN A CB 1 ATOM 401 C CG . ASN A 1 52 ? 23.194 4.885 17.556 1.00 21.05 ? 393 ASN A CG 1 ATOM 402 O OD1 . ASN A 1 52 ? 22.809 6.047 17.626 1.00 23.86 ? 393 ASN A OD1 1 ATOM 403 N ND2 . ASN A 1 52 ? 22.900 4.092 16.529 1.00 21.06 ? 393 ASN A ND2 1 ATOM 404 N N . LEU A 1 53 ? 21.061 4.574 20.293 1.00 17.73 ? 394 LEU A N 1 ATOM 405 C CA . LEU A 1 53 ? 19.758 3.970 20.568 1.00 17.15 ? 394 LEU A CA 1 ATOM 406 C C . LEU A 1 53 ? 18.591 4.333 19.656 1.00 18.84 ? 394 LEU A C 1 ATOM 407 O O . LEU A 1 53 ? 18.469 5.469 19.162 1.00 19.97 ? 394 LEU A O 1 ATOM 408 C CB . LEU A 1 53 ? 19.312 4.296 22.004 1.00 19.13 ? 394 LEU A CB 1 ATOM 409 C CG . LEU A 1 53 ? 20.100 3.918 23.262 1.00 16.51 ? 394 LEU A CG 1 ATOM 410 C CD1 . LEU A 1 53 ? 19.421 4.554 24.461 1.00 17.06 ? 394 LEU A CD1 1 ATOM 411 C CD2 . LEU A 1 53 ? 20.173 2.420 23.439 1.00 15.55 ? 394 LEU A CD2 1 ATOM 412 N N . ASP A 1 54 ? 17.720 3.346 19.465 1.00 18.47 ? 395 ASP A N 1 ATOM 413 C CA . ASP A 1 54 ? 16.500 3.519 18.703 1.00 16.91 ? 395 ASP A CA 1 ATOM 414 C C . ASP A 1 54 ? 15.680 4.455 19.592 1.00 18.75 ? 395 ASP A C 1 ATOM 415 O O . ASP A 1 54 ? 15.866 4.483 20.810 1.00 19.82 ? 395 ASP A O 1 ATOM 416 C CB . ASP A 1 54 ? 15.785 2.176 18.555 1.00 15.17 ? 395 ASP A CB 1 ATOM 417 C CG . ASP A 1 54 ? 14.333 2.331 18.187 1.00 15.76 ? 395 ASP A CG 1 ATOM 418 O OD1 . ASP A 1 54 ? 14.026 2.636 17.020 1.00 21.96 ? 395 ASP A OD1 1 ATOM 419 O OD2 . ASP A 1 54 ? 13.493 2.164 19.081 1.00 22.17 ? 395 ASP A OD2 1 ATOM 420 N N . GLY A 1 55 ? 14.769 5.206 18.993 1.00 17.86 ? 396 GLY A N 1 ATOM 421 C CA . GLY A 1 55 ? 13.959 6.127 19.763 1.00 16.47 ? 396 GLY A CA 1 ATOM 422 C C . GLY A 1 55 ? 13.211 5.520 20.937 1.00 16.33 ? 396 GLY A C 1 ATOM 423 O O . GLY A 1 55 ? 13.002 6.183 21.955 1.00 16.96 ? 396 GLY A O 1 ATOM 424 N N . GLY A 1 56 ? 12.777 4.275 20.788 1.00 15.70 ? 397 GLY A N 1 ATOM 425 C CA . GLY A 1 56 ? 12.042 3.614 21.851 1.00 17.20 ? 397 GLY A CA 1 ATOM 426 C C . GLY A 1 56 ? 12.848 3.549 23.133 1.00 18.50 ? 397 GLY A C 1 ATOM 427 O O . GLY A 1 56 ? 12.304 3.723 24.233 1.00 18.08 ? 397 GLY A O 1 ATOM 428 N N . TYR A 1 57 ? 14.149 3.313 22.993 1.00 17.71 ? 398 TYR A N 1 ATOM 429 C CA . TYR A 1 57 ? 15.027 3.234 24.144 1.00 20.66 ? 398 TYR A CA 1 ATOM 430 C C . TYR A 1 57 ? 15.444 4.617 24.634 1.00 23.05 ? 398 TYR A C 1 ATOM 431 O O . TYR A 1 57 ? 15.661 4.803 25.836 1.00 23.35 ? 398 TYR A O 1 ATOM 432 C CB . TYR A 1 57 ? 16.260 2.391 23.821 1.00 21.57 ? 398 TYR A CB 1 ATOM 433 C CG . TYR A 1 57 ? 15.963 0.945 23.448 1.00 24.48 ? 398 TYR A CG 1 ATOM 434 C CD1 . TYR A 1 57 ? 15.115 0.146 24.222 1.00 27.63 ? 398 TYR A CD1 1 ATOM 435 C CD2 . TYR A 1 57 ? 16.599 0.349 22.359 1.00 27.39 ? 398 TYR A CD2 1 ATOM 436 C CE1 . TYR A 1 57 ? 14.919 -1.211 23.919 1.00 27.49 ? 398 TYR A CE1 1 ATOM 437 C CE2 . TYR A 1 57 ? 16.415 -1.007 22.056 1.00 29.19 ? 398 TYR A CE2 1 ATOM 438 C CZ . TYR A 1 57 ? 15.578 -1.779 22.841 1.00 29.64 ? 398 TYR A CZ 1 ATOM 439 O OH . TYR A 1 57 ? 15.452 -3.121 22.555 1.00 32.93 ? 398 TYR A OH 1 ATOM 440 N N . ILE A 1 58 ? 15.558 5.584 23.721 1.00 25.52 ? 399 ILE A N 1 ATOM 441 C CA . ILE A 1 58 ? 15.928 6.949 24.098 1.00 24.17 ? 399 ILE A CA 1 ATOM 442 C C . ILE A 1 58 ? 14.919 7.438 25.131 1.00 24.76 ? 399 ILE A C 1 ATOM 443 O O . ILE A 1 58 ? 15.260 8.168 26.053 1.00 26.18 ? 399 ILE A O 1 ATOM 444 C CB . ILE A 1 58 ? 15.872 7.951 22.876 1.00 30.03 ? 399 ILE A CB 1 ATOM 445 C CG1 . ILE A 1 58 ? 16.911 7.581 21.807 1.00 27.91 ? 399 ILE A CG1 1 ATOM 446 C CG2 . ILE A 1 58 ? 16.112 9.393 23.360 1.00 24.84 ? 399 ILE A CG2 1 ATOM 447 C CD1 . ILE A 1 58 ? 18.289 7.369 22.374 1.00 39.90 ? 399 ILE A CD1 1 ATOM 448 N N . TYR A 1 59 ? 13.666 7.041 24.942 1.00 24.91 ? 400 TYR A N 1 ATOM 449 C CA . TYR A 1 59 ? 12.578 7.426 25.836 1.00 28.07 ? 400 TYR A CA 1 ATOM 450 C C . TYR A 1 59 ? 12.834 6.844 27.231 1.00 27.90 ? 400 TYR A C 1 ATOM 451 O O . TYR A 1 59 ? 12.779 7.569 28.221 1.00 29.44 ? 400 TYR A O 1 ATOM 452 C CB . TYR A 1 59 ? 11.242 6.920 25.280 1.00 26.12 ? 400 TYR A CB 1 ATOM 453 C CG . TYR A 1 59 ? 10.052 7.111 26.189 1.00 25.04 ? 400 TYR A CG 1 ATOM 454 C CD1 . TYR A 1 59 ? 9.346 8.312 26.224 1.00 26.69 ? 400 TYR A CD1 1 ATOM 455 C CD2 . TYR A 1 59 ? 9.644 6.086 27.029 1.00 27.80 ? 400 TYR A CD2 1 ATOM 456 C CE1 . TYR A 1 59 ? 8.257 8.482 27.083 1.00 24.03 ? 400 TYR A CE1 1 ATOM 457 C CE2 . TYR A 1 59 ? 8.561 6.238 27.895 1.00 27.59 ? 400 TYR A CE2 1 ATOM 458 C CZ . TYR A 1 59 ? 7.872 7.435 27.920 1.00 28.83 ? 400 TYR A CZ 1 ATOM 459 O OH . TYR A 1 59 ? 6.818 7.559 28.804 1.00 31.37 ? 400 TYR A OH 1 ATOM 460 N N . THR A 1 60 ? 13.122 5.544 27.307 1.00 27.72 ? 401 THR A N 1 ATOM 461 C CA . THR A 1 60 ? 13.410 4.878 28.582 1.00 25.99 ? 401 THR A CA 1 ATOM 462 C C . THR A 1 60 ? 14.584 5.589 29.261 1.00 27.04 ? 401 THR A C 1 ATOM 463 O O . THR A 1 60 ? 14.474 6.037 30.407 1.00 28.08 ? 401 THR A O 1 ATOM 464 C CB . THR A 1 60 ? 13.827 3.392 28.384 1.00 24.19 ? 401 THR A CB 1 ATOM 465 O OG1 . THR A 1 60 ? 12.711 2.628 27.918 1.00 24.31 ? 401 THR A OG1 1 ATOM 466 C CG2 . THR A 1 60 ? 14.329 2.789 29.698 1.00 22.78 ? 401 THR A CG2 1 ATOM 467 N N . ALA A 1 61 ? 15.704 5.677 28.545 1.00 23.24 ? 402 ALA A N 1 ATOM 468 C CA . ALA A 1 61 ? 16.901 6.330 29.047 1.00 22.62 ? 402 ALA A CA 1 ATOM 469 C C . ALA A 1 61 ? 16.646 7.759 29.543 1.00 22.73 ? 402 ALA A C 1 ATOM 470 O O . ALA A 1 61 ? 17.175 8.158 30.587 1.00 21.69 ? 402 ALA A O 1 ATOM 471 C CB . ALA A 1 61 ? 17.972 6.335 27.953 1.00 20.87 ? 402 ALA A CB 1 ATOM 472 N N . GLY A 1 62 ? 15.835 8.512 28.795 1.00 21.98 ? 403 GLY A N 1 ATOM 473 C CA . GLY A 1 62 ? 15.529 9.889 29.149 1.00 21.49 ? 403 GLY A CA 1 ATOM 474 C C . GLY A 1 62 ? 14.884 10.069 30.509 1.00 25.53 ? 403 GLY A C 1 ATOM 475 O O . GLY A 1 62 ? 15.228 11.010 31.239 1.00 26.68 ? 403 GLY A O 1 ATOM 476 N N . LYS A 1 63 ? 13.953 9.182 30.860 1.00 25.16 ? 404 LYS A N 1 ATOM 477 C CA . LYS A 1 63 ? 13.296 9.262 32.155 1.00 22.52 ? 404 LYS A CA 1 ATOM 478 C C . LYS A 1 63 ? 14.314 9.028 33.246 1.00 22.27 ? 404 LYS A C 1 ATOM 479 O O . LYS A 1 63 ? 14.085 9.348 34.408 1.00 23.20 ? 404 LYS A O 1 ATOM 480 C CB . LYS A 1 63 ? 12.204 8.218 32.249 1.00 22.85 ? 404 LYS A CB 1 ATOM 481 C CG . LYS A 1 63 ? 11.114 8.450 31.254 1.00 26.35 ? 404 LYS A CG 1 ATOM 482 C CD . LYS A 1 63 ? 9.780 7.976 31.764 1.00 31.39 ? 404 LYS A CD 1 ATOM 483 C CE . LYS A 1 63 ? 8.667 8.881 31.248 1.00 34.24 ? 404 LYS A CE 1 ATOM 484 N NZ . LYS A 1 63 ? 8.784 10.256 31.800 1.00 36.28 ? 404 LYS A NZ 1 ATOM 485 N N . CYS A 1 64 ? 15.448 8.462 32.863 1.00 24.24 ? 405 CYS A N 1 ATOM 486 C CA . CYS A 1 64 ? 16.498 8.199 33.819 1.00 23.47 ? 405 CYS A CA 1 ATOM 487 C C . CYS A 1 64 ? 17.621 9.227 33.730 1.00 19.42 ? 405 CYS A C 1 ATOM 488 O O . CYS A 1 64 ? 18.719 9.001 34.216 1.00 16.81 ? 405 CYS A O 1 ATOM 489 C CB . CYS A 1 64 ? 17.040 6.781 33.624 1.00 27.75 ? 405 CYS A CB 1 ATOM 490 S SG . CYS A 1 64 ? 15.950 5.402 34.149 1.00 34.14 ? 405 CYS A SG 1 ATOM 491 N N . GLY A 1 65 ? 17.344 10.348 33.080 1.00 19.64 ? 406 GLY A N 1 ATOM 492 C CA . GLY A 1 65 ? 18.334 11.396 32.978 1.00 20.57 ? 406 GLY A CA 1 ATOM 493 C C . GLY A 1 65 ? 19.404 11.339 31.905 1.00 22.15 ? 406 GLY A C 1 ATOM 494 O O . GLY A 1 65 ? 20.255 12.230 31.860 1.00 23.76 ? 406 GLY A O 1 ATOM 495 N N . LEU A 1 66 ? 19.403 10.324 31.050 1.00 21.92 ? 407 LEU A N 1 ATOM 496 C CA . LEU A 1 66 ? 20.421 10.283 30.003 1.00 23.14 ? 407 LEU A CA 1 ATOM 497 C C . LEU A 1 66 ? 19.997 11.261 28.921 1.00 21.83 ? 407 LEU A C 1 ATOM 498 O O . LEU A 1 66 ? 18.810 11.555 28.782 1.00 21.30 ? 407 LEU A O 1 ATOM 499 C CB . LEU A 1 66 ? 20.581 8.873 29.416 1.00 24.19 ? 407 LEU A CB 1 ATOM 500 C CG . LEU A 1 66 ? 21.020 7.759 30.367 1.00 23.23 ? 407 LEU A CG 1 ATOM 501 C CD1 . LEU A 1 66 ? 21.530 6.598 29.542 1.00 27.61 ? 407 LEU A CD1 1 ATOM 502 C CD2 . LEU A 1 66 ? 22.119 8.246 31.293 1.00 24.89 ? 407 LEU A CD2 1 ATOM 503 N N . VAL A 1 67 ? 20.957 11.777 28.160 1.00 21.18 ? 408 VAL A N 1 ATOM 504 C CA . VAL A 1 67 ? 20.624 12.744 27.120 1.00 22.47 ? 408 VAL A CA 1 ATOM 505 C C . VAL A 1 67 ? 21.129 12.449 25.713 1.00 22.40 ? 408 VAL A C 1 ATOM 506 O O . VAL A 1 67 ? 22.233 11.937 25.523 1.00 22.52 ? 408 VAL A O 1 ATOM 507 C CB . VAL A 1 67 ? 21.116 14.176 27.497 1.00 22.25 ? 408 VAL A CB 1 ATOM 508 C CG1 . VAL A 1 67 ? 20.466 14.626 28.791 1.00 23.67 ? 408 VAL A CG1 1 ATOM 509 C CG2 . VAL A 1 67 ? 22.630 14.208 27.622 1.00 17.92 ? 408 VAL A CG2 1 ATOM 510 N N . PRO A 1 68 ? 20.310 12.767 24.700 1.00 22.16 ? 409 PRO A N 1 ATOM 511 C CA . PRO A 1 68 ? 20.725 12.538 23.314 1.00 21.66 ? 409 PRO A CA 1 ATOM 512 C C . PRO A 1 68 ? 21.920 13.456 23.050 1.00 19.81 ? 409 PRO A C 1 ATOM 513 O O . PRO A 1 68 ? 21.906 14.615 23.439 1.00 22.41 ? 409 PRO A O 1 ATOM 514 C CB . PRO A 1 68 ? 19.481 12.914 22.515 1.00 20.78 ? 409 PRO A CB 1 ATOM 515 C CG . PRO A 1 68 ? 18.773 13.896 23.410 1.00 23.95 ? 409 PRO A CG 1 ATOM 516 C CD . PRO A 1 68 ? 18.930 13.267 24.764 1.00 20.37 ? 409 PRO A CD 1 ATOM 517 N N . VAL A 1 69 ? 22.951 12.934 22.393 1.00 20.51 ? 410 VAL A N 1 ATOM 518 C CA . VAL A 1 69 ? 24.185 13.686 22.129 1.00 19.96 ? 410 VAL A CA 1 ATOM 519 C C . VAL A 1 69 ? 24.408 14.039 20.662 1.00 21.63 ? 410 VAL A C 1 ATOM 520 O O . VAL A 1 69 ? 24.592 15.199 20.304 1.00 20.70 ? 410 VAL A O 1 ATOM 521 C CB . VAL A 1 69 ? 25.402 12.878 22.649 1.00 19.30 ? 410 VAL A CB 1 ATOM 522 C CG1 . VAL A 1 69 ? 26.688 13.521 22.208 1.00 18.76 ? 410 VAL A CG1 1 ATOM 523 C CG2 . VAL A 1 69 ? 25.326 12.771 24.162 1.00 21.72 ? 410 VAL A CG2 1 ATOM 524 N N . LEU A 1 70 ? 24.415 13.011 19.826 1.00 24.69 ? 411 LEU A N 1 ATOM 525 C CA . LEU A 1 70 ? 24.592 13.143 18.382 1.00 24.15 ? 411 LEU A CA 1 ATOM 526 C C . LEU A 1 70 ? 23.639 12.124 17.777 1.00 24.67 ? 411 LEU A C 1 ATOM 527 O O . LEU A 1 70 ? 23.411 11.068 18.374 1.00 22.19 ? 411 LEU A O 1 ATOM 528 C CB . LEU A 1 70 ? 26.036 12.802 17.973 1.00 25.02 ? 411 LEU A CB 1 ATOM 529 C CG . LEU A 1 70 ? 27.184 13.730 18.398 1.00 24.32 ? 411 LEU A CG 1 ATOM 530 C CD1 . LEU A 1 70 ? 28.521 13.099 18.021 1.00 24.19 ? 411 LEU A CD1 1 ATOM 531 C CD2 . LEU A 1 70 ? 27.033 15.094 17.727 1.00 21.70 ? 411 LEU A CD2 1 ATOM 532 N N . ALA A 1 71 ? 23.078 12.421 16.609 1.00 24.35 ? 412 ALA A N 1 ATOM 533 C CA . ALA A 1 71 ? 22.141 11.485 15.982 1.00 26.51 ? 412 ALA A CA 1 ATOM 534 C C . ALA A 1 71 ? 22.638 10.949 14.635 1.00 24.76 ? 412 ALA A C 1 ATOM 535 O O . ALA A 1 71 ? 23.431 11.601 13.956 1.00 27.79 ? 412 ALA A O 1 ATOM 536 C CB . ALA A 1 71 ? 20.765 12.168 15.804 1.00 22.76 ? 412 ALA A CB 1 ATOM 537 N N . GLU A 1 72 ? 22.185 9.754 14.262 1.00 22.74 ? 413 GLU A N 1 ATOM 538 C CA . GLU A 1 72 ? 22.563 9.153 12.980 1.00 22.92 ? 413 GLU A CA 1 ATOM 539 C C . GLU A 1 72 ? 21.963 9.998 11.869 1.00 25.52 ? 413 GLU A C 1 ATOM 540 O O . GLU A 1 72 ? 20.865 10.547 12.007 1.00 21.52 ? 413 GLU A O 1 ATOM 541 C CB . GLU A 1 72 ? 22.001 7.733 12.820 1.00 20.76 ? 413 GLU A CB 1 ATOM 542 C CG . GLU A 1 72 ? 22.578 6.662 13.722 1.00 19.70 ? 413 GLU A CG 1 ATOM 543 C CD . GLU A 1 72 ? 22.082 5.284 13.325 1.00 21.57 ? 413 GLU A CD 1 ATOM 544 O OE1 . GLU A 1 72 ? 21.010 5.207 12.685 1.00 18.74 ? 413 GLU A OE1 1 ATOM 545 O OE2 . GLU A 1 72 ? 22.752 4.282 13.651 1.00 15.75 ? 413 GLU A OE2 1 ATOM 546 N N . ASN A 1 73 ? 22.673 10.077 10.754 1.00 30.76 ? 414 ASN A N 1 ATOM 547 C CA . ASN A 1 73 ? 22.195 10.847 9.625 1.00 37.41 ? 414 ASN A CA 1 ATOM 548 C C . ASN A 1 73 ? 22.534 10.144 8.330 1.00 41.40 ? 414 ASN A C 1 ATOM 549 O O . ASN A 1 73 ? 23.697 9.896 8.025 1.00 39.92 ? 414 ASN A O 1 ATOM 550 C CB . ASN A 1 73 ? 22.825 12.230 9.642 1.00 38.12 ? 414 ASN A CB 1 ATOM 551 C CG . ASN A 1 73 ? 21.852 13.315 9.272 1.00 38.78 ? 414 ASN A CG 1 ATOM 552 O OD1 . ASN A 1 73 ? 22.224 14.484 9.208 1.00 41.74 ? 414 ASN A OD1 1 ATOM 553 N ND2 . ASN A 1 73 ? 20.594 12.948 9.051 1.00 38.88 ? 414 ASN A ND2 1 ATOM 554 N N A ARG A 1 74 ? 21.510 9.777 7.565 0.60 45.41 ? 415 ARG A N 1 ATOM 555 N N B ARG A 1 74 ? 21.499 9.856 7.563 0.40 45.84 ? 415 ARG A N 1 ATOM 556 C CA A ARG A 1 74 ? 21.726 9.106 6.282 0.60 51.59 ? 415 ARG A CA 1 ATOM 557 C CA B ARG A 1 74 ? 21.672 9.176 6.304 0.40 51.95 ? 415 ARG A CA 1 ATOM 558 C C A ARG A 1 74 ? 21.606 10.124 5.142 0.60 55.83 ? 415 ARG A C 1 ATOM 559 C C B ARG A 1 74 ? 21.583 10.156 5.124 0.40 55.96 ? 415 ARG A C 1 ATOM 560 O O A ARG A 1 74 ? 21.008 11.186 5.306 0.60 55.81 ? 415 ARG A O 1 ATOM 561 O O B ARG A 1 74 ? 21.012 11.242 5.253 0.40 56.04 ? 415 ARG A O 1 ATOM 562 C CB A ARG A 1 74 ? 20.696 7.993 6.070 0.60 51.50 ? 415 ARG A CB 1 ATOM 563 C CB B ARG A 1 74 ? 20.621 8.083 6.205 0.40 52.23 ? 415 ARG A CB 1 ATOM 564 C CG A ARG A 1 74 ? 19.278 8.514 5.993 0.60 53.69 ? 415 ARG A CG 1 ATOM 565 C CG B ARG A 1 74 ? 19.209 8.570 6.064 0.40 54.36 ? 415 ARG A CG 1 ATOM 566 C CD A ARG A 1 74 ? 18.389 7.601 5.177 0.60 56.73 ? 415 ARG A CD 1 ATOM 567 C CD B ARG A 1 74 ? 18.445 7.399 5.557 0.40 56.71 ? 415 ARG A CD 1 ATOM 568 N NE A ARG A 1 74 ? 17.077 8.200 4.944 0.60 59.26 ? 415 ARG A NE 1 ATOM 569 N NE B ARG A 1 74 ? 17.222 7.805 4.897 0.40 58.62 ? 415 ARG A NE 1 ATOM 570 C CZ A ARG A 1 74 ? 16.337 8.767 5.892 0.60 59.60 ? 415 ARG A CZ 1 ATOM 571 C CZ B ARG A 1 74 ? 16.884 7.532 3.636 0.40 58.60 ? 415 ARG A CZ 1 ATOM 572 N NH1 A ARG A 1 74 ? 16.775 8.819 7.144 0.60 59.49 ? 415 ARG A NH1 1 ATOM 573 N NH1 B ARG A 1 74 ? 15.735 8.015 3.186 0.40 58.11 ? 415 ARG A NH1 1 ATOM 574 N NH2 A ARG A 1 74 ? 15.152 9.276 5.594 0.60 59.88 ? 415 ARG A NH2 1 ATOM 575 N NH2 B ARG A 1 74 ? 17.659 6.817 2.817 0.40 59.34 ? 415 ARG A NH2 1 ATOM 576 N N . LYS A 1 75 ? 22.165 9.777 3.987 1.00 59.68 ? 416 LYS A N 1 ATOM 577 C CA . LYS A 1 75 ? 22.153 10.632 2.792 1.00 65.39 ? 416 LYS A CA 1 ATOM 578 C C . LYS A 1 75 ? 20.772 11.148 2.348 1.00 69.89 ? 416 LYS A C 1 ATOM 579 O O . LYS A 1 75 ? 19.783 10.411 2.349 1.00 70.79 ? 416 LYS A O 1 ATOM 580 C CB . LYS A 1 75 ? 22.809 9.883 1.630 1.00 66.20 ? 416 LYS A CB 1 ATOM 581 C CG . LYS A 1 75 ? 22.331 8.436 1.514 1.00 66.95 ? 416 LYS A CG 1 ATOM 582 C CD . LYS A 1 75 ? 22.933 7.705 0.321 1.00 71.81 ? 416 LYS A CD 1 ATOM 583 C CE . LYS A 1 75 ? 24.402 7.304 0.518 1.00 74.49 ? 416 LYS A CE 1 ATOM 584 N NZ . LYS A 1 75 ? 24.609 5.931 1.094 1.00 76.06 ? 416 LYS A NZ 1 ATOM 585 N N . SER A 1 76 ? 20.711 12.424 1.977 1.00 73.86 ? 417 SER A N 1 ATOM 586 C CA . SER A 1 76 ? 19.468 13.017 1.518 1.00 79.22 ? 417 SER A CA 1 ATOM 587 C C . SER A 1 76 ? 19.693 13.828 0.253 1.00 83.61 ? 417 SER A C 1 ATOM 588 O O . SER A 1 76 ? 20.787 14.345 0.010 1.00 85.17 ? 417 SER A O 1 ATOM 589 C CB . SER A 1 76 ? 18.834 13.905 2.609 1.00 78.44 ? 417 SER A CB 1 ATOM 590 O OG . SER A 1 76 ? 19.509 15.143 2.748 1.00 78.34 ? 417 SER A OG 1 ATOM 591 N N . SER A 1 77 ? 18.655 13.911 -0.571 1.00 87.00 ? 418 SER A N 1 ATOM 592 C CA . SER A 1 77 ? 18.720 14.682 -1.814 1.00 90.31 ? 418 SER A CA 1 ATOM 593 C C . SER A 1 77 ? 18.531 16.140 -1.441 1.00 92.02 ? 418 SER A C 1 ATOM 594 O O . SER A 1 77 ? 19.374 16.982 -1.744 1.00 91.83 ? 418 SER A O 1 ATOM 595 C CB . SER A 1 77 ? 17.617 14.224 -2.756 1.00 91.88 ? 418 SER A CB 1 ATOM 596 O OG . SER A 1 77 ? 16.416 13.975 -2.044 1.00 93.41 ? 418 SER A OG 1 ATOM 597 N N . LYS A 1 78 ? 17.408 16.433 -0.791 1.00 93.35 ? 419 LYS A N 1 ATOM 598 C CA . LYS A 1 78 ? 17.137 17.781 -0.319 1.00 94.20 ? 419 LYS A CA 1 ATOM 599 C C . LYS A 1 78 ? 18.081 17.975 0.870 1.00 95.30 ? 419 LYS A C 1 ATOM 600 O O . LYS A 1 78 ? 18.361 17.024 1.620 1.00 94.70 ? 419 LYS A O 1 ATOM 601 C CB . LYS A 1 78 ? 15.674 17.912 0.109 1.00 93.62 ? 419 LYS A CB 1 ATOM 602 C CG . LYS A 1 78 ? 15.281 19.318 0.516 1.00 94.30 ? 419 LYS A CG 1 ATOM 603 C CD . LYS A 1 78 ? 15.396 19.541 2.015 1.00 93.54 ? 419 LYS A CD 1 ATOM 604 C CE . LYS A 1 78 ? 15.241 21.022 2.347 1.00 93.56 ? 419 LYS A CE 1 ATOM 605 N NZ . LYS A 1 78 ? 15.072 21.266 3.807 1.00 92.91 ? 419 LYS A NZ 1 ATOM 606 N N . HIS A 1 79 ? 18.551 19.205 1.050 1.00 96.23 ? 420 HIS A N 1 ATOM 607 C CA . HIS A 1 79 ? 19.503 19.502 2.109 1.00 97.09 ? 420 HIS A CA 1 ATOM 608 C C . HIS A 1 79 ? 20.824 18.859 1.717 1.00 95.92 ? 420 HIS A C 1 ATOM 609 O O . HIS A 1 79 ? 21.454 18.101 2.464 1.00 95.60 ? 420 HIS A O 1 ATOM 610 C CB . HIS A 1 79 ? 18.975 19.003 3.447 1.00 98.36 ? 420 HIS A CB 1 ATOM 611 C CG . HIS A 1 79 ? 18.481 20.114 4.318 1.00 99.93 ? 420 HIS A CG 1 ATOM 612 N ND1 . HIS A 1 79 ? 17.495 19.948 5.266 1.00 99.98 ? 420 HIS A ND1 1 ATOM 613 C CD2 . HIS A 1 79 ? 18.855 21.415 4.388 1.00 100.65 ? 420 HIS A CD2 1 ATOM 614 C CE1 . HIS A 1 79 ? 17.284 21.098 5.884 1.00 100.61 ? 420 HIS A CE1 1 ATOM 615 N NE2 . HIS A 1 79 ? 18.098 22.003 5.371 1.00 100.68 ? 420 HIS A NE2 1 ATOM 616 N N . SER A 1 80 ? 21.201 19.211 0.494 1.00 94.39 ? 421 SER A N 1 ATOM 617 C CA . SER A 1 80 ? 22.389 18.757 -0.196 1.00 91.50 ? 421 SER A CA 1 ATOM 618 C C . SER A 1 80 ? 23.562 19.707 0.009 1.00 88.97 ? 421 SER A C 1 ATOM 619 O O . SER A 1 80 ? 24.719 19.306 -0.087 1.00 88.23 ? 421 SER A O 1 ATOM 620 C CB . SER A 1 80 ? 22.076 18.666 -1.693 1.00 91.52 ? 421 SER A CB 1 ATOM 621 O OG . SER A 1 80 ? 21.748 19.952 -2.198 1.00 90.19 ? 421 SER A OG 1 ATOM 622 N N . SER A 1 81 ? 23.263 20.969 0.286 1.00 85.84 ? 422 SER A N 1 ATOM 623 C CA . SER A 1 81 ? 24.294 21.987 0.464 1.00 82.66 ? 422 SER A CA 1 ATOM 624 C C . SER A 1 81 ? 25.085 21.973 1.770 1.00 78.61 ? 422 SER A C 1 ATOM 625 O O . SER A 1 81 ? 26.301 22.211 1.763 1.00 77.69 ? 422 SER A O 1 ATOM 626 C CB . SER A 1 81 ? 23.668 23.369 0.273 1.00 83.76 ? 422 SER A CB 1 ATOM 627 O OG . SER A 1 81 ? 22.256 23.262 0.242 1.00 85.29 ? 422 SER A OG 1 ATOM 628 N N . LEU A 1 82 ? 24.417 21.693 2.885 1.00 73.11 ? 423 LEU A N 1 ATOM 629 C CA . LEU A 1 82 ? 25.098 21.692 4.189 1.00 65.51 ? 423 LEU A CA 1 ATOM 630 C C . LEU A 1 82 ? 25.847 20.381 4.454 1.00 60.31 ? 423 LEU A C 1 ATOM 631 O O . LEU A 1 82 ? 25.485 19.338 3.904 1.00 59.57 ? 423 LEU A O 1 ATOM 632 C CB . LEU A 1 82 ? 24.070 21.897 5.289 1.00 64.59 ? 423 LEU A CB 1 ATOM 633 C CG . LEU A 1 82 ? 22.827 22.669 4.860 1.00 64.62 ? 423 LEU A CG 1 ATOM 634 C CD1 . LEU A 1 82 ? 21.635 22.097 5.591 1.00 64.13 ? 423 LEU A CD1 1 ATOM 635 C CD2 . LEU A 1 82 ? 22.999 24.143 5.138 1.00 65.32 ? 423 LEU A CD2 1 ATOM 636 N N A ASP A 1 83 ? 26.876 20.447 5.303 0.60 56.65 ? 424 ASP A N 1 ATOM 637 N N B ASP A 1 83 ? 26.879 20.424 5.291 0.40 58.01 ? 424 ASP A N 1 ATOM 638 C CA A ASP A 1 83 ? 27.634 19.247 5.599 0.60 52.60 ? 424 ASP A CA 1 ATOM 639 C CA B ASP A 1 83 ? 27.660 19.240 5.632 0.40 54.74 ? 424 ASP A CA 1 ATOM 640 C C A ASP A 1 83 ? 26.760 18.278 6.389 0.60 50.69 ? 424 ASP A C 1 ATOM 641 C C B ASP A 1 83 ? 26.776 18.284 6.396 0.40 52.10 ? 424 ASP A C 1 ATOM 642 O O A ASP A 1 83 ? 25.760 18.681 6.989 0.60 50.49 ? 424 ASP A O 1 ATOM 643 O O B ASP A 1 83 ? 25.782 18.700 6.977 0.40 51.88 ? 424 ASP A O 1 ATOM 644 C CB A ASP A 1 83 ? 28.896 19.584 6.380 0.60 50.62 ? 424 ASP A CB 1 ATOM 645 C CB B ASP A 1 83 ? 28.848 19.559 6.549 0.40 55.20 ? 424 ASP A CB 1 ATOM 646 C CG A ASP A 1 83 ? 30.114 18.860 5.838 0.60 48.05 ? 424 ASP A CG 1 ATOM 647 C CG B ASP A 1 83 ? 29.309 20.986 6.472 0.40 55.28 ? 424 ASP A CG 1 ATOM 648 O OD1 A ASP A 1 83 ? 30.521 19.165 4.697 0.60 44.17 ? 424 ASP A OD1 1 ATOM 649 O OD1 B ASP A 1 83 ? 28.539 21.795 5.947 0.40 54.26 ? 424 ASP A OD1 1 ATOM 650 O OD2 A ASP A 1 83 ? 30.661 17.985 6.546 0.60 46.99 ? 424 ASP A OD2 1 ATOM 651 O OD2 B ASP A 1 83 ? 30.416 21.304 6.947 0.40 55.60 ? 424 ASP A OD2 1 ATOM 652 N N . CYS A 1 84 ? 27.134 17.004 6.387 1.00 49.84 ? 425 CYS A N 1 ATOM 653 C CA . CYS A 1 84 ? 26.369 15.997 7.102 1.00 44.87 ? 425 CYS A CA 1 ATOM 654 C C . CYS A 1 84 ? 26.279 16.330 8.590 1.00 43.17 ? 425 CYS A C 1 ATOM 655 O O . CYS A 1 84 ? 25.198 16.283 9.180 1.00 41.97 ? 425 CYS A O 1 ATOM 656 C CB . CYS A 1 84 ? 26.997 14.612 6.928 1.00 42.40 ? 425 CYS A CB 1 ATOM 657 S SG . CYS A 1 84 ? 26.060 13.302 7.773 1.00 42.38 ? 425 CYS A SG 1 ATOM 658 N N . VAL A 1 85 ? 27.413 16.680 9.189 1.00 40.92 ? 426 VAL A N 1 ATOM 659 C CA . VAL A 1 85 ? 27.483 16.988 10.618 1.00 39.93 ? 426 VAL A CA 1 ATOM 660 C C . VAL A 1 85 ? 26.600 18.135 11.129 1.00 39.51 ? 426 VAL A C 1 ATOM 661 O O . VAL A 1 85 ? 26.284 18.179 12.316 1.00 38.01 ? 426 VAL A O 1 ATOM 662 C CB . VAL A 1 85 ? 28.967 17.259 11.052 1.00 38.21 ? 426 VAL A CB 1 ATOM 663 C CG1 . VAL A 1 85 ? 29.129 17.024 12.548 1.00 38.96 ? 426 VAL A CG1 1 ATOM 664 C CG2 . VAL A 1 85 ? 29.906 16.362 10.269 1.00 40.68 ? 426 VAL A CG2 1 ATOM 665 N N . LEU A 1 86 ? 26.213 19.061 10.251 1.00 40.72 ? 427 LEU A N 1 ATOM 666 C CA . LEU A 1 86 ? 25.378 20.209 10.650 1.00 43.05 ? 427 LEU A CA 1 ATOM 667 C C . LEU A 1 86 ? 23.961 20.188 10.077 1.00 44.03 ? 427 LEU A C 1 ATOM 668 O O . LEU A 1 86 ? 23.129 21.011 10.457 1.00 46.08 ? 427 LEU A O 1 ATOM 669 C CB . LEU A 1 86 ? 26.019 21.536 10.225 1.00 41.57 ? 427 LEU A CB 1 ATOM 670 C CG . LEU A 1 86 ? 27.401 21.927 10.762 1.00 42.04 ? 427 LEU A CG 1 ATOM 671 C CD1 . LEU A 1 86 ? 27.885 23.143 9.995 1.00 41.48 ? 427 LEU A CD1 1 ATOM 672 C CD2 . LEU A 1 86 ? 27.356 22.220 12.260 1.00 39.11 ? 427 LEU A CD2 1 ATOM 673 N N . ARG A 1 87 ? 23.699 19.262 9.163 1.00 43.90 ? 428 ARG A N 1 ATOM 674 C CA . ARG A 1 87 ? 22.397 19.121 8.514 1.00 42.27 ? 428 ARG A CA 1 ATOM 675 C C . ARG A 1 87 ? 21.329 18.607 9.496 1.00 42.96 ? 428 ARG A C 1 ATOM 676 O O . ARG A 1 87 ? 21.629 17.787 10.365 1.00 42.40 ? 428 ARG A O 1 ATOM 677 C CB . ARG A 1 87 ? 22.573 18.136 7.359 1.00 43.43 ? 428 ARG A CB 1 ATOM 678 C CG . ARG A 1 87 ? 21.365 17.867 6.485 1.00 48.26 ? 428 ARG A CG 1 ATOM 679 C CD . ARG A 1 87 ? 21.456 16.455 5.899 1.00 50.66 ? 428 ARG A CD 1 ATOM 680 N NE . ARG A 1 87 ? 22.660 16.226 5.104 1.00 51.51 ? 428 ARG A NE 1 ATOM 681 C CZ . ARG A 1 87 ? 23.123 15.017 4.790 1.00 50.64 ? 428 ARG A CZ 1 ATOM 682 N NH1 . ARG A 1 87 ? 22.489 13.929 5.211 1.00 49.32 ? 428 ARG A NH1 1 ATOM 683 N NH2 . ARG A 1 87 ? 24.211 14.892 4.040 1.00 51.48 ? 428 ARG A NH2 1 ATOM 684 N N . PRO A 1 88 ? 20.072 19.092 9.392 1.00 44.01 ? 429 PRO A N 1 ATOM 685 C CA . PRO A 1 88 ? 19.147 18.518 10.378 1.00 43.38 ? 429 PRO A CA 1 ATOM 686 C C . PRO A 1 88 ? 18.857 17.063 9.991 1.00 44.74 ? 429 PRO A C 1 ATOM 687 O O . PRO A 1 88 ? 19.288 16.615 8.923 1.00 44.31 ? 429 PRO A O 1 ATOM 688 C CB . PRO A 1 88 ? 17.923 19.434 10.312 1.00 40.47 ? 429 PRO A CB 1 ATOM 689 C CG . PRO A 1 88 ? 17.979 20.083 8.963 1.00 41.08 ? 429 PRO A CG 1 ATOM 690 C CD . PRO A 1 88 ? 19.376 19.922 8.389 1.00 42.58 ? 429 PRO A CD 1 ATOM 691 N N . THR A 1 89 ? 18.166 16.320 10.853 1.00 44.27 ? 430 THR A N 1 ATOM 692 C CA . THR A 1 89 ? 17.866 14.922 10.558 1.00 44.28 ? 430 THR A CA 1 ATOM 693 C C . THR A 1 89 ? 16.456 14.765 10.006 1.00 44.56 ? 430 THR A C 1 ATOM 694 O O . THR A 1 89 ? 15.533 15.451 10.444 1.00 44.39 ? 430 THR A O 1 ATOM 695 C CB . THR A 1 89 ? 18.030 14.049 11.819 1.00 44.24 ? 430 THR A CB 1 ATOM 696 O OG1 . THR A 1 89 ? 17.140 14.515 12.837 1.00 44.55 ? 430 THR A OG1 1 ATOM 697 C CG2 . THR A 1 89 ? 19.455 14.127 12.338 1.00 42.07 ? 430 THR A CG2 1 ATOM 698 N N . GLU A 1 90 ? 16.289 13.848 9.056 1.00 44.18 ? 431 GLU A N 1 ATOM 699 C CA . GLU A 1 90 ? 14.987 13.647 8.439 1.00 44.50 ? 431 GLU A CA 1 ATOM 700 C C . GLU A 1 90 ? 14.046 12.652 9.100 1.00 42.77 ? 431 GLU A C 1 ATOM 701 O O . GLU A 1 90 ? 12.826 12.808 9.021 1.00 44.87 ? 431 GLU A O 1 ATOM 702 C CB . GLU A 1 90 ? 15.171 13.289 6.967 1.00 49.04 ? 431 GLU A CB 1 ATOM 703 C CG . GLU A 1 90 ? 14.884 14.471 6.055 1.00 54.41 ? 431 GLU A CG 1 ATOM 704 C CD . GLU A 1 90 ? 15.818 14.558 4.873 1.00 57.85 ? 431 GLU A CD 1 ATOM 705 O OE1 . GLU A 1 90 ? 15.955 13.554 4.142 1.00 59.86 ? 431 GLU A OE1 1 ATOM 706 O OE2 . GLU A 1 90 ? 16.406 15.640 4.675 1.00 59.10 ? 431 GLU A OE2 1 ATOM 707 N N . GLY A 1 91 ? 14.599 11.644 9.767 1.00 39.26 ? 432 GLY A N 1 ATOM 708 C CA . GLY A 1 91 ? 13.759 10.647 10.411 1.00 35.95 ? 432 GLY A CA 1 ATOM 709 C C . GLY A 1 91 ? 13.483 9.532 9.419 1.00 34.71 ? 432 GLY A C 1 ATOM 710 O O . GLY A 1 91 ? 13.612 9.737 8.213 1.00 38.84 ? 432 GLY A O 1 ATOM 711 N N . TYR A 1 92 ? 13.111 8.352 9.893 1.00 29.31 ? 433 TYR A N 1 ATOM 712 C CA . TYR A 1 92 ? 12.847 7.272 8.963 1.00 23.66 ? 433 TYR A CA 1 ATOM 713 C C . TYR A 1 92 ? 11.382 6.888 8.955 1.00 22.58 ? 433 TYR A C 1 ATOM 714 O O . TYR A 1 92 ? 10.640 7.236 9.875 1.00 22.94 ? 433 TYR A O 1 ATOM 715 C CB . TYR A 1 92 ? 13.743 6.071 9.282 1.00 23.50 ? 433 TYR A CB 1 ATOM 716 C CG . TYR A 1 92 ? 13.701 5.537 10.699 1.00 17.97 ? 433 TYR A CG 1 ATOM 717 C CD1 . TYR A 1 92 ? 12.720 4.633 11.100 1.00 17.34 ? 433 TYR A CD1 1 ATOM 718 C CD2 . TYR A 1 92 ? 14.669 5.912 11.631 1.00 16.68 ? 433 TYR A CD2 1 ATOM 719 C CE1 . TYR A 1 92 ? 12.709 4.104 12.383 1.00 16.83 ? 433 TYR A CE1 1 ATOM 720 C CE2 . TYR A 1 92 ? 14.667 5.378 12.933 1.00 16.16 ? 433 TYR A CE2 1 ATOM 721 C CZ . TYR A 1 92 ? 13.675 4.478 13.295 1.00 16.10 ? 433 TYR A CZ 1 ATOM 722 O OH . TYR A 1 92 ? 13.642 3.938 14.561 1.00 18.45 ? 433 TYR A OH 1 ATOM 723 N N . LEU A 1 93 ? 10.956 6.197 7.905 1.00 19.38 ? 434 LEU A N 1 ATOM 724 C CA . LEU A 1 93 ? 9.565 5.788 7.790 1.00 19.26 ? 434 LEU A CA 1 ATOM 725 C C . LEU A 1 93 ? 9.408 4.389 8.352 1.00 20.25 ? 434 LEU A C 1 ATOM 726 O O . LEU A 1 93 ? 10.192 3.493 8.038 1.00 23.74 ? 434 LEU A O 1 ATOM 727 C CB . LEU A 1 93 ? 9.118 5.787 6.317 1.00 19.13 ? 434 LEU A CB 1 ATOM 728 C CG . LEU A 1 93 ? 9.388 7.039 5.471 1.00 18.56 ? 434 LEU A CG 1 ATOM 729 C CD1 . LEU A 1 93 ? 8.925 6.850 4.032 1.00 13.70 ? 434 LEU A CD1 1 ATOM 730 C CD2 . LEU A 1 93 ? 8.669 8.217 6.082 1.00 19.44 ? 434 LEU A CD2 1 ATOM 731 N N . ALA A 1 94 ? 8.395 4.205 9.186 1.00 19.70 ? 435 ALA A N 1 ATOM 732 C CA . ALA A 1 94 ? 8.104 2.906 9.766 1.00 19.57 ? 435 ALA A CA 1 ATOM 733 C C . ALA A 1 94 ? 7.016 2.310 8.890 1.00 21.08 ? 435 ALA A C 1 ATOM 734 O O . ALA A 1 94 ? 5.980 2.936 8.679 1.00 26.72 ? 435 ALA A O 1 ATOM 735 C CB . ALA A 1 94 ? 7.618 3.073 11.179 1.00 17.14 ? 435 ALA A CB 1 ATOM 736 N N . VAL A 1 95 ? 7.254 1.112 8.369 1.00 19.20 ? 436 VAL A N 1 ATOM 737 C CA . VAL A 1 95 ? 6.296 0.464 7.482 1.00 16.17 ? 436 VAL A CA 1 ATOM 738 C C . VAL A 1 95 ? 5.963 -0.956 7.904 1.00 18.81 ? 436 VAL A C 1 ATOM 739 O O . VAL A 1 95 ? 6.668 -1.546 8.712 1.00 22.28 ? 436 VAL A O 1 ATOM 740 C CB . VAL A 1 95 ? 6.856 0.401 6.041 1.00 12.50 ? 436 VAL A CB 1 ATOM 741 C CG1 . VAL A 1 95 ? 7.062 1.792 5.499 1.00 14.27 ? 436 VAL A CG1 1 ATOM 742 C CG2 . VAL A 1 95 ? 8.173 -0.341 6.034 1.00 10.42 ? 436 VAL A CG2 1 ATOM 743 N N . ALA A 1 96 ? 4.867 -1.483 7.371 1.00 17.94 ? 437 ALA A N 1 ATOM 744 C CA . ALA A 1 96 ? 4.471 -2.856 7.623 1.00 19.33 ? 437 ALA A CA 1 ATOM 745 C C . ALA A 1 96 ? 4.694 -3.492 6.264 1.00 20.22 ? 437 ALA A C 1 ATOM 746 O O . ALA A 1 96 ? 4.168 -3.013 5.264 1.00 20.18 ? 437 ALA A O 1 ATOM 747 C CB . ALA A 1 96 ? 3.016 -2.925 8.016 1.00 18.75 ? 437 ALA A CB 1 ATOM 748 N N . VAL A 1 97 ? 5.479 -4.559 6.220 1.00 21.15 ? 438 VAL A N 1 ATOM 749 C CA . VAL A 1 97 ? 5.770 -5.199 4.945 1.00 22.46 ? 438 VAL A CA 1 ATOM 750 C C . VAL A 1 97 ? 5.197 -6.608 4.857 1.00 25.07 ? 438 VAL A C 1 ATOM 751 O O . VAL A 1 97 ? 5.171 -7.338 5.850 1.00 22.88 ? 438 VAL A O 1 ATOM 752 C CB . VAL A 1 97 ? 7.300 -5.279 4.711 1.00 23.36 ? 438 VAL A CB 1 ATOM 753 C CG1 . VAL A 1 97 ? 7.595 -5.621 3.258 1.00 19.68 ? 438 VAL A CG1 1 ATOM 754 C CG2 . VAL A 1 97 ? 7.965 -3.959 5.095 1.00 21.93 ? 438 VAL A CG2 1 ATOM 755 N N . VAL A 1 98 ? 4.729 -6.990 3.673 1.00 25.92 ? 439 VAL A N 1 ATOM 756 C CA . VAL A 1 98 ? 4.173 -8.334 3.492 1.00 24.40 ? 439 VAL A CA 1 ATOM 757 C C . VAL A 1 98 ? 4.659 -8.898 2.174 1.00 24.39 ? 439 VAL A C 1 ATOM 758 O O . VAL A 1 98 ? 5.290 -8.181 1.395 1.00 23.44 ? 439 VAL A O 1 ATOM 759 C CB . VAL A 1 98 ? 2.607 -8.350 3.469 1.00 22.17 ? 439 VAL A CB 1 ATOM 760 C CG1 . VAL A 1 98 ? 2.056 -7.798 4.784 1.00 21.10 ? 439 VAL A CG1 1 ATOM 761 C CG2 . VAL A 1 98 ? 2.085 -7.548 2.280 1.00 17.84 ? 439 VAL A CG2 1 ATOM 762 N N . LYS A 1 99 ? 4.371 -10.178 1.936 1.00 24.47 ? 440 LYS A N 1 ATOM 763 C CA . LYS A 1 99 ? 4.774 -10.853 0.703 1.00 27.44 ? 440 LYS A CA 1 ATOM 764 C C . LYS A 1 99 ? 3.679 -10.563 -0.330 1.00 28.36 ? 440 LYS A C 1 ATOM 765 O O . LYS A 1 99 ? 2.492 -10.644 -0.018 1.00 29.15 ? 440 LYS A O 1 ATOM 766 C CB . LYS A 1 99 ? 4.879 -12.371 0.942 1.00 28.47 ? 440 LYS A CB 1 ATOM 767 C CG . LYS A 1 99 ? 6.167 -13.048 0.438 1.00 25.98 ? 440 LYS A CG 1 ATOM 768 C CD . LYS A 1 99 ? 7.346 -12.733 1.355 1.00 25.82 ? 440 LYS A CD 1 ATOM 769 C CE . LYS A 1 99 ? 8.578 -13.564 1.027 1.00 30.17 ? 440 LYS A CE 1 ATOM 770 N NZ . LYS A 1 99 ? 8.504 -14.969 1.536 1.00 25.55 ? 440 LYS A NZ 1 ATOM 771 N N . LYS A 1 100 ? 4.061 -10.210 -1.551 1.00 31.36 ? 441 LYS A N 1 ATOM 772 C CA . LYS A 1 100 ? 3.058 -9.931 -2.579 1.00 33.21 ? 441 LYS A CA 1 ATOM 773 C C . LYS A 1 100 ? 2.170 -11.158 -2.759 1.00 32.43 ? 441 LYS A C 1 ATOM 774 O O . LYS A 1 100 ? 0.945 -11.049 -2.811 1.00 32.65 ? 441 LYS A O 1 ATOM 775 C CB . LYS A 1 100 ? 3.725 -9.598 -3.916 1.00 34.92 ? 441 LYS A CB 1 ATOM 776 C CG . LYS A 1 100 ? 2.743 -9.342 -5.058 1.00 37.82 ? 441 LYS A CG 1 ATOM 777 C CD . LYS A 1 100 ? 3.261 -9.978 -6.337 1.00 40.13 ? 441 LYS A CD 1 ATOM 778 C CE . LYS A 1 100 ? 3.125 -9.052 -7.533 1.00 42.96 ? 441 LYS A CE 1 ATOM 779 N NZ . LYS A 1 100 ? 4.295 -9.194 -8.445 1.00 44.04 ? 441 LYS A NZ 1 ATOM 780 N N . ALA A 1 101 ? 2.814 -12.321 -2.834 1.00 31.81 ? 442 ALA A N 1 ATOM 781 C CA . ALA A 1 101 ? 2.146 -13.607 -3.025 1.00 31.97 ? 442 ALA A CA 1 ATOM 782 C C . ALA A 1 101 ? 1.069 -13.923 -1.989 1.00 31.10 ? 442 ALA A C 1 ATOM 783 O O . ALA A 1 101 ? 0.286 -14.855 -2.168 1.00 33.40 ? 442 ALA A O 1 ATOM 784 C CB . ALA A 1 101 ? 3.185 -14.725 -3.053 1.00 29.29 ? 442 ALA A CB 1 ATOM 785 N N . ASN A 1 102 ? 1.041 -13.152 -0.904 1.00 32.27 ? 443 ASN A N 1 ATOM 786 C CA . ASN A 1 102 ? 0.054 -13.323 0.176 1.00 33.14 ? 443 ASN A CA 1 ATOM 787 C C . ASN A 1 102 ? -1.086 -12.373 -0.163 1.00 33.72 ? 443 ASN A C 1 ATOM 788 O O . ASN A 1 102 ? -1.390 -11.455 0.597 1.00 33.03 ? 443 ASN A O 1 ATOM 789 C CB . ASN A 1 102 ? 0.661 -12.914 1.520 1.00 35.71 ? 443 ASN A CB 1 ATOM 790 C CG . ASN A 1 102 ? 0.052 -13.657 2.714 1.00 35.71 ? 443 ASN A CG 1 ATOM 791 O OD1 . ASN A 1 102 ? -1.148 -13.933 2.768 1.00 39.63 ? 443 ASN A OD1 1 ATOM 792 N ND2 . ASN A 1 102 ? 0.891 -13.955 3.694 1.00 38.27 ? 443 ASN A ND2 1 ATOM 793 N N . GLU A 1 103 ? -1.700 -12.600 -1.319 1.00 33.80 ? 444 GLU A N 1 ATOM 794 C CA . GLU A 1 103 ? -2.778 -11.747 -1.795 1.00 35.69 ? 444 GLU A CA 1 ATOM 795 C C . GLU A 1 103 ? -3.881 -11.632 -0.771 1.00 35.86 ? 444 GLU A C 1 ATOM 796 O O . GLU A 1 103 ? -4.216 -12.602 -0.106 1.00 38.36 ? 444 GLU A O 1 ATOM 797 C CB . GLU A 1 103 ? -3.374 -12.297 -3.079 1.00 36.92 ? 444 GLU A CB 1 ATOM 798 C CG . GLU A 1 103 ? -2.373 -13.043 -3.906 1.00 37.99 ? 444 GLU A CG 1 ATOM 799 C CD . GLU A 1 103 ? -2.929 -13.474 -5.222 1.00 40.63 ? 444 GLU A CD 1 ATOM 800 O OE1 . GLU A 1 103 ? -2.152 -14.071 -5.977 1.00 45.89 ? 444 GLU A OE1 1 ATOM 801 O OE2 . GLU A 1 103 ? -4.119 -13.215 -5.490 1.00 40.13 ? 444 GLU A OE2 1 ATOM 802 N N . GLY A 1 104 ? -4.434 -10.434 -0.640 1.00 37.01 ? 445 GLY A N 1 ATOM 803 C CA . GLY A 1 104 ? -5.529 -10.217 0.291 1.00 41.17 ? 445 GLY A CA 1 ATOM 804 C C . GLY A 1 104 ? -5.217 -9.903 1.749 1.00 42.90 ? 445 GLY A C 1 ATOM 805 O O . GLY A 1 104 ? -6.121 -9.812 2.583 1.00 44.17 ? 445 GLY A O 1 ATOM 806 N N . LEU A 1 105 ? -3.941 -9.732 2.069 1.00 42.36 ? 446 LEU A N 1 ATOM 807 C CA . LEU A 1 105 ? -3.549 -9.405 3.430 1.00 40.64 ? 446 LEU A CA 1 ATOM 808 C C . LEU A 1 105 ? -3.448 -7.891 3.537 1.00 40.97 ? 446 LEU A C 1 ATOM 809 O O . LEU A 1 105 ? -2.577 -7.263 2.923 1.00 41.27 ? 446 LEU A O 1 ATOM 810 C CB . LEU A 1 105 ? -2.209 -10.066 3.770 1.00 41.60 ? 446 LEU A CB 1 ATOM 811 C CG . LEU A 1 105 ? -1.658 -9.920 5.187 1.00 41.18 ? 446 LEU A CG 1 ATOM 812 C CD1 . LEU A 1 105 ? -2.726 -10.307 6.187 1.00 44.10 ? 446 LEU A CD1 1 ATOM 813 C CD2 . LEU A 1 105 ? -0.416 -10.795 5.359 1.00 40.48 ? 446 LEU A CD2 1 ATOM 814 N N . THR A 1 106 ? -4.365 -7.305 4.297 1.00 38.65 ? 447 THR A N 1 ATOM 815 C CA . THR A 1 106 ? -4.377 -5.863 4.471 1.00 37.26 ? 447 THR A CA 1 ATOM 816 C C . THR A 1 106 ? -4.204 -5.508 5.931 1.00 36.73 ? 447 THR A C 1 ATOM 817 O O . THR A 1 106 ? -4.192 -6.375 6.804 1.00 38.13 ? 447 THR A O 1 ATOM 818 C CB . THR A 1 106 ? -5.703 -5.243 4.007 1.00 34.38 ? 447 THR A CB 1 ATOM 819 O OG1 . THR A 1 106 ? -6.721 -5.514 4.981 1.00 35.71 ? 447 THR A OG1 1 ATOM 820 C CG2 . THR A 1 106 ? -6.107 -5.816 2.672 1.00 32.80 ? 447 THR A CG2 1 ATOM 821 N N . TRP A 1 107 ? -4.085 -4.212 6.186 1.00 36.43 ? 448 TRP A N 1 ATOM 822 C CA . TRP A 1 107 ? -3.935 -3.727 7.545 1.00 35.69 ? 448 TRP A CA 1 ATOM 823 C C . TRP A 1 107 ? -5.124 -4.160 8.378 1.00 37.74 ? 448 TRP A C 1 ATOM 824 O O . TRP A 1 107 ? -5.005 -4.396 9.575 1.00 38.94 ? 448 TRP A O 1 ATOM 825 C CB . TRP A 1 107 ? -3.854 -2.200 7.576 1.00 34.65 ? 448 TRP A CB 1 ATOM 826 C CG . TRP A 1 107 ? -3.807 -1.683 8.974 1.00 34.08 ? 448 TRP A CG 1 ATOM 827 C CD1 . TRP A 1 107 ? -4.859 -1.246 9.734 1.00 34.33 ? 448 TRP A CD1 1 ATOM 828 C CD2 . TRP A 1 107 ? -2.660 -1.662 9.822 1.00 33.51 ? 448 TRP A CD2 1 ATOM 829 N NE1 . TRP A 1 107 ? -4.432 -0.956 11.010 1.00 31.29 ? 448 TRP A NE1 1 ATOM 830 C CE2 . TRP A 1 107 ? -3.084 -1.199 11.090 1.00 33.77 ? 448 TRP A CE2 1 ATOM 831 C CE3 . TRP A 1 107 ? -1.308 -1.988 9.638 1.00 31.72 ? 448 TRP A CE3 1 ATOM 832 C CZ2 . TRP A 1 107 ? -2.204 -1.065 12.171 1.00 33.91 ? 448 TRP A CZ2 1 ATOM 833 C CZ3 . TRP A 1 107 ? -0.435 -1.854 10.712 1.00 32.94 ? 448 TRP A CZ3 1 ATOM 834 C CH2 . TRP A 1 107 ? -0.887 -1.391 11.960 1.00 33.26 ? 448 TRP A CH2 1 ATOM 835 N N . ASN A 1 108 ? -6.274 -4.274 7.729 1.00 39.68 ? 449 ASN A N 1 ATOM 836 C CA . ASN A 1 108 ? -7.491 -4.633 8.420 1.00 39.82 ? 449 ASN A CA 1 ATOM 837 C C . ASN A 1 108 ? -7.770 -6.107 8.655 1.00 40.77 ? 449 ASN A C 1 ATOM 838 O O . ASN A 1 108 ? -8.867 -6.469 9.080 1.00 43.57 ? 449 ASN A O 1 ATOM 839 C CB . ASN A 1 108 ? -8.664 -3.975 7.712 1.00 41.91 ? 449 ASN A CB 1 ATOM 840 C CG . ASN A 1 108 ? -8.636 -2.471 7.864 1.00 44.96 ? 449 ASN A CG 1 ATOM 841 O OD1 . ASN A 1 108 ? -8.700 -1.954 8.981 1.00 44.48 ? 449 ASN A OD1 1 ATOM 842 N ND2 . ASN A 1 108 ? -8.516 -1.759 6.750 1.00 46.16 ? 449 ASN A ND2 1 ATOM 843 N N . SER A 1 109 ? -6.794 -6.965 8.398 1.00 38.93 ? 450 SER A N 1 ATOM 844 C CA . SER A 1 109 ? -6.991 -8.384 8.639 1.00 37.22 ? 450 SER A CA 1 ATOM 845 C C . SER A 1 109 ? -5.684 -8.969 9.163 1.00 37.60 ? 450 SER A C 1 ATOM 846 O O . SER A 1 109 ? -5.291 -10.092 8.824 1.00 39.30 ? 450 SER A O 1 ATOM 847 C CB . SER A 1 109 ? -7.431 -9.097 7.355 1.00 37.52 ? 450 SER A CB 1 ATOM 848 O OG . SER A 1 109 ? -6.430 -9.054 6.353 1.00 35.24 ? 450 SER A OG 1 ATOM 849 N N . LEU A 1 110 ? -5.005 -8.188 9.993 1.00 34.95 ? 451 LEU A N 1 ATOM 850 C CA . LEU A 1 110 ? -3.761 -8.644 10.576 1.00 31.20 ? 451 LEU A CA 1 ATOM 851 C C . LEU A 1 110 ? -4.089 -9.526 11.770 1.00 30.20 ? 451 LEU A C 1 ATOM 852 O O . LEU A 1 110 ? -3.276 -10.355 12.188 1.00 30.34 ? 451 LEU A O 1 ATOM 853 C CB . LEU A 1 110 ? -2.896 -7.449 10.991 1.00 26.60 ? 451 LEU A CB 1 ATOM 854 C CG . LEU A 1 110 ? -2.115 -6.839 9.813 1.00 25.94 ? 451 LEU A CG 1 ATOM 855 C CD1 . LEU A 1 110 ? -1.228 -5.696 10.289 1.00 21.79 ? 451 LEU A CD1 1 ATOM 856 C CD2 . LEU A 1 110 ? -1.258 -7.928 9.178 1.00 22.56 ? 451 LEU A CD2 1 ATOM 857 N N . LYS A 1 111 ? -5.299 -9.373 12.296 1.00 27.89 ? 452 LYS A N 1 ATOM 858 C CA . LYS A 1 111 ? -5.694 -10.157 13.449 1.00 32.24 ? 452 LYS A CA 1 ATOM 859 C C . LYS A 1 111 ? -5.495 -11.652 13.221 1.00 31.47 ? 452 LYS A C 1 ATOM 860 O O . LYS A 1 111 ? -5.977 -12.216 12.237 1.00 31.59 ? 452 LYS A O 1 ATOM 861 C CB . LYS A 1 111 ? -7.155 -9.876 13.839 1.00 34.36 ? 452 LYS A CB 1 ATOM 862 C CG . LYS A 1 111 ? -7.366 -9.914 15.346 1.00 34.53 ? 452 LYS A CG 1 ATOM 863 C CD . LYS A 1 111 ? -8.691 -10.518 15.752 1.00 42.51 ? 452 LYS A CD 1 ATOM 864 C CE . LYS A 1 111 ? -8.623 -10.946 17.209 1.00 48.17 ? 452 LYS A CE 1 ATOM 865 N NZ . LYS A 1 111 ? -7.555 -11.968 17.422 1.00 49.27 ? 452 LYS A NZ 1 ATOM 866 N N . ASP A 1 112 ? -4.772 -12.275 14.147 1.00 29.44 ? 453 ASP A N 1 ATOM 867 C CA . ASP A 1 112 ? -4.470 -13.696 14.125 1.00 29.10 ? 453 ASP A CA 1 ATOM 868 C C . ASP A 1 112 ? -3.443 -14.129 13.106 1.00 30.99 ? 453 ASP A C 1 ATOM 869 O O . ASP A 1 112 ? -3.271 -15.332 12.885 1.00 31.65 ? 453 ASP A O 1 ATOM 870 C CB . ASP A 1 112 ? -5.735 -14.515 13.925 1.00 33.15 ? 453 ASP A CB 1 ATOM 871 C CG . ASP A 1 112 ? -6.631 -14.501 15.132 1.00 39.32 ? 453 ASP A CG 1 ATOM 872 O OD1 . ASP A 1 112 ? -7.742 -15.066 15.042 1.00 41.93 ? 453 ASP A OD1 1 ATOM 873 O OD2 . ASP A 1 112 ? -6.239 -13.927 16.166 1.00 45.14 ? 453 ASP A OD2 1 ATOM 874 N N . LYS A 1 113 ? -2.763 -13.177 12.477 1.00 29.75 ? 454 LYS A N 1 ATOM 875 C CA . LYS A 1 113 ? -1.722 -13.538 11.523 1.00 27.15 ? 454 LYS A CA 1 ATOM 876 C C . LYS A 1 113 ? -0.401 -13.687 12.286 1.00 25.19 ? 454 LYS A C 1 ATOM 877 O O . LYS A 1 113 ? -0.376 -13.607 13.510 1.00 22.38 ? 454 LYS A O 1 ATOM 878 C CB . LYS A 1 113 ? -1.621 -12.484 10.418 1.00 29.67 ? 454 LYS A CB 1 ATOM 879 C CG . LYS A 1 113 ? -2.850 -12.462 9.523 1.00 33.06 ? 454 LYS A CG 1 ATOM 880 C CD . LYS A 1 113 ? -3.159 -13.879 9.015 1.00 37.49 ? 454 LYS A CD 1 ATOM 881 C CE . LYS A 1 113 ? -4.491 -13.925 8.278 1.00 38.78 ? 454 LYS A CE 1 ATOM 882 N NZ . LYS A 1 113 ? -5.573 -13.319 9.101 1.00 40.60 ? 454 LYS A NZ 1 ATOM 883 N N . LYS A 1 114 ? 0.691 -13.934 11.582 1.00 24.10 ? 455 LYS A N 1 ATOM 884 C CA . LYS A 1 114 ? 1.963 -14.095 12.270 1.00 25.41 ? 455 LYS A CA 1 ATOM 885 C C . LYS A 1 114 ? 2.826 -12.853 12.056 1.00 25.10 ? 455 LYS A C 1 ATOM 886 O O . LYS A 1 114 ? 2.902 -12.328 10.946 1.00 25.12 ? 455 LYS A O 1 ATOM 887 C CB . LYS A 1 114 ? 2.677 -15.359 11.774 1.00 27.83 ? 455 LYS A CB 1 ATOM 888 C CG . LYS A 1 114 ? 1.869 -16.641 12.000 1.00 27.86 ? 455 LYS A CG 1 ATOM 889 C CD . LYS A 1 114 ? 2.691 -17.887 11.674 1.00 31.65 ? 455 LYS A CD 1 ATOM 890 C CE . LYS A 1 114 ? 2.269 -18.517 10.362 1.00 34.11 ? 455 LYS A CE 1 ATOM 891 N NZ . LYS A 1 114 ? 3.413 -19.220 9.716 1.00 34.72 ? 455 LYS A NZ 1 ATOM 892 N N . SER A 1 115 ? 3.481 -12.377 13.112 1.00 23.75 ? 456 SER A N 1 ATOM 893 C CA . SER A 1 115 ? 4.280 -11.171 12.978 1.00 20.45 ? 456 SER A CA 1 ATOM 894 C C . SER A 1 115 ? 5.747 -11.252 13.328 1.00 21.08 ? 456 SER A C 1 ATOM 895 O O . SER A 1 115 ? 6.184 -12.086 14.131 1.00 22.96 ? 456 SER A O 1 ATOM 896 C CB . SER A 1 115 ? 3.650 -10.038 13.783 1.00 22.34 ? 456 SER A CB 1 ATOM 897 O OG . SER A 1 115 ? 3.591 -10.342 15.160 1.00 18.50 ? 456 SER A OG 1 ATOM 898 N N . CYS A 1 116 ? 6.499 -10.346 12.714 1.00 20.89 ? 457 CYS A N 1 ATOM 899 C CA . CYS A 1 116 ? 7.933 -10.238 12.915 1.00 20.97 ? 457 CYS A CA 1 ATOM 900 C C . CYS A 1 116 ? 8.227 -8.827 13.403 1.00 20.97 ? 457 CYS A C 1 ATOM 901 O O . CYS A 1 116 ? 7.915 -7.851 12.715 1.00 25.84 ? 457 CYS A O 1 ATOM 902 C CB . CYS A 1 116 ? 8.657 -10.462 11.604 1.00 19.60 ? 457 CYS A CB 1 ATOM 903 S SG . CYS A 1 116 ? 8.311 -12.025 10.758 1.00 22.99 ? 457 CYS A SG 1 ATOM 904 N N . HIS A 1 117 ? 8.829 -8.720 14.582 1.00 19.74 ? 458 HIS A N 1 ATOM 905 C CA . HIS A 1 117 ? 9.161 -7.423 15.162 1.00 16.78 ? 458 HIS A CA 1 ATOM 906 C C . HIS A 1 117 ? 10.653 -7.302 15.420 1.00 17.90 ? 458 HIS A C 1 ATOM 907 O O . HIS A 1 117 ? 11.312 -8.278 15.794 1.00 17.46 ? 458 HIS A O 1 ATOM 908 C CB . HIS A 1 117 ? 8.419 -7.231 16.477 1.00 12.99 ? 458 HIS A CB 1 ATOM 909 C CG . HIS A 1 117 ? 6.951 -7.480 16.382 1.00 17.69 ? 458 HIS A CG 1 ATOM 910 N ND1 . HIS A 1 117 ? 6.020 -6.468 16.421 1.00 19.33 ? 458 HIS A ND1 1 ATOM 911 C CD2 . HIS A 1 117 ? 6.250 -8.633 16.255 1.00 20.33 ? 458 HIS A CD2 1 ATOM 912 C CE1 . HIS A 1 117 ? 4.806 -6.985 16.325 1.00 22.34 ? 458 HIS A CE1 1 ATOM 913 N NE2 . HIS A 1 117 ? 4.920 -8.297 16.223 1.00 22.47 ? 458 HIS A NE2 1 ATOM 914 N N . THR A 1 118 ? 11.181 -6.100 15.225 1.00 17.36 ? 459 THR A N 1 ATOM 915 C CA . THR A 1 118 ? 12.597 -5.857 15.458 1.00 18.78 ? 459 THR A CA 1 ATOM 916 C C . THR A 1 118 ? 12.957 -6.223 16.894 1.00 17.53 ? 459 THR A C 1 ATOM 917 O O . THR A 1 118 ? 13.978 -6.859 17.144 1.00 14.23 ? 459 THR A O 1 ATOM 918 C CB . THR A 1 118 ? 12.965 -4.373 15.239 1.00 20.93 ? 459 THR A CB 1 ATOM 919 O OG1 . THR A 1 118 ? 12.178 -3.550 16.110 1.00 21.75 ? 459 THR A OG1 1 ATOM 920 C CG2 . THR A 1 118 ? 12.703 -3.958 13.807 1.00 22.16 ? 459 THR A CG2 1 ATOM 921 N N . ALA A 1 119 ? 12.107 -5.807 17.827 1.00 17.43 ? 460 ALA A N 1 ATOM 922 C CA . ALA A 1 119 ? 12.318 -6.089 19.249 1.00 18.07 ? 460 ALA A CA 1 ATOM 923 C C . ALA A 1 119 ? 11.326 -5.292 20.082 1.00 15.51 ? 460 ALA A C 1 ATOM 924 O O . ALA A 1 119 ? 10.919 -4.200 19.683 1.00 17.25 ? 460 ALA A O 1 ATOM 925 C CB . ALA A 1 119 ? 13.758 -5.720 19.663 1.00 15.69 ? 460 ALA A CB 1 ATOM 926 N N . VAL A 1 120 ? 10.920 -5.840 21.222 1.00 14.62 ? 461 VAL A N 1 ATOM 927 C CA . VAL A 1 120 ? 9.997 -5.128 22.101 1.00 16.01 ? 461 VAL A CA 1 ATOM 928 C C . VAL A 1 120 ? 10.573 -3.762 22.528 1.00 15.74 ? 461 VAL A C 1 ATOM 929 O O . VAL A 1 120 ? 11.776 -3.611 22.724 1.00 16.73 ? 461 VAL A O 1 ATOM 930 C CB . VAL A 1 120 ? 9.678 -5.965 23.362 1.00 15.67 ? 461 VAL A CB 1 ATOM 931 C CG1 . VAL A 1 120 ? 9.066 -5.083 24.447 1.00 16.87 ? 461 VAL A CG1 1 ATOM 932 C CG2 . VAL A 1 120 ? 8.707 -7.076 23.005 1.00 13.34 ? 461 VAL A CG2 1 ATOM 933 N N . ASP A 1 121 ? 9.697 -2.772 22.650 1.00 18.57 ? 462 ASP A N 1 ATOM 934 C CA . ASP A 1 121 ? 10.072 -1.407 23.040 1.00 19.94 ? 462 ASP A CA 1 ATOM 935 C C . ASP A 1 121 ? 10.706 -0.519 21.951 1.00 19.65 ? 462 ASP A C 1 ATOM 936 O O . ASP A 1 121 ? 11.009 0.655 22.194 1.00 20.81 ? 462 ASP A O 1 ATOM 937 C CB . ASP A 1 121 ? 10.985 -1.431 24.266 1.00 20.55 ? 462 ASP A CB 1 ATOM 938 C CG . ASP A 1 121 ? 10.214 -1.611 25.555 1.00 28.11 ? 462 ASP A CG 1 ATOM 939 O OD1 . ASP A 1 121 ? 8.960 -1.649 25.497 1.00 27.40 ? 462 ASP A OD1 1 ATOM 940 O OD2 . ASP A 1 121 ? 10.851 -1.710 26.622 1.00 33.08 ? 462 ASP A OD2 1 ATOM 941 N N . ARG A 1 122 ? 10.908 -1.058 20.755 1.00 16.37 ? 463 ARG A N 1 ATOM 942 C CA . ARG A 1 122 ? 11.483 -0.251 19.689 1.00 14.82 ? 463 ARG A CA 1 ATOM 943 C C . ARG A 1 122 ? 10.410 0.487 18.878 1.00 13.82 ? 463 ARG A C 1 ATOM 944 O O . ARG A 1 122 ? 9.239 0.092 18.859 1.00 11.53 ? 463 ARG A O 1 ATOM 945 C CB . ARG A 1 122 ? 12.369 -1.120 18.801 1.00 16.22 ? 463 ARG A CB 1 ATOM 946 C CG . ARG A 1 122 ? 13.630 -1.550 19.556 1.00 18.92 ? 463 ARG A CG 1 ATOM 947 C CD . ARG A 1 122 ? 14.580 -2.399 18.742 1.00 18.72 ? 463 ARG A CD 1 ATOM 948 N NE . ARG A 1 122 ? 14.976 -1.764 17.491 1.00 26.26 ? 463 ARG A NE 1 ATOM 949 C CZ . ARG A 1 122 ? 16.097 -2.044 16.834 1.00 26.02 ? 463 ARG A CZ 1 ATOM 950 N NH1 . ARG A 1 122 ? 16.935 -2.940 17.322 1.00 25.05 ? 463 ARG A NH1 1 ATOM 951 N NH2 . ARG A 1 122 ? 16.367 -1.451 15.680 1.00 26.29 ? 463 ARG A NH2 1 ATOM 952 N N . THR A 1 123 ? 10.809 1.574 18.228 1.00 12.06 ? 464 THR A N 1 ATOM 953 C CA . THR A 1 123 ? 9.880 2.399 17.468 1.00 16.00 ? 464 THR A CA 1 ATOM 954 C C . THR A 1 123 ? 9.085 1.707 16.364 1.00 16.20 ? 464 THR A C 1 ATOM 955 O O . THR A 1 123 ? 7.872 1.481 16.489 1.00 17.90 ? 464 THR A O 1 ATOM 956 C CB . THR A 1 123 ? 10.607 3.609 16.846 1.00 16.48 ? 464 THR A CB 1 ATOM 957 O OG1 . THR A 1 123 ? 11.253 4.367 17.878 1.00 21.34 ? 464 THR A OG1 1 ATOM 958 C CG2 . THR A 1 123 ? 9.610 4.508 16.107 1.00 14.38 ? 464 THR A CG2 1 ATOM 959 N N . ALA A 1 124 ? 9.767 1.378 15.277 1.00 18.45 ? 465 ALA A N 1 ATOM 960 C CA . ALA A 1 124 ? 9.119 0.750 14.132 1.00 21.62 ? 465 ALA A CA 1 ATOM 961 C C . ALA A 1 124 ? 8.741 -0.701 14.360 1.00 21.82 ? 465 ALA A C 1 ATOM 962 O O . ALA A 1 124 ? 7.724 -1.179 13.861 1.00 24.94 ? 465 ALA A O 1 ATOM 963 C CB . ALA A 1 124 ? 10.023 0.862 12.903 1.00 21.04 ? 465 ALA A CB 1 ATOM 964 N N . GLY A 1 125 ? 9.562 -1.402 15.120 1.00 21.84 ? 466 GLY A N 1 ATOM 965 C CA . GLY A 1 125 ? 9.287 -2.797 15.364 1.00 20.30 ? 466 GLY A CA 1 ATOM 966 C C . GLY A 1 125 ? 8.204 -3.056 16.382 1.00 20.89 ? 466 GLY A C 1 ATOM 967 O O . GLY A 1 125 ? 7.613 -4.139 16.357 1.00 20.20 ? 466 GLY A O 1 ATOM 968 N N . TRP A 1 126 ? 7.940 -2.096 17.272 1.00 20.05 ? 467 TRP A N 1 ATOM 969 C CA . TRP A 1 126 ? 6.948 -2.314 18.320 1.00 18.34 ? 467 TRP A CA 1 ATOM 970 C C . TRP A 1 126 ? 5.998 -1.152 18.683 1.00 18.06 ? 467 TRP A C 1 ATOM 971 O O . TRP A 1 126 ? 4.787 -1.250 18.470 1.00 18.62 ? 467 TRP A O 1 ATOM 972 C CB . TRP A 1 126 ? 7.694 -2.790 19.575 1.00 14.20 ? 467 TRP A CB 1 ATOM 973 C CG . TRP A 1 126 ? 6.829 -3.197 20.707 1.00 14.83 ? 467 TRP A CG 1 ATOM 974 C CD1 . TRP A 1 126 ? 6.412 -2.415 21.750 1.00 17.25 ? 467 TRP A CD1 1 ATOM 975 C CD2 . TRP A 1 126 ? 6.234 -4.484 20.909 1.00 19.99 ? 467 TRP A CD2 1 ATOM 976 N NE1 . TRP A 1 126 ? 5.593 -3.135 22.592 1.00 19.91 ? 467 TRP A NE1 1 ATOM 977 C CE2 . TRP A 1 126 ? 5.464 -4.408 22.100 1.00 20.95 ? 467 TRP A CE2 1 ATOM 978 C CE3 . TRP A 1 126 ? 6.277 -5.699 20.202 1.00 17.48 ? 467 TRP A CE3 1 ATOM 979 C CZ2 . TRP A 1 126 ? 4.738 -5.503 22.598 1.00 21.59 ? 467 TRP A CZ2 1 ATOM 980 C CZ3 . TRP A 1 126 ? 5.554 -6.790 20.704 1.00 20.10 ? 467 TRP A CZ3 1 ATOM 981 C CH2 . TRP A 1 126 ? 4.795 -6.680 21.890 1.00 20.85 ? 467 TRP A CH2 1 ATOM 982 N N . ASN A 1 127 ? 6.539 -0.070 19.240 1.00 17.49 ? 468 ASN A N 1 ATOM 983 C CA . ASN A 1 127 ? 5.734 1.072 19.670 1.00 21.39 ? 468 ASN A CA 1 ATOM 984 C C . ASN A 1 127 ? 4.745 1.660 18.677 1.00 24.17 ? 468 ASN A C 1 ATOM 985 O O . ASN A 1 127 ? 3.613 1.999 19.058 1.00 24.22 ? 468 ASN A O 1 ATOM 986 C CB . ASN A 1 127 ? 6.643 2.187 20.190 1.00 26.00 ? 468 ASN A CB 1 ATOM 987 C CG . ASN A 1 127 ? 7.409 1.772 21.428 1.00 31.02 ? 468 ASN A CG 1 ATOM 988 O OD1 . ASN A 1 127 ? 6.948 0.924 22.191 1.00 31.84 ? 468 ASN A OD1 1 ATOM 989 N ND2 . ASN A 1 127 ? 8.578 2.376 21.642 1.00 31.05 ? 468 ASN A ND2 1 ATOM 990 N N . ILE A 1 128 ? 5.158 1.809 17.421 1.00 23.42 ? 469 ILE A N 1 ATOM 991 C CA . ILE A 1 128 ? 4.257 2.378 16.432 1.00 23.61 ? 469 ILE A CA 1 ATOM 992 C C . ILE A 1 128 ? 3.167 1.363 16.131 1.00 25.56 ? 469 ILE A C 1 ATOM 993 O O . ILE A 1 128 ? 1.983 1.640 16.348 1.00 24.22 ? 469 ILE A O 1 ATOM 994 C CB . ILE A 1 128 ? 5.018 2.776 15.142 1.00 25.32 ? 469 ILE A CB 1 ATOM 995 C CG1 . ILE A 1 128 ? 5.955 3.949 15.427 1.00 26.84 ? 469 ILE A CG1 1 ATOM 996 C CG2 . ILE A 1 128 ? 4.042 3.156 14.038 1.00 19.95 ? 469 ILE A CG2 1 ATOM 997 C CD1 . ILE A 1 128 ? 5.233 5.186 15.901 1.00 29.88 ? 469 ILE A CD1 1 ATOM 998 N N . PRO A 1 129 ? 3.550 0.158 15.658 1.00 25.85 ? 470 PRO A N 1 ATOM 999 C CA . PRO A 1 129 ? 2.560 -0.875 15.339 1.00 27.30 ? 470 PRO A CA 1 ATOM 1000 C C . PRO A 1 129 ? 1.591 -1.266 16.467 1.00 29.02 ? 470 PRO A C 1 ATOM 1001 O O . PRO A 1 129 ? 0.375 -1.239 16.259 1.00 29.30 ? 470 PRO A O 1 ATOM 1002 C CB . PRO A 1 129 ? 3.428 -2.057 14.853 1.00 27.86 ? 470 PRO A CB 1 ATOM 1003 C CG . PRO A 1 129 ? 4.701 -1.874 15.604 1.00 30.13 ? 470 PRO A CG 1 ATOM 1004 C CD . PRO A 1 129 ? 4.914 -0.368 15.456 1.00 28.61 ? 470 PRO A CD 1 ATOM 1005 N N . MET A 1 130 ? 2.106 -1.621 17.649 1.00 29.07 ? 471 MET A N 1 ATOM 1006 C CA . MET A 1 130 ? 1.247 -2.013 18.776 1.00 28.56 ? 471 MET A CA 1 ATOM 1007 C C . MET A 1 130 ? 0.488 -0.823 19.340 1.00 29.26 ? 471 MET A C 1 ATOM 1008 O O . MET A 1 130 ? -0.621 -0.969 19.861 1.00 28.89 ? 471 MET A O 1 ATOM 1009 C CB . MET A 1 130 ? 2.073 -2.671 19.885 1.00 27.46 ? 471 MET A CB 1 ATOM 1010 C CG . MET A 1 130 ? 2.795 -3.937 19.444 1.00 31.19 ? 471 MET A CG 1 ATOM 1011 S SD . MET A 1 130 ? 1.703 -5.250 18.869 1.00 29.04 ? 471 MET A SD 1 ATOM 1012 C CE . MET A 1 130 ? 1.430 -4.768 17.191 1.00 34.41 ? 471 MET A CE 1 ATOM 1013 N N . GLY A 1 131 ? 1.087 0.358 19.246 1.00 28.43 ? 472 GLY A N 1 ATOM 1014 C CA . GLY A 1 131 ? 0.414 1.547 19.733 1.00 27.68 ? 472 GLY A CA 1 ATOM 1015 C C . GLY A 1 131 ? -0.858 1.762 18.932 1.00 28.89 ? 472 GLY A C 1 ATOM 1016 O O . GLY A 1 131 ? -1.890 2.139 19.473 1.00 31.04 ? 472 GLY A O 1 ATOM 1017 N N . LEU A 1 132 ? -0.768 1.523 17.627 1.00 29.17 ? 473 LEU A N 1 ATOM 1018 C CA . LEU A 1 132 ? -1.902 1.672 16.719 1.00 29.60 ? 473 LEU A CA 1 ATOM 1019 C C . LEU A 1 132 ? -2.915 0.535 16.889 1.00 30.37 ? 473 LEU A C 1 ATOM 1020 O O . LEU A 1 132 ? -4.124 0.745 16.811 1.00 32.26 ? 473 LEU A O 1 ATOM 1021 C CB . LEU A 1 132 ? -1.418 1.693 15.267 1.00 27.69 ? 473 LEU A CB 1 ATOM 1022 C CG . LEU A 1 132 ? -0.600 2.864 14.730 1.00 26.93 ? 473 LEU A CG 1 ATOM 1023 C CD1 . LEU A 1 132 ? -0.061 2.506 13.360 1.00 27.49 ? 473 LEU A CD1 1 ATOM 1024 C CD2 . LEU A 1 132 ? -1.465 4.101 14.643 1.00 25.33 ? 473 LEU A CD2 1 ATOM 1025 N N . ILE A 1 133 ? -2.418 -0.674 17.113 1.00 29.24 ? 474 ILE A N 1 ATOM 1026 C CA . ILE A 1 133 ? -3.289 -1.834 17.294 1.00 29.46 ? 474 ILE A CA 1 ATOM 1027 C C . ILE A 1 133 ? -4.064 -1.725 18.605 1.00 31.36 ? 474 ILE A C 1 ATOM 1028 O O . ILE A 1 133 ? -5.247 -2.043 18.660 1.00 31.54 ? 474 ILE A O 1 ATOM 1029 C CB . ILE A 1 133 ? -2.464 -3.147 17.243 1.00 28.68 ? 474 ILE A CB 1 ATOM 1030 C CG1 . ILE A 1 133 ? -2.215 -3.506 15.771 1.00 26.24 ? 474 ILE A CG1 1 ATOM 1031 C CG2 . ILE A 1 133 ? -3.156 -4.265 18.041 1.00 23.39 ? 474 ILE A CG2 1 ATOM 1032 C CD1 . ILE A 1 133 ? -1.246 -4.637 15.541 1.00 24.64 ? 474 ILE A CD1 1 ATOM 1033 N N . VAL A 1 134 ? -3.401 -1.259 19.655 1.00 33.15 ? 475 VAL A N 1 ATOM 1034 C CA . VAL A 1 134 ? -4.065 -1.088 20.941 1.00 34.36 ? 475 VAL A CA 1 ATOM 1035 C C . VAL A 1 134 ? -5.208 -0.093 20.753 1.00 36.52 ? 475 VAL A C 1 ATOM 1036 O O . VAL A 1 134 ? -6.346 -0.321 21.161 1.00 35.17 ? 475 VAL A O 1 ATOM 1037 C CB . VAL A 1 134 ? -3.085 -0.527 22.000 1.00 33.69 ? 475 VAL A CB 1 ATOM 1038 C CG1 . VAL A 1 134 ? -3.856 0.041 23.187 1.00 31.55 ? 475 VAL A CG1 1 ATOM 1039 C CG2 . VAL A 1 134 ? -2.147 -1.633 22.455 1.00 31.83 ? 475 VAL A CG2 1 ATOM 1040 N N . ASN A 1 135 ? -4.881 1.017 20.107 1.00 39.02 ? 476 ASN A N 1 ATOM 1041 C CA . ASN A 1 135 ? -5.841 2.076 19.853 1.00 40.98 ? 476 ASN A CA 1 ATOM 1042 C C . ASN A 1 135 ? -7.094 1.725 19.100 1.00 42.18 ? 476 ASN A C 1 ATOM 1043 O O . ASN A 1 135 ? -8.198 2.093 19.517 1.00 43.19 ? 476 ASN A O 1 ATOM 1044 C CB . ASN A 1 135 ? -5.162 3.211 19.131 1.00 42.19 ? 476 ASN A CB 1 ATOM 1045 C CG . ASN A 1 135 ? -4.486 4.120 20.083 1.00 43.26 ? 476 ASN A CG 1 ATOM 1046 O OD1 . ASN A 1 135 ? -4.651 3.971 21.293 1.00 41.60 ? 476 ASN A OD1 1 ATOM 1047 N ND2 . ASN A 1 135 ? -3.737 5.080 19.576 1.00 47.34 ? 476 ASN A ND2 1 ATOM 1048 N N . GLN A 1 136 ? -6.918 1.044 17.973 1.00 43.58 ? 477 GLN A N 1 ATOM 1049 C CA . GLN A 1 136 ? -8.034 0.655 17.127 1.00 44.40 ? 477 GLN A CA 1 ATOM 1050 C C . GLN A 1 136 ? -8.767 -0.530 17.706 1.00 43.80 ? 477 GLN A C 1 ATOM 1051 O O . GLN A 1 136 ? -9.931 -0.762 17.396 1.00 45.33 ? 477 GLN A O 1 ATOM 1052 C CB . GLN A 1 136 ? -7.536 0.263 15.750 1.00 45.26 ? 477 GLN A CB 1 ATOM 1053 C CG . GLN A 1 136 ? -6.641 1.275 15.091 1.00 49.41 ? 477 GLN A CG 1 ATOM 1054 C CD . GLN A 1 136 ? -6.082 0.722 13.815 1.00 52.68 ? 477 GLN A CD 1 ATOM 1055 O OE1 . GLN A 1 136 ? -6.265 -0.459 13.518 1.00 55.16 ? 477 GLN A OE1 1 ATOM 1056 N NE2 . GLN A 1 136 ? -5.395 1.556 13.049 1.00 52.45 ? 477 GLN A NE2 1 ATOM 1057 N N . THR A 1 137 ? -8.071 -1.282 18.544 1.00 43.66 ? 478 THR A N 1 ATOM 1058 C CA . THR A 1 137 ? -8.625 -2.471 19.149 1.00 43.57 ? 478 THR A CA 1 ATOM 1059 C C . THR A 1 137 ? -9.356 -2.212 20.462 1.00 43.85 ? 478 THR A C 1 ATOM 1060 O O . THR A 1 137 ? -10.127 -3.047 20.931 1.00 43.58 ? 478 THR A O 1 ATOM 1061 C CB . THR A 1 137 ? -7.498 -3.516 19.329 1.00 42.68 ? 478 THR A CB 1 ATOM 1062 O OG1 . THR A 1 137 ? -7.637 -4.505 18.305 1.00 41.37 ? 478 THR A OG1 1 ATOM 1063 C CG2 . THR A 1 137 ? -7.529 -4.153 20.707 1.00 41.91 ? 478 THR A CG2 1 ATOM 1064 N N . GLY A 1 138 ? -9.115 -1.045 21.051 1.00 44.86 ? 479 GLY A N 1 ATOM 1065 C CA . GLY A 1 138 ? -9.753 -0.697 22.310 1.00 45.33 ? 479 GLY A CA 1 ATOM 1066 C C . GLY A 1 138 ? -9.278 -1.553 23.468 1.00 46.64 ? 479 GLY A C 1 ATOM 1067 O O . GLY A 1 138 ? -9.606 -1.299 24.628 1.00 48.69 ? 479 GLY A O 1 ATOM 1068 N N . SER A 1 139 ? -8.490 -2.571 23.152 1.00 48.12 ? 480 SER A N 1 ATOM 1069 C CA . SER A 1 139 ? -7.955 -3.461 24.166 1.00 49.59 ? 480 SER A CA 1 ATOM 1070 C C . SER A 1 139 ? -6.441 -3.337 24.335 1.00 50.71 ? 480 SER A C 1 ATOM 1071 O O . SER A 1 139 ? -5.728 -2.856 23.443 1.00 51.47 ? 480 SER A O 1 ATOM 1072 C CB . SER A 1 139 ? -8.303 -4.921 23.838 1.00 48.60 ? 480 SER A CB 1 ATOM 1073 O OG . SER A 1 139 ? -7.626 -5.803 24.720 1.00 48.56 ? 480 SER A OG 1 ATOM 1074 N N . CYS A 1 140 ? -5.973 -3.774 25.501 1.00 49.41 ? 481 CYS A N 1 ATOM 1075 C CA . CYS A 1 140 ? -4.559 -3.783 25.841 1.00 46.68 ? 481 CYS A CA 1 ATOM 1076 C C . CYS A 1 140 ? -3.998 -5.187 25.666 1.00 46.18 ? 481 CYS A C 1 ATOM 1077 O O . CYS A 1 140 ? -2.794 -5.395 25.782 1.00 45.70 ? 481 CYS A O 1 ATOM 1078 C CB . CYS A 1 140 ? -4.359 -3.403 27.302 1.00 46.80 ? 481 CYS A CB 1 ATOM 1079 S SG . CYS A 1 140 ? -4.390 -1.654 27.840 1.00 47.42 ? 481 CYS A SG 1 ATOM 1080 N N . ALA A 1 141 ? -4.881 -6.149 25.422 1.00 44.91 ? 482 ALA A N 1 ATOM 1081 C CA . ALA A 1 141 ? -4.488 -7.543 25.276 1.00 45.80 ? 482 ALA A CA 1 ATOM 1082 C C . ALA A 1 141 ? -3.711 -7.760 23.983 1.00 46.98 ? 482 ALA A C 1 ATOM 1083 O O . ALA A 1 141 ? -3.926 -8.746 23.269 1.00 47.76 ? 482 ALA A O 1 ATOM 1084 C CB . ALA A 1 141 ? -5.731 -8.439 25.297 1.00 47.94 ? 482 ALA A CB 1 ATOM 1085 N N . PHE A 1 142 ? -2.799 -6.844 23.682 1.00 44.74 ? 483 PHE A N 1 ATOM 1086 C CA . PHE A 1 142 ? -2.000 -6.936 22.468 1.00 43.95 ? 483 PHE A CA 1 ATOM 1087 C C . PHE A 1 142 ? -1.129 -8.187 22.428 1.00 45.08 ? 483 PHE A C 1 ATOM 1088 O O . PHE A 1 142 ? -0.423 -8.425 21.451 1.00 45.56 ? 483 PHE A O 1 ATOM 1089 C CB . PHE A 1 142 ? -1.130 -5.686 22.327 1.00 41.05 ? 483 PHE A CB 1 ATOM 1090 C CG . PHE A 1 142 ? -0.046 -5.564 23.376 1.00 38.15 ? 483 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 142 ? 0.066 -4.408 24.140 1.00 36.84 ? 483 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 142 ? 0.893 -6.579 23.562 1.00 36.75 ? 483 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 142 ? 1.098 -4.257 25.068 1.00 36.30 ? 483 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 142 ? 1.924 -6.445 24.481 1.00 36.78 ? 483 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 142 ? 2.033 -5.278 25.239 1.00 37.23 ? 483 PHE A CZ 1 ATOM 1096 N N . ASP A 1 143 ? -1.150 -8.976 23.495 1.00 45.75 ? 484 ASP A N 1 ATOM 1097 C CA . ASP A 1 143 ? -0.365 -10.202 23.503 1.00 47.26 ? 484 ASP A CA 1 ATOM 1098 C C . ASP A 1 143 ? -1.192 -11.295 22.829 1.00 46.80 ? 484 ASP A C 1 ATOM 1099 O O . ASP A 1 143 ? -0.680 -12.352 22.459 1.00 46.46 ? 484 ASP A O 1 ATOM 1100 C CB . ASP A 1 143 ? 0.016 -10.594 24.943 1.00 50.17 ? 484 ASP A CB 1 ATOM 1101 C CG . ASP A 1 143 ? -1.192 -10.760 25.858 1.00 54.93 ? 484 ASP A CG 1 ATOM 1102 O OD1 . ASP A 1 143 ? -2.079 -9.878 25.855 1.00 56.40 ? 484 ASP A OD1 1 ATOM 1103 O OD2 . ASP A 1 143 ? -1.242 -11.775 26.586 1.00 57.13 ? 484 ASP A OD2 1 ATOM 1104 N N . GLU A 1 144 ? -2.475 -11.002 22.642 1.00 47.06 ? 485 GLU A N 1 ATOM 1105 C CA . GLU A 1 144 ? -3.405 -11.941 22.026 1.00 46.08 ? 485 GLU A CA 1 ATOM 1106 C C . GLU A 1 144 ? -3.896 -11.541 20.626 1.00 42.71 ? 485 GLU A C 1 ATOM 1107 O O . GLU A 1 144 ? -4.851 -12.137 20.128 1.00 45.39 ? 485 GLU A O 1 ATOM 1108 C CB . GLU A 1 144 ? -4.625 -12.141 22.944 1.00 50.45 ? 485 GLU A CB 1 ATOM 1109 C CG . GLU A 1 144 ? -4.290 -12.626 24.359 1.00 57.68 ? 485 GLU A CG 1 ATOM 1110 C CD . GLU A 1 144 ? -5.520 -12.761 25.245 1.00 62.87 ? 485 GLU A CD 1 ATOM 1111 O OE1 . GLU A 1 144 ? -5.357 -12.851 26.483 1.00 66.20 ? 485 GLU A OE1 1 ATOM 1112 O OE2 . GLU A 1 144 ? -6.651 -12.782 24.707 1.00 64.80 ? 485 GLU A OE2 1 ATOM 1113 N N . PHE A 1 145 ? -3.260 -10.554 19.993 1.00 38.35 ? 486 PHE A N 1 ATOM 1114 C CA . PHE A 1 145 ? -3.663 -10.093 18.653 1.00 35.19 ? 486 PHE A CA 1 ATOM 1115 C C . PHE A 1 145 ? -3.134 -10.973 17.522 1.00 34.70 ? 486 PHE A C 1 ATOM 1116 O O . PHE A 1 145 ? -3.871 -11.336 16.604 1.00 34.62 ? 486 PHE A O 1 ATOM 1117 C CB . PHE A 1 145 ? -3.179 -8.670 18.406 1.00 33.62 ? 486 PHE A CB 1 ATOM 1118 C CG . PHE A 1 145 ? -3.716 -8.056 17.137 1.00 36.62 ? 486 PHE A CG 1 ATOM 1119 C CD1 . PHE A 1 145 ? -5.043 -7.640 17.059 1.00 36.19 ? 486 PHE A CD1 1 ATOM 1120 C CD2 . PHE A 1 145 ? -2.891 -7.873 16.029 1.00 35.84 ? 486 PHE A CD2 1 ATOM 1121 C CE1 . PHE A 1 145 ? -5.539 -7.050 15.901 1.00 36.71 ? 486 PHE A CE1 1 ATOM 1122 C CE2 . PHE A 1 145 ? -3.376 -7.287 14.870 1.00 34.25 ? 486 PHE A CE2 1 ATOM 1123 C CZ . PHE A 1 145 ? -4.703 -6.871 14.805 1.00 36.12 ? 486 PHE A CZ 1 ATOM 1124 N N . PHE A 1 146 ? -1.843 -11.280 17.561 1.00 34.53 ? 487 PHE A N 1 ATOM 1125 C CA . PHE A 1 146 ? -1.242 -12.143 16.552 1.00 32.36 ? 487 PHE A CA 1 ATOM 1126 C C . PHE A 1 146 ? -1.274 -13.544 17.145 1.00 35.17 ? 487 PHE A C 1 ATOM 1127 O O . PHE A 1 146 ? -1.239 -13.691 18.371 1.00 36.05 ? 487 PHE A O 1 ATOM 1128 C CB . PHE A 1 146 ? 0.192 -11.702 16.267 1.00 29.41 ? 487 PHE A CB 1 ATOM 1129 C CG . PHE A 1 146 ? 0.279 -10.427 15.470 1.00 32.89 ? 487 PHE A CG 1 ATOM 1130 C CD1 . PHE A 1 146 ? -0.186 -10.384 14.157 1.00 30.41 ? 487 PHE A CD1 1 ATOM 1131 C CD2 . PHE A 1 146 ? 0.785 -9.261 16.041 1.00 29.94 ? 487 PHE A CD2 1 ATOM 1132 C CE1 . PHE A 1 146 ? -0.156 -9.204 13.426 1.00 28.87 ? 487 PHE A CE1 1 ATOM 1133 C CE2 . PHE A 1 146 ? 0.822 -8.075 15.319 1.00 30.19 ? 487 PHE A CE2 1 ATOM 1134 C CZ . PHE A 1 146 ? 0.346 -8.047 14.003 1.00 29.68 ? 487 PHE A CZ 1 ATOM 1135 N N . SER A 1 147 ? -1.392 -14.562 16.292 1.00 32.25 ? 488 SER A N 1 ATOM 1136 C CA . SER A 1 147 ? -1.428 -15.939 16.759 1.00 29.33 ? 488 SER A CA 1 ATOM 1137 C C . SER A 1 147 ? -0.050 -16.261 17.288 1.00 28.45 ? 488 SER A C 1 ATOM 1138 O O . SER A 1 147 ? 0.094 -16.850 18.355 1.00 28.28 ? 488 SER A O 1 ATOM 1139 C CB . SER A 1 147 ? -1.796 -16.876 15.616 1.00 26.83 ? 488 SER A CB 1 ATOM 1140 O OG . SER A 1 147 ? -1.078 -16.523 14.457 1.00 31.48 ? 488 SER A OG 1 ATOM 1141 N N . GLN A 1 148 ? 0.967 -15.849 16.542 1.00 28.58 ? 489 GLN A N 1 ATOM 1142 C CA . GLN A 1 148 ? 2.350 -16.076 16.947 1.00 26.85 ? 489 GLN A CA 1 ATOM 1143 C C . GLN A 1 148 ? 3.228 -14.962 16.403 1.00 22.70 ? 489 GLN A C 1 ATOM 1144 O O . GLN A 1 148 ? 2.911 -14.344 15.391 1.00 22.53 ? 489 GLN A O 1 ATOM 1145 C CB . GLN A 1 148 ? 2.854 -17.414 16.414 1.00 27.20 ? 489 GLN A CB 1 ATOM 1146 C CG . GLN A 1 148 ? 1.982 -18.593 16.754 1.00 33.16 ? 489 GLN A CG 1 ATOM 1147 C CD . GLN A 1 148 ? 2.433 -19.835 16.029 1.00 38.20 ? 489 GLN A CD 1 ATOM 1148 O OE1 . GLN A 1 148 ? 3.101 -20.697 16.598 1.00 43.26 ? 489 GLN A OE1 1 ATOM 1149 N NE2 . GLN A 1 148 ? 2.087 -19.924 14.751 1.00 43.12 ? 489 GLN A NE2 1 ATOM 1150 N N . SER A 1 149 ? 4.353 -14.734 17.061 1.00 20.14 ? 490 SER A N 1 ATOM 1151 C CA . SER A 1 149 ? 5.248 -13.685 16.632 1.00 19.32 ? 490 SER A CA 1 ATOM 1152 C C . SER A 1 149 ? 6.658 -13.984 17.089 1.00 19.27 ? 490 SER A C 1 ATOM 1153 O O . SER A 1 149 ? 6.932 -14.989 17.759 1.00 20.04 ? 490 SER A O 1 ATOM 1154 C CB . SER A 1 149 ? 4.816 -12.351 17.262 1.00 19.23 ? 490 SER A CB 1 ATOM 1155 O OG . SER A 1 149 ? 3.408 -12.190 17.232 1.00 22.75 ? 490 SER A OG 1 ATOM 1156 N N . CYS A 1 150 ? 7.557 -13.111 16.665 1.00 15.86 ? 491 CYS A N 1 ATOM 1157 C CA . CYS A 1 150 ? 8.922 -13.143 17.130 1.00 16.50 ? 491 CYS A CA 1 ATOM 1158 C C . CYS A 1 150 ? 9.124 -11.681 17.494 1.00 14.04 ? 491 CYS A C 1 ATOM 1159 O O . CYS A 1 150 ? 9.270 -10.823 16.632 1.00 13.80 ? 491 CYS A O 1 ATOM 1160 C CB . CYS A 1 150 ? 9.952 -13.563 16.079 1.00 17.02 ? 491 CYS A CB 1 ATOM 1161 S SG . CYS A 1 150 ? 11.614 -13.275 16.776 1.00 16.72 ? 491 CYS A SG 1 ATOM 1162 N N . ALA A 1 151 ? 9.085 -11.398 18.784 1.00 15.32 ? 492 ALA A N 1 ATOM 1163 C CA . ALA A 1 151 ? 9.261 -10.043 19.288 1.00 17.65 ? 492 ALA A CA 1 ATOM 1164 C C . ALA A 1 151 ? 10.333 -10.153 20.360 1.00 17.53 ? 492 ALA A C 1 ATOM 1165 O O . ALA A 1 151 ? 10.022 -10.295 21.545 1.00 17.71 ? 492 ALA A O 1 ATOM 1166 C CB . ALA A 1 151 ? 7.943 -9.528 19.888 1.00 10.85 ? 492 ALA A CB 1 ATOM 1167 N N . PRO A 1 152 ? 11.614 -10.116 19.953 1.00 18.08 ? 493 PRO A N 1 ATOM 1168 C CA . PRO A 1 152 ? 12.725 -10.215 20.903 1.00 19.08 ? 493 PRO A CA 1 ATOM 1169 C C . PRO A 1 152 ? 12.481 -9.339 22.129 1.00 21.84 ? 493 PRO A C 1 ATOM 1170 O O . PRO A 1 152 ? 12.105 -8.171 22.000 1.00 22.50 ? 493 PRO A O 1 ATOM 1171 C CB . PRO A 1 152 ? 13.924 -9.750 20.075 1.00 18.36 ? 493 PRO A CB 1 ATOM 1172 C CG . PRO A 1 152 ? 13.585 -10.252 18.718 1.00 20.07 ? 493 PRO A CG 1 ATOM 1173 C CD . PRO A 1 152 ? 12.119 -9.867 18.591 1.00 19.98 ? 493 PRO A CD 1 ATOM 1174 N N . GLY A 1 153 ? 12.675 -9.914 23.311 1.00 22.02 ? 494 GLY A N 1 ATOM 1175 C CA . GLY A 1 153 ? 12.461 -9.162 24.526 1.00 22.88 ? 494 GLY A CA 1 ATOM 1176 C C . GLY A 1 153 ? 11.233 -9.564 25.309 1.00 23.68 ? 494 GLY A C 1 ATOM 1177 O O . GLY A 1 153 ? 11.075 -9.165 26.457 1.00 26.25 ? 494 GLY A O 1 ATOM 1178 N N . ALA A 1 154 ? 10.350 -10.344 24.703 1.00 25.48 ? 495 ALA A N 1 ATOM 1179 C CA . ALA A 1 154 ? 9.155 -10.795 25.414 1.00 26.52 ? 495 ALA A CA 1 ATOM 1180 C C . ALA A 1 154 ? 9.494 -12.103 26.120 1.00 26.56 ? 495 ALA A C 1 ATOM 1181 O O . ALA A 1 154 ? 10.616 -12.605 25.990 1.00 26.35 ? 495 ALA A O 1 ATOM 1182 C CB . ALA A 1 154 ? 7.989 -10.995 24.436 1.00 28.35 ? 495 ALA A CB 1 ATOM 1183 N N . ASP A 1 155 ? 8.531 -12.652 26.856 1.00 25.63 ? 496 ASP A N 1 ATOM 1184 C CA . ASP A 1 155 ? 8.731 -13.898 27.592 1.00 26.44 ? 496 ASP A CA 1 ATOM 1185 C C . ASP A 1 155 ? 8.891 -15.087 26.633 1.00 27.27 ? 496 ASP A C 1 ATOM 1186 O O . ASP A 1 155 ? 7.979 -15.408 25.874 1.00 26.01 ? 496 ASP A O 1 ATOM 1187 C CB . ASP A 1 155 ? 7.540 -14.111 28.535 1.00 30.31 ? 496 ASP A CB 1 ATOM 1188 C CG . ASP A 1 155 ? 7.614 -15.421 29.306 1.00 32.46 ? 496 ASP A CG 1 ATOM 1189 O OD1 . ASP A 1 155 ? 8.617 -16.160 29.187 1.00 31.52 ? 496 ASP A OD1 1 ATOM 1190 O OD2 . ASP A 1 155 ? 6.649 -15.715 30.043 1.00 36.62 ? 496 ASP A OD2 1 ATOM 1191 N N . PRO A 1 156 ? 10.055 -15.766 26.675 1.00 26.98 ? 497 PRO A N 1 ATOM 1192 C CA . PRO A 1 156 ? 10.342 -16.914 25.809 1.00 28.31 ? 497 PRO A CA 1 ATOM 1193 C C . PRO A 1 156 ? 9.254 -17.981 25.729 1.00 29.66 ? 497 PRO A C 1 ATOM 1194 O O . PRO A 1 156 ? 9.077 -18.615 24.690 1.00 30.85 ? 497 PRO A O 1 ATOM 1195 C CB . PRO A 1 156 ? 11.642 -17.459 26.387 1.00 26.62 ? 497 PRO A CB 1 ATOM 1196 C CG . PRO A 1 156 ? 12.319 -16.238 26.886 1.00 26.62 ? 497 PRO A CG 1 ATOM 1197 C CD . PRO A 1 156 ? 11.181 -15.535 27.599 1.00 25.33 ? 497 PRO A CD 1 ATOM 1198 N N . LYS A 1 157 ? 8.513 -18.173 26.808 1.00 29.85 ? 498 LYS A N 1 ATOM 1199 C CA . LYS A 1 157 ? 7.469 -19.185 26.807 1.00 32.04 ? 498 LYS A CA 1 ATOM 1200 C C . LYS A 1 157 ? 6.192 -18.682 26.156 1.00 31.95 ? 498 LYS A C 1 ATOM 1201 O O . LYS A 1 157 ? 5.259 -19.461 25.955 1.00 35.74 ? 498 LYS A O 1 ATOM 1202 C CB . LYS A 1 157 ? 7.139 -19.612 28.238 1.00 34.48 ? 498 LYS A CB 1 ATOM 1203 C CG . LYS A 1 157 ? 8.341 -19.974 29.080 1.00 39.14 ? 498 LYS A CG 1 ATOM 1204 C CD . LYS A 1 157 ? 8.034 -19.777 30.562 1.00 35.74 ? 498 LYS A CD 1 ATOM 1205 C CE . LYS A 1 157 ? 7.462 -18.393 30.781 1.00 34.51 ? 498 LYS A CE 1 ATOM 1206 N NZ . LYS A 1 157 ? 7.374 -18.007 32.201 1.00 25.87 ? 498 LYS A NZ 1 ATOM 1207 N N . SER A 1 158 ? 6.129 -17.392 25.834 1.00 29.58 ? 499 SER A N 1 ATOM 1208 C CA . SER A 1 158 ? 4.908 -16.851 25.246 1.00 26.06 ? 499 SER A CA 1 ATOM 1209 C C . SER A 1 158 ? 4.836 -16.937 23.724 1.00 27.33 ? 499 SER A C 1 ATOM 1210 O O . SER A 1 158 ? 5.849 -17.119 23.047 1.00 24.47 ? 499 SER A O 1 ATOM 1211 C CB . SER A 1 158 ? 4.704 -15.402 25.697 1.00 24.10 ? 499 SER A CB 1 ATOM 1212 O OG . SER A 1 158 ? 5.578 -14.506 25.038 1.00 24.39 ? 499 SER A OG 1 ATOM 1213 N N . ARG A 1 159 ? 3.623 -16.806 23.192 1.00 28.39 ? 500 ARG A N 1 ATOM 1214 C CA . ARG A 1 159 ? 3.413 -16.870 21.750 1.00 29.84 ? 500 ARG A CA 1 ATOM 1215 C C . ARG A 1 159 ? 4.126 -15.731 21.016 1.00 27.06 ? 500 ARG A C 1 ATOM 1216 O O . ARG A 1 159 ? 4.324 -15.799 19.801 1.00 25.87 ? 500 ARG A O 1 ATOM 1217 C CB . ARG A 1 159 ? 1.908 -16.863 21.430 1.00 36.34 ? 500 ARG A CB 1 ATOM 1218 C CG . ARG A 1 159 ? 1.156 -15.577 21.785 1.00 45.28 ? 500 ARG A CG 1 ATOM 1219 C CD . ARG A 1 159 ? -0.210 -15.880 22.418 1.00 51.64 ? 500 ARG A CD 1 ATOM 1220 N NE . ARG A 1 159 ? -1.342 -15.316 21.679 1.00 56.94 ? 500 ARG A NE 1 ATOM 1221 C CZ . ARG A 1 159 ? -2.213 -16.046 20.987 1.00 60.97 ? 500 ARG A CZ 1 ATOM 1222 N NH1 . ARG A 1 159 ? -2.079 -17.367 20.938 1.00 61.91 ? 500 ARG A NH1 1 ATOM 1223 N NH2 . ARG A 1 159 ? -3.222 -15.464 20.350 1.00 61.95 ? 500 ARG A NH2 1 ATOM 1224 N N . LEU A 1 160 ? 4.509 -14.690 21.756 1.00 23.10 ? 501 LEU A N 1 ATOM 1225 C CA . LEU A 1 160 ? 5.223 -13.551 21.177 1.00 21.28 ? 501 LEU A CA 1 ATOM 1226 C C . LEU A 1 160 ? 6.676 -13.887 20.848 1.00 19.52 ? 501 LEU A C 1 ATOM 1227 O O . LEU A 1 160 ? 7.364 -13.103 20.206 1.00 19.28 ? 501 LEU A O 1 ATOM 1228 C CB . LEU A 1 160 ? 5.192 -12.347 22.128 1.00 18.19 ? 501 LEU A CB 1 ATOM 1229 C CG . LEU A 1 160 ? 3.940 -11.469 22.085 1.00 17.37 ? 501 LEU A CG 1 ATOM 1230 C CD1 . LEU A 1 160 ? 3.979 -10.500 23.242 1.00 15.90 ? 501 LEU A CD1 1 ATOM 1231 C CD2 . LEU A 1 160 ? 3.873 -10.719 20.763 1.00 18.62 ? 501 LEU A CD2 1 ATOM 1232 N N . CYS A 1 161 ? 7.142 -15.039 21.311 1.00 19.42 ? 502 CYS A N 1 ATOM 1233 C CA . CYS A 1 161 ? 8.508 -15.487 21.071 1.00 17.93 ? 502 CYS A CA 1 ATOM 1234 C C . CYS A 1 161 ? 8.444 -16.812 20.308 1.00 20.35 ? 502 CYS A C 1 ATOM 1235 O O . CYS A 1 161 ? 9.472 -17.416 19.982 1.00 18.43 ? 502 CYS A O 1 ATOM 1236 C CB . CYS A 1 161 ? 9.242 -15.728 22.397 1.00 16.89 ? 502 CYS A CB 1 ATOM 1237 S SG . CYS A 1 161 ? 9.873 -14.268 23.293 1.00 18.48 ? 502 CYS A SG 1 ATOM 1238 N N . ALA A 1 162 ? 7.219 -17.259 20.045 1.00 20.12 ? 503 ALA A N 1 ATOM 1239 C CA . ALA A 1 162 ? 6.967 -18.509 19.340 1.00 21.25 ? 503 ALA A CA 1 ATOM 1240 C C . ALA A 1 162 ? 7.708 -18.639 18.021 1.00 23.22 ? 503 ALA A C 1 ATOM 1241 O O . ALA A 1 162 ? 8.204 -19.714 17.691 1.00 25.60 ? 503 ALA A O 1 ATOM 1242 C CB . ALA A 1 162 ? 5.466 -18.675 19.090 1.00 20.06 ? 503 ALA A CB 1 ATOM 1243 N N . LEU A 1 163 ? 7.791 -17.541 17.274 1.00 24.80 ? 504 LEU A N 1 ATOM 1244 C CA . LEU A 1 163 ? 8.447 -17.529 15.973 1.00 23.15 ? 504 LEU A CA 1 ATOM 1245 C C . LEU A 1 163 ? 9.948 -17.217 15.971 1.00 22.51 ? 504 LEU A C 1 ATOM 1246 O O . LEU A 1 163 ? 10.563 -17.193 14.899 1.00 24.47 ? 504 LEU A O 1 ATOM 1247 C CB . LEU A 1 163 ? 7.730 -16.533 15.058 1.00 26.08 ? 504 LEU A CB 1 ATOM 1248 C CG . LEU A 1 163 ? 6.580 -17.002 14.149 1.00 30.46 ? 504 LEU A CG 1 ATOM 1249 C CD1 . LEU A 1 163 ? 6.002 -18.325 14.622 1.00 31.07 ? 504 LEU A CD1 1 ATOM 1250 C CD2 . LEU A 1 163 ? 5.506 -15.913 14.129 1.00 29.65 ? 504 LEU A CD2 1 ATOM 1251 N N . CYS A 1 164 ? 10.549 -16.984 17.138 1.00 19.59 ? 505 CYS A N 1 ATOM 1252 C CA . CYS A 1 164 ? 11.981 -16.679 17.189 1.00 18.69 ? 505 CYS A CA 1 ATOM 1253 C C . CYS A 1 164 ? 12.852 -17.957 17.183 1.00 19.35 ? 505 CYS A C 1 ATOM 1254 O O . CYS A 1 164 ? 12.463 -18.983 17.725 1.00 18.07 ? 505 CYS A O 1 ATOM 1255 C CB . CYS A 1 164 ? 12.296 -15.833 18.418 1.00 17.16 ? 505 CYS A CB 1 ATOM 1256 S SG . CYS A 1 164 ? 11.513 -14.186 18.595 1.00 22.84 ? 505 CYS A SG 1 ATOM 1257 N N . ALA A 1 165 ? 14.049 -17.872 16.608 1.00 21.48 ? 506 ALA A N 1 ATOM 1258 C CA . ALA A 1 165 ? 14.938 -19.037 16.463 1.00 23.37 ? 506 ALA A CA 1 ATOM 1259 C C . ALA A 1 165 ? 16.199 -19.164 17.319 1.00 26.19 ? 506 ALA A C 1 ATOM 1260 O O . ALA A 1 165 ? 16.792 -20.252 17.386 1.00 30.23 ? 506 ALA A O 1 ATOM 1261 C CB . ALA A 1 165 ? 15.345 -19.174 14.989 1.00 21.13 ? 506 ALA A CB 1 ATOM 1262 N N . GLY A 1 166 ? 16.628 -18.091 17.964 1.00 26.12 ? 507 GLY A N 1 ATOM 1263 C CA . GLY A 1 166 ? 17.840 -18.212 18.750 1.00 27.46 ? 507 GLY A CA 1 ATOM 1264 C C . GLY A 1 166 ? 19.071 -18.185 17.858 1.00 27.61 ? 507 GLY A C 1 ATOM 1265 O O . GLY A 1 166 ? 18.964 -17.810 16.686 1.00 25.78 ? 507 GLY A O 1 ATOM 1266 N N . ASP A 1 167 ? 20.227 -18.607 18.376 1.00 28.74 ? 508 ASP A N 1 ATOM 1267 C CA . ASP A 1 167 ? 21.490 -18.571 17.615 1.00 30.32 ? 508 ASP A CA 1 ATOM 1268 C C . ASP A 1 167 ? 21.838 -19.808 16.783 1.00 32.28 ? 508 ASP A C 1 ATOM 1269 O O . ASP A 1 167 ? 20.971 -20.629 16.464 1.00 30.01 ? 508 ASP A O 1 ATOM 1270 C CB . ASP A 1 167 ? 22.633 -18.281 18.581 1.00 29.19 ? 508 ASP A CB 1 ATOM 1271 C CG . ASP A 1 167 ? 22.929 -19.463 19.500 1.00 28.64 ? 508 ASP A CG 1 ATOM 1272 O OD1 . ASP A 1 167 ? 22.124 -20.415 19.516 1.00 27.89 ? 508 ASP A OD1 1 ATOM 1273 O OD2 . ASP A 1 167 ? 23.959 -19.422 20.199 1.00 25.33 ? 508 ASP A OD2 1 ATOM 1274 N N A ASP A 1 168 ? 23.118 -19.964 16.434 0.60 35.66 ? 509 ASP A N 1 ATOM 1275 N N B ASP A 1 168 ? 23.112 -19.929 16.434 0.40 34.88 ? 509 ASP A N 1 ATOM 1276 C CA A ASP A 1 168 ? 23.525 -21.118 15.631 0.60 36.78 ? 509 ASP A CA 1 ATOM 1277 C CA B ASP A 1 168 ? 23.546 -21.074 15.628 0.40 36.24 ? 509 ASP A CA 1 ATOM 1278 C C A ASP A 1 168 ? 22.965 -22.402 16.195 0.60 37.92 ? 509 ASP A C 1 ATOM 1279 C C B ASP A 1 168 ? 23.046 -22.396 16.198 0.40 37.24 ? 509 ASP A C 1 ATOM 1280 O O A ASP A 1 168 ? 22.595 -23.302 15.451 0.60 38.96 ? 509 ASP A O 1 ATOM 1281 O O B ASP A 1 168 ? 22.788 -23.324 15.442 0.40 38.15 ? 509 ASP A O 1 ATOM 1282 C CB A ASP A 1 168 ? 25.043 -21.283 15.559 0.60 37.70 ? 509 ASP A CB 1 ATOM 1283 C CB B ASP A 1 168 ? 25.075 -21.097 15.480 0.40 37.27 ? 509 ASP A CB 1 ATOM 1284 C CG A ASP A 1 168 ? 25.686 -20.321 14.609 0.60 40.27 ? 509 ASP A CG 1 ATOM 1285 C CG B ASP A 1 168 ? 25.783 -20.801 16.764 0.40 37.98 ? 509 ASP A CG 1 ATOM 1286 O OD1 A ASP A 1 168 ? 25.072 -20.009 13.573 0.60 39.74 ? 509 ASP A OD1 1 ATOM 1287 O OD1 B ASP A 1 168 ? 25.592 -19.678 17.301 0.40 38.60 ? 509 ASP A OD1 1 ATOM 1288 O OD2 A ASP A 1 168 ? 26.818 -19.896 14.888 0.60 39.55 ? 509 ASP A OD2 1 ATOM 1289 O OD2 B ASP A 1 168 ? 26.523 -21.667 17.228 0.40 39.76 ? 509 ASP A OD2 1 ATOM 1290 N N . GLN A 1 169 ? 22.898 -22.488 17.521 1.00 36.87 ? 510 GLN A N 1 ATOM 1291 C CA . GLN A 1 169 ? 22.416 -23.717 18.171 1.00 35.15 ? 510 GLN A CA 1 ATOM 1292 C C . GLN A 1 169 ? 21.022 -23.725 18.782 1.00 34.50 ? 510 GLN A C 1 ATOM 1293 O O . GLN A 1 169 ? 20.673 -24.691 19.456 1.00 36.77 ? 510 GLN A O 1 ATOM 1294 C CB . GLN A 1 169 ? 23.334 -24.136 19.312 1.00 37.54 ? 510 GLN A CB 1 ATOM 1295 C CG . GLN A 1 169 ? 24.758 -23.713 19.226 1.00 43.87 ? 510 GLN A CG 1 ATOM 1296 C CD . GLN A 1 169 ? 25.528 -24.333 20.373 1.00 48.92 ? 510 GLN A CD 1 ATOM 1297 O OE1 . GLN A 1 169 ? 25.365 -25.524 20.656 1.00 51.73 ? 510 GLN A OE1 1 ATOM 1298 N NE2 . GLN A 1 169 ? 26.349 -23.538 21.054 1.00 47.85 ? 510 GLN A NE2 1 ATOM 1299 N N . GLY A 1 170 ? 20.230 -22.679 18.602 1.00 33.02 ? 511 GLY A N 1 ATOM 1300 C CA . GLY A 1 170 ? 18.913 -22.690 19.215 1.00 30.30 ? 511 GLY A CA 1 ATOM 1301 C C . GLY A 1 170 ? 18.961 -22.112 20.624 1.00 31.60 ? 511 GLY A C 1 ATOM 1302 O O . GLY A 1 170 ? 17.926 -21.978 21.306 1.00 32.04 ? 511 GLY A O 1 ATOM 1303 N N . LEU A 1 171 ? 20.163 -21.763 21.078 1.00 28.67 ? 512 LEU A N 1 ATOM 1304 C CA . LEU A 1 171 ? 20.306 -21.154 22.393 1.00 26.43 ? 512 LEU A CA 1 ATOM 1305 C C . LEU A 1 171 ? 19.933 -19.686 22.246 1.00 26.11 ? 512 LEU A C 1 ATOM 1306 O O . LEU A 1 171 ? 19.936 -19.156 21.142 1.00 26.76 ? 512 LEU A O 1 ATOM 1307 C CB . LEU A 1 171 ? 21.745 -21.265 22.909 1.00 24.40 ? 512 LEU A CB 1 ATOM 1308 C CG . LEU A 1 171 ? 22.303 -22.652 23.274 1.00 24.46 ? 512 LEU A CG 1 ATOM 1309 C CD1 . LEU A 1 171 ? 23.582 -22.438 24.055 1.00 24.35 ? 512 LEU A CD1 1 ATOM 1310 C CD2 . LEU A 1 171 ? 21.311 -23.455 24.129 1.00 22.11 ? 512 LEU A CD2 1 ATOM 1311 N N . ASP A 1 172 ? 19.606 -19.046 23.364 1.00 26.14 ? 513 ASP A N 1 ATOM 1312 C CA . ASP A 1 172 ? 19.236 -17.633 23.402 1.00 25.01 ? 513 ASP A CA 1 ATOM 1313 C C . ASP A 1 172 ? 17.964 -17.201 22.681 1.00 25.17 ? 513 ASP A C 1 ATOM 1314 O O . ASP A 1 172 ? 17.858 -16.050 22.250 1.00 25.46 ? 513 ASP A O 1 ATOM 1315 C CB . ASP A 1 172 ? 20.379 -16.769 22.881 1.00 24.90 ? 513 ASP A CB 1 ATOM 1316 C CG . ASP A 1 172 ? 21.466 -16.569 23.902 1.00 29.63 ? 513 ASP A CG 1 ATOM 1317 O OD1 . ASP A 1 172 ? 21.135 -16.594 25.106 1.00 33.34 ? 513 ASP A OD1 1 ATOM 1318 O OD2 . ASP A 1 172 ? 22.639 -16.374 23.506 1.00 31.83 ? 513 ASP A OD2 1 ATOM 1319 N N . LYS A 1 173 ? 16.996 -18.098 22.573 1.00 23.14 ? 514 LYS A N 1 ATOM 1320 C CA . LYS A 1 173 ? 15.739 -17.782 21.901 1.00 21.58 ? 514 LYS A CA 1 ATOM 1321 C C . LYS A 1 173 ? 15.020 -16.536 22.395 1.00 19.38 ? 514 LYS A C 1 ATOM 1322 O O . LYS A 1 173 ? 14.678 -16.437 23.574 1.00 19.41 ? 514 LYS A O 1 ATOM 1323 C CB . LYS A 1 173 ? 14.777 -18.963 22.002 1.00 24.53 ? 514 LYS A CB 1 ATOM 1324 C CG . LYS A 1 173 ? 13.420 -18.722 21.382 1.00 30.44 ? 514 LYS A CG 1 ATOM 1325 C CD . LYS A 1 173 ? 12.844 -20.030 20.881 1.00 36.71 ? 514 LYS A CD 1 ATOM 1326 C CE . LYS A 1 173 ? 13.923 -20.797 20.098 1.00 43.21 ? 514 LYS A CE 1 ATOM 1327 N NZ . LYS A 1 173 ? 13.346 -21.783 19.147 1.00 42.96 ? 514 LYS A NZ 1 ATOM 1328 N N . CYS A 1 174 ? 14.801 -15.597 21.475 1.00 17.88 ? 515 CYS A N 1 ATOM 1329 C CA . CYS A 1 174 ? 14.097 -14.346 21.740 1.00 16.40 ? 515 CYS A CA 1 ATOM 1330 C C . CYS A 1 174 ? 14.867 -13.263 22.480 1.00 15.87 ? 515 CYS A C 1 ATOM 1331 O O . CYS A 1 174 ? 14.251 -12.294 22.899 1.00 16.26 ? 515 CYS A O 1 ATOM 1332 C CB . CYS A 1 174 ? 12.790 -14.616 22.511 1.00 16.30 ? 515 CYS A CB 1 ATOM 1333 S SG . CYS A 1 174 ? 11.340 -13.590 22.068 1.00 17.62 ? 515 CYS A SG 1 ATOM 1334 N N . VAL A 1 175 ? 16.180 -13.405 22.667 1.00 15.52 ? 516 VAL A N 1 ATOM 1335 C CA . VAL A 1 175 ? 16.901 -12.360 23.374 1.00 15.60 ? 516 VAL A CA 1 ATOM 1336 C C . VAL A 1 175 ? 16.976 -11.168 22.456 1.00 16.74 ? 516 VAL A C 1 ATOM 1337 O O . VAL A 1 175 ? 17.055 -11.307 21.231 1.00 17.55 ? 516 VAL A O 1 ATOM 1338 C CB . VAL A 1 175 ? 18.317 -12.779 23.817 1.00 15.94 ? 516 VAL A CB 1 ATOM 1339 C CG1 . VAL A 1 175 ? 18.218 -13.877 24.842 1.00 14.66 ? 516 VAL A CG1 1 ATOM 1340 C CG2 . VAL A 1 175 ? 19.139 -13.214 22.627 1.00 20.55 ? 516 VAL A CG2 1 ATOM 1341 N N . PRO A 1 176 ? 16.917 -9.964 23.043 1.00 18.32 ? 517 PRO A N 1 ATOM 1342 C CA . PRO A 1 176 ? 16.967 -8.740 22.253 1.00 16.29 ? 517 PRO A CA 1 ATOM 1343 C C . PRO A 1 176 ? 18.355 -8.236 21.959 1.00 17.69 ? 517 PRO A C 1 ATOM 1344 O O . PRO A 1 176 ? 18.717 -7.145 22.379 1.00 20.66 ? 517 PRO A O 1 ATOM 1345 C CB . PRO A 1 176 ? 16.148 -7.760 23.088 1.00 18.51 ? 517 PRO A CB 1 ATOM 1346 C CG . PRO A 1 176 ? 16.444 -8.208 24.541 1.00 18.41 ? 517 PRO A CG 1 ATOM 1347 C CD . PRO A 1 176 ? 16.846 -9.675 24.490 1.00 16.50 ? 517 PRO A CD 1 ATOM 1348 N N . ASN A 1 177 ? 19.141 -9.058 21.277 1.00 16.76 ? 518 ASN A N 1 ATOM 1349 C CA . ASN A 1 177 ? 20.469 -8.676 20.834 1.00 17.35 ? 518 ASN A CA 1 ATOM 1350 C C . ASN A 1 177 ? 20.638 -9.544 19.597 1.00 19.70 ? 518 ASN A C 1 ATOM 1351 O O . ASN A 1 177 ? 19.873 -10.490 19.408 1.00 20.34 ? 518 ASN A O 1 ATOM 1352 C CB . ASN A 1 177 ? 21.565 -8.901 21.903 1.00 16.63 ? 518 ASN A CB 1 ATOM 1353 C CG . ASN A 1 177 ? 21.955 -10.357 22.089 1.00 18.30 ? 518 ASN A CG 1 ATOM 1354 O OD1 . ASN A 1 177 ? 22.207 -11.078 21.133 1.00 20.70 ? 518 ASN A OD1 1 ATOM 1355 N ND2 . ASN A 1 177 ? 22.049 -10.779 23.337 1.00 16.29 ? 518 ASN A ND2 1 ATOM 1356 N N . SER A 1 178 ? 21.605 -9.218 18.745 1.00 20.99 ? 519 SER A N 1 ATOM 1357 C CA . SER A 1 178 ? 21.800 -9.944 17.500 1.00 19.16 ? 519 SER A CA 1 ATOM 1358 C C . SER A 1 178 ? 22.061 -11.435 17.536 1.00 21.02 ? 519 SER A C 1 ATOM 1359 O O . SER A 1 178 ? 22.040 -12.058 16.484 1.00 26.04 ? 519 SER A O 1 ATOM 1360 C CB . SER A 1 178 ? 22.880 -9.282 16.650 1.00 14.83 ? 519 SER A CB 1 ATOM 1361 O OG . SER A 1 178 ? 24.162 -9.494 17.206 1.00 20.83 ? 519 SER A OG 1 ATOM 1362 N N . LYS A 1 179 ? 22.305 -12.037 18.696 1.00 19.91 ? 520 LYS A N 1 ATOM 1363 C CA . LYS A 1 179 ? 22.500 -13.496 18.708 1.00 23.10 ? 520 LYS A CA 1 ATOM 1364 C C . LYS A 1 179 ? 21.215 -14.181 18.214 1.00 21.43 ? 520 LYS A C 1 ATOM 1365 O O . LYS A 1 179 ? 21.248 -15.301 17.709 1.00 20.50 ? 520 LYS A O 1 ATOM 1366 C CB . LYS A 1 179 ? 22.854 -14.029 20.105 1.00 26.41 ? 520 LYS A CB 1 ATOM 1367 C CG . LYS A 1 179 ? 24.342 -14.024 20.398 1.00 34.01 ? 520 LYS A CG 1 ATOM 1368 C CD . LYS A 1 179 ? 24.704 -14.985 21.523 1.00 43.50 ? 520 LYS A CD 1 ATOM 1369 C CE . LYS A 1 179 ? 24.531 -16.434 21.091 1.00 45.66 ? 520 LYS A CE 1 ATOM 1370 N NZ . LYS A 1 179 ? 24.939 -17.405 22.152 1.00 49.24 ? 520 LYS A NZ 1 ATOM 1371 N N . GLU A 1 180 ? 20.081 -13.501 18.378 1.00 20.85 ? 521 GLU A N 1 ATOM 1372 C CA . GLU A 1 180 ? 18.799 -14.015 17.909 1.00 19.11 ? 521 GLU A CA 1 ATOM 1373 C C . GLU A 1 180 ? 18.716 -13.743 16.403 1.00 19.11 ? 521 GLU A C 1 ATOM 1374 O O . GLU A 1 180 ? 18.911 -12.614 15.934 1.00 20.14 ? 521 GLU A O 1 ATOM 1375 C CB . GLU A 1 180 ? 17.646 -13.338 18.654 1.00 16.73 ? 521 GLU A CB 1 ATOM 1376 C CG . GLU A 1 180 ? 16.281 -13.387 17.959 1.00 17.51 ? 521 GLU A CG 1 ATOM 1377 C CD . GLU A 1 180 ? 15.691 -14.791 17.800 1.00 19.99 ? 521 GLU A CD 1 ATOM 1378 O OE1 . GLU A 1 180 ? 15.501 -15.511 18.807 1.00 16.80 ? 521 GLU A OE1 1 ATOM 1379 O OE2 . GLU A 1 180 ? 15.398 -15.165 16.648 1.00 20.11 ? 521 GLU A OE2 1 ATOM 1380 N N . LYS A 1 181 ? 18.439 -14.806 15.662 1.00 19.41 ? 522 LYS A N 1 ATOM 1381 C CA . LYS A 1 181 ? 18.348 -14.785 14.204 1.00 19.97 ? 522 LYS A CA 1 ATOM 1382 C C . LYS A 1 181 ? 17.422 -13.705 13.632 1.00 19.74 ? 522 LYS A C 1 ATOM 1383 O O . LYS A 1 181 ? 17.772 -13.047 12.644 1.00 19.50 ? 522 LYS A O 1 ATOM 1384 C CB . LYS A 1 181 ? 17.893 -16.163 13.732 1.00 20.45 ? 522 LYS A CB 1 ATOM 1385 C CG . LYS A 1 181 ? 17.921 -16.386 12.240 1.00 22.82 ? 522 LYS A CG 1 ATOM 1386 C CD . LYS A 1 181 ? 17.506 -17.812 11.983 1.00 27.77 ? 522 LYS A CD 1 ATOM 1387 C CE . LYS A 1 181 ? 17.751 -18.247 10.553 1.00 33.61 ? 522 LYS A CE 1 ATOM 1388 N NZ . LYS A 1 181 ? 17.407 -19.695 10.394 1.00 32.19 ? 522 LYS A NZ 1 ATOM 1389 N N . TYR A 1 182 ? 16.249 -13.521 14.245 1.00 18.94 ? 523 TYR A N 1 ATOM 1390 C CA . TYR A 1 182 ? 15.275 -12.535 13.776 1.00 17.09 ? 523 TYR A CA 1 ATOM 1391 C C . TYR A 1 182 ? 15.208 -11.234 14.564 1.00 18.12 ? 523 TYR A C 1 ATOM 1392 O O . TYR A 1 182 ? 14.146 -10.617 14.664 1.00 21.35 ? 523 TYR A O 1 ATOM 1393 C CB . TYR A 1 182 ? 13.893 -13.171 13.735 1.00 15.09 ? 523 TYR A CB 1 ATOM 1394 C CG . TYR A 1 182 ? 13.851 -14.389 12.868 1.00 17.32 ? 523 TYR A CG 1 ATOM 1395 C CD1 . TYR A 1 182 ? 14.483 -14.400 11.627 1.00 20.35 ? 523 TYR A CD1 1 ATOM 1396 C CD2 . TYR A 1 182 ? 13.211 -15.545 13.291 1.00 20.21 ? 523 TYR A CD2 1 ATOM 1397 C CE1 . TYR A 1 182 ? 14.485 -15.536 10.826 1.00 21.30 ? 523 TYR A CE1 1 ATOM 1398 C CE2 . TYR A 1 182 ? 13.205 -16.698 12.498 1.00 22.25 ? 523 TYR A CE2 1 ATOM 1399 C CZ . TYR A 1 182 ? 13.847 -16.681 11.267 1.00 22.71 ? 523 TYR A CZ 1 ATOM 1400 O OH . TYR A 1 182 ? 13.865 -17.813 10.480 1.00 21.68 ? 523 TYR A OH 1 ATOM 1401 N N . TYR A 1 183 ? 16.346 -10.811 15.100 1.00 17.19 ? 524 TYR A N 1 ATOM 1402 C CA . TYR A 1 183 ? 16.411 -9.574 15.863 1.00 17.52 ? 524 TYR A CA 1 ATOM 1403 C C . TYR A 1 183 ? 16.734 -8.338 15.005 1.00 16.35 ? 524 TYR A C 1 ATOM 1404 O O . TYR A 1 183 ? 17.515 -8.410 14.064 1.00 17.79 ? 524 TYR A O 1 ATOM 1405 C CB . TYR A 1 183 ? 17.462 -9.711 16.961 1.00 17.59 ? 524 TYR A CB 1 ATOM 1406 C CG . TYR A 1 183 ? 17.777 -8.418 17.653 1.00 16.03 ? 524 TYR A CG 1 ATOM 1407 C CD1 . TYR A 1 183 ? 16.939 -7.922 18.651 1.00 19.67 ? 524 TYR A CD1 1 ATOM 1408 C CD2 . TYR A 1 183 ? 18.880 -7.666 17.280 1.00 13.75 ? 524 TYR A CD2 1 ATOM 1409 C CE1 . TYR A 1 183 ? 17.197 -6.690 19.269 1.00 17.37 ? 524 TYR A CE1 1 ATOM 1410 C CE2 . TYR A 1 183 ? 19.146 -6.444 17.880 1.00 18.96 ? 524 TYR A CE2 1 ATOM 1411 C CZ . TYR A 1 183 ? 18.295 -5.959 18.875 1.00 17.93 ? 524 TYR A CZ 1 ATOM 1412 O OH . TYR A 1 183 ? 18.527 -4.746 19.473 1.00 23.79 ? 524 TYR A OH 1 ATOM 1413 N N . GLY A 1 184 ? 16.134 -7.205 15.354 1.00 15.40 ? 525 GLY A N 1 ATOM 1414 C CA . GLY A 1 184 ? 16.380 -5.957 14.646 1.00 18.30 ? 525 GLY A CA 1 ATOM 1415 C C . GLY A 1 184 ? 15.747 -5.861 13.269 1.00 18.50 ? 525 GLY A C 1 ATOM 1416 O O . GLY A 1 184 ? 15.045 -6.778 12.834 1.00 22.23 ? 525 GLY A O 1 ATOM 1417 N N . TYR A 1 185 ? 15.989 -4.750 12.578 1.00 18.00 ? 526 TYR A N 1 ATOM 1418 C CA . TYR A 1 185 ? 15.430 -4.533 11.240 1.00 18.76 ? 526 TYR A CA 1 ATOM 1419 C C . TYR A 1 185 ? 15.683 -5.693 10.278 1.00 19.04 ? 526 TYR A C 1 ATOM 1420 O O . TYR A 1 185 ? 14.803 -6.112 9.526 1.00 17.61 ? 526 TYR A O 1 ATOM 1421 C CB . TYR A 1 185 ? 16.031 -3.275 10.621 1.00 16.37 ? 526 TYR A CB 1 ATOM 1422 C CG . TYR A 1 185 ? 15.762 -2.012 11.377 1.00 15.80 ? 526 TYR A CG 1 ATOM 1423 C CD1 . TYR A 1 185 ? 14.458 -1.591 11.627 1.00 17.81 ? 526 TYR A CD1 1 ATOM 1424 C CD2 . TYR A 1 185 ? 16.810 -1.209 11.806 1.00 17.10 ? 526 TYR A CD2 1 ATOM 1425 C CE1 . TYR A 1 185 ? 14.207 -0.392 12.285 1.00 19.37 ? 526 TYR A CE1 1 ATOM 1426 C CE2 . TYR A 1 185 ? 16.572 -0.005 12.467 1.00 19.01 ? 526 TYR A CE2 1 ATOM 1427 C CZ . TYR A 1 185 ? 15.270 0.392 12.704 1.00 18.82 ? 526 TYR A CZ 1 ATOM 1428 O OH . TYR A 1 185 ? 15.027 1.559 13.368 1.00 19.04 ? 526 TYR A OH 1 ATOM 1429 N N . THR A 1 186 ? 16.915 -6.182 10.295 1.00 20.21 ? 527 THR A N 1 ATOM 1430 C CA . THR A 1 186 ? 17.329 -7.263 9.413 1.00 21.89 ? 527 THR A CA 1 ATOM 1431 C C . THR A 1 186 ? 16.724 -8.613 9.769 1.00 20.49 ? 527 THR A C 1 ATOM 1432 O O . THR A 1 186 ? 16.262 -9.335 8.891 1.00 18.02 ? 527 THR A O 1 ATOM 1433 C CB . THR A 1 186 ? 18.855 -7.371 9.400 1.00 21.24 ? 527 THR A CB 1 ATOM 1434 O OG1 . THR A 1 186 ? 19.408 -6.092 9.077 1.00 23.67 ? 527 THR A OG1 1 ATOM 1435 C CG2 . THR A 1 186 ? 19.308 -8.341 8.341 1.00 26.90 ? 527 THR A CG2 1 ATOM 1436 N N . GLY A 1 187 ? 16.735 -8.960 11.050 1.00 20.92 ? 528 GLY A N 1 ATOM 1437 C CA . GLY A 1 187 ? 16.177 -10.238 11.453 1.00 20.02 ? 528 GLY A CA 1 ATOM 1438 C C . GLY A 1 187 ? 14.685 -10.309 11.216 1.00 20.13 ? 528 GLY A C 1 ATOM 1439 O O . GLY A 1 187 ? 14.167 -11.333 10.767 1.00 22.64 ? 528 GLY A O 1 ATOM 1440 N N . ALA A 1 188 ? 13.995 -9.213 11.515 1.00 18.54 ? 529 ALA A N 1 ATOM 1441 C CA . ALA A 1 188 ? 12.551 -9.125 11.336 1.00 17.91 ? 529 ALA A CA 1 ATOM 1442 C C . ALA A 1 188 ? 12.158 -9.289 9.874 1.00 17.54 ? 529 ALA A C 1 ATOM 1443 O O . ALA A 1 188 ? 11.127 -9.875 9.572 1.00 21.26 ? 529 ALA A O 1 ATOM 1444 C CB . ALA A 1 188 ? 12.047 -7.795 11.858 1.00 13.89 ? 529 ALA A CB 1 ATOM 1445 N N . PHE A 1 189 ? 12.975 -8.755 8.971 1.00 15.91 ? 530 PHE A N 1 ATOM 1446 C CA . PHE A 1 189 ? 12.704 -8.857 7.539 1.00 16.85 ? 530 PHE A CA 1 ATOM 1447 C C . PHE A 1 189 ? 12.995 -10.279 7.060 1.00 17.42 ? 530 PHE A C 1 ATOM 1448 O O . PHE A 1 189 ? 12.302 -10.813 6.200 1.00 14.73 ? 530 PHE A O 1 ATOM 1449 C CB . PHE A 1 189 ? 13.568 -7.859 6.755 1.00 14.76 ? 530 PHE A CB 1 ATOM 1450 C CG . PHE A 1 189 ? 13.252 -7.804 5.285 1.00 11.71 ? 530 PHE A CG 1 ATOM 1451 C CD1 . PHE A 1 189 ? 12.025 -7.326 4.843 1.00 11.92 ? 530 PHE A CD1 1 ATOM 1452 C CD2 . PHE A 1 189 ? 14.190 -8.215 4.343 1.00 11.55 ? 530 PHE A CD2 1 ATOM 1453 C CE1 . PHE A 1 189 ? 11.735 -7.253 3.474 1.00 13.28 ? 530 PHE A CE1 1 ATOM 1454 C CE2 . PHE A 1 189 ? 13.919 -8.151 2.987 1.00 12.84 ? 530 PHE A CE2 1 ATOM 1455 C CZ . PHE A 1 189 ? 12.684 -7.668 2.544 1.00 16.72 ? 530 PHE A CZ 1 ATOM 1456 N N . ARG A 1 190 ? 14.043 -10.874 7.622 1.00 19.25 ? 531 ARG A N 1 ATOM 1457 C CA . ARG A 1 190 ? 14.434 -12.236 7.280 1.00 20.17 ? 531 ARG A CA 1 ATOM 1458 C C . ARG A 1 190 ? 13.295 -13.161 7.692 1.00 21.04 ? 531 ARG A C 1 ATOM 1459 O O . ARG A 1 190 ? 12.932 -14.091 6.971 1.00 21.63 ? 531 ARG A O 1 ATOM 1460 C CB . ARG A 1 190 ? 15.697 -12.632 8.035 1.00 19.05 ? 531 ARG A CB 1 ATOM 1461 C CG . ARG A 1 190 ? 15.989 -14.095 7.918 1.00 20.99 ? 531 ARG A CG 1 ATOM 1462 C CD . ARG A 1 190 ? 17.330 -14.475 8.488 1.00 23.36 ? 531 ARG A CD 1 ATOM 1463 N NE . ARG A 1 190 ? 17.770 -15.737 7.898 1.00 25.57 ? 531 ARG A NE 1 ATOM 1464 C CZ . ARG A 1 190 ? 18.963 -16.287 8.084 1.00 23.60 ? 531 ARG A CZ 1 ATOM 1465 N NH1 . ARG A 1 190 ? 19.855 -15.688 8.855 1.00 25.22 ? 531 ARG A NH1 1 ATOM 1466 N NH2 . ARG A 1 190 ? 19.267 -17.433 7.487 1.00 21.06 ? 531 ARG A NH2 1 ATOM 1467 N N . CYS A 1 191 ? 12.748 -12.877 8.869 1.00 21.39 ? 532 CYS A N 1 ATOM 1468 C CA . CYS A 1 191 ? 11.638 -13.618 9.453 1.00 21.97 ? 532 CYS A CA 1 ATOM 1469 C C . CYS A 1 191 ? 10.489 -13.699 8.441 1.00 23.62 ? 532 CYS A C 1 ATOM 1470 O O . CYS A 1 191 ? 9.850 -14.753 8.292 1.00 21.73 ? 532 CYS A O 1 ATOM 1471 C CB . CYS A 1 191 ? 11.217 -12.891 10.732 1.00 21.01 ? 532 CYS A CB 1 ATOM 1472 S SG . CYS A 1 191 ? 9.654 -13.304 11.580 1.00 23.38 ? 532 CYS A SG 1 ATOM 1473 N N . LEU A 1 192 ? 10.236 -12.588 7.745 1.00 21.67 ? 533 LEU A N 1 ATOM 1474 C CA . LEU A 1 192 ? 9.179 -12.521 6.740 1.00 21.22 ? 533 LEU A CA 1 ATOM 1475 C C . LEU A 1 192 ? 9.681 -13.099 5.422 1.00 22.43 ? 533 LEU A C 1 ATOM 1476 O O . LEU A 1 192 ? 8.974 -13.863 4.766 1.00 25.22 ? 533 LEU A O 1 ATOM 1477 C CB . LEU A 1 192 ? 8.734 -11.069 6.516 1.00 19.65 ? 533 LEU A CB 1 ATOM 1478 C CG . LEU A 1 192 ? 7.917 -10.841 5.231 1.00 19.02 ? 533 LEU A CG 1 ATOM 1479 C CD1 . LEU A 1 192 ? 6.449 -11.171 5.464 1.00 13.34 ? 533 LEU A CD1 1 ATOM 1480 C CD2 . LEU A 1 192 ? 8.057 -9.401 4.771 1.00 13.46 ? 533 LEU A CD2 1 ATOM 1481 N N . ALA A 1 193 ? 10.902 -12.729 5.045 1.00 22.61 ? 534 ALA A N 1 ATOM 1482 C CA . ALA A 1 193 ? 11.509 -13.192 3.797 1.00 23.56 ? 534 ALA A CA 1 ATOM 1483 C C . ALA A 1 193 ? 11.486 -14.717 3.698 1.00 25.28 ? 534 ALA A C 1 ATOM 1484 O O . ALA A 1 193 ? 11.250 -15.274 2.624 1.00 27.28 ? 534 ALA A O 1 ATOM 1485 C CB . ALA A 1 193 ? 12.941 -12.684 3.696 1.00 26.24 ? 534 ALA A CB 1 ATOM 1486 N N . GLU A 1 194 ? 11.715 -15.383 4.826 1.00 26.05 ? 535 GLU A N 1 ATOM 1487 C CA . GLU A 1 194 ? 11.729 -16.835 4.862 1.00 23.77 ? 535 GLU A CA 1 ATOM 1488 C C . GLU A 1 194 ? 10.341 -17.379 5.170 1.00 26.46 ? 535 GLU A C 1 ATOM 1489 O O . GLU A 1 194 ? 10.177 -18.573 5.433 1.00 27.22 ? 535 GLU A O 1 ATOM 1490 C CB . GLU A 1 194 ? 12.711 -17.341 5.916 1.00 21.80 ? 535 GLU A CB 1 ATOM 1491 C CG . GLU A 1 194 ? 14.152 -16.902 5.719 1.00 22.61 ? 535 GLU A CG 1 ATOM 1492 C CD . GLU A 1 194 ? 15.066 -17.480 6.785 1.00 23.14 ? 535 GLU A CD 1 ATOM 1493 O OE1 . GLU A 1 194 ? 14.570 -17.690 7.905 1.00 27.50 ? 535 GLU A OE1 1 ATOM 1494 O OE2 . GLU A 1 194 ? 16.267 -17.715 6.529 1.00 24.45 ? 535 GLU A OE2 1 ATOM 1495 N N . ASP A 1 195 ? 9.341 -16.504 5.139 1.00 27.27 ? 536 ASP A N 1 ATOM 1496 C CA . ASP A 1 195 ? 7.971 -16.912 5.396 1.00 27.70 ? 536 ASP A CA 1 ATOM 1497 C C . ASP A 1 195 ? 7.697 -17.464 6.762 1.00 25.88 ? 536 ASP A C 1 ATOM 1498 O O . ASP A 1 195 ? 6.762 -18.240 6.931 1.00 27.24 ? 536 ASP A O 1 ATOM 1499 C CB . ASP A 1 195 ? 7.501 -17.927 4.364 1.00 27.21 ? 536 ASP A CB 1 ATOM 1500 C CG . ASP A 1 195 ? 7.277 -17.295 3.013 1.00 31.29 ? 536 ASP A CG 1 ATOM 1501 O OD1 . ASP A 1 195 ? 6.533 -16.287 2.966 1.00 30.03 ? 536 ASP A OD1 1 ATOM 1502 O OD2 . ASP A 1 195 ? 7.838 -17.787 2.000 1.00 34.70 ? 536 ASP A OD2 1 ATOM 1503 N N . VAL A 1 196 ? 8.507 -17.084 7.741 1.00 25.94 ? 537 VAL A N 1 ATOM 1504 C CA . VAL A 1 196 ? 8.269 -17.513 9.115 1.00 21.70 ? 537 VAL A CA 1 ATOM 1505 C C . VAL A 1 196 ? 7.037 -16.713 9.587 1.00 20.24 ? 537 VAL A C 1 ATOM 1506 O O . VAL A 1 196 ? 6.166 -17.241 10.263 1.00 21.16 ? 537 VAL A O 1 ATOM 1507 C CB . VAL A 1 196 ? 9.498 -17.206 10.005 1.00 20.89 ? 537 VAL A CB 1 ATOM 1508 C CG1 . VAL A 1 196 ? 9.125 -17.267 11.483 1.00 18.07 ? 537 VAL A CG1 1 ATOM 1509 C CG2 . VAL A 1 196 ? 10.603 -18.213 9.713 1.00 20.75 ? 537 VAL A CG2 1 ATOM 1510 N N . GLY A 1 197 ? 6.967 -15.448 9.179 1.00 18.63 ? 538 GLY A N 1 ATOM 1511 C CA . GLY A 1 197 ? 5.844 -14.596 9.519 1.00 19.71 ? 538 GLY A CA 1 ATOM 1512 C C . GLY A 1 197 ? 5.109 -14.083 8.291 1.00 20.34 ? 538 GLY A C 1 ATOM 1513 O O . GLY A 1 197 ? 5.579 -14.208 7.159 1.00 21.37 ? 538 GLY A O 1 ATOM 1514 N N . ASP A 1 198 ? 3.942 -13.497 8.520 1.00 20.74 ? 539 ASP A N 1 ATOM 1515 C CA . ASP A 1 198 ? 3.133 -12.961 7.432 1.00 21.28 ? 539 ASP A CA 1 ATOM 1516 C C . ASP A 1 198 ? 3.388 -11.472 7.238 1.00 22.90 ? 539 ASP A C 1 ATOM 1517 O O . ASP A 1 198 ? 3.287 -10.956 6.129 1.00 23.78 ? 539 ASP A O 1 ATOM 1518 C CB . ASP A 1 198 ? 1.643 -13.168 7.706 1.00 20.83 ? 539 ASP A CB 1 ATOM 1519 C CG . ASP A 1 198 ? 1.251 -14.633 7.780 1.00 27.43 ? 539 ASP A CG 1 ATOM 1520 O OD1 . ASP A 1 198 ? 1.550 -15.395 6.831 1.00 27.54 ? 539 ASP A OD1 1 ATOM 1521 O OD2 . ASP A 1 198 ? 0.628 -15.026 8.794 1.00 26.85 ? 539 ASP A OD2 1 ATOM 1522 N N . VAL A 1 199 ? 3.716 -10.790 8.329 1.00 22.96 ? 540 VAL A N 1 ATOM 1523 C CA . VAL A 1 199 ? 3.983 -9.360 8.315 1.00 20.68 ? 540 VAL A CA 1 ATOM 1524 C C . VAL A 1 199 ? 5.199 -9.038 9.173 1.00 21.78 ? 540 VAL A C 1 ATOM 1525 O O . VAL A 1 199 ? 5.483 -9.715 10.157 1.00 24.60 ? 540 VAL A O 1 ATOM 1526 C CB . VAL A 1 199 ? 2.775 -8.577 8.842 1.00 19.86 ? 540 VAL A CB 1 ATOM 1527 C CG1 . VAL A 1 199 ? 2.332 -9.157 10.171 1.00 20.87 ? 540 VAL A CG1 1 ATOM 1528 C CG2 . VAL A 1 199 ? 3.125 -7.108 9.000 1.00 23.02 ? 540 VAL A CG2 1 ATOM 1529 N N . ALA A 1 200 ? 5.923 -8.004 8.779 1.00 22.01 ? 541 ALA A N 1 ATOM 1530 C CA . ALA A 1 200 ? 7.114 -7.582 9.497 1.00 19.93 ? 541 ALA A CA 1 ATOM 1531 C C . ALA A 1 200 ? 7.042 -6.074 9.676 1.00 20.31 ? 541 ALA A C 1 ATOM 1532 O O . ALA A 1 200 ? 6.641 -5.337 8.761 1.00 16.49 ? 541 ALA A O 1 ATOM 1533 C CB . ALA A 1 200 ? 8.377 -7.962 8.714 1.00 18.64 ? 541 ALA A CB 1 ATOM 1534 N N . PHE A 1 201 ? 7.406 -5.625 10.875 1.00 19.97 ? 542 PHE A N 1 ATOM 1535 C CA . PHE A 1 201 ? 7.400 -4.208 11.207 1.00 14.67 ? 542 PHE A CA 1 ATOM 1536 C C . PHE A 1 201 ? 8.822 -3.694 11.276 1.00 15.90 ? 542 PHE A C 1 ATOM 1537 O O . PHE A 1 201 ? 9.503 -3.836 12.293 1.00 17.81 ? 542 PHE A O 1 ATOM 1538 C CB . PHE A 1 201 ? 6.669 -4.021 12.524 1.00 15.62 ? 542 PHE A CB 1 ATOM 1539 C CG . PHE A 1 201 ? 5.236 -4.456 12.470 1.00 13.73 ? 542 PHE A CG 1 ATOM 1540 C CD1 . PHE A 1 201 ? 4.285 -3.683 11.812 1.00 12.83 ? 542 PHE A CD1 1 ATOM 1541 C CD2 . PHE A 1 201 ? 4.855 -5.665 13.016 1.00 11.55 ? 542 PHE A CD2 1 ATOM 1542 C CE1 . PHE A 1 201 ? 2.973 -4.102 11.713 1.00 8.36 ? 542 PHE A CE1 1 ATOM 1543 C CE2 . PHE A 1 201 ? 3.547 -6.095 12.927 1.00 15.07 ? 542 PHE A CE2 1 ATOM 1544 C CZ . PHE A 1 201 ? 2.594 -5.308 12.260 1.00 13.68 ? 542 PHE A CZ 1 ATOM 1545 N N . VAL A 1 202 ? 9.255 -3.106 10.164 1.00 16.94 ? 543 VAL A N 1 ATOM 1546 C CA . VAL A 1 202 ? 10.598 -2.574 10.015 1.00 15.55 ? 543 VAL A CA 1 ATOM 1547 C C . VAL A 1 202 ? 10.493 -1.151 9.502 1.00 17.02 ? 543 VAL A C 1 ATOM 1548 O O . VAL A 1 202 ? 9.469 -0.498 9.690 1.00 19.62 ? 543 VAL A O 1 ATOM 1549 C CB . VAL A 1 202 ? 11.393 -3.440 9.016 1.00 14.27 ? 543 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 202 ? 11.594 -4.838 9.597 1.00 11.99 ? 543 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 202 ? 10.631 -3.543 7.699 1.00 11.55 ? 543 VAL A CG2 1 ATOM 1552 N N . LYS A 1 203 ? 11.549 -0.664 8.857 1.00 20.57 ? 544 LYS A N 1 ATOM 1553 C CA . LYS A 1 203 ? 11.553 0.688 8.296 1.00 20.20 ? 544 LYS A CA 1 ATOM 1554 C C . LYS A 1 203 ? 11.766 0.558 6.788 1.00 20.51 ? 544 LYS A C 1 ATOM 1555 O O . LYS A 1 203 ? 12.274 -0.466 6.329 1.00 21.91 ? 544 LYS A O 1 ATOM 1556 C CB . LYS A 1 203 ? 12.681 1.508 8.909 1.00 18.44 ? 544 LYS A CB 1 ATOM 1557 C CG . LYS A 1 203 ? 14.065 0.979 8.578 1.00 16.75 ? 544 LYS A CG 1 ATOM 1558 C CD . LYS A 1 203 ? 15.134 1.825 9.240 1.00 15.92 ? 544 LYS A CD 1 ATOM 1559 C CE . LYS A 1 203 ? 16.512 1.262 8.991 1.00 11.61 ? 544 LYS A CE 1 ATOM 1560 N NZ . LYS A 1 203 ? 17.495 1.968 9.837 1.00 15.43 ? 544 LYS A NZ 1 ATOM 1561 N N . ASN A 1 204 ? 11.376 1.589 6.036 1.00 19.09 ? 545 ASN A N 1 ATOM 1562 C CA . ASN A 1 204 ? 11.502 1.610 4.582 1.00 18.42 ? 545 ASN A CA 1 ATOM 1563 C C . ASN A 1 204 ? 12.869 1.194 4.057 1.00 21.16 ? 545 ASN A C 1 ATOM 1564 O O . ASN A 1 204 ? 12.955 0.396 3.121 1.00 21.78 ? 545 ASN A O 1 ATOM 1565 C CB . ASN A 1 204 ? 11.199 3.012 4.028 1.00 21.18 ? 545 ASN A CB 1 ATOM 1566 C CG . ASN A 1 204 ? 11.722 3.203 2.597 1.00 25.91 ? 545 ASN A CG 1 ATOM 1567 O OD1 . ASN A 1 204 ? 11.322 2.468 1.690 1.00 26.75 ? 545 ASN A OD1 1 ATOM 1568 N ND2 . ASN A 1 204 ? 12.603 4.183 2.395 1.00 26.57 ? 545 ASN A ND2 1 ATOM 1569 N N . ASP A 1 205 ? 13.935 1.738 4.640 1.00 20.32 ? 546 ASP A N 1 ATOM 1570 C CA . ASP A 1 205 ? 15.277 1.437 4.167 1.00 18.93 ? 546 ASP A CA 1 ATOM 1571 C C . ASP A 1 205 ? 15.624 -0.053 4.175 1.00 20.01 ? 546 ASP A C 1 ATOM 1572 O O . ASP A 1 205 ? 16.336 -0.540 3.303 1.00 19.32 ? 546 ASP A O 1 ATOM 1573 C CB . ASP A 1 205 ? 16.295 2.200 5.007 1.00 20.47 ? 546 ASP A CB 1 ATOM 1574 C CG . ASP A 1 205 ? 15.950 3.664 5.147 1.00 24.78 ? 546 ASP A CG 1 ATOM 1575 O OD1 . ASP A 1 205 ? 15.044 3.989 5.939 1.00 22.53 ? 546 ASP A OD1 1 ATOM 1576 O OD2 . ASP A 1 205 ? 16.574 4.493 4.456 1.00 27.69 ? 546 ASP A OD2 1 ATOM 1577 N N . THR A 1 206 ? 15.109 -0.780 5.156 1.00 19.85 ? 547 THR A N 1 ATOM 1578 C CA . THR A 1 206 ? 15.408 -2.196 5.278 1.00 24.49 ? 547 THR A CA 1 ATOM 1579 C C . THR A 1 206 ? 15.019 -3.039 4.062 1.00 23.29 ? 547 THR A C 1 ATOM 1580 O O . THR A 1 206 ? 15.721 -3.986 3.726 1.00 18.65 ? 547 THR A O 1 ATOM 1581 C CB . THR A 1 206 ? 14.740 -2.798 6.537 1.00 26.26 ? 547 THR A CB 1 ATOM 1582 O OG1 . THR A 1 206 ? 15.073 -2.001 7.685 1.00 24.50 ? 547 THR A OG1 1 ATOM 1583 C CG2 . THR A 1 206 ? 15.237 -4.231 6.760 1.00 24.61 ? 547 THR A CG2 1 ATOM 1584 N N . VAL A 1 207 ? 13.896 -2.711 3.423 1.00 26.20 ? 548 VAL A N 1 ATOM 1585 C CA . VAL A 1 207 ? 13.438 -3.464 2.251 1.00 27.97 ? 548 VAL A CA 1 ATOM 1586 C C . VAL A 1 207 ? 14.425 -3.293 1.103 1.00 28.74 ? 548 VAL A C 1 ATOM 1587 O O . VAL A 1 207 ? 14.853 -4.267 0.484 1.00 27.04 ? 548 VAL A O 1 ATOM 1588 C CB . VAL A 1 207 ? 12.038 -2.993 1.785 1.00 27.49 ? 548 VAL A CB 1 ATOM 1589 C CG1 . VAL A 1 207 ? 11.539 -3.870 0.637 1.00 27.47 ? 548 VAL A CG1 1 ATOM 1590 C CG2 . VAL A 1 207 ? 11.059 -3.045 2.945 1.00 28.11 ? 548 VAL A CG2 1 ATOM 1591 N N . TRP A 1 208 ? 14.790 -2.044 0.835 1.00 29.76 ? 549 TRP A N 1 ATOM 1592 C CA . TRP A 1 208 ? 15.723 -1.715 -0.236 1.00 30.60 ? 549 TRP A CA 1 ATOM 1593 C C . TRP A 1 208 ? 17.117 -2.280 -0.086 1.00 31.72 ? 549 TRP A C 1 ATOM 1594 O O . TRP A 1 208 ? 17.745 -2.672 -1.069 1.00 36.53 ? 549 TRP A O 1 ATOM 1595 C CB . TRP A 1 208 ? 15.837 -0.200 -0.373 1.00 32.74 ? 549 TRP A CB 1 ATOM 1596 C CG . TRP A 1 208 ? 14.565 0.418 -0.757 1.00 33.45 ? 549 TRP A CG 1 ATOM 1597 C CD1 . TRP A 1 208 ? 13.513 0.691 0.055 1.00 36.02 ? 549 TRP A CD1 1 ATOM 1598 C CD2 . TRP A 1 208 ? 14.168 0.791 -2.075 1.00 37.11 ? 549 TRP A CD2 1 ATOM 1599 N NE1 . TRP A 1 208 ? 12.474 1.215 -0.675 1.00 35.84 ? 549 TRP A NE1 1 ATOM 1600 C CE2 . TRP A 1 208 ? 12.852 1.286 -1.988 1.00 35.92 ? 549 TRP A CE2 1 ATOM 1601 C CE3 . TRP A 1 208 ? 14.800 0.755 -3.327 1.00 37.00 ? 549 TRP A CE3 1 ATOM 1602 C CZ2 . TRP A 1 208 ? 12.149 1.742 -3.104 1.00 38.24 ? 549 TRP A CZ2 1 ATOM 1603 C CZ3 . TRP A 1 208 ? 14.101 1.211 -4.441 1.00 38.40 ? 549 TRP A CZ3 1 ATOM 1604 C CH2 . TRP A 1 208 ? 12.787 1.698 -4.319 1.00 40.24 ? 549 TRP A CH2 1 ATOM 1605 N N . GLU A 1 209 ? 17.602 -2.321 1.144 1.00 32.21 ? 550 GLU A N 1 ATOM 1606 C CA . GLU A 1 209 ? 18.954 -2.782 1.397 1.00 33.20 ? 550 GLU A CA 1 ATOM 1607 C C . GLU A 1 209 ? 19.138 -4.293 1.423 1.00 32.97 ? 550 GLU A C 1 ATOM 1608 O O . GLU A 1 209 ? 20.271 -4.780 1.421 1.00 34.37 ? 550 GLU A O 1 ATOM 1609 C CB . GLU A 1 209 ? 19.446 -2.154 2.698 1.00 34.29 ? 550 GLU A CB 1 ATOM 1610 C CG . GLU A 1 209 ? 19.026 -0.688 2.819 1.00 39.00 ? 550 GLU A CG 1 ATOM 1611 C CD . GLU A 1 209 ? 19.642 0.032 4.001 1.00 43.80 ? 550 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 209 ? 20.073 -0.640 4.961 1.00 44.01 ? 550 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 209 ? 19.682 1.282 3.973 1.00 48.07 ? 550 GLU A OE2 1 ATOM 1614 N N . ASN A 1 210 ? 18.036 -5.036 1.417 1.00 31.41 ? 551 ASN A N 1 ATOM 1615 C CA . ASN A 1 210 ? 18.118 -6.494 1.446 1.00 31.58 ? 551 ASN A CA 1 ATOM 1616 C C . ASN A 1 210 ? 17.429 -7.163 0.262 1.00 31.81 ? 551 ASN A C 1 ATOM 1617 O O . ASN A 1 210 ? 17.196 -8.374 0.265 1.00 32.48 ? 551 ASN A O 1 ATOM 1618 C CB . ASN A 1 210 ? 17.550 -7.007 2.765 1.00 30.44 ? 551 ASN A CB 1 ATOM 1619 C CG . ASN A 1 210 ? 18.399 -6.599 3.947 1.00 27.46 ? 551 ASN A CG 1 ATOM 1620 O OD1 . ASN A 1 210 ? 19.480 -7.141 4.167 1.00 29.36 ? 551 ASN A OD1 1 ATOM 1621 N ND2 . ASN A 1 210 ? 17.917 -5.633 4.709 1.00 25.68 ? 551 ASN A ND2 1 ATOM 1622 N N . THR A 1 211 ? 17.122 -6.363 -0.756 1.00 31.71 ? 552 THR A N 1 ATOM 1623 C CA . THR A 1 211 ? 16.475 -6.865 -1.957 1.00 28.79 ? 552 THR A CA 1 ATOM 1624 C C . THR A 1 211 ? 17.225 -6.439 -3.201 1.00 31.54 ? 552 THR A C 1 ATOM 1625 O O . THR A 1 211 ? 18.038 -5.515 -3.162 1.00 28.96 ? 552 THR A O 1 ATOM 1626 C CB . THR A 1 211 ? 15.040 -6.351 -2.068 1.00 26.50 ? 552 THR A CB 1 ATOM 1627 O OG1 . THR A 1 211 ? 15.046 -4.917 -2.064 1.00 25.29 ? 552 THR A OG1 1 ATOM 1628 C CG2 . THR A 1 211 ? 14.203 -6.875 -0.912 1.00 18.59 ? 552 THR A CG2 1 ATOM 1629 N N . ASN A 1 212 ? 16.941 -7.121 -4.307 1.00 34.47 ? 553 ASN A N 1 ATOM 1630 C CA . ASN A 1 212 ? 17.574 -6.798 -5.574 1.00 35.34 ? 553 ASN A CA 1 ATOM 1631 C C . ASN A 1 212 ? 19.096 -6.802 -5.448 1.00 36.07 ? 553 ASN A C 1 ATOM 1632 O O . ASN A 1 212 ? 19.768 -5.864 -5.884 1.00 35.51 ? 553 ASN A O 1 ATOM 1633 C CB . ASN A 1 212 ? 17.077 -5.430 -6.058 1.00 37.95 ? 553 ASN A CB 1 ATOM 1634 C CG . ASN A 1 212 ? 15.612 -5.454 -6.467 1.00 40.60 ? 553 ASN A CG 1 ATOM 1635 O OD1 . ASN A 1 212 ? 14.821 -6.242 -5.945 1.00 39.96 ? 553 ASN A OD1 1 ATOM 1636 N ND2 . ASN A 1 212 ? 15.243 -4.579 -7.399 1.00 44.70 ? 553 ASN A ND2 1 ATOM 1637 N N . GLY A 1 213 ? 19.617 -7.864 -4.837 1.00 35.60 ? 554 GLY A N 1 ATOM 1638 C CA . GLY A 1 213 ? 21.051 -8.036 -4.671 1.00 37.06 ? 554 GLY A CA 1 ATOM 1639 C C . GLY A 1 213 ? 21.851 -7.003 -3.890 1.00 37.94 ? 554 GLY A C 1 ATOM 1640 O O . GLY A 1 213 ? 23.075 -6.948 -4.017 1.00 36.45 ? 554 GLY A O 1 ATOM 1641 N N . GLU A 1 214 ? 21.185 -6.189 -3.077 1.00 39.27 ? 555 GLU A N 1 ATOM 1642 C CA . GLU A 1 214 ? 21.884 -5.187 -2.270 1.00 39.43 ? 555 GLU A CA 1 ATOM 1643 C C . GLU A 1 214 ? 22.588 -5.888 -1.114 1.00 39.82 ? 555 GLU A C 1 ATOM 1644 O O . GLU A 1 214 ? 23.616 -5.431 -0.632 1.00 38.70 ? 555 GLU A O 1 ATOM 1645 C CB . GLU A 1 214 ? 20.900 -4.145 -1.732 1.00 39.72 ? 555 GLU A CB 1 ATOM 1646 C CG . GLU A 1 214 ? 20.495 -3.094 -2.755 1.00 43.83 ? 555 GLU A CG 1 ATOM 1647 C CD . GLU A 1 214 ? 21.622 -2.124 -3.094 1.00 46.64 ? 555 GLU A CD 1 ATOM 1648 O OE1 . GLU A 1 214 ? 22.113 -1.424 -2.184 1.00 46.36 ? 555 GLU A OE1 1 ATOM 1649 O OE2 . GLU A 1 214 ? 22.018 -2.046 -4.275 1.00 50.64 ? 555 GLU A OE2 1 ATOM 1650 N N . SER A 1 215 ? 22.016 -7.002 -0.676 1.00 41.28 ? 556 SER A N 1 ATOM 1651 C CA . SER A 1 215 ? 22.594 -7.798 0.393 1.00 44.01 ? 556 SER A CA 1 ATOM 1652 C C . SER A 1 215 ? 23.121 -9.070 -0.247 1.00 46.76 ? 556 SER A C 1 ATOM 1653 O O . SER A 1 215 ? 22.412 -9.744 -0.995 1.00 49.01 ? 556 SER A O 1 ATOM 1654 C CB . SER A 1 215 ? 21.546 -8.147 1.447 1.00 43.69 ? 556 SER A CB 1 ATOM 1655 O OG . SER A 1 215 ? 22.099 -9.008 2.425 1.00 42.79 ? 556 SER A OG 1 ATOM 1656 N N . THR A 1 216 ? 24.373 -9.385 0.047 1.00 48.28 ? 557 THR A N 1 ATOM 1657 C CA . THR A 1 216 ? 25.018 -10.565 -0.505 1.00 49.49 ? 557 THR A CA 1 ATOM 1658 C C . THR A 1 216 ? 24.769 -11.774 0.385 1.00 48.78 ? 557 THR A C 1 ATOM 1659 O O . THR A 1 216 ? 25.277 -12.861 0.122 1.00 50.98 ? 557 THR A O 1 ATOM 1660 C CB . THR A 1 216 ? 26.528 -10.326 -0.641 1.00 52.59 ? 557 THR A CB 1 ATOM 1661 O OG1 . THR A 1 216 ? 27.138 -10.356 0.656 1.00 56.06 ? 557 THR A OG1 1 ATOM 1662 C CG2 . THR A 1 216 ? 26.778 -8.953 -1.271 1.00 54.42 ? 557 THR A CG2 1 ATOM 1663 N N . ALA A 1 217 ? 23.989 -11.580 1.442 1.00 45.99 ? 558 ALA A N 1 ATOM 1664 C CA . ALA A 1 217 ? 23.686 -12.666 2.360 1.00 44.13 ? 558 ALA A CA 1 ATOM 1665 C C . ALA A 1 217 ? 22.855 -13.722 1.642 1.00 43.74 ? 558 ALA A C 1 ATOM 1666 O O . ALA A 1 217 ? 22.075 -13.406 0.750 1.00 43.91 ? 558 ALA A O 1 ATOM 1667 C CB . ALA A 1 217 ? 22.950 -12.128 3.573 1.00 45.19 ? 558 ALA A CB 1 ATOM 1668 N N . ASP A 1 218 ? 23.043 -14.975 2.039 1.00 42.84 ? 559 ASP A N 1 ATOM 1669 C CA . ASP A 1 218 ? 22.354 -16.114 1.448 1.00 43.14 ? 559 ASP A CA 1 ATOM 1670 C C . ASP A 1 218 ? 20.828 -16.091 1.450 1.00 42.07 ? 559 ASP A C 1 ATOM 1671 O O . ASP A 1 218 ? 20.205 -16.544 0.487 1.00 41.20 ? 559 ASP A O 1 ATOM 1672 C CB . ASP A 1 218 ? 22.833 -17.386 2.130 1.00 47.22 ? 559 ASP A CB 1 ATOM 1673 C CG . ASP A 1 218 ? 23.105 -17.174 3.605 1.00 56.07 ? 559 ASP A CG 1 ATOM 1674 O OD1 . ASP A 1 218 ? 24.217 -16.714 3.946 1.00 60.32 ? 559 ASP A OD1 1 ATOM 1675 O OD2 . ASP A 1 218 ? 22.203 -17.446 4.427 1.00 58.66 ? 559 ASP A OD2 1 ATOM 1676 N N . TRP A 1 219 ? 20.219 -15.576 2.513 1.00 39.56 ? 560 TRP A N 1 ATOM 1677 C CA . TRP A 1 219 ? 18.764 -15.541 2.584 1.00 37.59 ? 560 TRP A CA 1 ATOM 1678 C C . TRP A 1 219 ? 18.178 -14.369 1.807 1.00 36.78 ? 560 TRP A C 1 ATOM 1679 O O . TRP A 1 219 ? 16.987 -14.360 1.488 1.00 36.21 ? 560 TRP A O 1 ATOM 1680 C CB . TRP A 1 219 ? 18.300 -15.477 4.046 1.00 36.61 ? 560 TRP A CB 1 ATOM 1681 C CG . TRP A 1 219 ? 18.842 -14.299 4.787 1.00 36.85 ? 560 TRP A CG 1 ATOM 1682 C CD1 . TRP A 1 219 ? 20.033 -14.220 5.446 1.00 36.70 ? 560 TRP A CD1 1 ATOM 1683 C CD2 . TRP A 1 219 ? 18.250 -13.002 4.865 1.00 36.01 ? 560 TRP A CD2 1 ATOM 1684 N NE1 . TRP A 1 219 ? 20.225 -12.949 5.925 1.00 34.18 ? 560 TRP A NE1 1 ATOM 1685 C CE2 . TRP A 1 219 ? 19.147 -12.177 5.581 1.00 34.83 ? 560 TRP A CE2 1 ATOM 1686 C CE3 . TRP A 1 219 ? 17.050 -12.450 4.391 1.00 35.30 ? 560 TRP A CE3 1 ATOM 1687 C CZ2 . TRP A 1 219 ? 18.880 -10.828 5.845 1.00 35.65 ? 560 TRP A CZ2 1 ATOM 1688 C CZ3 . TRP A 1 219 ? 16.781 -11.111 4.650 1.00 37.82 ? 560 TRP A CZ3 1 ATOM 1689 C CH2 . TRP A 1 219 ? 17.700 -10.311 5.370 1.00 36.93 ? 560 TRP A CH2 1 ATOM 1690 N N . ALA A 1 220 ? 19.022 -13.394 1.481 1.00 35.89 ? 561 ALA A N 1 ATOM 1691 C CA . ALA A 1 220 ? 18.568 -12.215 0.751 1.00 35.25 ? 561 ALA A CA 1 ATOM 1692 C C . ALA A 1 220 ? 18.965 -12.180 -0.725 1.00 36.10 ? 561 ALA A C 1 ATOM 1693 O O . ALA A 1 220 ? 18.375 -11.420 -1.494 1.00 35.35 ? 561 ALA A O 1 ATOM 1694 C CB . ALA A 1 220 ? 19.063 -10.946 1.446 1.00 34.54 ? 561 ALA A CB 1 ATOM 1695 N N . LYS A 1 221 ? 19.946 -12.996 -1.118 1.00 37.27 ? 562 LYS A N 1 ATOM 1696 C CA . LYS A 1 221 ? 20.426 -13.056 -2.507 1.00 36.91 ? 562 LYS A CA 1 ATOM 1697 C C . LYS A 1 221 ? 19.351 -12.887 -3.565 1.00 36.72 ? 562 LYS A C 1 ATOM 1698 O O . LYS A 1 221 ? 19.388 -11.960 -4.379 1.00 37.60 ? 562 LYS A O 1 ATOM 1699 C CB . LYS A 1 221 ? 21.091 -14.402 -2.824 1.00 37.95 ? 562 LYS A CB 1 ATOM 1700 C CG . LYS A 1 221 ? 22.395 -14.705 -2.153 1.00 39.81 ? 562 LYS A CG 1 ATOM 1701 C CD . LYS A 1 221 ? 23.091 -15.882 -2.855 1.00 41.94 ? 562 LYS A CD 1 ATOM 1702 C CE . LYS A 1 221 ? 22.166 -17.093 -2.983 1.00 42.83 ? 562 LYS A CE 1 ATOM 1703 N NZ . LYS A 1 221 ? 22.901 -18.391 -3.125 1.00 42.13 ? 562 LYS A NZ 1 ATOM 1704 N N . ASN A 1 222 ? 18.426 -13.841 -3.563 1.00 34.29 ? 563 ASN A N 1 ATOM 1705 C CA . ASN A 1 222 ? 17.338 -13.919 -4.524 1.00 34.91 ? 563 ASN A CA 1 ATOM 1706 C C . ASN A 1 222 ? 16.089 -13.102 -4.221 1.00 35.59 ? 563 ASN A C 1 ATOM 1707 O O . ASN A 1 222 ? 15.080 -13.242 -4.922 1.00 34.43 ? 563 ASN A O 1 ATOM 1708 C CB . ASN A 1 222 ? 16.941 -15.389 -4.703 1.00 35.81 ? 563 ASN A CB 1 ATOM 1709 C CG . ASN A 1 222 ? 17.956 -16.170 -5.518 1.00 39.26 ? 563 ASN A CG 1 ATOM 1710 O OD1 . ASN A 1 222 ? 18.282 -15.779 -6.630 1.00 42.09 ? 563 ASN A OD1 1 ATOM 1711 N ND2 . ASN A 1 222 ? 18.453 -17.276 -4.977 1.00 36.55 ? 563 ASN A ND2 1 ATOM 1712 N N . LEU A 1 223 ? 16.135 -12.254 -3.198 1.00 34.85 ? 564 LEU A N 1 ATOM 1713 C CA . LEU A 1 223 ? 14.953 -11.462 -2.865 1.00 33.86 ? 564 LEU A CA 1 ATOM 1714 C C . LEU A 1 223 ? 14.745 -10.324 -3.865 1.00 34.37 ? 564 LEU A C 1 ATOM 1715 O O . LEU A 1 223 ? 15.679 -9.591 -4.200 1.00 33.06 ? 564 LEU A O 1 ATOM 1716 C CB . LEU A 1 223 ? 15.063 -10.917 -1.446 1.00 32.87 ? 564 LEU A CB 1 ATOM 1717 C CG . LEU A 1 223 ? 15.059 -12.005 -0.368 1.00 34.04 ? 564 LEU A CG 1 ATOM 1718 C CD1 . LEU A 1 223 ? 15.054 -11.339 1.002 1.00 35.93 ? 564 LEU A CD1 1 ATOM 1719 C CD2 . LEU A 1 223 ? 13.834 -12.916 -0.522 1.00 29.10 ? 564 LEU A CD2 1 ATOM 1720 N N . LYS A 1 224 ? 13.506 -10.194 -4.334 1.00 34.62 ? 565 LYS A N 1 ATOM 1721 C CA . LYS A 1 224 ? 13.121 -9.195 -5.323 1.00 34.79 ? 565 LYS A CA 1 ATOM 1722 C C . LYS A 1 224 ? 12.129 -8.206 -4.710 1.00 34.70 ? 565 LYS A C 1 ATOM 1723 O O . LYS A 1 224 ? 11.132 -8.614 -4.122 1.00 35.39 ? 565 LYS A O 1 ATOM 1724 C CB . LYS A 1 224 ? 12.482 -9.919 -6.518 1.00 38.63 ? 565 LYS A CB 1 ATOM 1725 C CG . LYS A 1 224 ? 12.573 -9.199 -7.844 1.00 40.25 ? 565 LYS A CG 1 ATOM 1726 C CD . LYS A 1 224 ? 11.698 -7.970 -7.880 1.00 46.37 ? 565 LYS A CD 1 ATOM 1727 C CE . LYS A 1 224 ? 12.469 -6.822 -8.493 1.00 49.30 ? 565 LYS A CE 1 ATOM 1728 N NZ . LYS A 1 224 ? 11.698 -5.550 -8.548 1.00 47.15 ? 565 LYS A NZ 1 ATOM 1729 N N . ARG A 1 225 ? 12.397 -6.910 -4.860 1.00 33.48 ? 566 ARG A N 1 ATOM 1730 C CA . ARG A 1 225 ? 11.523 -5.870 -4.319 1.00 31.57 ? 566 ARG A CA 1 ATOM 1731 C C . ARG A 1 225 ? 10.074 -5.979 -4.737 1.00 33.25 ? 566 ARG A C 1 ATOM 1732 O O . ARG A 1 225 ? 9.173 -5.743 -3.937 1.00 35.31 ? 566 ARG A O 1 ATOM 1733 C CB . ARG A 1 225 ? 11.999 -4.489 -4.732 1.00 31.87 ? 566 ARG A CB 1 ATOM 1734 C CG . ARG A 1 225 ? 13.374 -4.164 -4.279 1.00 34.03 ? 566 ARG A CG 1 ATOM 1735 C CD . ARG A 1 225 ? 13.684 -2.708 -4.507 1.00 37.74 ? 566 ARG A CD 1 ATOM 1736 N NE . ARG A 1 225 ? 15.022 -2.404 -4.027 1.00 40.06 ? 566 ARG A NE 1 ATOM 1737 C CZ . ARG A 1 225 ? 16.046 -2.078 -4.805 1.00 40.85 ? 566 ARG A CZ 1 ATOM 1738 N NH1 . ARG A 1 225 ? 15.893 -1.997 -6.120 1.00 39.57 ? 566 ARG A NH1 1 ATOM 1739 N NH2 . ARG A 1 225 ? 17.236 -1.862 -4.261 1.00 43.38 ? 566 ARG A NH2 1 ATOM 1740 N N . GLU A 1 226 ? 9.840 -6.324 -5.994 1.00 36.80 ? 567 GLU A N 1 ATOM 1741 C CA . GLU A 1 226 ? 8.474 -6.424 -6.477 1.00 38.80 ? 567 GLU A CA 1 ATOM 1742 C C . GLU A 1 226 ? 7.651 -7.558 -5.883 1.00 37.20 ? 567 GLU A C 1 ATOM 1743 O O . GLU A 1 226 ? 6.457 -7.681 -6.170 1.00 36.16 ? 567 GLU A O 1 ATOM 1744 C CB . GLU A 1 226 ? 8.446 -6.500 -8.003 1.00 40.27 ? 567 GLU A CB 1 ATOM 1745 C CG . GLU A 1 226 ? 7.788 -5.274 -8.614 1.00 49.74 ? 567 GLU A CG 1 ATOM 1746 C CD . GLU A 1 226 ? 6.330 -5.115 -8.184 1.00 55.98 ? 567 GLU A CD 1 ATOM 1747 O OE1 . GLU A 1 226 ? 5.536 -6.051 -8.432 1.00 57.95 ? 567 GLU A OE1 1 ATOM 1748 O OE2 . GLU A 1 226 ? 5.972 -4.060 -7.603 1.00 54.51 ? 567 GLU A OE2 1 ATOM 1749 N N . ASP A 1 227 ? 8.274 -8.378 -5.044 1.00 34.96 ? 568 ASP A N 1 ATOM 1750 C CA . ASP A 1 227 ? 7.540 -9.469 -4.422 1.00 33.78 ? 568 ASP A CA 1 ATOM 1751 C C . ASP A 1 227 ? 7.074 -9.052 -3.045 1.00 31.22 ? 568 ASP A C 1 ATOM 1752 O O . ASP A 1 227 ? 6.511 -9.849 -2.300 1.00 28.65 ? 568 ASP A O 1 ATOM 1753 C CB . ASP A 1 227 ? 8.392 -10.727 -4.295 1.00 34.13 ? 568 ASP A CB 1 ATOM 1754 C CG . ASP A 1 227 ? 8.726 -11.331 -5.631 1.00 36.58 ? 568 ASP A CG 1 ATOM 1755 O OD1 . ASP A 1 227 ? 7.943 -11.128 -6.584 1.00 37.02 ? 568 ASP A OD1 1 ATOM 1756 O OD2 . ASP A 1 227 ? 9.760 -12.017 -5.729 1.00 37.43 ? 568 ASP A OD2 1 ATOM 1757 N N . PHE A 1 228 ? 7.312 -7.788 -2.719 1.00 29.50 ? 569 PHE A N 1 ATOM 1758 C CA . PHE A 1 228 ? 6.918 -7.243 -1.431 1.00 28.81 ? 569 PHE A CA 1 ATOM 1759 C C . PHE A 1 228 ? 5.900 -6.133 -1.607 1.00 27.54 ? 569 PHE A C 1 ATOM 1760 O O . PHE A 1 228 ? 5.797 -5.538 -2.688 1.00 26.63 ? 569 PHE A O 1 ATOM 1761 C CB . PHE A 1 228 ? 8.156 -6.751 -0.686 1.00 24.49 ? 569 PHE A CB 1 ATOM 1762 C CG . PHE A 1 228 ? 9.074 -7.859 -0.280 1.00 22.08 ? 569 PHE A CG 1 ATOM 1763 C CD1 . PHE A 1 228 ? 8.732 -8.712 0.764 1.00 23.50 ? 569 PHE A CD1 1 ATOM 1764 C CD2 . PHE A 1 228 ? 10.243 -8.096 -0.974 1.00 22.01 ? 569 PHE A CD2 1 ATOM 1765 C CE1 . PHE A 1 228 ? 9.549 -9.788 1.108 1.00 25.42 ? 569 PHE A CE1 1 ATOM 1766 C CE2 . PHE A 1 228 ? 11.069 -9.171 -0.638 1.00 25.52 ? 569 PHE A CE2 1 ATOM 1767 C CZ . PHE A 1 228 ? 10.723 -10.020 0.401 1.00 23.69 ? 569 PHE A CZ 1 ATOM 1768 N N . ARG A 1 229 ? 5.147 -5.877 -0.540 1.00 25.51 ? 570 ARG A N 1 ATOM 1769 C CA . ARG A 1 229 ? 4.109 -4.857 -0.544 1.00 23.38 ? 570 ARG A CA 1 ATOM 1770 C C . ARG A 1 229 ? 3.984 -4.221 0.832 1.00 22.01 ? 570 ARG A C 1 ATOM 1771 O O . ARG A 1 229 ? 4.124 -4.902 1.854 1.00 18.84 ? 570 ARG A O 1 ATOM 1772 C CB . ARG A 1 229 ? 2.767 -5.485 -0.934 1.00 25.40 ? 570 ARG A CB 1 ATOM 1773 C CG . ARG A 1 229 ? 2.656 -5.875 -2.402 1.00 29.89 ? 570 ARG A CG 1 ATOM 1774 C CD . ARG A 1 229 ? 2.382 -4.664 -3.281 1.00 32.67 ? 570 ARG A CD 1 ATOM 1775 N NE . ARG A 1 229 ? 2.211 -5.025 -4.684 1.00 34.89 ? 570 ARG A NE 1 ATOM 1776 C CZ . ARG A 1 229 ? 3.207 -5.118 -5.560 1.00 39.36 ? 570 ARG A CZ 1 ATOM 1777 N NH1 . ARG A 1 229 ? 4.456 -4.872 -5.185 1.00 41.03 ? 570 ARG A NH1 1 ATOM 1778 N NH2 . ARG A 1 229 ? 2.960 -5.460 -6.818 1.00 41.07 ? 570 ARG A NH2 1 ATOM 1779 N N . LEU A 1 230 ? 3.716 -2.919 0.850 1.00 22.12 ? 571 LEU A N 1 ATOM 1780 C CA . LEU A 1 230 ? 3.553 -2.190 2.095 1.00 16.33 ? 571 LEU A CA 1 ATOM 1781 C C . LEU A 1 230 ? 2.081 -2.214 2.433 1.00 19.55 ? 571 LEU A C 1 ATOM 1782 O O . LEU A 1 230 ? 1.242 -2.271 1.544 1.00 22.84 ? 571 LEU A O 1 ATOM 1783 C CB . LEU A 1 230 ? 3.990 -0.740 1.934 1.00 12.97 ? 571 LEU A CB 1 ATOM 1784 C CG . LEU A 1 230 ? 5.389 -0.475 1.389 1.00 13.10 ? 571 LEU A CG 1 ATOM 1785 C CD1 . LEU A 1 230 ? 5.505 0.997 1.054 1.00 14.75 ? 571 LEU A CD1 1 ATOM 1786 C CD2 . LEU A 1 230 ? 6.429 -0.891 2.402 1.00 14.23 ? 571 LEU A CD2 1 ATOM 1787 N N . LEU A 1 231 ? 1.768 -2.172 3.721 1.00 22.21 ? 572 LEU A N 1 ATOM 1788 C CA . LEU A 1 231 ? 0.390 -2.149 4.166 1.00 21.26 ? 572 LEU A CA 1 ATOM 1789 C C . LEU A 1 231 ? 0.137 -0.723 4.625 1.00 23.80 ? 572 LEU A C 1 ATOM 1790 O O . LEU A 1 231 ? 0.835 -0.229 5.501 1.00 23.31 ? 572 LEU A O 1 ATOM 1791 C CB . LEU A 1 231 ? 0.189 -3.134 5.319 1.00 23.45 ? 572 LEU A CB 1 ATOM 1792 C CG . LEU A 1 231 ? 0.418 -4.620 5.071 1.00 25.45 ? 572 LEU A CG 1 ATOM 1793 C CD1 . LEU A 1 231 ? -0.063 -5.414 6.282 1.00 22.17 ? 572 LEU A CD1 1 ATOM 1794 C CD2 . LEU A 1 231 ? -0.342 -5.048 3.822 1.00 27.09 ? 572 LEU A CD2 1 ATOM 1795 N N . CYS A 1 232 ? -0.842 -0.051 4.026 1.00 26.74 ? 573 CYS A N 1 ATOM 1796 C CA . CYS A 1 232 ? -1.127 1.325 4.421 1.00 28.33 ? 573 CYS A CA 1 ATOM 1797 C C . CYS A 1 232 ? -2.241 1.280 5.430 1.00 29.08 ? 573 CYS A C 1 ATOM 1798 O O . CYS A 1 232 ? -2.936 0.271 5.558 1.00 27.90 ? 573 CYS A O 1 ATOM 1799 C CB . CYS A 1 232 ? -1.575 2.191 3.245 1.00 27.49 ? 573 CYS A CB 1 ATOM 1800 S SG . CYS A 1 232 ? -0.789 1.738 1.684 1.00 26.64 ? 573 CYS A SG 1 ATOM 1801 N N . LEU A 1 233 ? -2.413 2.386 6.143 1.00 32.60 ? 574 LEU A N 1 ATOM 1802 C CA . LEU A 1 233 ? -3.446 2.464 7.159 1.00 33.30 ? 574 LEU A CA 1 ATOM 1803 C C . LEU A 1 233 ? -4.831 2.569 6.550 1.00 33.29 ? 574 LEU A C 1 ATOM 1804 O O . LEU A 1 233 ? -5.810 2.233 7.208 1.00 35.19 ? 574 LEU A O 1 ATOM 1805 C CB . LEU A 1 233 ? -3.182 3.639 8.097 1.00 32.28 ? 574 LEU A CB 1 ATOM 1806 C CG . LEU A 1 233 ? -1.973 3.419 9.011 1.00 32.32 ? 574 LEU A CG 1 ATOM 1807 C CD1 . LEU A 1 233 ? -1.826 4.582 9.972 1.00 30.54 ? 574 LEU A CD1 1 ATOM 1808 C CD2 . LEU A 1 233 ? -2.152 2.115 9.784 1.00 35.21 ? 574 LEU A CD2 1 ATOM 1809 N N . ASP A 1 234 ? -4.935 3.009 5.297 1.00 34.62 ? 575 ASP A N 1 ATOM 1810 C CA . ASP A 1 234 ? -6.262 3.091 4.690 1.00 35.42 ? 575 ASP A CA 1 ATOM 1811 C C . ASP A 1 234 ? -6.788 1.733 4.193 1.00 35.96 ? 575 ASP A C 1 ATOM 1812 O O . ASP A 1 234 ? -7.783 1.667 3.479 1.00 37.45 ? 575 ASP A O 1 ATOM 1813 C CB . ASP A 1 234 ? -6.303 4.145 3.565 1.00 31.25 ? 575 ASP A CB 1 ATOM 1814 C CG . ASP A 1 234 ? -5.465 3.775 2.364 1.00 31.41 ? 575 ASP A CG 1 ATOM 1815 O OD1 . ASP A 1 234 ? -4.946 2.641 2.318 1.00 33.49 ? 575 ASP A OD1 1 ATOM 1816 O OD2 . ASP A 1 234 ? -5.329 4.632 1.462 1.00 30.30 ? 575 ASP A OD2 1 ATOM 1817 N N . GLY A 1 235 ? -6.124 0.655 4.603 1.00 36.82 ? 576 GLY A N 1 ATOM 1818 C CA . GLY A 1 235 ? -6.531 -0.686 4.227 1.00 36.84 ? 576 GLY A CA 1 ATOM 1819 C C . GLY A 1 235 ? -6.123 -1.072 2.829 1.00 36.59 ? 576 GLY A C 1 ATOM 1820 O O . GLY A 1 235 ? -6.585 -2.073 2.299 1.00 40.54 ? 576 GLY A O 1 ATOM 1821 N N . THR A 1 236 ? -5.213 -0.306 2.248 1.00 34.89 ? 577 THR A N 1 ATOM 1822 C CA . THR A 1 236 ? -4.764 -0.533 0.876 1.00 32.64 ? 577 THR A CA 1 ATOM 1823 C C . THR A 1 236 ? -3.363 -1.167 0.851 1.00 32.00 ? 577 THR A C 1 ATOM 1824 O O . THR A 1 236 ? -2.724 -1.257 1.893 1.00 32.11 ? 577 THR A O 1 ATOM 1825 C CB . THR A 1 236 ? -4.814 0.837 0.135 1.00 32.08 ? 577 THR A CB 1 ATOM 1826 O OG1 . THR A 1 236 ? -5.831 0.804 -0.877 1.00 33.50 ? 577 THR A OG1 1 ATOM 1827 C CG2 . THR A 1 236 ? -3.465 1.199 -0.458 1.00 32.82 ? 577 THR A CG2 1 ATOM 1828 N N . ARG A 1 237 ? -2.899 -1.622 -0.317 1.00 29.52 ? 578 ARG A N 1 ATOM 1829 C CA . ARG A 1 237 ? -1.563 -2.230 -0.453 1.00 27.57 ? 578 ARG A CA 1 ATOM 1830 C C . ARG A 1 237 ? -0.801 -1.547 -1.591 1.00 29.84 ? 578 ARG A C 1 ATOM 1831 O O . ARG A 1 237 ? -1.305 -1.455 -2.706 1.00 30.55 ? 578 ARG A O 1 ATOM 1832 C CB . ARG A 1 237 ? -1.660 -3.724 -0.795 1.00 29.14 ? 578 ARG A CB 1 ATOM 1833 C CG . ARG A 1 237 ? -2.047 -4.660 0.338 1.00 29.76 ? 578 ARG A CG 1 ATOM 1834 C CD . ARG A 1 237 ? -2.690 -5.935 -0.215 1.00 28.47 ? 578 ARG A CD 1 ATOM 1835 N NE . ARG A 1 237 ? -1.802 -6.769 -1.027 1.00 28.72 ? 578 ARG A NE 1 ATOM 1836 C CZ . ARG A 1 237 ? -1.201 -7.875 -0.589 1.00 27.60 ? 578 ARG A CZ 1 ATOM 1837 N NH1 . ARG A 1 237 ? -1.382 -8.280 0.659 1.00 28.54 ? 578 ARG A NH1 1 ATOM 1838 N NH2 . ARG A 1 237 ? -0.449 -8.604 -1.404 1.00 24.95 ? 578 ARG A NH2 1 ATOM 1839 N N . LYS A 1 238 ? 0.421 -1.098 -1.334 1.00 31.55 ? 579 LYS A N 1 ATOM 1840 C CA . LYS A 1 238 ? 1.193 -0.427 -2.374 1.00 32.07 ? 579 LYS A CA 1 ATOM 1841 C C . LYS A 1 238 ? 2.602 -0.994 -2.556 1.00 30.77 ? 579 LYS A C 1 ATOM 1842 O O . LYS A 1 238 ? 3.122 -1.704 -1.692 1.00 29.80 ? 579 LYS A O 1 ATOM 1843 C CB . LYS A 1 238 ? 1.327 1.063 -2.069 1.00 33.56 ? 579 LYS A CB 1 ATOM 1844 C CG . LYS A 1 238 ? 0.019 1.835 -2.007 1.00 36.11 ? 579 LYS A CG 1 ATOM 1845 C CD . LYS A 1 238 ? 0.328 3.327 -2.021 1.00 42.15 ? 579 LYS A CD 1 ATOM 1846 C CE . LYS A 1 238 ? -0.929 4.166 -1.953 1.00 47.88 ? 579 LYS A CE 1 ATOM 1847 N NZ . LYS A 1 238 ? -0.556 5.588 -1.729 1.00 49.91 ? 579 LYS A NZ 1 ATOM 1848 N N . PRO A 1 239 ? 3.234 -0.696 -3.707 1.00 29.19 ? 580 PRO A N 1 ATOM 1849 C CA . PRO A 1 239 ? 4.593 -1.145 -4.031 1.00 29.54 ? 580 PRO A CA 1 ATOM 1850 C C . PRO A 1 239 ? 5.555 -0.508 -3.027 1.00 29.05 ? 580 PRO A C 1 ATOM 1851 O O . PRO A 1 239 ? 5.277 0.559 -2.496 1.00 29.39 ? 580 PRO A O 1 ATOM 1852 C CB . PRO A 1 239 ? 4.789 -0.622 -5.448 1.00 27.73 ? 580 PRO A CB 1 ATOM 1853 C CG . PRO A 1 239 ? 3.427 -0.803 -6.027 1.00 30.68 ? 580 PRO A CG 1 ATOM 1854 C CD . PRO A 1 239 ? 2.549 -0.235 -4.926 1.00 27.91 ? 580 PRO A CD 1 ATOM 1855 N N . VAL A 1 240 ? 6.675 -1.160 -2.751 1.00 29.94 ? 581 VAL A N 1 ATOM 1856 C CA . VAL A 1 240 ? 7.606 -0.618 -1.776 1.00 31.18 ? 581 VAL A CA 1 ATOM 1857 C C . VAL A 1 240 ? 8.142 0.733 -2.220 1.00 33.04 ? 581 VAL A C 1 ATOM 1858 O O . VAL A 1 240 ? 8.723 1.479 -1.424 1.00 37.91 ? 581 VAL A O 1 ATOM 1859 C CB . VAL A 1 240 ? 8.767 -1.589 -1.508 1.00 30.53 ? 581 VAL A CB 1 ATOM 1860 C CG1 . VAL A 1 240 ? 8.219 -2.993 -1.339 1.00 28.72 ? 581 VAL A CG1 1 ATOM 1861 C CG2 . VAL A 1 240 ? 9.778 -1.540 -2.627 1.00 32.00 ? 581 VAL A CG2 1 ATOM 1862 N N . THR A 1 241 ? 7.926 1.068 -3.486 1.00 32.82 ? 582 THR A N 1 ATOM 1863 C CA . THR A 1 241 ? 8.393 2.354 -4.013 1.00 30.22 ? 582 THR A CA 1 ATOM 1864 C C . THR A 1 241 ? 7.566 3.530 -3.492 1.00 28.65 ? 582 THR A C 1 ATOM 1865 O O . THR A 1 241 ? 7.963 4.679 -3.631 1.00 28.60 ? 582 THR A O 1 ATOM 1866 C CB . THR A 1 241 ? 8.344 2.376 -5.565 1.00 29.51 ? 582 THR A CB 1 ATOM 1867 O OG1 . THR A 1 241 ? 7.074 1.877 -6.004 1.00 28.04 ? 582 THR A OG1 1 ATOM 1868 C CG2 . THR A 1 241 ? 9.464 1.533 -6.155 1.00 29.44 ? 582 THR A CG2 1 ATOM 1869 N N . GLU A 1 242 ? 6.423 3.230 -2.884 1.00 29.90 ? 583 GLU A N 1 ATOM 1870 C CA . GLU A 1 242 ? 5.524 4.254 -2.366 1.00 30.38 ? 583 GLU A CA 1 ATOM 1871 C C . GLU A 1 242 ? 5.500 4.463 -0.861 1.00 30.11 ? 583 GLU A C 1 ATOM 1872 O O . GLU A 1 242 ? 4.443 4.773 -0.312 1.00 31.58 ? 583 GLU A O 1 ATOM 1873 C CB . GLU A 1 242 ? 4.088 3.960 -2.800 1.00 33.21 ? 583 GLU A CB 1 ATOM 1874 C CG . GLU A 1 242 ? 3.559 4.877 -3.864 1.00 40.60 ? 583 GLU A CG 1 ATOM 1875 C CD . GLU A 1 242 ? 4.189 4.600 -5.193 1.00 43.50 ? 583 GLU A CD 1 ATOM 1876 O OE1 . GLU A 1 242 ? 5.249 5.183 -5.503 1.00 46.82 ? 583 GLU A OE1 1 ATOM 1877 O OE2 . GLU A 1 242 ? 3.619 3.774 -5.926 1.00 50.30 ? 583 GLU A OE2 1 ATOM 1878 N N . ALA A 1 243 ? 6.626 4.315 -0.176 1.00 26.16 ? 584 ALA A N 1 ATOM 1879 C CA . ALA A 1 243 ? 6.593 4.493 1.266 1.00 26.94 ? 584 ALA A CA 1 ATOM 1880 C C . ALA A 1 243 ? 6.169 5.906 1.707 1.00 27.11 ? 584 ALA A C 1 ATOM 1881 O O . ALA A 1 243 ? 5.610 6.077 2.793 1.00 22.85 ? 584 ALA A O 1 ATOM 1882 C CB . ALA A 1 243 ? 7.948 4.121 1.864 1.00 31.56 ? 584 ALA A CB 1 ATOM 1883 N N . GLN A 1 244 ? 6.422 6.909 0.867 1.00 29.94 ? 585 GLN A N 1 ATOM 1884 C CA . GLN A 1 244 ? 6.063 8.295 1.188 1.00 32.16 ? 585 GLN A CA 1 ATOM 1885 C C . GLN A 1 244 ? 4.579 8.436 1.502 1.00 30.81 ? 585 GLN A C 1 ATOM 1886 O O . GLN A 1 244 ? 4.180 9.378 2.185 1.00 31.86 ? 585 GLN A O 1 ATOM 1887 C CB . GLN A 1 244 ? 6.377 9.254 0.021 1.00 36.04 ? 585 GLN A CB 1 ATOM 1888 C CG . GLN A 1 244 ? 7.562 10.235 0.176 1.00 41.54 ? 585 GLN A CG 1 ATOM 1889 C CD . GLN A 1 244 ? 7.891 10.623 1.615 1.00 50.05 ? 585 GLN A CD 1 ATOM 1890 O OE1 . GLN A 1 244 ? 7.021 11.029 2.394 1.00 54.35 ? 585 GLN A OE1 1 ATOM 1891 N NE2 . GLN A 1 244 ? 9.171 10.514 1.966 1.00 51.75 ? 585 GLN A NE2 1 ATOM 1892 N N . SER A 1 245 ? 3.762 7.521 0.989 1.00 28.23 ? 586 SER A N 1 ATOM 1893 C CA . SER A 1 245 ? 2.323 7.605 1.210 1.00 28.06 ? 586 SER A CA 1 ATOM 1894 C C . SER A 1 245 ? 1.686 6.351 1.800 1.00 28.54 ? 586 SER A C 1 ATOM 1895 O O . SER A 1 245 ? 0.458 6.234 1.845 1.00 27.27 ? 586 SER A O 1 ATOM 1896 C CB . SER A 1 245 ? 1.614 7.954 -0.098 1.00 28.37 ? 586 SER A CB 1 ATOM 1897 O OG . SER A 1 245 ? 1.914 7.018 -1.120 1.00 30.21 ? 586 SER A OG 1 ATOM 1898 N N . CYS A 1 246 ? 2.516 5.427 2.273 1.00 28.48 ? 587 CYS A N 1 ATOM 1899 C CA . CYS A 1 246 ? 2.016 4.188 2.850 1.00 27.28 ? 587 CYS A CA 1 ATOM 1900 C C . CYS A 1 246 ? 2.903 3.703 4.004 1.00 25.16 ? 587 CYS A C 1 ATOM 1901 O O . CYS A 1 246 ? 3.359 2.559 4.024 1.00 25.17 ? 587 CYS A O 1 ATOM 1902 C CB . CYS A 1 246 ? 1.924 3.131 1.750 1.00 26.91 ? 587 CYS A CB 1 ATOM 1903 S SG . CYS A 1 246 ? 1.158 1.543 2.199 1.00 27.77 ? 587 CYS A SG 1 ATOM 1904 N N . HIS A 1 247 ? 3.156 4.597 4.955 1.00 24.35 ? 588 HIS A N 1 ATOM 1905 C CA . HIS A 1 247 ? 3.958 4.283 6.136 1.00 22.41 ? 588 HIS A CA 1 ATOM 1906 C C . HIS A 1 247 ? 3.055 4.435 7.352 1.00 20.64 ? 588 HIS A C 1 ATOM 1907 O O . HIS A 1 247 ? 1.966 4.995 7.259 1.00 22.00 ? 588 HIS A O 1 ATOM 1908 C CB . HIS A 1 247 ? 5.143 5.231 6.265 1.00 18.83 ? 588 HIS A CB 1 ATOM 1909 C CG . HIS A 1 247 ? 4.769 6.675 6.179 1.00 21.55 ? 588 HIS A CG 1 ATOM 1910 N ND1 . HIS A 1 247 ? 4.850 7.394 5.005 1.00 24.22 ? 588 HIS A ND1 1 ATOM 1911 C CD2 . HIS A 1 247 ? 4.281 7.526 7.110 1.00 19.42 ? 588 HIS A CD2 1 ATOM 1912 C CE1 . HIS A 1 247 ? 4.427 8.626 5.218 1.00 21.99 ? 588 HIS A CE1 1 ATOM 1913 N NE2 . HIS A 1 247 ? 4.074 8.732 6.487 1.00 23.48 ? 588 HIS A NE2 1 ATOM 1914 N N . LEU A 1 248 ? 3.497 3.933 8.493 1.00 19.05 ? 589 LEU A N 1 ATOM 1915 C CA . LEU A 1 248 ? 2.681 4.021 9.687 1.00 20.82 ? 589 LEU A CA 1 ATOM 1916 C C . LEU A 1 248 ? 3.051 5.262 10.475 1.00 20.89 ? 589 LEU A C 1 ATOM 1917 O O . LEU A 1 248 ? 2.253 5.766 11.257 1.00 21.23 ? 589 LEU A O 1 ATOM 1918 C CB . LEU A 1 248 ? 2.865 2.770 10.553 1.00 19.32 ? 589 LEU A CB 1 ATOM 1919 C CG . LEU A 1 248 ? 2.734 1.421 9.834 1.00 21.08 ? 589 LEU A CG 1 ATOM 1920 C CD1 . LEU A 1 248 ? 2.790 0.298 10.859 1.00 14.71 ? 589 LEU A CD1 1 ATOM 1921 C CD2 . LEU A 1 248 ? 1.427 1.357 9.054 1.00 19.23 ? 589 LEU A CD2 1 ATOM 1922 N N . ALA A 1 249 ? 4.266 5.752 10.256 1.00 20.39 ? 590 ALA A N 1 ATOM 1923 C CA . ALA A 1 249 ? 4.746 6.931 10.955 1.00 22.03 ? 590 ALA A CA 1 ATOM 1924 C C . ALA A 1 249 ? 6.182 7.212 10.593 1.00 21.27 ? 590 ALA A C 1 ATOM 1925 O O . ALA A 1 249 ? 6.873 6.346 10.069 1.00 20.90 ? 590 ALA A O 1 ATOM 1926 C CB . ALA A 1 249 ? 4.640 6.723 12.457 1.00 21.74 ? 590 ALA A CB 1 ATOM 1927 N N . VAL A 1 250 ? 6.624 8.431 10.870 1.00 21.56 ? 591 VAL A N 1 ATOM 1928 C CA . VAL A 1 250 ? 7.999 8.813 10.610 1.00 25.38 ? 591 VAL A CA 1 ATOM 1929 C C . VAL A 1 250 ? 8.651 8.853 11.980 1.00 26.52 ? 591 VAL A C 1 ATOM 1930 O O . VAL A 1 250 ? 8.210 9.574 12.874 1.00 28.62 ? 591 VAL A O 1 ATOM 1931 C CB . VAL A 1 250 ? 8.077 10.181 9.904 1.00 25.39 ? 591 VAL A CB 1 ATOM 1932 C CG1 . VAL A 1 250 ? 6.810 10.951 10.131 1.00 28.02 ? 591 VAL A CG1 1 ATOM 1933 C CG2 . VAL A 1 250 ? 9.289 10.957 10.396 1.00 21.19 ? 591 VAL A CG2 1 ATOM 1934 N N . ALA A 1 251 ? 9.701 8.058 12.138 1.00 27.22 ? 592 ALA A N 1 ATOM 1935 C CA . ALA A 1 251 ? 10.383 7.942 13.410 1.00 24.60 ? 592 ALA A CA 1 ATOM 1936 C C . ALA A 1 251 ? 11.621 8.792 13.562 1.00 22.79 ? 592 ALA A C 1 ATOM 1937 O O . ALA A 1 251 ? 12.288 9.125 12.585 1.00 25.13 ? 592 ALA A O 1 ATOM 1938 C CB . ALA A 1 251 ? 10.747 6.473 13.648 1.00 26.50 ? 592 ALA A CB 1 ATOM 1939 N N . PRO A 1 252 ? 11.935 9.188 14.802 1.00 19.50 ? 593 PRO A N 1 ATOM 1940 C CA . PRO A 1 252 ? 13.149 9.989 14.956 1.00 18.51 ? 593 PRO A CA 1 ATOM 1941 C C . PRO A 1 252 ? 14.368 9.056 14.823 1.00 18.56 ? 593 PRO A C 1 ATOM 1942 O O . PRO A 1 252 ? 14.316 7.883 15.208 1.00 17.24 ? 593 PRO A O 1 ATOM 1943 C CB . PRO A 1 252 ? 12.989 10.595 16.348 1.00 19.15 ? 593 PRO A CB 1 ATOM 1944 C CG . PRO A 1 252 ? 12.145 9.581 17.073 1.00 20.19 ? 593 PRO A CG 1 ATOM 1945 C CD . PRO A 1 252 ? 11.148 9.138 16.049 1.00 18.20 ? 593 PRO A CD 1 ATOM 1946 N N . ASN A 1 253 ? 15.454 9.568 14.265 1.00 18.32 ? 594 ASN A N 1 ATOM 1947 C CA . ASN A 1 253 ? 16.650 8.763 14.070 1.00 19.68 ? 594 ASN A CA 1 ATOM 1948 C C . ASN A 1 253 ? 17.230 8.183 15.347 1.00 19.86 ? 594 ASN A C 1 ATOM 1949 O O . ASN A 1 253 ? 17.019 8.715 16.445 1.00 19.25 ? 594 ASN A O 1 ATOM 1950 C CB . ASN A 1 253 ? 17.749 9.589 13.393 1.00 20.90 ? 594 ASN A CB 1 ATOM 1951 C CG . ASN A 1 253 ? 17.396 9.994 11.984 1.00 24.58 ? 594 ASN A CG 1 ATOM 1952 O OD1 . ASN A 1 253 ? 16.448 9.470 11.388 1.00 30.79 ? 594 ASN A OD1 1 ATOM 1953 N ND2 . ASN A 1 253 ? 18.170 10.915 11.429 1.00 20.93 ? 594 ASN A ND2 1 ATOM 1954 N N . HIS A 1 254 ? 17.968 7.087 15.200 1.00 16.88 ? 595 HIS A N 1 ATOM 1955 C CA . HIS A 1 254 ? 18.627 6.494 16.348 1.00 17.34 ? 595 HIS A CA 1 ATOM 1956 C C . HIS A 1 254 ? 19.688 7.510 16.703 1.00 18.73 ? 595 HIS A C 1 ATOM 1957 O O . HIS A 1 254 ? 20.241 8.179 15.825 1.00 18.60 ? 595 HIS A O 1 ATOM 1958 C CB . HIS A 1 254 ? 19.290 5.162 15.985 1.00 13.19 ? 595 HIS A CB 1 ATOM 1959 C CG . HIS A 1 254 ? 18.314 4.053 15.754 1.00 12.44 ? 595 HIS A CG 1 ATOM 1960 N ND1 . HIS A 1 254 ? 18.697 2.744 15.572 1.00 14.39 ? 595 HIS A ND1 1 ATOM 1961 C CD2 . HIS A 1 254 ? 16.965 4.066 15.648 1.00 16.07 ? 595 HIS A CD2 1 ATOM 1962 C CE1 . HIS A 1 254 ? 17.628 1.998 15.364 1.00 17.86 ? 595 HIS A CE1 1 ATOM 1963 N NE2 . HIS A 1 254 ? 16.562 2.777 15.404 1.00 17.32 ? 595 HIS A NE2 1 ATOM 1964 N N . ALA A 1 255 ? 19.989 7.624 17.986 1.00 18.98 ? 596 ALA A N 1 ATOM 1965 C CA . ALA A 1 255 ? 20.988 8.588 18.401 1.00 17.30 ? 596 ALA A CA 1 ATOM 1966 C C . ALA A 1 255 ? 21.827 8.074 19.556 1.00 16.77 ? 596 ALA A C 1 ATOM 1967 O O . ALA A 1 255 ? 21.408 7.177 20.295 1.00 13.98 ? 596 ALA A O 1 ATOM 1968 C CB . ALA A 1 255 ? 20.302 9.893 18.799 1.00 15.04 ? 596 ALA A CB 1 ATOM 1969 N N . VAL A 1 256 ? 23.019 8.646 19.686 1.00 18.38 ? 597 VAL A N 1 ATOM 1970 C CA . VAL A 1 256 ? 23.937 8.313 20.760 1.00 19.75 ? 597 VAL A CA 1 ATOM 1971 C C . VAL A 1 256 ? 23.465 9.021 22.039 1.00 20.53 ? 597 VAL A C 1 ATOM 1972 O O . VAL A 1 256 ? 23.194 10.228 22.022 1.00 18.76 ? 597 VAL A O 1 ATOM 1973 C CB . VAL A 1 256 ? 25.363 8.831 20.442 1.00 20.71 ? 597 VAL A CB 1 ATOM 1974 C CG1 . VAL A 1 256 ? 26.266 8.617 21.649 1.00 23.26 ? 597 VAL A CG1 1 ATOM 1975 C CG2 . VAL A 1 256 ? 25.928 8.137 19.220 1.00 16.59 ? 597 VAL A CG2 1 ATOM 1976 N N . VAL A 1 257 ? 23.326 8.276 23.131 1.00 20.46 ? 598 VAL A N 1 ATOM 1977 C CA . VAL A 1 257 ? 22.955 8.900 24.399 1.00 24.17 ? 598 VAL A CA 1 ATOM 1978 C C . VAL A 1 257 ? 24.064 8.708 25.427 1.00 24.50 ? 598 VAL A C 1 ATOM 1979 O O . VAL A 1 257 ? 24.916 7.817 25.297 1.00 23.44 ? 598 VAL A O 1 ATOM 1980 C CB . VAL A 1 257 ? 21.637 8.344 25.021 1.00 23.14 ? 598 VAL A CB 1 ATOM 1981 C CG1 . VAL A 1 257 ? 20.462 8.687 24.148 1.00 22.45 ? 598 VAL A CG1 1 ATOM 1982 C CG2 . VAL A 1 257 ? 21.739 6.865 25.250 1.00 25.65 ? 598 VAL A CG2 1 ATOM 1983 N N . SER A 1 258 ? 24.056 9.568 26.439 1.00 22.88 ? 599 SER A N 1 ATOM 1984 C CA . SER A 1 258 ? 25.052 9.506 27.497 1.00 23.91 ? 599 SER A CA 1 ATOM 1985 C C . SER A 1 258 ? 24.475 10.221 28.703 1.00 24.56 ? 599 SER A C 1 ATOM 1986 O O . SER A 1 258 ? 23.390 10.800 28.630 1.00 26.99 ? 599 SER A O 1 ATOM 1987 C CB . SER A 1 258 ? 26.332 10.222 27.065 1.00 21.75 ? 599 SER A CB 1 ATOM 1988 O OG . SER A 1 258 ? 26.160 11.625 27.174 1.00 21.81 ? 599 SER A OG 1 ATOM 1989 N N . ARG A 1 259 ? 25.186 10.166 29.821 1.00 23.87 ? 600 ARG A N 1 ATOM 1990 C CA . ARG A 1 259 ? 24.734 10.877 31.000 1.00 24.07 ? 600 ARG A CA 1 ATOM 1991 C C . ARG A 1 259 ? 25.090 12.329 30.682 1.00 24.62 ? 600 ARG A C 1 ATOM 1992 O O . ARG A 1 259 ? 26.092 12.586 30.003 1.00 19.72 ? 600 ARG A O 1 ATOM 1993 C CB . ARG A 1 259 ? 25.479 10.379 32.244 1.00 25.77 ? 600 ARG A CB 1 ATOM 1994 C CG . ARG A 1 259 ? 24.560 9.844 33.342 1.00 29.35 ? 600 ARG A CG 1 ATOM 1995 C CD . ARG A 1 259 ? 25.318 9.064 34.409 1.00 27.99 ? 600 ARG A CD 1 ATOM 1996 N NE . ARG A 1 259 ? 26.385 9.849 35.021 1.00 28.05 ? 600 ARG A NE 1 ATOM 1997 C CZ . ARG A 1 259 ? 27.142 9.415 36.025 1.00 26.48 ? 600 ARG A CZ 1 ATOM 1998 N NH1 . ARG A 1 259 ? 26.948 8.204 36.527 1.00 26.58 ? 600 ARG A NH1 1 ATOM 1999 N NH2 . ARG A 1 259 ? 28.086 10.192 36.535 1.00 25.30 ? 600 ARG A NH2 1 ATOM 2000 N N . SER A 1 260 ? 24.283 13.275 31.154 1.00 24.93 ? 601 SER A N 1 ATOM 2001 C CA . SER A 1 260 ? 24.551 14.671 30.851 1.00 30.23 ? 601 SER A CA 1 ATOM 2002 C C . SER A 1 260 ? 25.887 15.190 31.358 1.00 29.02 ? 601 SER A C 1 ATOM 2003 O O . SER A 1 260 ? 26.472 16.068 30.737 1.00 29.16 ? 601 SER A O 1 ATOM 2004 C CB . SER A 1 260 ? 23.401 15.557 31.338 1.00 30.66 ? 601 SER A CB 1 ATOM 2005 O OG . SER A 1 260 ? 22.882 15.095 32.572 1.00 38.49 ? 601 SER A OG 1 ATOM 2006 N N . ASP A 1 261 ? 26.394 14.653 32.459 1.00 29.11 ? 602 ASP A N 1 ATOM 2007 C CA . ASP A 1 261 ? 27.675 15.129 32.945 1.00 30.66 ? 602 ASP A CA 1 ATOM 2008 C C . ASP A 1 261 ? 28.819 14.576 32.086 1.00 30.31 ? 602 ASP A C 1 ATOM 2009 O O . ASP A 1 261 ? 29.990 14.895 32.298 1.00 34.50 ? 602 ASP A O 1 ATOM 2010 C CB . ASP A 1 261 ? 27.857 14.799 34.454 1.00 30.91 ? 602 ASP A CB 1 ATOM 2011 C CG . ASP A 1 261 ? 27.865 13.293 34.766 1.00 33.07 ? 602 ASP A CG 1 ATOM 2012 O OD1 . ASP A 1 261 ? 26.912 12.579 34.401 1.00 35.07 ? 602 ASP A OD1 1 ATOM 2013 O OD2 . ASP A 1 261 ? 28.840 12.831 35.398 1.00 33.04 ? 602 ASP A OD2 1 ATOM 2014 N N . ARG A 1 262 ? 28.457 13.791 31.075 1.00 30.04 ? 603 ARG A N 1 ATOM 2015 C CA . ARG A 1 262 ? 29.425 13.172 30.169 1.00 29.22 ? 603 ARG A CA 1 ATOM 2016 C C . ARG A 1 262 ? 29.288 13.609 28.718 1.00 26.41 ? 603 ARG A C 1 ATOM 2017 O O . ARG A 1 262 ? 30.237 13.486 27.948 1.00 28.88 ? 603 ARG A O 1 ATOM 2018 C CB . ARG A 1 262 ? 29.301 11.643 30.221 1.00 30.67 ? 603 ARG A CB 1 ATOM 2019 C CG . ARG A 1 262 ? 29.477 11.068 31.601 1.00 32.58 ? 603 ARG A CG 1 ATOM 2020 C CD . ARG A 1 262 ? 30.850 11.425 32.096 1.00 36.47 ? 603 ARG A CD 1 ATOM 2021 N NE . ARG A 1 262 ? 31.864 10.788 31.270 1.00 39.21 ? 603 ARG A NE 1 ATOM 2022 C CZ . ARG A 1 262 ? 33.091 11.268 31.104 1.00 43.56 ? 603 ARG A CZ 1 ATOM 2023 N NH1 . ARG A 1 262 ? 33.455 12.395 31.706 1.00 43.65 ? 603 ARG A NH1 1 ATOM 2024 N NH2 . ARG A 1 262 ? 33.959 10.624 30.336 1.00 44.86 ? 603 ARG A NH2 1 ATOM 2025 N N . ALA A 1 263 ? 28.113 14.110 28.347 1.00 24.97 ? 604 ALA A N 1 ATOM 2026 C CA . ALA A 1 263 ? 27.830 14.540 26.972 1.00 22.73 ? 604 ALA A CA 1 ATOM 2027 C C . ALA A 1 263 ? 28.877 15.381 26.248 1.00 22.89 ? 604 ALA A C 1 ATOM 2028 O O . ALA A 1 263 ? 29.227 15.081 25.109 1.00 28.22 ? 604 ALA A O 1 ATOM 2029 C CB . ALA A 1 263 ? 26.493 15.259 26.926 1.00 22.03 ? 604 ALA A CB 1 ATOM 2030 N N . ALA A 1 264 ? 29.365 16.440 26.879 1.00 23.88 ? 605 ALA A N 1 ATOM 2031 C CA . ALA A 1 264 ? 30.365 17.288 26.229 1.00 25.65 ? 605 ALA A CA 1 ATOM 2032 C C . ALA A 1 264 ? 31.577 16.476 25.819 1.00 25.50 ? 605 ALA A C 1 ATOM 2033 O O . ALA A 1 264 ? 32.128 16.655 24.732 1.00 23.98 ? 605 ALA A O 1 ATOM 2034 C CB . ALA A 1 264 ? 30.798 18.415 27.162 1.00 27.30 ? 605 ALA A CB 1 ATOM 2035 N N . HIS A 1 265 ? 31.979 15.574 26.704 1.00 28.33 ? 606 HIS A N 1 ATOM 2036 C CA . HIS A 1 265 ? 33.134 14.724 26.472 1.00 33.24 ? 606 HIS A CA 1 ATOM 2037 C C . HIS A 1 265 ? 32.874 13.634 25.439 1.00 31.74 ? 606 HIS A C 1 ATOM 2038 O O . HIS A 1 265 ? 33.742 13.327 24.615 1.00 29.39 ? 606 HIS A O 1 ATOM 2039 C CB . HIS A 1 265 ? 33.590 14.076 27.781 1.00 40.84 ? 606 HIS A CB 1 ATOM 2040 C CG . HIS A 1 265 ? 34.947 13.448 27.693 1.00 52.97 ? 606 HIS A CG 1 ATOM 2041 N ND1 . HIS A 1 265 ? 35.165 12.106 27.929 1.00 54.01 ? 606 HIS A ND1 1 ATOM 2042 C CD2 . HIS A 1 265 ? 36.152 13.973 27.357 1.00 54.20 ? 606 HIS A CD2 1 ATOM 2043 C CE1 . HIS A 1 265 ? 36.443 11.830 27.738 1.00 56.54 ? 606 HIS A CE1 1 ATOM 2044 N NE2 . HIS A 1 265 ? 37.063 12.945 27.392 1.00 58.54 ? 606 HIS A NE2 1 ATOM 2045 N N . VAL A 1 266 ? 31.689 13.040 25.483 1.00 29.80 ? 607 VAL A N 1 ATOM 2046 C CA . VAL A 1 266 ? 31.360 11.987 24.535 1.00 28.46 ? 607 VAL A CA 1 ATOM 2047 C C . VAL A 1 266 ? 31.280 12.595 23.147 1.00 29.28 ? 607 VAL A C 1 ATOM 2048 O O . VAL A 1 266 ? 31.826 12.052 22.194 1.00 28.06 ? 607 VAL A O 1 ATOM 2049 C CB . VAL A 1 266 ? 30.015 11.323 24.887 1.00 26.32 ? 607 VAL A CB 1 ATOM 2050 C CG1 . VAL A 1 266 ? 29.536 10.467 23.735 1.00 21.77 ? 607 VAL A CG1 1 ATOM 2051 C CG2 . VAL A 1 266 ? 30.176 10.465 26.138 1.00 23.68 ? 607 VAL A CG2 1 ATOM 2052 N N . GLU A 1 267 ? 30.614 13.742 23.053 1.00 31.41 ? 608 GLU A N 1 ATOM 2053 C CA . GLU A 1 267 ? 30.436 14.446 21.788 1.00 33.66 ? 608 GLU A CA 1 ATOM 2054 C C . GLU A 1 267 ? 31.747 14.740 21.071 1.00 33.77 ? 608 GLU A C 1 ATOM 2055 O O . GLU A 1 267 ? 31.911 14.411 19.901 1.00 35.40 ? 608 GLU A O 1 ATOM 2056 C CB . GLU A 1 267 ? 29.678 15.757 22.026 1.00 33.95 ? 608 GLU A CB 1 ATOM 2057 C CG . GLU A 1 267 ? 29.224 16.460 20.759 1.00 36.39 ? 608 GLU A CG 1 ATOM 2058 C CD . GLU A 1 267 ? 28.513 17.770 21.048 1.00 41.55 ? 608 GLU A CD 1 ATOM 2059 O OE1 . GLU A 1 267 ? 27.624 17.783 21.932 1.00 43.64 ? 608 GLU A OE1 1 ATOM 2060 O OE2 . GLU A 1 267 ? 28.838 18.787 20.395 1.00 43.72 ? 608 GLU A OE2 1 ATOM 2061 N N . GLN A 1 268 ? 32.673 15.376 21.780 1.00 36.76 ? 609 GLN A N 1 ATOM 2062 C CA . GLN A 1 268 ? 33.979 15.738 21.230 1.00 37.18 ? 609 GLN A CA 1 ATOM 2063 C C . GLN A 1 268 ? 34.773 14.549 20.687 1.00 33.88 ? 609 GLN A C 1 ATOM 2064 O O . GLN A 1 268 ? 35.267 14.580 19.561 1.00 34.58 ? 609 GLN A O 1 ATOM 2065 C CB . GLN A 1 268 ? 34.793 16.445 22.307 1.00 40.33 ? 609 GLN A CB 1 ATOM 2066 C CG . GLN A 1 268 ? 36.265 16.586 22.011 1.00 51.66 ? 609 GLN A CG 1 ATOM 2067 C CD . GLN A 1 268 ? 37.043 16.979 23.250 1.00 58.44 ? 609 GLN A CD 1 ATOM 2068 O OE1 . GLN A 1 268 ? 36.981 18.125 23.701 1.00 60.23 ? 609 GLN A OE1 1 ATOM 2069 N NE2 . GLN A 1 268 ? 37.764 16.018 23.824 1.00 59.70 ? 609 GLN A NE2 1 ATOM 2070 N N . VAL A 1 269 ? 34.913 13.512 21.502 1.00 30.61 ? 610 VAL A N 1 ATOM 2071 C CA . VAL A 1 269 ? 35.643 12.319 21.099 1.00 28.10 ? 610 VAL A CA 1 ATOM 2072 C C . VAL A 1 269 ? 34.999 11.651 19.892 1.00 27.11 ? 610 VAL A C 1 ATOM 2073 O O . VAL A 1 269 ? 35.687 11.131 19.025 1.00 27.72 ? 610 VAL A O 1 ATOM 2074 C CB . VAL A 1 269 ? 35.708 11.263 22.250 1.00 28.00 ? 610 VAL A CB 1 ATOM 2075 C CG1 . VAL A 1 269 ? 36.227 9.921 21.708 1.00 22.54 ? 610 VAL A CG1 1 ATOM 2076 C CG2 . VAL A 1 269 ? 36.613 11.767 23.374 1.00 22.55 ? 610 VAL A CG2 1 ATOM 2077 N N . LEU A 1 270 ? 33.676 11.657 19.846 1.00 26.63 ? 611 LEU A N 1 ATOM 2078 C CA . LEU A 1 270 ? 32.952 11.021 18.761 1.00 26.27 ? 611 LEU A CA 1 ATOM 2079 C C . LEU A 1 270 ? 33.156 11.702 17.416 1.00 29.03 ? 611 LEU A C 1 ATOM 2080 O O . LEU A 1 270 ? 33.343 11.015 16.406 1.00 28.74 ? 611 LEU A O 1 ATOM 2081 C CB . LEU A 1 270 ? 31.464 10.958 19.106 1.00 26.25 ? 611 LEU A CB 1 ATOM 2082 C CG . LEU A 1 270 ? 30.838 9.571 19.122 1.00 26.63 ? 611 LEU A CG 1 ATOM 2083 C CD1 . LEU A 1 270 ? 31.716 8.627 19.907 1.00 29.67 ? 611 LEU A CD1 1 ATOM 2084 C CD2 . LEU A 1 270 ? 29.446 9.645 19.718 1.00 29.28 ? 611 LEU A CD2 1 ATOM 2085 N N . LEU A 1 271 ? 33.115 13.036 17.385 1.00 29.11 ? 612 LEU A N 1 ATOM 2086 C CA . LEU A 1 271 ? 33.307 13.761 16.122 1.00 29.69 ? 612 LEU A CA 1 ATOM 2087 C C . LEU A 1 271 ? 34.706 13.508 15.537 1.00 30.62 ? 612 LEU A C 1 ATOM 2088 O O . LEU A 1 271 ? 34.863 13.391 14.323 1.00 30.59 ? 612 LEU A O 1 ATOM 2089 C CB . LEU A 1 271 ? 33.075 15.261 16.325 1.00 28.27 ? 612 LEU A CB 1 ATOM 2090 C CG . LEU A 1 271 ? 31.626 15.661 16.672 1.00 29.20 ? 612 LEU A CG 1 ATOM 2091 C CD1 . LEU A 1 271 ? 31.590 17.051 17.269 1.00 27.89 ? 612 LEU A CD1 1 ATOM 2092 C CD2 . LEU A 1 271 ? 30.753 15.577 15.427 1.00 29.62 ? 612 LEU A CD2 1 ATOM 2093 N N . HIS A 1 272 ? 35.712 13.410 16.404 1.00 31.27 ? 613 HIS A N 1 ATOM 2094 C CA . HIS A 1 272 ? 37.083 13.137 15.975 1.00 33.10 ? 613 HIS A CA 1 ATOM 2095 C C . HIS A 1 272 ? 37.160 11.710 15.470 1.00 33.05 ? 613 HIS A C 1 ATOM 2096 O O . HIS A 1 272 ? 37.695 11.444 14.405 1.00 35.10 ? 613 HIS A O 1 ATOM 2097 C CB . HIS A 1 272 ? 38.039 13.332 17.151 1.00 38.91 ? 613 HIS A CB 1 ATOM 2098 C CG . HIS A 1 272 ? 39.398 12.722 16.959 1.00 47.23 ? 613 HIS A CG 1 ATOM 2099 N ND1 . HIS A 1 272 ? 39.964 11.878 17.892 1.00 47.95 ? 613 HIS A ND1 1 ATOM 2100 C CD2 . HIS A 1 272 ? 40.325 12.875 15.982 1.00 49.32 ? 613 HIS A CD2 1 ATOM 2101 C CE1 . HIS A 1 272 ? 41.181 11.540 17.501 1.00 50.04 ? 613 HIS A CE1 1 ATOM 2102 N NE2 . HIS A 1 272 ? 41.424 12.133 16.345 1.00 50.94 ? 613 HIS A NE2 1 ATOM 2103 N N . GLN A 1 273 ? 36.613 10.786 16.246 1.00 32.46 ? 614 GLN A N 1 ATOM 2104 C CA . GLN A 1 273 ? 36.601 9.381 15.863 1.00 30.48 ? 614 GLN A CA 1 ATOM 2105 C C . GLN A 1 273 ? 35.930 9.214 14.503 1.00 32.13 ? 614 GLN A C 1 ATOM 2106 O O . GLN A 1 273 ? 36.344 8.400 13.677 1.00 30.55 ? 614 GLN A O 1 ATOM 2107 C CB . GLN A 1 273 ? 35.842 8.550 16.909 1.00 30.23 ? 614 GLN A CB 1 ATOM 2108 C CG . GLN A 1 273 ? 36.636 8.220 18.154 1.00 27.83 ? 614 GLN A CG 1 ATOM 2109 C CD . GLN A 1 273 ? 37.867 7.370 17.850 1.00 28.57 ? 614 GLN A CD 1 ATOM 2110 O OE1 . GLN A 1 273 ? 37.764 6.324 17.208 1.00 26.31 ? 614 GLN A OE1 1 ATOM 2111 N NE2 . GLN A 1 273 ? 39.035 7.814 18.319 1.00 24.42 ? 614 GLN A NE2 1 ATOM 2112 N N . GLN A 1 274 ? 34.884 10.004 14.297 1.00 32.67 ? 615 GLN A N 1 ATOM 2113 C CA . GLN A 1 274 ? 34.095 10.003 13.075 1.00 33.81 ? 615 GLN A CA 1 ATOM 2114 C C . GLN A 1 274 ? 34.883 10.515 11.872 1.00 37.14 ? 615 GLN A C 1 ATOM 2115 O O . GLN A 1 274 ? 34.699 10.044 10.748 1.00 37.02 ? 615 GLN A O 1 ATOM 2116 C CB . GLN A 1 274 ? 32.827 10.833 13.313 1.00 30.79 ? 615 GLN A CB 1 ATOM 2117 C CG . GLN A 1 274 ? 32.329 11.685 12.166 1.00 29.42 ? 615 GLN A CG 1 ATOM 2118 C CD . GLN A 1 274 ? 30.846 11.972 12.291 1.00 33.10 ? 615 GLN A CD 1 ATOM 2119 O OE1 . GLN A 1 274 ? 30.016 11.100 12.036 1.00 34.78 ? 615 GLN A OE1 1 ATOM 2120 N NE2 . GLN A 1 274 ? 30.504 13.189 12.695 1.00 36.28 ? 615 GLN A NE2 1 ATOM 2121 N N . ALA A 1 275 ? 35.775 11.469 12.102 1.00 38.80 ? 616 ALA A N 1 ATOM 2122 C CA . ALA A 1 275 ? 36.573 12.005 11.011 1.00 37.26 ? 616 ALA A CA 1 ATOM 2123 C C . ALA A 1 275 ? 37.613 10.971 10.602 1.00 36.15 ? 616 ALA A C 1 ATOM 2124 O O . ALA A 1 275 ? 38.196 11.055 9.526 1.00 38.52 ? 616 ALA A O 1 ATOM 2125 C CB . ALA A 1 275 ? 37.256 13.302 11.449 1.00 36.43 ? 616 ALA A CB 1 ATOM 2126 N N . LEU A 1 276 ? 37.821 9.986 11.469 1.00 35.41 ? 617 LEU A N 1 ATOM 2127 C CA . LEU A 1 276 ? 38.785 8.918 11.229 1.00 34.43 ? 617 LEU A CA 1 ATOM 2128 C C . LEU A 1 276 ? 38.191 7.630 10.638 1.00 35.54 ? 617 LEU A C 1 ATOM 2129 O O . LEU A 1 276 ? 38.826 6.979 9.809 1.00 35.79 ? 617 LEU A O 1 ATOM 2130 C CB . LEU A 1 276 ? 39.510 8.535 12.523 1.00 32.96 ? 617 LEU A CB 1 ATOM 2131 C CG . LEU A 1 276 ? 40.450 9.491 13.261 1.00 31.65 ? 617 LEU A CG 1 ATOM 2132 C CD1 . LEU A 1 276 ? 41.230 8.648 14.261 1.00 24.14 ? 617 LEU A CD1 1 ATOM 2133 C CD2 . LEU A 1 276 ? 41.415 10.188 12.310 1.00 26.43 ? 617 LEU A CD2 1 ATOM 2134 N N . PHE A 1 277 ? 36.985 7.253 11.055 1.00 35.86 ? 618 PHE A N 1 ATOM 2135 C CA . PHE A 1 277 ? 36.383 6.014 10.555 1.00 34.83 ? 618 PHE A CA 1 ATOM 2136 C C . PHE A 1 277 ? 34.990 6.231 9.982 1.00 34.74 ? 618 PHE A C 1 ATOM 2137 O O . PHE A 1 277 ? 34.273 5.272 9.683 1.00 30.94 ? 618 PHE A O 1 ATOM 2138 C CB . PHE A 1 277 ? 36.307 4.974 11.673 1.00 33.79 ? 618 PHE A CB 1 ATOM 2139 C CG . PHE A 1 277 ? 37.564 4.871 12.495 1.00 31.59 ? 618 PHE A CG 1 ATOM 2140 C CD1 . PHE A 1 277 ? 38.702 4.247 11.985 1.00 30.94 ? 618 PHE A CD1 1 ATOM 2141 C CD2 . PHE A 1 277 ? 37.619 5.422 13.776 1.00 31.56 ? 618 PHE A CD2 1 ATOM 2142 C CE1 . PHE A 1 277 ? 39.876 4.175 12.737 1.00 29.83 ? 618 PHE A CE1 1 ATOM 2143 C CE2 . PHE A 1 277 ? 38.785 5.356 14.535 1.00 29.51 ? 618 PHE A CE2 1 ATOM 2144 C CZ . PHE A 1 277 ? 39.917 4.732 14.014 1.00 30.11 ? 618 PHE A CZ 1 ATOM 2145 N N . GLY A 1 278 ? 34.606 7.497 9.844 1.00 35.69 ? 619 GLY A N 1 ATOM 2146 C CA . GLY A 1 278 ? 33.316 7.825 9.272 1.00 37.78 ? 619 GLY A CA 1 ATOM 2147 C C . GLY A 1 278 ? 33.315 7.534 7.779 1.00 40.47 ? 619 GLY A C 1 ATOM 2148 O O . GLY A 1 278 ? 34.253 6.922 7.257 1.00 37.53 ? 619 GLY A O 1 ATOM 2149 N N . LYS A 1 279 ? 32.279 7.982 7.073 1.00 42.30 ? 620 LYS A N 1 ATOM 2150 C CA . LYS A 1 279 ? 32.177 7.712 5.641 1.00 45.45 ? 620 LYS A CA 1 ATOM 2151 C C . LYS A 1 279 ? 33.393 8.120 4.805 1.00 47.55 ? 620 LYS A C 1 ATOM 2152 O O . LYS A 1 279 ? 33.824 7.360 3.921 1.00 48.15 ? 620 LYS A O 1 ATOM 2153 C CB . LYS A 1 279 ? 30.919 8.351 5.064 1.00 46.69 ? 620 LYS A CB 1 ATOM 2154 C CG . LYS A 1 279 ? 30.619 7.871 3.660 1.00 50.35 ? 620 LYS A CG 1 ATOM 2155 C CD . LYS A 1 279 ? 29.156 7.992 3.310 1.00 51.28 ? 620 LYS A CD 1 ATOM 2156 C CE . LYS A 1 279 ? 28.875 7.246 2.020 1.00 54.25 ? 620 LYS A CE 1 ATOM 2157 N NZ . LYS A 1 279 ? 29.990 7.440 1.042 1.00 51.77 ? 620 LYS A NZ 1 ATOM 2158 N N . ASN A 1 280 ? 33.951 9.302 5.069 1.00 47.53 ? 621 ASN A N 1 ATOM 2159 C CA . ASN A 1 280 ? 35.137 9.758 4.321 1.00 49.31 ? 621 ASN A CA 1 ATOM 2160 C C . ASN A 1 280 ? 36.353 9.944 5.226 1.00 48.81 ? 621 ASN A C 1 ATOM 2161 O O . ASN A 1 280 ? 37.099 10.917 5.097 1.00 50.65 ? 621 ASN A O 1 ATOM 2162 C CB . ASN A 1 280 ? 34.843 11.080 3.606 1.00 53.24 ? 621 ASN A CB 1 ATOM 2163 C CG . ASN A 1 280 ? 33.900 10.913 2.424 1.00 55.39 ? 621 ASN A CG 1 ATOM 2164 O OD1 . ASN A 1 280 ? 33.701 11.840 1.641 1.00 56.01 ? 621 ASN A OD1 1 ATOM 2165 N ND2 . ASN A 1 280 ? 33.311 9.727 2.293 1.00 56.19 ? 621 ASN A ND2 1 ATOM 2166 N N . GLY A 1 281 ? 36.561 8.984 6.118 1.00 47.16 ? 622 GLY A N 1 ATOM 2167 C CA . GLY A 1 281 ? 37.644 9.073 7.074 1.00 44.89 ? 622 GLY A CA 1 ATOM 2168 C C . GLY A 1 281 ? 39.045 8.749 6.609 1.00 43.62 ? 622 GLY A C 1 ATOM 2169 O O . GLY A 1 281 ? 39.252 7.941 5.702 1.00 44.31 ? 622 GLY A O 1 ATOM 2170 N N . LYS A 1 282 ? 40.002 9.389 7.275 1.00 42.63 ? 623 LYS A N 1 ATOM 2171 C CA . LYS A 1 282 ? 41.430 9.227 7.037 1.00 44.21 ? 623 LYS A CA 1 ATOM 2172 C C . LYS A 1 282 ? 41.719 7.747 6.904 1.00 44.79 ? 623 LYS A C 1 ATOM 2173 O O . LYS A 1 282 ? 42.484 7.324 6.023 1.00 44.82 ? 623 LYS A O 1 ATOM 2174 C CB . LYS A 1 282 ? 42.211 9.773 8.233 1.00 45.60 ? 623 LYS A CB 1 ATOM 2175 C CG . LYS A 1 282 ? 43.284 10.789 7.911 1.00 48.00 ? 623 LYS A CG 1 ATOM 2176 C CD . LYS A 1 282 ? 42.993 12.065 8.661 1.00 47.97 ? 623 LYS A CD 1 ATOM 2177 C CE . LYS A 1 282 ? 41.698 12.682 8.168 1.00 51.65 ? 623 LYS A CE 1 ATOM 2178 N NZ . LYS A 1 282 ? 41.969 13.660 7.084 1.00 55.86 ? 623 LYS A NZ 1 ATOM 2179 N N . ASN A 1 283 ? 41.097 6.975 7.800 1.00 44.91 ? 624 ASN A N 1 ATOM 2180 C CA . ASN A 1 283 ? 41.256 5.528 7.862 1.00 45.29 ? 624 ASN A CA 1 ATOM 2181 C C . ASN A 1 283 ? 40.050 4.630 7.585 1.00 45.88 ? 624 ASN A C 1 ATOM 2182 O O . ASN A 1 283 ? 40.231 3.417 7.540 1.00 43.96 ? 624 ASN A O 1 ATOM 2183 C CB . ASN A 1 283 ? 41.805 5.105 9.239 1.00 47.53 ? 624 ASN A CB 1 ATOM 2184 C CG . ASN A 1 283 ? 43.119 5.754 9.579 1.00 48.49 ? 624 ASN A CG 1 ATOM 2185 O OD1 . ASN A 1 283 ? 44.042 5.772 8.772 1.00 49.49 ? 624 ASN A OD1 1 ATOM 2186 N ND2 . ASN A 1 283 ? 43.213 6.291 10.793 1.00 46.44 ? 624 ASN A ND2 1 ATOM 2187 N N . CYS A 1 284 ? 38.838 5.151 7.416 1.00 47.60 ? 625 CYS A N 1 ATOM 2188 C CA . CYS A 1 284 ? 37.731 4.207 7.217 1.00 49.83 ? 625 CYS A CA 1 ATOM 2189 C C . CYS A 1 284 ? 37.951 3.064 6.238 1.00 54.66 ? 625 CYS A C 1 ATOM 2190 O O . CYS A 1 284 ? 38.237 1.940 6.651 1.00 59.35 ? 625 CYS A O 1 ATOM 2191 C CB . CYS A 1 284 ? 36.412 4.928 6.901 1.00 46.29 ? 625 CYS A CB 1 ATOM 2192 S SG . CYS A 1 284 ? 35.180 3.970 5.912 1.00 38.07 ? 625 CYS A SG 1 ATOM 2193 N N . PRO A 1 285 ? 37.843 3.324 4.925 1.00 55.84 ? 626 PRO A N 1 ATOM 2194 C CA . PRO A 1 285 ? 38.016 2.256 3.927 1.00 55.80 ? 626 PRO A CA 1 ATOM 2195 C C . PRO A 1 285 ? 39.209 1.323 4.074 1.00 57.00 ? 626 PRO A C 1 ATOM 2196 O O . PRO A 1 285 ? 39.060 0.101 4.089 1.00 56.10 ? 626 PRO A O 1 ATOM 2197 C CB . PRO A 1 285 ? 38.055 3.008 2.591 1.00 57.06 ? 626 PRO A CB 1 ATOM 2198 C CG . PRO A 1 285 ? 37.564 4.416 2.912 1.00 58.70 ? 626 PRO A CG 1 ATOM 2199 C CD . PRO A 1 285 ? 38.064 4.637 4.299 1.00 54.55 ? 626 PRO A CD 1 ATOM 2200 N N A ASP A 1 286 ? 40.394 1.906 4.227 0.60 58.00 ? 627 ASP A N 1 ATOM 2201 N N B ASP A 1 286 ? 40.385 1.913 4.222 0.40 56.39 ? 627 ASP A N 1 ATOM 2202 C CA A ASP A 1 286 ? 41.624 1.130 4.333 0.60 58.16 ? 627 ASP A CA 1 ATOM 2203 C CA B ASP A 1 286 ? 41.631 1.157 4.333 0.40 55.63 ? 627 ASP A CA 1 ATOM 2204 C C A ASP A 1 286 ? 41.840 0.321 5.603 0.60 56.59 ? 627 ASP A C 1 ATOM 2205 C C B ASP A 1 286 ? 41.837 0.333 5.594 0.40 55.09 ? 627 ASP A C 1 ATOM 2206 O O A ASP A 1 286 ? 42.097 -0.877 5.527 0.60 56.02 ? 627 ASP A O 1 ATOM 2207 O O B ASP A 1 286 ? 42.092 -0.863 5.500 0.40 54.32 ? 627 ASP A O 1 ATOM 2208 C CB A ASP A 1 286 ? 42.832 2.032 4.092 0.60 60.72 ? 627 ASP A CB 1 ATOM 2209 C CB B ASP A 1 286 ? 42.792 2.114 4.154 0.40 54.80 ? 627 ASP A CB 1 ATOM 2210 C CG A ASP A 1 286 ? 43.920 1.335 3.295 0.60 62.16 ? 627 ASP A CG 1 ATOM 2211 C CG B ASP A 1 286 ? 42.401 3.313 3.341 0.40 53.20 ? 627 ASP A CG 1 ATOM 2212 O OD1 A ASP A 1 286 ? 43.620 0.325 2.620 0.60 64.49 ? 627 ASP A OD1 1 ATOM 2213 O OD1 B ASP A 1 286 ? 42.591 3.289 2.109 0.40 51.80 ? 627 ASP A OD1 1 ATOM 2214 O OD2 A ASP A 1 286 ? 45.077 1.798 3.327 0.60 61.80 ? 627 ASP A OD2 1 ATOM 2215 O OD2 B ASP A 1 286 ? 41.877 4.271 3.950 0.40 50.08 ? 627 ASP A OD2 1 ATOM 2216 N N . LYS A 1 287 ? 41.755 0.956 6.766 1.00 55.47 ? 628 LYS A N 1 ATOM 2217 C CA . LYS A 1 287 ? 41.945 0.222 8.014 1.00 52.89 ? 628 LYS A CA 1 ATOM 2218 C C . LYS A 1 287 ? 40.630 -0.139 8.726 1.00 50.11 ? 628 LYS A C 1 ATOM 2219 O O . LYS A 1 287 ? 40.368 -1.324 8.938 1.00 50.43 ? 628 LYS A O 1 ATOM 2220 C CB . LYS A 1 287 ? 42.899 0.975 8.956 1.00 54.27 ? 628 LYS A CB 1 ATOM 2221 C CG . LYS A 1 287 ? 44.361 0.975 8.473 1.00 55.72 ? 628 LYS A CG 1 ATOM 2222 C CD . LYS A 1 287 ? 45.339 1.455 9.553 1.00 57.29 ? 628 LYS A CD 1 ATOM 2223 C CE . LYS A 1 287 ? 45.850 0.314 10.443 1.00 58.87 ? 628 LYS A CE 1 ATOM 2224 N NZ . LYS A 1 287 ? 46.531 0.814 11.686 1.00 58.84 ? 628 LYS A NZ 1 ATOM 2225 N N . PHE A 1 288 ? 39.786 0.840 9.061 1.00 45.24 ? 629 PHE A N 1 ATOM 2226 C CA . PHE A 1 288 ? 38.529 0.518 9.755 1.00 39.71 ? 629 PHE A CA 1 ATOM 2227 C C . PHE A 1 288 ? 37.364 1.512 9.532 1.00 37.79 ? 629 PHE A C 1 ATOM 2228 O O . PHE A 1 288 ? 37.580 2.726 9.479 1.00 36.99 ? 629 PHE A O 1 ATOM 2229 C CB . PHE A 1 288 ? 38.828 0.376 11.257 1.00 36.65 ? 629 PHE A CB 1 ATOM 2230 C CG . PHE A 1 288 ? 37.613 0.142 12.109 1.00 32.70 ? 629 PHE A CG 1 ATOM 2231 C CD1 . PHE A 1 288 ? 37.041 -1.120 12.206 1.00 28.41 ? 629 PHE A CD1 1 ATOM 2232 C CD2 . PHE A 1 288 ? 37.043 1.194 12.823 1.00 29.73 ? 629 PHE A CD2 1 ATOM 2233 C CE1 . PHE A 1 288 ? 35.919 -1.331 13.004 1.00 25.75 ? 629 PHE A CE1 1 ATOM 2234 C CE2 . PHE A 1 288 ? 35.925 0.992 13.621 1.00 26.41 ? 629 PHE A CE2 1 ATOM 2235 C CZ . PHE A 1 288 ? 35.363 -0.276 13.710 1.00 25.60 ? 629 PHE A CZ 1 ATOM 2236 N N . CYS A 1 289 ? 36.135 0.996 9.409 1.00 33.72 ? 630 CYS A N 1 ATOM 2237 C CA . CYS A 1 289 ? 34.954 1.851 9.212 1.00 32.05 ? 630 CYS A CA 1 ATOM 2238 C C . CYS A 1 289 ? 33.849 1.623 10.253 1.00 32.07 ? 630 CYS A C 1 ATOM 2239 O O . CYS A 1 289 ? 33.255 0.538 10.339 1.00 31.88 ? 630 CYS A O 1 ATOM 2240 C CB . CYS A 1 289 ? 34.347 1.670 7.806 1.00 32.01 ? 630 CYS A CB 1 ATOM 2241 S SG . CYS A 1 289 ? 35.446 2.011 6.390 1.00 37.36 ? 630 CYS A SG 1 ATOM 2242 N N . LEU A 1 290 ? 33.572 2.669 11.030 1.00 29.16 ? 631 LEU A N 1 ATOM 2243 C CA . LEU A 1 290 ? 32.547 2.641 12.069 1.00 27.81 ? 631 LEU A CA 1 ATOM 2244 C C . LEU A 1 290 ? 31.167 2.214 11.590 1.00 28.87 ? 631 LEU A C 1 ATOM 2245 O O . LEU A 1 290 ? 30.484 1.428 12.261 1.00 27.37 ? 631 LEU A O 1 ATOM 2246 C CB . LEU A 1 290 ? 32.400 4.023 12.716 1.00 26.10 ? 631 LEU A CB 1 ATOM 2247 C CG . LEU A 1 290 ? 32.791 4.196 14.191 1.00 27.64 ? 631 LEU A CG 1 ATOM 2248 C CD1 . LEU A 1 290 ? 32.088 5.430 14.704 1.00 28.00 ? 631 LEU A CD1 1 ATOM 2249 C CD2 . LEU A 1 290 ? 32.365 2.988 15.025 1.00 29.89 ? 631 LEU A CD2 1 ATOM 2250 N N . PHE A 1 291 ? 30.750 2.745 10.442 1.00 28.32 ? 632 PHE A N 1 ATOM 2251 C CA . PHE A 1 291 ? 29.425 2.463 9.922 1.00 30.23 ? 632 PHE A CA 1 ATOM 2252 C C . PHE A 1 291 ? 29.251 1.275 9.004 1.00 33.18 ? 632 PHE A C 1 ATOM 2253 O O . PHE A 1 291 ? 28.219 1.149 8.348 1.00 33.19 ? 632 PHE A O 1 ATOM 2254 C CB . PHE A 1 291 ? 28.879 3.722 9.263 1.00 28.33 ? 632 PHE A CB 1 ATOM 2255 C CG . PHE A 1 291 ? 29.034 4.938 10.117 1.00 28.21 ? 632 PHE A CG 1 ATOM 2256 C CD1 . PHE A 1 291 ? 28.801 4.858 11.485 1.00 24.96 ? 632 PHE A CD1 1 ATOM 2257 C CD2 . PHE A 1 291 ? 29.462 6.145 9.575 1.00 27.87 ? 632 PHE A CD2 1 ATOM 2258 C CE1 . PHE A 1 291 ? 28.999 5.950 12.302 1.00 27.60 ? 632 PHE A CE1 1 ATOM 2259 C CE2 . PHE A 1 291 ? 29.659 7.244 10.393 1.00 28.85 ? 632 PHE A CE2 1 ATOM 2260 C CZ . PHE A 1 291 ? 29.429 7.141 11.760 1.00 28.25 ? 632 PHE A CZ 1 ATOM 2261 N N . LYS A 1 292 ? 30.241 0.394 8.965 1.00 34.64 ? 633 LYS A N 1 ATOM 2262 C CA . LYS A 1 292 ? 30.135 -0.788 8.123 1.00 39.99 ? 633 LYS A CA 1 ATOM 2263 C C . LYS A 1 292 ? 30.149 -2.045 8.998 1.00 42.17 ? 633 LYS A C 1 ATOM 2264 O O . LYS A 1 292 ? 30.832 -2.091 10.026 1.00 40.75 ? 633 LYS A O 1 ATOM 2265 C CB . LYS A 1 292 ? 31.292 -0.838 7.116 1.00 41.30 ? 633 LYS A CB 1 ATOM 2266 C CG . LYS A 1 292 ? 30.900 -1.182 5.672 1.00 44.98 ? 633 LYS A CG 1 ATOM 2267 C CD . LYS A 1 292 ? 30.521 0.075 4.883 1.00 48.86 ? 633 LYS A CD 1 ATOM 2268 C CE . LYS A 1 292 ? 29.130 0.599 5.225 1.00 51.29 ? 633 LYS A CE 1 ATOM 2269 N NZ . LYS A 1 292 ? 28.949 2.031 4.823 1.00 52.36 ? 633 LYS A NZ 1 ATOM 2270 N N . SER A 1 293 ? 29.392 -3.058 8.578 1.00 44.38 ? 634 SER A N 1 ATOM 2271 C CA . SER A 1 293 ? 29.309 -4.326 9.297 1.00 46.75 ? 634 SER A CA 1 ATOM 2272 C C . SER A 1 293 ? 28.466 -5.356 8.544 1.00 50.00 ? 634 SER A C 1 ATOM 2273 O O . SER A 1 293 ? 27.653 -6.063 9.140 1.00 52.23 ? 634 SER A O 1 ATOM 2274 C CB . SER A 1 293 ? 28.717 -4.119 10.688 1.00 43.83 ? 634 SER A CB 1 ATOM 2275 O OG . SER A 1 293 ? 27.321 -3.900 10.605 1.00 39.46 ? 634 SER A OG 1 ATOM 2276 N N . GLU A 1 294 ? 28.655 -5.421 7.230 1.00 52.84 ? 635 GLU A N 1 ATOM 2277 C CA . GLU A 1 294 ? 27.961 -6.385 6.380 1.00 57.18 ? 635 GLU A CA 1 ATOM 2278 C C . GLU A 1 294 ? 26.474 -6.644 6.680 1.00 55.81 ? 635 GLU A C 1 ATOM 2279 O O . GLU A 1 294 ? 26.118 -7.684 7.227 1.00 54.30 ? 635 GLU A O 1 ATOM 2280 C CB . GLU A 1 294 ? 28.735 -7.711 6.410 1.00 61.72 ? 635 GLU A CB 1 ATOM 2281 C CG . GLU A 1 294 ? 29.114 -8.184 7.815 1.00 68.51 ? 635 GLU A CG 1 ATOM 2282 C CD . GLU A 1 294 ? 29.477 -9.656 7.869 1.00 72.51 ? 635 GLU A CD 1 ATOM 2283 O OE1 . GLU A 1 294 ? 30.683 -9.983 7.900 1.00 75.56 ? 635 GLU A OE1 1 ATOM 2284 O OE2 . GLU A 1 294 ? 28.546 -10.490 7.866 1.00 73.63 ? 635 GLU A OE2 1 ATOM 2285 N N . THR A 1 295 ? 25.625 -5.690 6.308 1.00 54.04 ? 636 THR A N 1 ATOM 2286 C CA . THR A 1 295 ? 24.176 -5.794 6.491 1.00 52.21 ? 636 THR A CA 1 ATOM 2287 C C . THR A 1 295 ? 23.656 -5.973 7.937 1.00 49.54 ? 636 THR A C 1 ATOM 2288 O O . THR A 1 295 ? 22.440 -6.037 8.149 1.00 48.38 ? 636 THR A O 1 ATOM 2289 C CB . THR A 1 295 ? 23.601 -6.969 5.645 1.00 53.17 ? 636 THR A CB 1 ATOM 2290 O OG1 . THR A 1 295 ? 22.292 -6.625 5.184 1.00 54.25 ? 636 THR A OG1 1 ATOM 2291 C CG2 . THR A 1 295 ? 23.509 -8.245 6.484 1.00 53.61 ? 636 THR A CG2 1 ATOM 2292 N N . LYS A 1 296 ? 24.555 -6.006 8.922 1.00 45.74 ? 637 LYS A N 1 ATOM 2293 C CA . LYS A 1 296 ? 24.183 -6.245 10.323 1.00 40.22 ? 637 LYS A CA 1 ATOM 2294 C C . LYS A 1 296 ? 23.866 -5.111 11.321 1.00 35.53 ? 637 LYS A C 1 ATOM 2295 O O . LYS A 1 296 ? 23.415 -5.389 12.435 1.00 29.51 ? 637 LYS A O 1 ATOM 2296 C CB . LYS A 1 296 ? 25.221 -7.199 10.920 1.00 41.47 ? 637 LYS A CB 1 ATOM 2297 C CG . LYS A 1 296 ? 25.223 -8.538 10.171 1.00 44.04 ? 637 LYS A CG 1 ATOM 2298 C CD . LYS A 1 296 ? 26.561 -9.263 10.227 1.00 50.37 ? 637 LYS A CD 1 ATOM 2299 C CE . LYS A 1 296 ? 26.855 -9.799 11.608 1.00 54.42 ? 637 LYS A CE 1 ATOM 2300 N NZ . LYS A 1 296 ? 25.696 -10.567 12.115 1.00 58.37 ? 637 LYS A NZ 1 ATOM 2301 N N . ASN A 1 297 ? 24.071 -3.853 10.932 1.00 32.36 ? 638 ASN A N 1 ATOM 2302 C CA . ASN A 1 297 ? 23.758 -2.714 11.812 1.00 26.71 ? 638 ASN A CA 1 ATOM 2303 C C . ASN A 1 297 ? 24.282 -2.844 13.240 1.00 25.19 ? 638 ASN A C 1 ATOM 2304 O O . ASN A 1 297 ? 23.549 -2.625 14.211 1.00 22.55 ? 638 ASN A O 1 ATOM 2305 C CB . ASN A 1 297 ? 22.243 -2.506 11.832 1.00 27.72 ? 638 ASN A CB 1 ATOM 2306 C CG . ASN A 1 297 ? 21.683 -2.245 10.453 1.00 27.20 ? 638 ASN A CG 1 ATOM 2307 O OD1 . ASN A 1 297 ? 20.596 -2.702 10.115 1.00 24.94 ? 638 ASN A OD1 1 ATOM 2308 N ND2 . ASN A 1 297 ? 22.425 -1.489 9.649 1.00 26.56 ? 638 ASN A ND2 1 ATOM 2309 N N . LEU A 1 298 ? 25.566 -3.177 13.347 1.00 24.84 ? 639 LEU A N 1 ATOM 2310 C CA . LEU A 1 298 ? 26.222 -3.341 14.632 1.00 21.23 ? 639 LEU A CA 1 ATOM 2311 C C . LEU A 1 298 ? 26.742 -1.993 15.108 1.00 20.77 ? 639 LEU A C 1 ATOM 2312 O O . LEU A 1 298 ? 27.525 -1.351 14.409 1.00 20.92 ? 639 LEU A O 1 ATOM 2313 C CB . LEU A 1 298 ? 27.383 -4.331 14.497 1.00 21.81 ? 639 LEU A CB 1 ATOM 2314 C CG . LEU A 1 298 ? 27.053 -5.689 13.847 1.00 18.59 ? 639 LEU A CG 1 ATOM 2315 C CD1 . LEU A 1 298 ? 28.288 -6.563 13.779 1.00 17.42 ? 639 LEU A CD1 1 ATOM 2316 C CD2 . LEU A 1 298 ? 25.973 -6.406 14.659 1.00 23.34 ? 639 LEU A CD2 1 ATOM 2317 N N . LEU A 1 299 ? 26.291 -1.576 16.293 1.00 22.02 ? 640 LEU A N 1 ATOM 2318 C CA . LEU A 1 299 ? 26.675 -0.300 16.916 1.00 20.69 ? 640 LEU A CA 1 ATOM 2319 C C . LEU A 1 299 ? 25.966 0.895 16.277 1.00 17.47 ? 640 LEU A C 1 ATOM 2320 O O . LEU A 1 299 ? 25.485 1.793 16.956 1.00 18.99 ? 640 LEU A O 1 ATOM 2321 C CB . LEU A 1 299 ? 28.190 -0.095 16.843 1.00 18.65 ? 640 LEU A CB 1 ATOM 2322 C CG . LEU A 1 299 ? 29.080 -1.156 17.469 1.00 17.34 ? 640 LEU A CG 1 ATOM 2323 C CD1 . LEU A 1 299 ? 30.501 -0.635 17.461 1.00 14.46 ? 640 LEU A CD1 1 ATOM 2324 C CD2 . LEU A 1 299 ? 28.619 -1.491 18.879 1.00 15.16 ? 640 LEU A CD2 1 ATOM 2325 N N . PHE A 1 300 ? 25.916 0.896 14.957 1.00 17.46 ? 641 PHE A N 1 ATOM 2326 C CA . PHE A 1 300 ? 25.262 1.958 14.206 1.00 19.54 ? 641 PHE A CA 1 ATOM 2327 C C . PHE A 1 300 ? 24.603 1.276 13.020 1.00 18.67 ? 641 PHE A C 1 ATOM 2328 O O . PHE A 1 300 ? 24.992 0.172 12.653 1.00 22.12 ? 641 PHE A O 1 ATOM 2329 C CB . PHE A 1 300 ? 26.299 2.980 13.709 1.00 15.99 ? 641 PHE A CB 1 ATOM 2330 C CG . PHE A 1 300 ? 27.052 3.679 14.813 1.00 18.97 ? 641 PHE A CG 1 ATOM 2331 C CD1 . PHE A 1 300 ? 26.502 4.782 15.469 1.00 17.75 ? 641 PHE A CD1 1 ATOM 2332 C CD2 . PHE A 1 300 ? 28.309 3.230 15.207 1.00 16.72 ? 641 PHE A CD2 1 ATOM 2333 C CE1 . PHE A 1 300 ? 27.204 5.442 16.493 1.00 17.94 ? 641 PHE A CE1 1 ATOM 2334 C CE2 . PHE A 1 300 ? 29.022 3.877 16.230 1.00 16.61 ? 641 PHE A CE2 1 ATOM 2335 C CZ . PHE A 1 300 ? 28.465 4.984 16.879 1.00 16.00 ? 641 PHE A CZ 1 ATOM 2336 N N . ASN A 1 301 ? 23.600 1.915 12.432 1.00 20.13 ? 642 ASN A N 1 ATOM 2337 C CA . ASN A 1 301 ? 22.958 1.343 11.257 1.00 22.78 ? 642 ASN A CA 1 ATOM 2338 C C . ASN A 1 301 ? 24.004 1.400 10.134 1.00 25.16 ? 642 ASN A C 1 ATOM 2339 O O . ASN A 1 301 ? 24.823 2.327 10.076 1.00 25.01 ? 642 ASN A O 1 ATOM 2340 C CB . ASN A 1 301 ? 21.727 2.151 10.846 1.00 21.14 ? 642 ASN A CB 1 ATOM 2341 C CG . ASN A 1 301 ? 20.509 1.832 11.686 1.00 22.72 ? 642 ASN A CG 1 ATOM 2342 O OD1 . ASN A 1 301 ? 20.208 0.669 11.936 1.00 25.55 ? 642 ASN A OD1 1 ATOM 2343 N ND2 . ASN A 1 301 ? 19.794 2.867 12.119 1.00 23.40 ? 642 ASN A ND2 1 ATOM 2344 N N . ASP A 1 302 ? 23.994 0.403 9.258 1.00 26.52 ? 643 ASP A N 1 ATOM 2345 C CA . ASP A 1 302 ? 24.947 0.382 8.171 1.00 28.62 ? 643 ASP A CA 1 ATOM 2346 C C . ASP A 1 302 ? 24.806 1.552 7.200 1.00 26.42 ? 643 ASP A C 1 ATOM 2347 O O . ASP A 1 302 ? 25.772 1.928 6.554 1.00 26.72 ? 643 ASP A O 1 ATOM 2348 C CB . ASP A 1 302 ? 24.869 -0.953 7.426 1.00 29.39 ? 643 ASP A CB 1 ATOM 2349 C CG . ASP A 1 302 ? 25.690 -2.039 8.100 1.00 32.05 ? 643 ASP A CG 1 ATOM 2350 O OD1 . ASP A 1 302 ? 26.460 -1.709 9.023 1.00 32.95 ? 643 ASP A OD1 1 ATOM 2351 O OD2 . ASP A 1 302 ? 25.576 -3.214 7.705 1.00 39.95 ? 643 ASP A OD2 1 ATOM 2352 N N . ASN A 1 303 ? 23.626 2.156 7.118 1.00 26.69 ? 644 ASN A N 1 ATOM 2353 C CA . ASN A 1 303 ? 23.428 3.272 6.186 1.00 29.48 ? 644 ASN A CA 1 ATOM 2354 C C . ASN A 1 303 ? 23.709 4.673 6.744 1.00 31.26 ? 644 ASN A C 1 ATOM 2355 O O . ASN A 1 303 ? 23.353 5.669 6.112 1.00 33.38 ? 644 ASN A O 1 ATOM 2356 C CB . ASN A 1 303 ? 22.003 3.247 5.595 1.00 28.55 ? 644 ASN A CB 1 ATOM 2357 C CG . ASN A 1 303 ? 20.913 3.477 6.646 1.00 29.80 ? 644 ASN A CG 1 ATOM 2358 O OD1 . ASN A 1 303 ? 21.196 3.763 7.818 1.00 31.75 ? 644 ASN A OD1 1 ATOM 2359 N ND2 . ASN A 1 303 ? 19.656 3.360 6.222 1.00 26.77 ? 644 ASN A ND2 1 ATOM 2360 N N . THR A 1 304 ? 24.347 4.753 7.908 1.00 31.00 ? 645 THR A N 1 ATOM 2361 C CA . THR A 1 304 ? 24.669 6.044 8.501 1.00 30.05 ? 645 THR A CA 1 ATOM 2362 C C . THR A 1 304 ? 25.750 6.780 7.704 1.00 31.61 ? 645 THR A C 1 ATOM 2363 O O . THR A 1 304 ? 26.841 6.243 7.499 1.00 31.22 ? 645 THR A O 1 ATOM 2364 C CB . THR A 1 304 ? 25.177 5.872 9.953 1.00 29.11 ? 645 THR A CB 1 ATOM 2365 O OG1 . THR A 1 304 ? 24.095 5.455 10.789 1.00 29.04 ? 645 THR A OG1 1 ATOM 2366 C CG2 . THR A 1 304 ? 25.750 7.174 10.486 1.00 21.52 ? 645 THR A CG2 1 ATOM 2367 N N . GLU A 1 305 ? 25.460 7.998 7.249 1.00 31.79 ? 646 GLU A N 1 ATOM 2368 C CA . GLU A 1 305 ? 26.474 8.750 6.521 1.00 33.76 ? 646 GLU A CA 1 ATOM 2369 C C . GLU A 1 305 ? 27.407 9.351 7.563 1.00 32.05 ? 646 GLU A C 1 ATOM 2370 O O . GLU A 1 305 ? 28.622 9.395 7.376 1.00 30.96 ? 646 GLU A O 1 ATOM 2371 C CB . GLU A 1 305 ? 25.873 9.888 5.684 1.00 39.17 ? 646 GLU A CB 1 ATOM 2372 C CG . GLU A 1 305 ? 26.791 10.285 4.498 1.00 47.58 ? 646 GLU A CG 1 ATOM 2373 C CD . GLU A 1 305 ? 26.819 11.783 4.177 1.00 52.82 ? 646 GLU A CD 1 ATOM 2374 O OE1 . GLU A 1 305 ? 25.747 12.348 3.888 1.00 55.40 ? 646 GLU A OE1 1 ATOM 2375 O OE2 . GLU A 1 305 ? 27.916 12.390 4.198 1.00 53.91 ? 646 GLU A OE2 1 ATOM 2376 N N . CYS A 1 306 ? 26.822 9.811 8.666 1.00 31.61 ? 647 CYS A N 1 ATOM 2377 C CA . CYS A 1 306 ? 27.584 10.421 9.750 1.00 29.62 ? 647 CYS A CA 1 ATOM 2378 C C . CYS A 1 306 ? 26.675 10.698 10.943 1.00 27.78 ? 647 CYS A C 1 ATOM 2379 O O . CYS A 1 306 ? 25.448 10.622 10.842 1.00 26.73 ? 647 CYS A O 1 ATOM 2380 C CB . CYS A 1 306 ? 28.191 11.757 9.301 1.00 32.86 ? 647 CYS A CB 1 ATOM 2381 S SG . CYS A 1 306 ? 27.012 13.119 9.552 1.00 33.80 ? 647 CYS A SG 1 ATOM 2382 N N . LEU A 1 307 ? 27.297 11.030 12.071 1.00 25.15 ? 648 LEU A N 1 ATOM 2383 C CA . LEU A 1 307 ? 26.574 11.382 13.281 1.00 23.50 ? 648 LEU A CA 1 ATOM 2384 C C . LEU A 1 307 ? 26.490 12.913 13.248 1.00 24.62 ? 648 LEU A C 1 ATOM 2385 O O . LEU A 1 307 ? 27.508 13.591 13.081 1.00 25.75 ? 648 LEU A O 1 ATOM 2386 C CB . LEU A 1 307 ? 27.345 10.880 14.499 1.00 23.86 ? 648 LEU A CB 1 ATOM 2387 C CG . LEU A 1 307 ? 27.506 9.357 14.567 1.00 26.18 ? 648 LEU A CG 1 ATOM 2388 C CD1 . LEU A 1 307 ? 28.556 9.006 15.611 1.00 26.52 ? 648 LEU A CD1 1 ATOM 2389 C CD2 . LEU A 1 307 ? 26.153 8.710 14.894 1.00 26.93 ? 648 LEU A CD2 1 ATOM 2390 N N . ALA A 1 308 ? 25.290 13.462 13.411 1.00 23.86 ? 649 ALA A N 1 ATOM 2391 C CA . ALA A 1 308 ? 25.102 14.908 13.318 1.00 23.94 ? 649 ALA A CA 1 ATOM 2392 C C . ALA A 1 308 ? 24.932 15.660 14.632 1.00 24.69 ? 649 ALA A C 1 ATOM 2393 O O . ALA A 1 308 ? 24.360 15.140 15.581 1.00 25.29 ? 649 ALA A O 1 ATOM 2394 C CB . ALA A 1 308 ? 23.906 15.202 12.412 1.00 19.67 ? 649 ALA A CB 1 ATOM 2395 N N . LYS A 1 309 ? 25.436 16.894 14.682 1.00 28.12 ? 650 LYS A N 1 ATOM 2396 C CA . LYS A 1 309 ? 25.281 17.730 15.872 1.00 28.47 ? 650 LYS A CA 1 ATOM 2397 C C . LYS A 1 309 ? 23.770 17.904 15.938 1.00 28.88 ? 650 LYS A C 1 ATOM 2398 O O . LYS A 1 309 ? 23.090 17.691 14.942 1.00 29.16 ? 650 LYS A O 1 ATOM 2399 C CB . LYS A 1 309 ? 25.991 19.095 15.706 1.00 29.14 ? 650 LYS A CB 1 ATOM 2400 C CG . LYS A 1 309 ? 27.519 19.022 15.582 1.00 31.36 ? 650 LYS A CG 1 ATOM 2401 C CD . LYS A 1 309 ? 28.201 20.373 15.817 1.00 34.11 ? 650 LYS A CD 1 ATOM 2402 C CE . LYS A 1 309 ? 29.719 20.295 15.567 1.00 37.50 ? 650 LYS A CE 1 ATOM 2403 N NZ . LYS A 1 309 ? 30.555 21.048 16.566 1.00 38.68 ? 650 LYS A NZ 1 ATOM 2404 N N . LEU A 1 310 ? 23.225 18.288 17.083 1.00 29.86 ? 651 LEU A N 1 ATOM 2405 C CA . LEU A 1 310 ? 21.773 18.405 17.174 1.00 30.01 ? 651 LEU A CA 1 ATOM 2406 C C . LEU A 1 310 ? 21.146 19.787 16.991 1.00 33.88 ? 651 LEU A C 1 ATOM 2407 O O . LEU A 1 310 ? 20.182 19.932 16.240 1.00 37.91 ? 651 LEU A O 1 ATOM 2408 C CB . LEU A 1 310 ? 21.296 17.762 18.477 1.00 25.34 ? 651 LEU A CB 1 ATOM 2409 C CG . LEU A 1 310 ? 21.390 16.234 18.453 1.00 22.55 ? 651 LEU A CG 1 ATOM 2410 C CD1 . LEU A 1 310 ? 20.996 15.653 19.794 1.00 19.56 ? 651 LEU A CD1 1 ATOM 2411 C CD2 . LEU A 1 310 ? 20.485 15.694 17.359 1.00 18.41 ? 651 LEU A CD2 1 ATOM 2412 N N . GLY A 1 311 ? 21.676 20.803 17.660 1.00 37.29 ? 652 GLY A N 1 ATOM 2413 C CA . GLY A 1 311 ? 21.120 22.137 17.489 1.00 38.89 ? 652 GLY A CA 1 ATOM 2414 C C . GLY A 1 311 ? 19.808 22.339 18.212 1.00 39.48 ? 652 GLY A C 1 ATOM 2415 O O . GLY A 1 311 ? 18.805 21.700 17.891 1.00 39.07 ? 652 GLY A O 1 ATOM 2416 N N . GLY A 1 312 ? 19.804 23.257 19.170 1.00 38.06 ? 653 GLY A N 1 ATOM 2417 C CA . GLY A 1 312 ? 18.598 23.493 19.937 1.00 38.20 ? 653 GLY A CA 1 ATOM 2418 C C . GLY A 1 312 ? 18.803 22.705 21.201 1.00 36.41 ? 653 GLY A C 1 ATOM 2419 O O . GLY A 1 312 ? 17.916 22.592 22.041 1.00 37.78 ? 653 GLY A O 1 ATOM 2420 N N . ARG A 1 313 ? 20.008 22.150 21.301 1.00 35.06 ? 654 ARG A N 1 ATOM 2421 C CA . ARG A 1 313 ? 20.420 21.357 22.444 1.00 35.78 ? 654 ARG A CA 1 ATOM 2422 C C . ARG A 1 313 ? 19.158 20.849 23.107 1.00 33.31 ? 654 ARG A C 1 ATOM 2423 O O . ARG A 1 313 ? 18.832 21.219 24.235 1.00 34.12 ? 654 ARG A O 1 ATOM 2424 C CB . ARG A 1 313 ? 21.256 22.222 23.383 1.00 39.20 ? 654 ARG A CB 1 ATOM 2425 C CG . ARG A 1 313 ? 22.597 22.538 22.740 1.00 46.97 ? 654 ARG A CG 1 ATOM 2426 C CD . ARG A 1 313 ? 23.433 23.588 23.444 1.00 54.67 ? 654 ARG A CD 1 ATOM 2427 N NE . ARG A 1 313 ? 24.800 23.466 22.953 1.00 62.25 ? 654 ARG A NE 1 ATOM 2428 C CZ . ARG A 1 313 ? 25.760 22.811 23.601 1.00 67.71 ? 654 ARG A CZ 1 ATOM 2429 N NH1 . ARG A 1 313 ? 25.513 22.243 24.779 1.00 68.04 ? 654 ARG A NH1 1 ATOM 2430 N NH2 . ARG A 1 313 ? 26.952 22.655 23.040 1.00 69.08 ? 654 ARG A NH2 1 ATOM 2431 N N . PRO A 1 314 ? 18.419 19.989 22.388 1.00 30.07 ? 655 PRO A N 1 ATOM 2432 C CA . PRO A 1 314 ? 17.162 19.412 22.847 1.00 28.10 ? 655 PRO A CA 1 ATOM 2433 C C . PRO A 1 314 ? 17.252 18.376 23.947 1.00 27.60 ? 655 PRO A C 1 ATOM 2434 O O . PRO A 1 314 ? 18.241 17.651 24.059 1.00 26.29 ? 655 PRO A O 1 ATOM 2435 C CB . PRO A 1 314 ? 16.582 18.822 21.571 1.00 27.47 ? 655 PRO A CB 1 ATOM 2436 C CG . PRO A 1 314 ? 17.792 18.227 20.946 1.00 24.88 ? 655 PRO A CG 1 ATOM 2437 C CD . PRO A 1 314 ? 18.867 19.317 21.152 1.00 26.38 ? 655 PRO A CD 1 ATOM 2438 N N . THR A 1 315 ? 16.199 18.346 24.761 1.00 24.78 ? 656 THR A N 1 ATOM 2439 C CA . THR A 1 315 ? 16.059 17.372 25.824 1.00 24.87 ? 656 THR A CA 1 ATOM 2440 C C . THR A 1 315 ? 15.521 16.162 25.063 1.00 24.78 ? 656 THR A C 1 ATOM 2441 O O . THR A 1 315 ? 15.188 16.260 23.882 1.00 23.38 ? 656 THR A O 1 ATOM 2442 C CB . THR A 1 315 ? 15.027 17.823 26.875 1.00 23.05 ? 656 THR A CB 1 ATOM 2443 O OG1 . THR A 1 315 ? 13.748 17.962 26.254 1.00 26.72 ? 656 THR A OG1 1 ATOM 2444 C CG2 . THR A 1 315 ? 15.427 19.158 27.480 1.00 21.66 ? 656 THR A CG2 1 ATOM 2445 N N . TYR A 1 316 ? 15.412 15.027 25.726 1.00 24.88 ? 657 TYR A N 1 ATOM 2446 C CA . TYR A 1 316 ? 14.944 13.841 25.042 1.00 26.40 ? 657 TYR A CA 1 ATOM 2447 C C . TYR A 1 316 ? 13.517 13.958 24.510 1.00 27.67 ? 657 TYR A C 1 ATOM 2448 O O . TYR A 1 316 ? 13.209 13.407 23.458 1.00 28.76 ? 657 TYR A O 1 ATOM 2449 C CB . TYR A 1 316 ? 15.092 12.625 25.961 1.00 27.65 ? 657 TYR A CB 1 ATOM 2450 C CG . TYR A 1 316 ? 13.957 12.434 26.925 1.00 27.00 ? 657 TYR A CG 1 ATOM 2451 C CD1 . TYR A 1 316 ? 12.908 11.581 26.617 1.00 26.59 ? 657 TYR A CD1 1 ATOM 2452 C CD2 . TYR A 1 316 ? 13.928 13.106 28.141 1.00 26.63 ? 657 TYR A CD2 1 ATOM 2453 C CE1 . TYR A 1 316 ? 11.849 11.393 27.490 1.00 29.15 ? 657 TYR A CE1 1 ATOM 2454 C CE2 . TYR A 1 316 ? 12.874 12.923 29.035 1.00 29.37 ? 657 TYR A CE2 1 ATOM 2455 C CZ . TYR A 1 316 ? 11.838 12.063 28.700 1.00 29.39 ? 657 TYR A CZ 1 ATOM 2456 O OH . TYR A 1 316 ? 10.803 11.876 29.581 1.00 30.20 ? 657 TYR A OH 1 ATOM 2457 N N . GLU A 1 317 ? 12.650 14.669 25.222 1.00 28.41 ? 658 GLU A N 1 ATOM 2458 C CA . GLU A 1 317 ? 11.274 14.826 24.766 1.00 29.66 ? 658 GLU A CA 1 ATOM 2459 C C . GLU A 1 317 ? 11.290 15.652 23.493 1.00 29.60 ? 658 GLU A C 1 ATOM 2460 O O . GLU A 1 317 ? 10.575 15.351 22.533 1.00 32.32 ? 658 GLU A O 1 ATOM 2461 C CB . GLU A 1 317 ? 10.425 15.547 25.815 1.00 33.65 ? 658 GLU A CB 1 ATOM 2462 C CG . GLU A 1 317 ? 10.335 14.864 27.163 1.00 42.80 ? 658 GLU A CG 1 ATOM 2463 C CD . GLU A 1 317 ? 9.890 15.823 28.246 1.00 49.87 ? 658 GLU A CD 1 ATOM 2464 O OE1 . GLU A 1 317 ? 10.572 16.851 28.430 1.00 53.59 ? 658 GLU A OE1 1 ATOM 2465 O OE2 . GLU A 1 317 ? 8.870 15.562 28.917 1.00 54.11 ? 658 GLU A OE2 1 ATOM 2466 N N . GLU A 1 318 ? 12.103 16.702 23.481 1.00 28.02 ? 659 GLU A N 1 ATOM 2467 C CA . GLU A 1 318 ? 12.178 17.548 22.301 1.00 27.22 ? 659 GLU A CA 1 ATOM 2468 C C . GLU A 1 318 ? 12.736 16.743 21.153 1.00 27.04 ? 659 GLU A C 1 ATOM 2469 O O . GLU A 1 318 ? 12.221 16.828 20.044 1.00 26.78 ? 659 GLU A O 1 ATOM 2470 C CB . GLU A 1 318 ? 13.043 18.789 22.554 1.00 25.64 ? 659 GLU A CB 1 ATOM 2471 C CG . GLU A 1 318 ? 12.330 19.846 23.358 1.00 23.33 ? 659 GLU A CG 1 ATOM 2472 C CD . GLU A 1 318 ? 13.250 20.934 23.805 1.00 22.68 ? 659 GLU A CD 1 ATOM 2473 O OE1 . GLU A 1 318 ? 14.329 20.600 24.322 1.00 23.74 ? 659 GLU A OE1 1 ATOM 2474 O OE2 . GLU A 1 318 ? 12.889 22.114 23.649 1.00 24.08 ? 659 GLU A OE2 1 ATOM 2475 N N . TYR A 1 319 ? 13.775 15.950 21.412 1.00 27.08 ? 660 TYR A N 1 ATOM 2476 C CA . TYR A 1 319 ? 14.361 15.155 20.346 1.00 24.83 ? 660 TYR A CA 1 ATOM 2477 C C . TYR A 1 319 ? 13.320 14.196 19.778 1.00 23.63 ? 660 TYR A C 1 ATOM 2478 O O . TYR A 1 319 ? 13.134 14.136 18.567 1.00 24.03 ? 660 TYR A O 1 ATOM 2479 C CB . TYR A 1 319 ? 15.591 14.363 20.827 1.00 19.61 ? 660 TYR A CB 1 ATOM 2480 C CG . TYR A 1 319 ? 16.187 13.536 19.713 1.00 19.17 ? 660 TYR A CG 1 ATOM 2481 C CD1 . TYR A 1 319 ? 17.083 14.095 18.812 1.00 19.34 ? 660 TYR A CD1 1 ATOM 2482 C CD2 . TYR A 1 319 ? 15.789 12.218 19.513 1.00 15.83 ? 660 TYR A CD2 1 ATOM 2483 C CE1 . TYR A 1 319 ? 17.565 13.362 17.743 1.00 21.44 ? 660 TYR A CE1 1 ATOM 2484 C CE2 . TYR A 1 319 ? 16.248 11.489 18.452 1.00 17.51 ? 660 TYR A CE2 1 ATOM 2485 C CZ . TYR A 1 319 ? 17.139 12.057 17.568 1.00 22.13 ? 660 TYR A CZ 1 ATOM 2486 O OH . TYR A 1 319 ? 17.616 11.328 16.502 1.00 25.00 ? 660 TYR A OH 1 ATOM 2487 N N . LEU A 1 320 ? 12.634 13.456 20.645 1.00 21.23 ? 661 LEU A N 1 ATOM 2488 C CA . LEU A 1 320 ? 11.643 12.500 20.168 1.00 23.26 ? 661 LEU A CA 1 ATOM 2489 C C . LEU A 1 320 ? 10.384 13.177 19.632 1.00 25.59 ? 661 LEU A C 1 ATOM 2490 O O . LEU A 1 320 ? 9.667 12.592 18.811 1.00 25.94 ? 661 LEU A O 1 ATOM 2491 C CB . LEU A 1 320 ? 11.253 11.506 21.268 1.00 17.37 ? 661 LEU A CB 1 ATOM 2492 C CG . LEU A 1 320 ? 12.349 10.643 21.901 1.00 19.72 ? 661 LEU A CG 1 ATOM 2493 C CD1 . LEU A 1 320 ? 11.734 9.820 23.033 1.00 22.36 ? 661 LEU A CD1 1 ATOM 2494 C CD2 . LEU A 1 320 ? 12.991 9.730 20.874 1.00 20.81 ? 661 LEU A CD2 1 ATOM 2495 N N . GLY A 1 321 ? 10.110 14.403 20.070 1.00 26.55 ? 662 GLY A N 1 ATOM 2496 C CA . GLY A 1 321 ? 8.917 15.076 19.583 1.00 30.25 ? 662 GLY A CA 1 ATOM 2497 C C . GLY A 1 321 ? 7.683 14.743 20.395 1.00 33.50 ? 662 GLY A C 1 ATOM 2498 O O . GLY A 1 321 ? 7.514 13.608 20.828 1.00 35.48 ? 662 GLY A O 1 ATOM 2499 N N . THR A 1 322 ? 6.803 15.725 20.576 1.00 37.40 ? 663 THR A N 1 ATOM 2500 C CA . THR A 1 322 ? 5.587 15.534 21.372 1.00 41.31 ? 663 THR A CA 1 ATOM 2501 C C . THR A 1 322 ? 4.741 14.410 20.827 1.00 42.98 ? 663 THR A C 1 ATOM 2502 O O . THR A 1 322 ? 4.115 13.670 21.580 1.00 44.70 ? 663 THR A O 1 ATOM 2503 C CB . THR A 1 322 ? 4.690 16.794 21.414 1.00 42.22 ? 663 THR A CB 1 ATOM 2504 O OG1 . THR A 1 322 ? 5.409 17.930 20.928 1.00 43.03 ? 663 THR A OG1 1 ATOM 2505 C CG2 . THR A 1 322 ? 4.243 17.067 22.845 1.00 40.84 ? 663 THR A CG2 1 ATOM 2506 N N . GLU A 1 323 ? 4.725 14.305 19.505 1.00 44.91 ? 664 GLU A N 1 ATOM 2507 C CA . GLU A 1 323 ? 3.972 13.281 18.799 1.00 46.44 ? 664 GLU A CA 1 ATOM 2508 C C . GLU A 1 323 ? 4.207 11.902 19.381 1.00 43.82 ? 664 GLU A C 1 ATOM 2509 O O . GLU A 1 323 ? 3.321 11.290 19.996 1.00 44.28 ? 664 GLU A O 1 ATOM 2510 C CB . GLU A 1 323 ? 4.373 13.260 17.318 1.00 51.42 ? 664 GLU A CB 1 ATOM 2511 C CG . GLU A 1 323 ? 3.611 14.255 16.475 1.00 59.98 ? 664 GLU A CG 1 ATOM 2512 C CD . GLU A 1 323 ? 2.135 13.901 16.372 1.00 64.67 ? 664 GLU A CD 1 ATOM 2513 O OE1 . GLU A 1 323 ? 1.564 13.419 17.376 1.00 65.14 ? 664 GLU A OE1 1 ATOM 2514 O OE2 . GLU A 1 323 ? 1.542 14.115 15.292 1.00 68.17 ? 664 GLU A OE2 1 ATOM 2515 N N . TYR A 1 324 ? 5.431 11.442 19.168 1.00 38.73 ? 665 TYR A N 1 ATOM 2516 C CA . TYR A 1 324 ? 5.897 10.147 19.601 1.00 35.54 ? 665 TYR A CA 1 ATOM 2517 C C . TYR A 1 324 ? 5.928 9.928 21.113 1.00 34.66 ? 665 TYR A C 1 ATOM 2518 O O . TYR A 1 324 ? 5.646 8.822 21.571 1.00 33.03 ? 665 TYR A O 1 ATOM 2519 C CB . TYR A 1 324 ? 7.276 9.923 19.001 1.00 32.59 ? 665 TYR A CB 1 ATOM 2520 C CG . TYR A 1 324 ? 7.828 8.538 19.187 1.00 30.78 ? 665 TYR A CG 1 ATOM 2521 C CD1 . TYR A 1 324 ? 7.050 7.411 18.932 1.00 27.47 ? 665 TYR A CD1 1 ATOM 2522 C CD2 . TYR A 1 324 ? 9.142 8.354 19.602 1.00 31.48 ? 665 TYR A CD2 1 ATOM 2523 C CE1 . TYR A 1 324 ? 7.572 6.143 19.083 1.00 28.06 ? 665 TYR A CE1 1 ATOM 2524 C CE2 . TYR A 1 324 ? 9.676 7.091 19.746 1.00 29.11 ? 665 TYR A CE2 1 ATOM 2525 C CZ . TYR A 1 324 ? 8.890 5.988 19.494 1.00 28.11 ? 665 TYR A CZ 1 ATOM 2526 O OH . TYR A 1 324 ? 9.448 4.736 19.649 1.00 28.23 ? 665 TYR A OH 1 ATOM 2527 N N . VAL A 1 325 ? 6.263 10.955 21.894 1.00 35.61 ? 666 VAL A N 1 ATOM 2528 C CA . VAL A 1 325 ? 6.293 10.778 23.343 1.00 35.03 ? 666 VAL A CA 1 ATOM 2529 C C . VAL A 1 325 ? 4.899 10.398 23.786 1.00 37.13 ? 666 VAL A C 1 ATOM 2530 O O . VAL A 1 325 ? 4.715 9.563 24.671 1.00 37.76 ? 666 VAL A O 1 ATOM 2531 C CB . VAL A 1 325 ? 6.649 12.069 24.101 1.00 33.75 ? 666 VAL A CB 1 ATOM 2532 C CG1 . VAL A 1 325 ? 6.552 11.818 25.601 1.00 32.35 ? 666 VAL A CG1 1 ATOM 2533 C CG2 . VAL A 1 325 ? 8.050 12.513 23.749 1.00 36.20 ? 666 VAL A CG2 1 ATOM 2534 N N . THR A 1 326 ? 3.917 11.038 23.165 1.00 39.96 ? 667 THR A N 1 ATOM 2535 C CA . THR A 1 326 ? 2.530 10.788 23.491 1.00 42.44 ? 667 THR A CA 1 ATOM 2536 C C . THR A 1 326 ? 2.148 9.375 23.053 1.00 42.15 ? 667 THR A C 1 ATOM 2537 O O . THR A 1 326 ? 1.406 8.689 23.755 1.00 42.50 ? 667 THR A O 1 ATOM 2538 C CB . THR A 1 326 ? 1.617 11.876 22.841 1.00 43.80 ? 667 THR A CB 1 ATOM 2539 O OG1 . THR A 1 326 ? 0.767 12.442 23.848 1.00 46.75 ? 667 THR A OG1 1 ATOM 2540 C CG2 . THR A 1 326 ? 0.756 11.295 21.727 1.00 45.51 ? 667 THR A CG2 1 ATOM 2541 N N . ALA A 1 327 ? 2.660 8.925 21.911 1.00 41.25 ? 668 ALA A N 1 ATOM 2542 C CA . ALA A 1 327 ? 2.338 7.575 21.460 1.00 40.56 ? 668 ALA A CA 1 ATOM 2543 C C . ALA A 1 327 ? 2.809 6.564 22.505 1.00 39.97 ? 668 ALA A C 1 ATOM 2544 O O . ALA A 1 327 ? 2.032 5.716 22.956 1.00 40.26 ? 668 ALA A O 1 ATOM 2545 C CB . ALA A 1 327 ? 3.002 7.288 20.109 1.00 38.63 ? 668 ALA A CB 1 ATOM 2546 N N . ILE A 1 328 ? 4.081 6.668 22.894 1.00 38.72 ? 669 ILE A N 1 ATOM 2547 C CA . ILE A 1 328 ? 4.670 5.763 23.886 1.00 38.89 ? 669 ILE A CA 1 ATOM 2548 C C . ILE A 1 328 ? 3.974 5.785 25.241 1.00 39.63 ? 669 ILE A C 1 ATOM 2549 O O . ILE A 1 328 ? 3.779 4.738 25.857 1.00 38.11 ? 669 ILE A O 1 ATOM 2550 C CB . ILE A 1 328 ? 6.148 6.080 24.150 1.00 38.81 ? 669 ILE A CB 1 ATOM 2551 C CG1 . ILE A 1 328 ? 6.961 5.930 22.867 1.00 40.46 ? 669 ILE A CG1 1 ATOM 2552 C CG2 . ILE A 1 328 ? 6.692 5.135 25.214 1.00 37.77 ? 669 ILE A CG2 1 ATOM 2553 C CD1 . ILE A 1 328 ? 8.325 6.595 22.929 1.00 43.20 ? 669 ILE A CD1 1 ATOM 2554 N N . ALA A 1 329 ? 3.611 6.974 25.707 1.00 39.57 ? 670 ALA A N 1 ATOM 2555 C CA . ALA A 1 329 ? 2.939 7.101 26.985 1.00 39.69 ? 670 ALA A CA 1 ATOM 2556 C C . ALA A 1 329 ? 1.635 6.313 26.948 1.00 41.51 ? 670 ALA A C 1 ATOM 2557 O O . ALA A 1 329 ? 1.373 5.498 27.827 1.00 41.22 ? 670 ALA A O 1 ATOM 2558 C CB . ALA A 1 329 ? 2.656 8.561 27.278 1.00 38.62 ? 670 ALA A CB 1 ATOM 2559 N N . ASN A 1 330 ? 0.819 6.547 25.923 1.00 43.03 ? 671 ASN A N 1 ATOM 2560 C CA . ASN A 1 330 ? -0.459 5.853 25.809 1.00 44.71 ? 671 ASN A CA 1 ATOM 2561 C C . ASN A 1 330 ? -0.358 4.331 25.713 1.00 43.64 ? 671 ASN A C 1 ATOM 2562 O O . ASN A 1 330 ? -1.280 3.622 26.123 1.00 43.54 ? 671 ASN A O 1 ATOM 2563 C CB . ASN A 1 330 ? -1.248 6.398 24.613 1.00 48.53 ? 671 ASN A CB 1 ATOM 2564 C CG . ASN A 1 330 ? -1.931 7.722 24.921 1.00 53.47 ? 671 ASN A CG 1 ATOM 2565 O OD1 . ASN A 1 330 ? -2.761 7.805 25.825 1.00 56.05 ? 671 ASN A OD1 1 ATOM 2566 N ND2 . ASN A 1 330 ? -1.580 8.762 24.175 1.00 55.56 ? 671 ASN A ND2 1 ATOM 2567 N N . LEU A 1 331 ? 0.751 3.828 25.178 1.00 41.94 ? 672 LEU A N 1 ATOM 2568 C CA . LEU A 1 331 ? 0.936 2.386 25.032 1.00 39.57 ? 672 LEU A CA 1 ATOM 2569 C C . LEU A 1 331 ? 1.446 1.765 26.324 1.00 39.32 ? 672 LEU A C 1 ATOM 2570 O O . LEU A 1 331 ? 1.033 0.674 26.712 1.00 36.93 ? 672 LEU A O 1 ATOM 2571 C CB . LEU A 1 331 ? 1.914 2.121 23.883 1.00 37.82 ? 672 LEU A CB 1 ATOM 2572 C CG . LEU A 1 331 ? 2.508 0.724 23.643 1.00 36.67 ? 672 LEU A CG 1 ATOM 2573 C CD1 . LEU A 1 331 ? 1.413 -0.285 23.343 1.00 35.79 ? 672 LEU A CD1 1 ATOM 2574 C CD2 . LEU A 1 331 ? 3.500 0.808 22.486 1.00 33.19 ? 672 LEU A CD2 1 ATOM 2575 N N . LYS A 1 332 ? 2.334 2.494 26.994 1.00 42.03 ? 673 LYS A N 1 ATOM 2576 C CA . LYS A 1 332 ? 2.944 2.055 28.250 1.00 42.61 ? 673 LYS A CA 1 ATOM 2577 C C . LYS A 1 332 ? 1.992 1.977 29.430 1.00 44.42 ? 673 LYS A C 1 ATOM 2578 O O . LYS A 1 332 ? 2.292 1.311 30.418 1.00 43.08 ? 673 LYS A O 1 ATOM 2579 C CB . LYS A 1 332 ? 4.113 2.975 28.601 1.00 43.36 ? 673 LYS A CB 1 ATOM 2580 C CG . LYS A 1 332 ? 5.345 2.798 27.724 1.00 45.84 ? 673 LYS A CG 1 ATOM 2581 C CD . LYS A 1 332 ? 6.268 1.727 28.288 1.00 48.42 ? 673 LYS A CD 1 ATOM 2582 C CE . LYS A 1 332 ? 7.459 1.472 27.374 1.00 50.85 ? 673 LYS A CE 1 ATOM 2583 N NZ . LYS A 1 332 ? 8.224 2.715 27.084 1.00 48.92 ? 673 LYS A NZ 1 ATOM 2584 N N . LYS A 1 333 ? 0.844 2.642 29.353 1.00 47.40 ? 674 LYS A N 1 ATOM 2585 C CA . LYS A 1 333 ? -0.090 2.565 30.486 1.00 50.76 ? 674 LYS A CA 1 ATOM 2586 C C . LYS A 1 333 ? -0.832 1.233 30.491 1.00 50.90 ? 674 LYS A C 1 ATOM 2587 O O . LYS A 1 333 ? -1.562 0.913 31.422 1.00 51.07 ? 674 LYS A O 1 ATOM 2588 C CB . LYS A 1 333 ? -1.071 3.753 30.504 1.00 53.83 ? 674 LYS A CB 1 ATOM 2589 C CG . LYS A 1 333 ? -2.323 3.674 29.637 1.00 59.69 ? 674 LYS A CG 1 ATOM 2590 C CD . LYS A 1 333 ? -3.188 4.916 29.948 1.00 63.62 ? 674 LYS A CD 1 ATOM 2591 C CE . LYS A 1 333 ? -4.606 4.793 29.408 1.00 66.29 ? 674 LYS A CE 1 ATOM 2592 N NZ . LYS A 1 333 ? -5.206 3.525 29.910 1.00 67.56 ? 674 LYS A NZ 1 ATOM 2593 N N . CYS A 1 334 ? -0.610 0.458 29.439 1.00 51.85 ? 675 CYS A N 1 ATOM 2594 C CA . CYS A 1 334 ? -1.204 -0.864 29.279 1.00 53.00 ? 675 CYS A CA 1 ATOM 2595 C C . CYS A 1 334 ? -0.347 -1.952 29.946 1.00 56.45 ? 675 CYS A C 1 ATOM 2596 O O . CYS A 1 334 ? -0.844 -3.018 30.307 1.00 57.99 ? 675 CYS A O 1 ATOM 2597 C CB . CYS A 1 334 ? -1.331 -1.198 27.802 1.00 50.35 ? 675 CYS A CB 1 ATOM 2598 S SG . CYS A 1 334 ? -2.851 -0.734 26.882 1.00 48.62 ? 675 CYS A SG 1 ATOM 2599 N N . SER A 1 335 ? 0.949 -1.686 30.076 1.00 59.59 ? 676 SER A N 1 ATOM 2600 C CA . SER A 1 335 ? 1.871 -2.631 30.693 1.00 62.05 ? 676 SER A CA 1 ATOM 2601 C C . SER A 1 335 ? 1.877 -2.519 32.210 1.00 63.16 ? 676 SER A C 1 ATOM 2602 O O . SER A 1 335 ? 1.360 -3.401 32.902 1.00 63.99 ? 676 SER A O 1 ATOM 2603 C CB . SER A 1 335 ? 3.292 -2.438 30.141 1.00 62.55 ? 676 SER A CB 1 ATOM 2604 O OG . SER A 1 335 ? 3.445 -3.178 28.942 1.00 65.97 ? 676 SER A OG 1 ATOM 2605 N N . LEU A 1 340 ? 4.006 6.079 35.226 1.00 93.01 ? 681 LEU A N 1 ATOM 2606 C CA . LEU A 1 340 ? 3.697 6.887 34.040 1.00 93.15 ? 681 LEU A CA 1 ATOM 2607 C C . LEU A 1 340 ? 4.662 8.062 33.819 1.00 92.34 ? 681 LEU A C 1 ATOM 2608 O O . LEU A 1 340 ? 4.469 8.922 32.955 1.00 91.43 ? 681 LEU A O 1 ATOM 2609 C CB . LEU A 1 340 ? 2.244 7.360 34.096 1.00 92.92 ? 681 LEU A CB 1 ATOM 2610 C CG . LEU A 1 340 ? 1.275 6.326 33.472 1.00 92.26 ? 681 LEU A CG 1 ATOM 2611 C CD1 . LEU A 1 340 ? 1.370 4.983 34.198 1.00 92.16 ? 681 LEU A CD1 1 ATOM 2612 C CD2 . LEU A 1 340 ? -0.153 6.842 33.524 1.00 92.04 ? 681 LEU A CD2 1 ATOM 2613 N N . GLU A 1 341 ? 5.527 8.350 34.882 1.00 82.80 ? 682 GLU A N 1 ATOM 2614 C CA . GLU A 1 341 ? 6.889 8.945 34.670 1.00 81.27 ? 682 GLU A CA 1 ATOM 2615 C C . GLU A 1 341 ? 7.831 8.044 35.488 1.00 78.36 ? 682 GLU A C 1 ATOM 2616 O O . GLU A 1 341 ? 7.584 7.786 36.677 1.00 78.79 ? 682 GLU A O 1 ATOM 2617 C CB . GLU A 1 341 ? 7.092 10.389 35.219 1.00 81.46 ? 682 GLU A CB 1 ATOM 2618 C CG . GLU A 1 341 ? 6.166 10.766 36.470 1.00 83.13 ? 682 GLU A CG 1 ATOM 2619 C CD . GLU A 1 341 ? 6.731 12.107 37.026 1.00 84.08 ? 682 GLU A CD 1 ATOM 2620 O OE1 . GLU A 1 341 ? 7.883 12.129 37.578 1.00 84.94 ? 682 GLU A OE1 1 ATOM 2621 O OE2 . GLU A 1 341 ? 6.018 13.134 36.909 1.00 87.13 ? 682 GLU A OE2 1 ATOM 2622 N N . ALA A 1 342 ? 8.920 7.576 34.909 1.00 74.37 ? 683 ALA A N 1 ATOM 2623 C CA . ALA A 1 342 ? 9.577 6.481 35.584 1.00 69.47 ? 683 ALA A CA 1 ATOM 2624 C C . ALA A 1 342 ? 10.943 6.770 36.237 1.00 66.02 ? 683 ALA A C 1 ATOM 2625 O O . ALA A 1 342 ? 11.067 7.397 37.308 1.00 65.46 ? 683 ALA A O 1 ATOM 2626 C CB . ALA A 1 342 ? 9.616 5.236 34.622 1.00 69.85 ? 683 ALA A CB 1 ATOM 2627 N N . CYS A 1 343 ? 11.925 6.353 35.440 1.00 60.12 ? 684 CYS A N 1 ATOM 2628 C CA . CYS A 1 343 ? 13.227 5.705 35.731 1.00 58.84 ? 684 CYS A CA 1 ATOM 2629 C C . CYS A 1 343 ? 12.840 4.352 36.230 1.00 59.84 ? 684 CYS A C 1 ATOM 2630 O O . CYS A 1 343 ? 12.713 4.070 37.448 1.00 59.76 ? 684 CYS A O 1 ATOM 2631 C CB . CYS A 1 343 ? 14.290 6.380 36.550 1.00 56.28 ? 684 CYS A CB 1 ATOM 2632 S SG . CYS A 1 343 ? 15.840 5.510 35.950 1.00 46.34 ? 684 CYS A SG 1 ATOM 2633 N N . ALA A 1 344 ? 12.560 3.591 35.167 1.00 60.74 ? 685 ALA A N 1 ATOM 2634 C CA . ALA A 1 344 ? 12.055 2.252 35.147 1.00 61.78 ? 685 ALA A CA 1 ATOM 2635 C C . ALA A 1 344 ? 13.181 1.301 35.510 1.00 62.12 ? 685 ALA A C 1 ATOM 2636 O O . ALA A 1 344 ? 13.040 0.082 35.314 1.00 63.19 ? 685 ALA A O 1 ATOM 2637 C CB . ALA A 1 344 ? 11.485 1.931 33.731 1.00 62.38 ? 685 ALA A CB 1 ATOM 2638 N N . PHE A 1 345 ? 14.214 1.831 36.294 1.00 70.28 ? 686 PHE A N 1 ATOM 2639 C CA . PHE A 1 345 ? 15.324 1.052 36.841 1.00 69.52 ? 686 PHE A CA 1 ATOM 2640 C C . PHE A 1 345 ? 15.612 1.647 38.210 1.00 70.61 ? 686 PHE A C 1 ATOM 2641 O O . PHE A 1 345 ? 16.512 1.147 38.921 1.00 70.15 ? 686 PHE A O 1 ATOM 2642 C CB . PHE A 1 345 ? 16.573 1.199 35.975 1.00 67.92 ? 686 PHE A CB 1 ATOM 2643 C CG . PHE A 1 345 ? 16.380 0.807 34.541 1.00 67.06 ? 686 PHE A CG 1 ATOM 2644 C CD1 . PHE A 1 345 ? 16.160 -0.513 34.192 1.00 65.85 ? 686 PHE A CD1 1 ATOM 2645 C CD2 . PHE A 1 345 ? 16.486 1.759 33.532 1.00 66.34 ? 686 PHE A CD2 1 ATOM 2646 C CE1 . PHE A 1 345 ? 16.049 -0.888 32.859 1.00 65.14 ? 686 PHE A CE1 1 ATOM 2647 C CE2 . PHE A 1 345 ? 16.378 1.401 32.187 1.00 64.13 ? 686 PHE A CE2 1 ATOM 2648 C CZ . PHE A 1 345 ? 16.162 0.069 31.847 1.00 63.74 ? 686 PHE A CZ 1 ATOM 2649 O OXT . PHE A 1 345 ? 14.924 2.633 38.550 1.00 70.61 ? 686 PHE A OXT 1 HETATM 2650 C C1 . LBT B 2 . ? 9.537 17.859 18.079 0.50 39.25 ? 11 LBT A C1 1 HETATM 2651 C C2 . LBT B 2 . ? 10.164 19.235 18.023 0.50 38.12 ? 11 LBT A C2 1 HETATM 2652 C C3 . LBT B 2 . ? 10.954 19.422 19.298 0.50 36.15 ? 11 LBT A C3 1 HETATM 2653 C C4 . LBT B 2 . ? 9.984 19.416 20.463 0.50 37.58 ? 11 LBT A C4 1 HETATM 2654 C C5 . LBT B 2 . ? 9.180 18.111 20.465 0.50 37.98 ? 11 LBT A C5 1 HETATM 2655 C C6 . LBT B 2 . ? 8.139 18.163 21.595 0.50 38.97 ? 11 LBT A C6 1 HETATM 2656 O O1 . LBT B 2 . ? 8.968 17.626 16.773 0.50 42.16 ? 11 LBT A O1 1 HETATM 2657 O O2 . LBT B 2 . ? 10.971 19.351 16.876 0.50 40.04 ? 11 LBT A O2 1 HETATM 2658 O O3 . LBT B 2 . ? 11.628 20.650 19.319 0.50 38.17 ? 11 LBT A O3 1 HETATM 2659 O O4 . LBT B 2 . ? 9.170 20.587 20.520 0.50 34.68 ? 11 LBT A O4 1 HETATM 2660 O O5 . LBT B 2 . ? 8.614 17.868 19.186 0.50 37.60 ? 11 LBT A O5 1 HETATM 2661 O O6 . LBT B 2 . ? 8.243 17.007 22.437 0.50 41.66 ? 11 LBT A O6 1 HETATM 2662 C "C1'" . LBT B 2 . ? 5.664 17.573 14.518 0.50 49.09 ? 11 LBT A "C1'" 1 HETATM 2663 C "C2'" . LBT B 2 . ? 5.304 17.719 15.987 0.50 45.47 ? 11 LBT A "C2'" 1 HETATM 2664 C "C3'" . LBT B 2 . ? 6.583 18.050 16.757 0.50 44.78 ? 11 LBT A "C3'" 1 HETATM 2665 C "C4'" . LBT B 2 . ? 7.701 17.014 16.511 0.50 44.15 ? 11 LBT A "C4'" 1 HETATM 2666 C "C5'" . LBT B 2 . ? 7.868 16.629 15.044 0.50 47.08 ? 11 LBT A "C5'" 1 HETATM 2667 C "C6'" . LBT B 2 . ? 8.582 15.256 14.976 0.50 40.12 ? 11 LBT A "C6'" 1 HETATM 2668 O "O1'" . LBT B 2 . ? 6.102 18.838 14.048 0.50 41.24 ? 11 LBT A "O1'" 1 HETATM 2669 O "O2'" . LBT B 2 . ? 4.430 18.813 16.061 0.50 41.01 ? 11 LBT A "O2'" 1 HETATM 2670 O "O3'" . LBT B 2 . ? 6.265 18.170 18.146 0.50 43.62 ? 11 LBT A "O3'" 1 HETATM 2671 O "O5'" . LBT B 2 . ? 6.623 16.524 14.356 0.50 48.99 ? 11 LBT A "O5'" 1 HETATM 2672 O "O6'" . LBT B 2 . ? 9.234 15.061 13.725 0.50 49.24 ? 11 LBT A "O6'" 1 HETATM 2673 C C1 . NAG C 3 . ? -3.367 6.180 20.435 1.00 54.18 ? 1 NAG A C1 1 HETATM 2674 C C2 . NAG C 3 . ? -2.385 7.101 19.708 1.00 55.24 ? 1 NAG A C2 1 HETATM 2675 C C3 . NAG C 3 . ? -2.087 8.376 20.494 1.00 58.80 ? 1 NAG A C3 1 HETATM 2676 C C4 . NAG C 3 . ? -3.375 8.984 21.022 1.00 62.73 ? 1 NAG A C4 1 HETATM 2677 C C5 . NAG C 3 . ? -4.156 7.933 21.794 1.00 61.61 ? 1 NAG A C5 1 HETATM 2678 C C6 . NAG C 3 . ? -5.414 8.457 22.456 1.00 61.34 ? 1 NAG A C6 1 HETATM 2679 C C7 . NAG C 3 . ? -0.681 6.159 18.297 1.00 51.29 ? 1 NAG A C7 1 HETATM 2680 C C8 . NAG C 3 . ? 0.526 5.241 18.201 1.00 51.11 ? 1 NAG A C8 1 HETATM 2681 N N2 . NAG C 3 . ? -1.142 6.392 19.516 1.00 52.27 ? 1 NAG A N2 1 HETATM 2682 O O3 . NAG C 3 . ? -1.426 9.323 19.657 1.00 57.29 ? 1 NAG A O3 1 HETATM 2683 O O4 . NAG C 3 . ? -3.062 10.070 21.894 1.00 63.20 ? 1 NAG A O4 1 HETATM 2684 O O5 . NAG C 3 . ? -4.524 6.887 20.893 1.00 58.37 ? 1 NAG A O5 1 HETATM 2685 O O6 . NAG C 3 . ? -6.183 9.224 21.544 1.00 60.86 ? 1 NAG A O6 1 HETATM 2686 O O7 . NAG C 3 . ? -1.177 6.640 17.285 1.00 54.52 ? 1 NAG A O7 1 HETATM 2687 C C1 . NAG D 3 . ? -3.722 11.293 21.506 1.00 60.10 ? 2 NAG A C1 1 HETATM 2688 C C2 . NAG D 3 . ? -3.703 12.208 22.721 1.00 63.41 ? 2 NAG A C2 1 HETATM 2689 C C3 . NAG D 3 . ? -4.079 13.638 22.369 1.00 66.36 ? 2 NAG A C3 1 HETATM 2690 C C4 . NAG D 3 . ? -3.276 14.088 21.173 1.00 68.20 ? 2 NAG A C4 1 HETATM 2691 C C5 . NAG D 3 . ? -3.387 13.115 20.010 1.00 66.91 ? 2 NAG A C5 1 HETATM 2692 C C6 . NAG D 3 . ? -2.480 13.539 18.876 1.00 66.77 ? 2 NAG A C6 1 HETATM 2693 C C7 . NAG D 3 . ? -4.218 11.380 24.903 1.00 63.66 ? 2 NAG A C7 1 HETATM 2694 C C8 . NAG D 3 . ? -5.265 10.897 25.893 1.00 62.93 ? 2 NAG A C8 1 HETATM 2695 N N2 . NAG D 3 . ? -4.641 11.689 23.686 1.00 63.85 ? 2 NAG A N2 1 HETATM 2696 O O3 . NAG D 3 . ? -3.779 14.487 23.469 1.00 68.70 ? 2 NAG A O3 1 HETATM 2697 O O4 . NAG D 3 . ? -3.734 15.372 20.767 1.00 63.06 ? 2 NAG A O4 1 HETATM 2698 O O5 . NAG D 3 . ? -2.933 11.821 20.432 1.00 63.29 ? 2 NAG A O5 1 HETATM 2699 O O6 . NAG D 3 . ? -1.118 13.384 19.250 1.00 66.41 ? 2 NAG A O6 1 HETATM 2700 O O7 . NAG D 3 . ? -3.040 11.476 25.246 1.00 64.39 ? 2 NAG A O7 1 HETATM 2701 C C1 . MAN E 4 . ? -2.681 16.348 20.716 1.00 67.65 ? 3 MAN A C1 1 HETATM 2702 C C2 . MAN E 4 . ? -2.059 16.560 22.138 1.00 69.37 ? 3 MAN A C2 1 HETATM 2703 C C3 . MAN E 4 . ? -2.469 17.860 22.792 1.00 69.87 ? 3 MAN A C3 1 HETATM 2704 C C4 . MAN E 4 . ? -2.191 18.894 21.762 1.00 69.78 ? 3 MAN A C4 1 HETATM 2705 C C5 . MAN E 4 . ? -3.315 18.796 20.740 1.00 69.61 ? 3 MAN A C5 1 HETATM 2706 C C6 . MAN E 4 . ? -2.904 19.733 19.674 1.00 69.39 ? 3 MAN A C6 1 HETATM 2707 O O2 . MAN E 4 . ? -0.635 16.487 22.095 1.00 60.40 ? 3 MAN A O2 1 HETATM 2708 O O3 . MAN E 4 . ? -1.677 18.100 23.947 1.00 60.14 ? 3 MAN A O3 1 HETATM 2709 O O4 . MAN E 4 . ? -2.053 20.204 22.383 1.00 60.68 ? 3 MAN A O4 1 HETATM 2710 O O5 . MAN E 4 . ? -3.315 17.506 20.067 1.00 68.28 ? 3 MAN A O5 1 HETATM 2711 O O6 . MAN E 4 . ? -1.516 19.530 19.488 1.00 60.07 ? 3 MAN A O6 1 HETATM 2712 C C1 . BMA F 5 . ? -2.185 21.424 21.624 1.00 60.68 ? 4 BMA A C1 1 HETATM 2713 C C2 . BMA F 5 . ? -3.417 22.115 22.201 1.00 60.68 ? 4 BMA A C2 1 HETATM 2714 C C3 . BMA F 5 . ? -3.536 23.625 21.911 1.00 60.68 ? 4 BMA A C3 1 HETATM 2715 C C4 . BMA F 5 . ? -2.203 24.344 22.076 1.00 60.44 ? 4 BMA A C4 1 HETATM 2716 C C5 . BMA F 5 . ? -1.090 23.574 21.386 1.00 60.43 ? 4 BMA A C5 1 HETATM 2717 C C6 . BMA F 5 . ? 0.226 24.266 21.657 1.00 60.68 ? 4 BMA A C6 1 HETATM 2718 O O2 . BMA F 5 . ? -3.409 21.926 23.601 1.00 60.68 ? 4 BMA A O2 1 HETATM 2719 O O3 . BMA F 5 . ? -4.449 24.175 22.850 1.00 60.68 ? 4 BMA A O3 1 HETATM 2720 O O4 . BMA F 5 . ? -2.277 25.654 21.534 1.00 60.11 ? 4 BMA A O4 1 HETATM 2721 O O5 . BMA F 5 . ? -1.009 22.219 21.923 1.00 60.68 ? 4 BMA A O5 1 HETATM 2722 O O6 . BMA F 5 . ? 1.321 23.472 21.225 1.00 60.68 ? 4 BMA A O6 1 HETATM 2723 C C1 . MAN G 4 . ? -1.196 20.051 18.189 1.00 60.46 ? 5 MAN A C1 1 HETATM 2724 C C2 . MAN G 4 . ? 0.041 20.792 18.754 1.00 60.03 ? 5 MAN A C2 1 HETATM 2725 C C3 . MAN G 4 . ? 0.399 22.156 18.111 1.00 60.62 ? 5 MAN A C3 1 HETATM 2726 C C4 . MAN G 4 . ? -0.185 22.376 16.713 1.00 60.52 ? 5 MAN A C4 1 HETATM 2727 C C5 . MAN G 4 . ? -1.544 21.720 16.564 1.00 60.55 ? 5 MAN A C5 1 HETATM 2728 C C6 . MAN G 4 . ? -2.023 21.852 15.150 1.00 60.36 ? 5 MAN A C6 1 HETATM 2729 O O2 . MAN G 4 . ? 1.183 19.952 18.694 1.00 60.25 ? 5 MAN A O2 1 HETATM 2730 O O3 . MAN G 4 . ? 1.813 22.211 17.992 1.00 60.28 ? 5 MAN A O3 1 HETATM 2731 O O4 . MAN G 4 . ? -0.283 23.765 16.431 1.00 60.30 ? 5 MAN A O4 1 HETATM 2732 O O5 . MAN G 4 . ? -1.393 20.317 16.805 1.00 60.42 ? 5 MAN A O5 1 HETATM 2733 O O6 . MAN G 4 . ? -1.255 21.004 14.315 1.00 60.11 ? 5 MAN A O6 1 HETATM 2734 C C1 . NAG H 3 . ? 43.339 10.056 20.772 1.00 60.67 ? 687 NAG A C1 1 HETATM 2735 C C2 . NAG H 3 . ? 43.718 10.104 19.289 1.00 63.92 ? 687 NAG A C2 1 HETATM 2736 C C3 . NAG H 3 . ? 44.856 11.087 19.006 1.00 67.85 ? 687 NAG A C3 1 HETATM 2737 C C4 . NAG H 3 . ? 44.580 12.448 19.650 1.00 68.54 ? 687 NAG A C4 1 HETATM 2738 C C5 . NAG H 3 . ? 44.077 12.339 21.086 1.00 66.28 ? 687 NAG A C5 1 HETATM 2739 C C6 . NAG H 3 . ? 43.471 13.693 21.346 1.00 68.13 ? 687 NAG A C6 1 HETATM 2740 C C7 . NAG H 3 . ? 43.275 8.140 17.962 1.00 61.81 ? 687 NAG A C7 1 HETATM 2741 C C8 . NAG H 3 . ? 43.909 7.032 17.133 1.00 59.64 ? 687 NAG A C8 1 HETATM 2742 N N2 . NAG H 3 . ? 44.078 8.789 18.803 1.00 63.02 ? 687 NAG A N2 1 HETATM 2743 O O3 . NAG H 3 . ? 44.993 11.268 17.593 1.00 68.22 ? 687 NAG A O3 1 HETATM 2744 O O4 . NAG H 3 . ? 45.785 13.252 19.671 1.00 64.03 ? 687 NAG A O4 1 HETATM 2745 O O5 . NAG H 3 . ? 42.998 11.383 21.207 1.00 62.73 ? 687 NAG A O5 1 HETATM 2746 O O6 . NAG H 3 . ? 42.617 14.032 20.263 1.00 69.06 ? 687 NAG A O6 1 HETATM 2747 O O7 . NAG H 3 . ? 42.077 8.401 17.828 1.00 58.53 ? 687 NAG A O7 1 HETATM 2748 C C1 . NAG I 3 . ? 45.816 14.477 18.923 1.00 69.06 ? 688 NAG A C1 1 HETATM 2749 C C2 . NAG I 3 . ? 47.095 15.265 19.238 1.00 61.34 ? 688 NAG A C2 1 HETATM 2750 C C3 . NAG I 3 . ? 47.123 16.549 18.430 1.00 61.77 ? 688 NAG A C3 1 HETATM 2751 C C4 . NAG I 3 . ? 47.223 16.115 16.993 1.00 61.92 ? 688 NAG A C4 1 HETATM 2752 C C5 . NAG I 3 . ? 45.999 15.261 16.617 1.00 61.17 ? 688 NAG A C5 1 HETATM 2753 C C6 . NAG I 3 . ? 46.283 14.662 15.270 1.00 61.27 ? 688 NAG A C6 1 HETATM 2754 C C7 . NAG I 3 . ? 46.318 15.951 21.451 1.00 60.48 ? 688 NAG A C7 1 HETATM 2755 C C8 . NAG I 3 . ? 45.195 16.832 20.922 1.00 69.43 ? 688 NAG A C8 1 HETATM 2756 N N2 . NAG I 3 . ? 47.299 15.557 20.643 1.00 61.23 ? 688 NAG A N2 1 HETATM 2757 O O3 . NAG I 3 . ? 48.266 17.308 18.794 1.00 63.95 ? 688 NAG A O3 1 HETATM 2758 O O4 . NAG I 3 . ? 47.349 17.230 16.121 1.00 61.09 ? 688 NAG A O4 1 HETATM 2759 O O5 . NAG I 3 . ? 45.830 14.127 17.525 1.00 61.83 ? 688 NAG A O5 1 HETATM 2760 O O6 . NAG I 3 . ? 47.318 13.690 15.376 1.00 67.15 ? 688 NAG A O6 1 HETATM 2761 O O7 . NAG I 3 . ? 46.309 15.630 22.633 1.00 69.25 ? 688 NAG A O7 1 HETATM 2762 C C1 . NAG J 3 . ? 13.492 4.180 1.258 1.00 33.02 ? 689 NAG A C1 1 HETATM 2763 C C2 . NAG J 3 . ? 13.551 5.568 0.625 1.00 36.60 ? 689 NAG A C2 1 HETATM 2764 C C3 . NAG J 3 . ? 14.493 5.573 -0.578 1.00 39.52 ? 689 NAG A C3 1 HETATM 2765 C C4 . NAG J 3 . ? 15.865 5.012 -0.216 1.00 41.62 ? 689 NAG A C4 1 HETATM 2766 C C5 . NAG J 3 . ? 15.699 3.658 0.499 1.00 37.95 ? 689 NAG A C5 1 HETATM 2767 C C6 . NAG J 3 . ? 17.009 3.133 1.042 1.00 36.16 ? 689 NAG A C6 1 HETATM 2768 C C7 . NAG J 3 . ? 11.680 7.071 0.744 1.00 38.06 ? 689 NAG A C7 1 HETATM 2769 C C8 . NAG J 3 . ? 10.405 7.579 0.087 1.00 38.36 ? 689 NAG A C8 1 HETATM 2770 N N2 . NAG J 3 . ? 12.225 5.978 0.222 1.00 35.29 ? 689 NAG A N2 1 HETATM 2771 O O3 . NAG J 3 . ? 14.645 6.898 -1.058 1.00 43.23 ? 689 NAG A O3 1 HETATM 2772 O O4 . NAG J 3 . ? 16.631 4.839 -1.426 1.00 52.20 ? 689 NAG A O4 1 HETATM 2773 O O5 . NAG J 3 . ? 14.811 3.785 1.632 1.00 34.82 ? 689 NAG A O5 1 HETATM 2774 O O6 . NAG J 3 . ? 17.550 4.024 2.002 1.00 35.91 ? 689 NAG A O6 1 HETATM 2775 O O7 . NAG J 3 . ? 12.159 7.670 1.714 1.00 39.86 ? 689 NAG A O7 1 HETATM 2776 C C1 . NAG K 3 . ? 17.974 5.358 -1.391 1.00 59.91 ? 690 NAG A C1 1 HETATM 2777 C C2 . NAG K 3 . ? 18.752 4.573 -2.470 1.00 63.21 ? 690 NAG A C2 1 HETATM 2778 C C3 . NAG K 3 . ? 20.051 5.267 -2.855 1.00 65.99 ? 690 NAG A C3 1 HETATM 2779 C C4 . NAG K 3 . ? 19.851 6.736 -3.179 1.00 60.43 ? 690 NAG A C4 1 HETATM 2780 C C5 . NAG K 3 . ? 19.128 7.374 -1.976 1.00 67.45 ? 690 NAG A C5 1 HETATM 2781 C C6 . NAG K 3 . ? 18.874 8.858 -2.092 1.00 66.05 ? 690 NAG A C6 1 HETATM 2782 C C7 . NAG K 3 . ? 18.779 2.182 -2.685 1.00 62.85 ? 690 NAG A C7 1 HETATM 2783 C C8 . NAG K 3 . ? 19.518 0.896 -2.345 1.00 62.53 ? 690 NAG A C8 1 HETATM 2784 N N2 . NAG K 3 . ? 19.079 3.257 -1.962 1.00 62.81 ? 690 NAG A N2 1 HETATM 2785 O O3 . NAG K 3 . ? 20.649 4.613 -3.963 1.00 64.80 ? 690 NAG A O3 1 HETATM 2786 O O4 . NAG K 3 . ? 21.167 7.290 -3.288 1.00 69.59 ? 690 NAG A O4 1 HETATM 2787 O O5 . NAG K 3 . ? 17.847 6.738 -1.756 1.00 63.49 ? 690 NAG A O5 1 HETATM 2788 O O6 . NAG K 3 . ? 17.593 9.208 -1.574 1.00 65.91 ? 690 NAG A O6 1 HETATM 2789 O O7 . NAG K 3 . ? 17.942 2.193 -3.596 1.00 62.38 ? 690 NAG A O7 1 HETATM 2790 C C1 . BMA L 5 . ? 21.590 8.076 -4.414 1.00 65.50 ? 691 BMA A C1 1 HETATM 2791 C C2 . BMA L 5 . ? 22.858 8.701 -3.849 1.00 67.79 ? 691 BMA A C2 1 HETATM 2792 C C3 . BMA L 5 . ? 23.887 9.190 -4.857 1.00 69.82 ? 691 BMA A C3 1 HETATM 2793 C C4 . BMA L 5 . ? 23.869 8.510 -6.240 1.00 62.48 ? 691 BMA A C4 1 HETATM 2794 C C5 . BMA L 5 . ? 22.514 7.863 -6.616 1.00 62.51 ? 691 BMA A C5 1 HETATM 2795 C C6 . BMA L 5 . ? 22.705 6.833 -7.700 1.00 63.36 ? 691 BMA A C6 1 HETATM 2796 O O2 . BMA L 5 . ? 23.490 7.769 -2.992 1.00 69.37 ? 691 BMA A O2 1 HETATM 2797 O O3 . BMA L 5 . ? 25.173 8.974 -4.300 1.00 67.59 ? 691 BMA A O3 1 HETATM 2798 O O4 . BMA L 5 . ? 24.286 9.457 -7.267 1.00 65.37 ? 691 BMA A O4 1 HETATM 2799 O O5 . BMA L 5 . ? 21.954 7.171 -5.477 1.00 68.98 ? 691 BMA A O5 1 HETATM 2800 O O6 . BMA L 5 . ? 22.674 5.500 -7.177 1.00 64.08 ? 691 BMA A O6 1 HETATM 2801 C C1 . BMA M 5 . ? 23.747 10.797 -7.231 1.00 66.61 ? 692 BMA A C1 1 HETATM 2802 C C2 . BMA M 5 . ? 22.305 10.924 -7.677 1.00 67.07 ? 692 BMA A C2 1 HETATM 2803 C C3 . BMA M 5 . ? 21.980 12.404 -7.901 1.00 67.56 ? 692 BMA A C3 1 HETATM 2804 C C4 . BMA M 5 . ? 22.290 13.190 -6.602 1.00 67.56 ? 692 BMA A C4 1 HETATM 2805 C C5 . BMA M 5 . ? 23.706 12.895 -6.107 1.00 67.65 ? 692 BMA A C5 1 HETATM 2806 C C6 . BMA M 5 . ? 23.905 13.505 -4.732 1.00 68.24 ? 692 BMA A C6 1 HETATM 2807 O O2 . BMA M 5 . ? 21.464 10.402 -6.655 1.00 65.73 ? 692 BMA A O2 1 HETATM 2808 O O3 . BMA M 5 . ? 20.601 12.497 -8.220 1.00 68.61 ? 692 BMA A O3 1 HETATM 2809 O O4 . BMA M 5 . ? 22.144 14.621 -6.784 1.00 64.98 ? 692 BMA A O4 1 HETATM 2810 O O5 . BMA M 5 . ? 23.912 11.467 -5.976 1.00 67.32 ? 692 BMA A O5 1 HETATM 2811 O O6 . BMA M 5 . ? 22.666 13.834 -4.138 1.00 69.04 ? 692 BMA A O6 1 HETATM 2812 C C1 . MAN N 4 . ? 21.017 15.082 -6.013 1.00 63.10 ? 693 MAN A C1 1 HETATM 2813 C C2 . MAN N 4 . ? 19.693 14.666 -6.692 1.00 61.43 ? 693 MAN A C2 1 HETATM 2814 C C3 . MAN N 4 . ? 18.655 15.787 -6.724 1.00 69.88 ? 693 MAN A C3 1 HETATM 2815 C C4 . MAN N 4 . ? 19.224 17.069 -7.377 1.00 69.44 ? 693 MAN A C4 1 HETATM 2816 C C5 . MAN N 4 . ? 20.714 17.292 -7.050 1.00 61.83 ? 693 MAN A C5 1 HETATM 2817 C C6 . MAN N 4 . ? 21.049 18.776 -6.829 1.00 62.37 ? 693 MAN A C6 1 HETATM 2818 O O2 . MAN N 4 . ? 19.146 13.522 -6.040 1.00 68.46 ? 693 MAN A O2 1 HETATM 2819 O O3 . MAN N 4 . ? 18.192 16.058 -5.413 1.00 60.94 ? 693 MAN A O3 1 HETATM 2820 O O4 . MAN N 4 . ? 19.172 16.939 -8.801 1.00 66.70 ? 693 MAN A O4 1 HETATM 2821 O O5 . MAN N 4 . ? 21.155 16.526 -5.885 1.00 63.08 ? 693 MAN A O5 1 HETATM 2822 O O6 . MAN N 4 . ? 20.594 19.253 -5.566 1.00 63.79 ? 693 MAN A O6 1 HETATM 2823 C C1 . BMA O 5 . ? 18.035 17.338 -9.590 1.00 64.36 ? 694 BMA A C1 1 HETATM 2824 C C2 . BMA O 5 . ? 18.133 18.867 -9.961 1.00 62.45 ? 694 BMA A C2 1 HETATM 2825 C C3 . BMA O 5 . ? 17.622 19.224 -11.368 1.00 60.98 ? 694 BMA A C3 1 HETATM 2826 C C4 . BMA O 5 . ? 18.103 18.197 -12.377 1.00 60.61 ? 694 BMA A C4 1 HETATM 2827 C C5 . BMA O 5 . ? 17.565 16.821 -11.979 1.00 61.58 ? 694 BMA A C5 1 HETATM 2828 C C6 . BMA O 5 . ? 18.034 15.713 -12.921 1.00 60.80 ? 694 BMA A C6 1 HETATM 2829 O O2 . BMA O 5 . ? 19.451 19.365 -9.779 1.00 61.12 ? 694 BMA A O2 1 HETATM 2830 O O3 . BMA O 5 . ? 18.065 20.526 -11.752 1.00 68.73 ? 694 BMA A O3 1 HETATM 2831 O O4 . BMA O 5 . ? 17.650 18.543 -13.683 1.00 60.29 ? 694 BMA A O4 1 HETATM 2832 O O5 . BMA O 5 . ? 18.074 16.410 -10.701 1.00 63.58 ? 694 BMA A O5 1 HETATM 2833 O O6 . BMA O 5 . ? 17.872 16.056 -14.284 1.00 61.52 ? 694 BMA A O6 1 HETATM 2834 FE FE . FE P 6 . ? 14.519 2.174 15.056 1.00 23.89 ? 695 FE A FE 1 HETATM 2835 C C . CO3 Q 7 . ? 13.064 0.031 15.344 1.00 28.78 ? 696 CO3 A C 1 HETATM 2836 O O1 . CO3 Q 7 . ? 14.314 0.003 15.578 1.00 27.92 ? 696 CO3 A O1 1 HETATM 2837 O O2 . CO3 Q 7 . ? 12.499 1.132 15.045 1.00 30.32 ? 696 CO3 A O2 1 HETATM 2838 O O3 . CO3 Q 7 . ? 12.411 -1.041 15.397 1.00 25.20 ? 696 CO3 A O3 1 HETATM 2839 ZN ZN . ZN R 8 . ? 14.769 22.797 24.495 1.00 30.98 ? 697 ZN A ZN 1 HETATM 2840 ZN ZN . ZN S 8 . ? 3.623 10.651 7.216 1.00 37.01 ? 698 ZN A ZN 1 HETATM 2841 S S . SO4 T 9 . ? -1.397 -6.323 -5.153 1.00 48.24 ? 699 SO4 A S 1 HETATM 2842 O O1 . SO4 T 9 . ? -0.506 -5.122 -5.422 1.00 53.30 ? 699 SO4 A O1 1 HETATM 2843 O O2 . SO4 T 9 . ? -2.784 -5.755 -5.360 1.00 48.68 ? 699 SO4 A O2 1 HETATM 2844 O O3 . SO4 T 9 . ? -0.913 -7.306 -6.194 1.00 50.09 ? 699 SO4 A O3 1 HETATM 2845 O O4 . SO4 T 9 . ? -1.302 -6.989 -3.761 1.00 43.43 ? 699 SO4 A O4 1 HETATM 2846 O O . HOH U 10 . ? 11.265 -10.919 14.263 1.00 14.20 ? 700 HOH A O 1 HETATM 2847 O O . HOH U 10 . ? 25.901 1.641 19.879 1.00 27.45 ? 701 HOH A O 1 HETATM 2848 O O . HOH U 10 . ? 27.847 9.011 29.925 1.00 21.94 ? 702 HOH A O 1 HETATM 2849 O O . HOH U 10 . ? 6.395 -0.186 11.549 1.00 25.80 ? 703 HOH A O 1 HETATM 2850 O O . HOH U 10 . ? 13.407 5.647 16.460 1.00 35.27 ? 704 HOH A O 1 HETATM 2851 O O . HOH U 10 . ? 23.971 -7.764 30.716 1.00 29.48 ? 705 HOH A O 1 HETATM 2852 O O . HOH U 10 . ? 16.966 3.240 12.089 1.00 28.54 ? 706 HOH A O 1 HETATM 2853 O O . HOH U 10 . ? 25.428 -0.540 21.326 1.00 17.07 ? 707 HOH A O 1 HETATM 2854 O O . HOH U 10 . ? 28.651 7.648 32.584 1.00 39.66 ? 708 HOH A O 1 HETATM 2855 O O . HOH U 10 . ? 19.661 -0.546 14.136 1.00 17.34 ? 709 HOH A O 1 HETATM 2856 O O . HOH U 10 . ? 22.823 -0.163 20.927 1.00 24.78 ? 710 HOH A O 1 HETATM 2857 O O . HOH U 10 . ? 13.113 5.496 5.697 1.00 29.37 ? 711 HOH A O 1 HETATM 2858 O O . HOH U 10 . ? 19.296 0.382 9.022 1.00 33.96 ? 712 HOH A O 1 HETATM 2859 O O . HOH U 10 . ? 3.598 -12.135 3.716 1.00 22.29 ? 713 HOH A O 1 HETATM 2860 O O . HOH U 10 . ? 18.306 5.818 12.635 1.00 33.12 ? 714 HOH A O 1 HETATM 2861 O O . HOH U 10 . ? 25.845 -8.438 19.133 1.00 33.53 ? 715 HOH A O 1 HETATM 2862 O O . HOH U 10 . ? 17.644 -1.870 7.819 1.00 41.86 ? 716 HOH A O 1 HETATM 2863 O O . HOH U 10 . ? 19.319 -4.951 11.970 1.00 34.26 ? 717 HOH A O 1 HETATM 2864 O O . HOH U 10 . ? 14.421 -4.855 23.827 1.00 21.57 ? 718 HOH A O 1 HETATM 2865 O O . HOH U 10 . ? 5.570 -12.613 -2.985 1.00 33.63 ? 719 HOH A O 1 HETATM 2866 O O . HOH U 10 . ? -3.500 -2.076 4.216 1.00 32.47 ? 720 HOH A O 1 HETATM 2867 O O . HOH U 10 . ? 18.837 -3.377 14.111 1.00 35.52 ? 721 HOH A O 1 HETATM 2868 O O . HOH U 10 . ? 3.277 0.670 5.764 1.00 35.53 ? 722 HOH A O 1 HETATM 2869 O O . HOH U 10 . ? 17.068 4.682 7.945 1.00 34.53 ? 723 HOH A O 1 HETATM 2870 O O . HOH U 10 . ? -0.401 4.451 5.821 1.00 34.09 ? 724 HOH A O 1 HETATM 2871 O O . HOH U 10 . ? 27.251 -0.193 11.206 1.00 30.95 ? 725 HOH A O 1 HETATM 2872 O O . HOH U 10 . ? 23.033 -6.842 19.273 1.00 26.85 ? 726 HOH A O 1 HETATM 2873 O O . HOH U 10 . ? 16.858 15.354 28.251 1.00 47.26 ? 727 HOH A O 1 HETATM 2874 O O . HOH U 10 . ? 1.083 6.840 4.978 1.00 39.43 ? 728 HOH A O 1 HETATM 2875 O O . HOH U 10 . ? 22.899 -1.141 18.143 1.00 23.36 ? 729 HOH A O 1 HETATM 2876 O O . HOH U 10 . ? 20.350 -1.342 21.142 1.00 27.18 ? 730 HOH A O 1 HETATM 2877 O O . HOH U 10 . ? 19.828 -13.073 10.961 1.00 23.68 ? 731 HOH A O 1 HETATM 2878 O O . HOH U 10 . ? 16.664 13.108 30.201 1.00 42.27 ? 732 HOH A O 1 HETATM 2879 O O . HOH U 10 . ? 22.878 -4.889 17.573 1.00 31.75 ? 733 HOH A O 1 HETATM 2880 O O . HOH U 10 . ? 7.389 12.988 17.621 1.00 37.30 ? 734 HOH A O 1 HETATM 2881 O O . HOH U 10 . ? 18.294 -4.818 23.385 1.00 55.29 ? 735 HOH A O 1 HETATM 2882 O O . HOH U 10 . ? 28.497 -6.391 31.507 1.00 32.13 ? 736 HOH A O 1 HETATM 2883 O O . HOH U 10 . ? 0.165 -10.411 19.654 1.00 21.41 ? 737 HOH A O 1 HETATM 2884 O O . HOH U 10 . ? 30.745 9.801 8.613 1.00 36.16 ? 738 HOH A O 1 HETATM 2885 O O . HOH U 10 . ? 36.119 13.227 30.290 1.00 49.05 ? 739 HOH A O 1 HETATM 2886 O O . HOH U 10 . ? 22.344 12.337 33.088 1.00 26.33 ? 740 HOH A O 1 HETATM 2887 O O . HOH U 10 . ? 16.543 -4.339 26.534 1.00 50.90 ? 741 HOH A O 1 HETATM 2888 O O . HOH U 10 . ? 22.451 -0.236 15.454 1.00 29.94 ? 742 HOH A O 1 HETATM 2889 O O . HOH U 10 . ? 21.129 2.040 15.185 1.00 37.87 ? 743 HOH A O 1 HETATM 2890 O O . HOH U 10 . ? 32.114 3.916 8.094 1.00 33.39 ? 744 HOH A O 1 HETATM 2891 O O . HOH U 10 . ? 21.534 -4.514 15.140 1.00 55.25 ? 745 HOH A O 1 HETATM 2892 O O . HOH U 10 . ? 15.320 12.550 13.776 1.00 65.96 ? 746 HOH A O 1 HETATM 2893 O O . HOH U 10 . ? 11.176 -19.737 14.042 1.00 31.43 ? 747 HOH A O 1 HETATM 2894 O O . HOH U 10 . ? 1.402 -12.922 19.196 1.00 32.44 ? 748 HOH A O 1 HETATM 2895 O O . HOH U 10 . ? 13.302 -0.067 27.184 1.00 42.88 ? 749 HOH A O 1 HETATM 2896 O O . HOH U 10 . ? 18.795 0.554 19.659 1.00 36.48 ? 750 HOH A O 1 HETATM 2897 O O . HOH U 10 . ? 20.643 5.948 9.670 1.00 34.92 ? 751 HOH A O 1 HETATM 2898 O O . HOH U 10 . ? 6.832 -0.108 24.608 1.00 57.33 ? 752 HOH A O 1 HETATM 2899 O O . HOH U 10 . ? 5.766 -11.486 27.075 1.00 43.94 ? 753 HOH A O 1 HETATM 2900 O O . HOH U 10 . ? 21.088 -9.403 4.574 1.00 43.49 ? 754 HOH A O 1 HETATM 2901 O O . HOH U 10 . ? 7.271 7.019 -1.831 1.00 46.83 ? 755 HOH A O 1 HETATM 2902 O O . HOH U 10 . ? 5.224 -1.863 25.374 1.00 37.55 ? 756 HOH A O 1 HETATM 2903 O O . HOH U 10 . ? 24.718 -10.234 30.299 1.00 35.93 ? 757 HOH A O 1 HETATM 2904 O O . HOH U 10 . ? 9.836 2.521 24.595 1.00 45.76 ? 758 HOH A O 1 HETATM 2905 O O . HOH U 10 . ? 32.081 13.898 33.251 1.00 37.13 ? 759 HOH A O 1 HETATM 2906 O O . HOH U 10 . ? 24.787 17.811 19.418 1.00 47.10 ? 760 HOH A O 1 HETATM 2907 O O . HOH U 10 . ? 33.829 -2.135 10.272 1.00 58.44 ? 761 HOH A O 1 HETATM 2908 O O . HOH U 10 . ? 37.882 -2.930 25.362 1.00 32.80 ? 762 HOH A O 1 HETATM 2909 O O . HOH U 10 . ? 7.065 -3.273 -4.335 1.00 63.81 ? 763 HOH A O 1 HETATM 2910 O O . HOH U 10 . ? -4.693 -2.632 -2.401 1.00 45.52 ? 764 HOH A O 1 HETATM 2911 O O . HOH U 10 . ? 14.026 14.056 16.004 1.00 46.10 ? 765 HOH A O 1 HETATM 2912 O O . HOH U 10 . ? 20.613 -11.896 13.998 1.00 54.16 ? 766 HOH A O 1 HETATM 2913 O O . HOH U 10 . ? 17.257 -15.324 -1.623 1.00 55.14 ? 767 HOH A O 1 HETATM 2914 O O . HOH U 10 . ? 21.603 0.324 7.357 1.00 47.84 ? 768 HOH A O 1 HETATM 2915 O O . HOH U 10 . ? 7.008 -19.500 22.988 1.00 31.47 ? 769 HOH A O 1 HETATM 2916 O O . HOH U 10 . ? 5.514 -14.577 4.541 1.00 30.50 ? 770 HOH A O 1 HETATM 2917 O O . HOH U 10 . ? 9.769 4.344 -0.826 1.00 45.23 ? 771 HOH A O 1 HETATM 2918 O O . HOH U 10 . ? 24.555 -17.523 24.904 1.00 57.78 ? 772 HOH A O 1 HETATM 2919 O O . HOH U 10 . ? 1.291 -16.745 25.230 1.00 65.43 ? 773 HOH A O 1 HETATM 2920 O O . HOH U 10 . ? 24.101 -3.801 33.666 1.00 35.17 ? 774 HOH A O 1 HETATM 2921 O O . HOH U 10 . ? -0.733 -15.764 -4.441 1.00 36.66 ? 775 HOH A O 1 HETATM 2922 O O . HOH U 10 . ? 20.687 -3.325 19.031 1.00 29.62 ? 776 HOH A O 1 HETATM 2923 O O . HOH U 10 . ? -0.114 4.519 21.613 1.00 42.18 ? 777 HOH A O 1 HETATM 2924 O O . HOH U 10 . ? 4.369 10.461 12.321 1.00 31.59 ? 778 HOH A O 1 HETATM 2925 O O . HOH U 10 . ? 23.592 20.397 -3.841 1.00 59.45 ? 779 HOH A O 1 HETATM 2926 O O . HOH U 10 . ? 19.834 -3.118 6.726 1.00 40.51 ? 780 HOH A O 1 HETATM 2927 O O . HOH U 10 . ? 23.085 -15.780 7.080 1.00 61.05 ? 781 HOH A O 1 HETATM 2928 O O . HOH U 10 . ? 12.892 -3.128 26.912 1.00 51.45 ? 782 HOH A O 1 HETATM 2929 O O . HOH U 10 . ? 39.115 10.879 19.991 1.00 62.48 ? 783 HOH A O 1 HETATM 2930 O O . HOH U 10 . ? 26.003 -14.537 -1.597 1.00 61.21 ? 784 HOH A O 1 HETATM 2931 O O . HOH U 10 . ? 23.117 -12.773 25.540 1.00 40.77 ? 785 HOH A O 1 HETATM 2932 O O . HOH U 10 . ? 22.353 -2.807 6.707 1.00 60.17 ? 786 HOH A O 1 HETATM 2933 O O . HOH U 10 . ? 25.460 18.449 32.379 1.00 64.08 ? 787 HOH A O 1 HETATM 2934 O O . HOH U 10 . ? 13.358 -20.484 11.455 1.00 47.37 ? 788 HOH A O 1 HETATM 2935 O O . HOH U 10 . ? 46.969 4.043 9.349 1.00 80.32 ? 789 HOH A O 1 HETATM 2936 O O . HOH U 10 . ? 29.045 -19.604 14.529 1.00 45.90 ? 790 HOH A O 1 HETATM 2937 O O . HOH U 10 . ? 16.543 -18.442 3.846 1.00 63.45 ? 791 HOH A O 1 HETATM 2938 O O . HOH U 10 . ? 32.459 4.545 32.822 1.00 43.34 ? 792 HOH A O 1 HETATM 2939 O O . HOH U 10 . ? 19.661 14.417 6.574 1.00 44.19 ? 793 HOH A O 1 HETATM 2940 O O . HOH U 10 . ? -4.314 -8.711 -3.272 1.00 41.31 ? 794 HOH A O 1 HETATM 2941 O O . HOH U 10 . ? 15.430 -23.170 21.434 1.00 56.26 ? 795 HOH A O 1 HETATM 2942 O O . HOH U 10 . ? 24.758 13.440 34.957 1.00 65.36 ? 796 HOH A O 1 HETATM 2943 O O . HOH U 10 . ? 6.449 11.390 32.272 1.00 52.43 ? 797 HOH A O 1 HETATM 2944 O O . HOH U 10 . ? 21.069 1.601 17.723 1.00 65.17 ? 798 HOH A O 1 HETATM 2945 O O . HOH U 10 . ? 3.959 -18.165 6.737 1.00 75.85 ? 799 HOH A O 1 HETATM 2946 O O . HOH U 10 . ? 20.152 -8.767 13.262 1.00 49.27 ? 800 HOH A O 1 HETATM 2947 O O . HOH U 10 . ? -3.546 -14.244 1.825 1.00 41.85 ? 801 HOH A O 1 HETATM 2948 O O . HOH U 10 . ? 30.782 4.240 5.888 1.00 59.27 ? 802 HOH A O 1 HETATM 2949 O O . HOH U 10 . ? 19.578 -9.120 -2.018 1.00 47.25 ? 803 HOH A O 1 HETATM 2950 O O . HOH U 10 . ? 32.766 -10.942 21.000 1.00 67.12 ? 804 HOH A O 1 HETATM 2951 O O . HOH U 10 . ? 9.917 0.169 1.364 1.00 55.77 ? 805 HOH A O 1 HETATM 2952 O O . HOH U 10 . ? 5.742 -19.868 10.798 1.00 51.56 ? 806 HOH A O 1 HETATM 2953 O O . HOH U 10 . ? 25.531 -20.782 21.002 1.00 56.08 ? 807 HOH A O 1 HETATM 2954 O O . HOH U 10 . ? 21.080 -6.637 13.659 1.00 44.90 ? 808 HOH A O 1 HETATM 2955 O O . HOH U 10 . ? 18.526 11.921 5.069 1.00 64.77 ? 809 HOH A O 1 HETATM 2956 O O . HOH U 10 . ? 7.294 16.795 26.291 1.00 76.64 ? 810 HOH A O 1 HETATM 2957 O O . HOH U 10 . ? 11.491 19.050 27.357 1.00 50.27 ? 811 HOH A O 1 HETATM 2958 O O . HOH U 10 . ? 32.078 -7.863 14.045 1.00 58.41 ? 812 HOH A O 1 HETATM 2959 O O . HOH U 10 . ? 32.056 20.034 13.604 1.00 51.50 ? 813 HOH A O 1 HETATM 2960 O O . HOH U 10 . ? 25.717 -6.159 32.273 1.00 38.37 ? 814 HOH A O 1 HETATM 2961 O O . HOH U 10 . ? 3.444 10.522 9.431 1.00 79.07 ? 815 HOH A O 1 HETATM 2962 O O . HOH U 10 . ? 28.349 17.501 29.510 1.00 29.48 ? 816 HOH A O 1 HETATM 2963 O O . HOH U 10 . ? 11.520 -11.700 -4.220 1.00 39.14 ? 817 HOH A O 1 HETATM 2964 O O . HOH U 10 . ? 11.616 16.101 17.000 1.00 46.36 ? 818 HOH A O 1 HETATM 2965 O O . HOH U 10 . ? 4.077 7.925 -2.735 1.00 67.81 ? 819 HOH A O 1 HETATM 2966 O O . HOH U 10 . ? 30.276 -4.549 32.404 1.00 60.42 ? 820 HOH A O 1 HETATM 2967 O O . HOH U 10 . ? 19.667 -0.998 17.070 1.00 52.73 ? 821 HOH A O 1 HETATM 2968 O O . HOH U 10 . ? -2.325 3.216 22.501 1.00 61.38 ? 822 HOH A O 1 HETATM 2969 O O . HOH U 10 . ? 20.703 17.112 23.571 1.00 55.01 ? 823 HOH A O 1 HETATM 2970 O O . HOH U 10 . ? 18.514 17.779 28.527 1.00 69.38 ? 824 HOH A O 1 HETATM 2971 O O . HOH U 10 . ? 12.082 -22.261 9.995 1.00 61.52 ? 825 HOH A O 1 HETATM 2972 O O . HOH U 10 . ? 32.196 -5.841 12.212 1.00 33.04 ? 826 HOH A O 1 HETATM 2973 O O . HOH U 10 . ? 19.520 20.251 26.384 1.00 63.20 ? 827 HOH A O 1 HETATM 2974 O O . HOH U 10 . ? 18.751 -7.423 33.307 1.00 48.11 ? 828 HOH A O 1 HETATM 2975 O O . HOH U 10 . ? 26.530 -6.164 -3.107 1.00 69.36 ? 829 HOH A O 1 HETATM 2976 O O . HOH U 10 . ? 18.100 6.721 9.142 1.00 39.36 ? 830 HOH A O 1 HETATM 2977 O O . HOH U 10 . ? 32.171 -5.567 30.019 1.00 55.33 ? 831 HOH A O 1 HETATM 2978 O O . HOH U 10 . ? -8.651 -3.242 3.986 1.00 56.21 ? 832 HOH A O 1 HETATM 2979 O O . HOH U 10 . ? 31.333 -3.090 34.581 1.00 32.85 ? 833 HOH A O 1 HETATM 2980 O O . HOH U 10 . ? 22.052 -14.852 27.245 1.00 59.06 ? 834 HOH A O 1 HETATM 2981 O O . HOH U 10 . ? 33.153 15.050 12.368 1.00 70.23 ? 835 HOH A O 1 HETATM 2982 O O . HOH U 10 . ? 22.053 -13.857 12.530 1.00 29.28 ? 836 HOH A O 1 HETATM 2983 O O . HOH U 10 . ? 8.494 -2.668 -7.142 1.00 64.31 ? 837 HOH A O 1 HETATM 2984 O O . HOH U 10 . ? 8.653 -20.781 7.264 1.00 54.78 ? 838 HOH A O 1 HETATM 2985 O O . HOH U 10 . ? 30.020 1.837 39.697 1.00 54.96 ? 839 HOH A O 1 HETATM 2986 O O . HOH U 10 . ? 13.716 5.065 39.238 1.00 55.64 ? 840 HOH A O 1 HETATM 2987 O O . HOH U 10 . ? 17.844 -10.130 -5.508 1.00 62.29 ? 841 HOH A O 1 HETATM 2988 O O . HOH U 10 . ? 3.529 4.045 20.619 1.00 44.08 ? 842 HOH A O 1 HETATM 2989 O O . HOH U 10 . ? 25.669 -8.043 -5.316 1.00 66.37 ? 843 HOH A O 1 HETATM 2990 O O . HOH U 10 . ? 15.736 -21.184 11.874 1.00 39.38 ? 844 HOH A O 1 HETATM 2991 O O . HOH U 10 . ? 25.333 -14.466 6.231 1.00 60.58 ? 845 HOH A O 1 HETATM 2992 O O . HOH U 10 . ? 37.214 -7.903 17.207 1.00 75.40 ? 846 HOH A O 1 HETATM 2993 O O . HOH U 10 . ? 23.613 -11.071 13.424 1.00 73.72 ? 847 HOH A O 1 HETATM 2994 O O . HOH U 10 . ? 12.647 10.522 6.016 1.00 69.15 ? 848 HOH A O 1 HETATM 2995 O O . HOH U 10 . ? 5.256 -13.581 -5.708 1.00 66.80 ? 849 HOH A O 1 HETATM 2996 O O . HOH U 10 . ? 10.231 -20.865 16.453 1.00 49.81 ? 850 HOH A O 1 HETATM 2997 O O . HOH U 10 . ? 7.931 -22.142 15.475 1.00 53.77 ? 851 HOH A O 1 HETATM 2998 O O . HOH U 10 . ? 18.665 -4.106 33.150 1.00 63.14 ? 852 HOH A O 1 HETATM 2999 O O . HOH U 10 . ? -8.229 -11.708 10.637 1.00 58.66 ? 853 HOH A O 1 HETATM 3000 O O . HOH U 10 . ? 15.481 -5.894 30.171 1.00 56.81 ? 854 HOH A O 1 HETATM 3001 O O . HOH U 10 . ? 19.661 -3.953 35.465 1.00 52.24 ? 855 HOH A O 1 HETATM 3002 O O . HOH U 10 . ? 38.010 13.792 8.179 1.00 64.50 ? 856 HOH A O 1 HETATM 3003 O O . HOH U 10 . ? 1.123 -17.102 2.940 1.00 73.73 ? 857 HOH A O 1 HETATM 3004 O O . HOH U 10 . ? 27.852 20.225 0.588 1.00 60.05 ? 858 HOH A O 1 HETATM 3005 O O . HOH U 10 . ? 42.008 -5.986 19.278 1.00 58.45 ? 859 HOH A O 1 HETATM 3006 O O . HOH U 10 . ? 31.144 19.507 23.152 1.00 57.44 ? 860 HOH A O 1 HETATM 3007 O O . HOH U 10 . ? 1.302 7.659 8.369 1.00 48.45 ? 861 HOH A O 1 HETATM 3008 O O . HOH U 10 . ? -11.965 -5.700 9.601 1.00 63.19 ? 862 HOH A O 1 HETATM 3009 O O . HOH U 10 . ? 15.390 23.444 22.509 1.00 47.18 ? 863 HOH A O 1 HETATM 3010 O O . HOH U 10 . ? 4.553 12.328 8.173 1.00 38.38 ? 864 HOH A O 1 HETATM 3011 O O . HOH U 10 . ? 1.635 10.123 8.107 1.00 40.67 ? 865 HOH A O 1 HETATM 3012 O O . HOH U 10 . ? 10.343 6.755 41.505 1.00 67.64 ? 866 HOH A O 1 HETATM 3013 O O . HOH U 10 . ? -0.671 -17.180 9.348 1.00 43.64 ? 867 HOH A O 1 HETATM 3014 O O . HOH U 10 . ? 20.464 -10.120 10.498 1.00 69.28 ? 868 HOH A O 1 HETATM 3015 O O . HOH U 10 . ? 35.452 16.112 28.954 1.00 48.41 ? 869 HOH A O 1 HETATM 3016 O O . HOH U 10 . ? 24.352 -17.806 -1.076 1.00 68.93 ? 870 HOH A O 1 HETATM 3017 O O . HOH U 10 . ? 28.885 23.382 24.368 1.00 92.56 ? 871 HOH A O 1 HETATM 3018 O O . HOH U 10 . ? 34.156 10.797 7.572 1.00 55.68 ? 872 HOH A O 1 HETATM 3019 O O . HOH U 10 . ? 14.157 16.523 29.620 1.00 73.81 ? 873 HOH A O 1 HETATM 3020 O O . HOH U 10 . ? 12.943 8.154 4.788 1.00 53.55 ? 874 HOH A O 1 HETATM 3021 O O . HOH U 10 . ? 10.714 -19.316 22.841 1.00 46.62 ? 875 HOH A O 1 HETATM 3022 O O . HOH U 10 . ? 23.727 7.516 3.837 1.00 52.29 ? 876 HOH A O 1 HETATM 3023 O O . HOH U 10 . ? 21.678 -0.507 0.167 1.00 56.43 ? 877 HOH A O 1 HETATM 3024 O O . HOH U 10 . ? 20.228 17.348 26.802 1.00 63.92 ? 878 HOH A O 1 HETATM 3025 O O . HOH U 10 . ? 12.194 4.133 32.291 1.00 42.34 ? 879 HOH A O 1 HETATM 3026 O O . HOH U 10 . ? 13.826 -7.622 27.680 1.00 48.14 ? 880 HOH A O 1 HETATM 3027 O O . HOH U 10 . ? -8.450 -7.625 4.144 1.00 59.30 ? 881 HOH A O 1 HETATM 3028 O O . HOH U 10 . ? 30.772 -7.881 10.309 1.00 52.87 ? 882 HOH A O 1 HETATM 3029 O O . HOH U 10 . ? 22.684 18.538 21.638 1.00 72.55 ? 883 HOH A O 1 HETATM 3030 O O . HOH U 10 . ? 22.202 -16.164 15.729 1.00 76.22 ? 884 HOH A O 1 HETATM 3031 O O . HOH U 10 . ? 20.586 17.191 13.122 1.00 68.84 ? 885 HOH A O 1 HETATM 3032 O O . HOH U 10 . ? 24.069 -13.413 14.456 1.00 45.80 ? 886 HOH A O 1 HETATM 3033 O O . HOH U 10 . ? -4.119 -5.251 -3.552 1.00 46.20 ? 887 HOH A O 1 HETATM 3034 O O . HOH U 10 . ? 3.243 -16.198 4.999 1.00 43.18 ? 888 HOH A O 1 HETATM 3035 O O . HOH U 10 . ? 29.555 -10.426 13.377 1.00 29.92 ? 889 HOH A O 1 HETATM 3036 O O . HOH U 10 . ? 36.219 -4.967 10.659 1.00 45.37 ? 890 HOH A O 1 HETATM 3037 O O . HOH U 10 . ? 31.565 22.043 12.097 1.00 43.33 ? 891 HOH A O 1 HETATM 3038 O O . HOH U 10 . ? 3.149 0.030 32.792 1.00 37.56 ? 892 HOH A O 1 HETATM 3039 O O . HOH U 10 . ? 17.582 -19.595 7.905 1.00 36.94 ? 893 HOH A O 1 HETATM 3040 O O . HOH U 10 . ? 11.436 -21.145 7.197 1.00 54.53 ? 894 HOH A O 1 HETATM 3041 O O . HOH U 10 . ? -2.802 -17.522 10.895 1.00 42.26 ? 895 HOH A O 1 HETATM 3042 O O . HOH U 10 . ? 29.431 18.525 2.439 1.00 51.38 ? 896 HOH A O 1 HETATM 3043 O O . HOH U 10 . ? 10.303 -21.542 19.167 1.00 54.81 ? 897 HOH A O 1 HETATM 3044 O O . HOH U 10 . ? 5.924 5.829 38.245 1.00 30.20 ? 898 HOH A O 1 HETATM 3045 O O . HOH U 10 . ? 27.465 3.934 6.058 1.00 41.21 ? 899 HOH A O 1 HETATM 3046 O O . HOH U 10 . ? 23.629 17.311 25.453 1.00 54.09 ? 900 HOH A O 1 HETATM 3047 O O . HOH U 10 . ? 3.895 -4.778 34.655 1.00 71.61 ? 901 HOH A O 1 HETATM 3048 O O . HOH U 10 . ? 8.563 14.380 35.595 1.00 45.58 ? 902 HOH A O 1 HETATM 3049 O O . HOH U 10 . ? -6.456 -6.774 -5.021 1.00 42.30 ? 903 HOH A O 1 HETATM 3050 O O . HOH U 10 . ? 21.502 -18.253 14.075 1.00 61.79 ? 904 HOH A O 1 HETATM 3051 O O . HOH U 10 . ? 39.758 10.774 33.230 1.00 59.52 ? 905 HOH A O 1 HETATM 3052 O O . HOH U 10 . ? 12.811 22.665 20.576 1.00 49.98 ? 906 HOH A O 1 HETATM 3053 O O . HOH U 10 . ? 10.450 22.457 24.039 1.00 59.58 ? 907 HOH A O 1 HETATM 3054 O O . HOH U 10 . ? 23.202 -18.062 9.262 1.00 59.30 ? 908 HOH A O 1 HETATM 3055 O O . HOH U 10 . ? 9.593 8.366 38.853 1.00 57.33 ? 909 HOH A O 1 HETATM 3056 O O . HOH U 10 . ? 29.160 23.148 17.816 1.00 58.28 ? 910 HOH A O 1 HETATM 3057 O O . HOH U 10 . ? 34.348 1.150 33.172 1.00 38.32 ? 911 HOH A O 1 HETATM 3058 O O . HOH U 10 . ? 4.796 -20.854 22.361 1.00 39.10 ? 912 HOH A O 1 HETATM 3059 O O . HOH U 10 . ? 4.361 14.089 10.949 1.00 45.42 ? 913 HOH A O 1 HETATM 3060 O O . HOH U 10 . ? 23.599 -21.034 10.795 1.00 51.85 ? 914 HOH A O 1 HETATM 3061 O O . HOH U 10 . ? 33.800 -1.071 31.866 1.00 38.18 ? 915 HOH A O 1 HETATM 3062 O O . HOH U 10 . ? 18.423 -17.756 -2.661 1.00 53.89 ? 916 HOH A O 1 HETATM 3063 O O . HOH U 10 . ? -8.762 -0.305 -2.031 1.00 58.59 ? 917 HOH A O 1 HETATM 3064 O O . HOH U 10 . ? -6.538 -5.370 11.653 1.00 54.74 ? 918 HOH A O 1 HETATM 3065 O O . HOH U 10 . ? 39.705 13.239 21.259 1.00 47.10 ? 919 HOH A O 1 HETATM 3066 O O . HOH U 10 . ? 2.592 -1.275 27.410 1.00 56.53 ? 920 HOH A O 1 HETATM 3067 O O . HOH U 10 . ? 6.459 -1.452 33.706 1.00 52.65 ? 921 HOH A O 1 HETATM 3068 O O . HOH U 10 . ? 6.717 -3.533 31.071 1.00 57.80 ? 922 HOH A O 1 HETATM 3069 O O . HOH U 10 . ? -7.936 11.485 22.570 1.00 35.06 ? 923 HOH A O 1 HETATM 3070 O O . HOH U 10 . ? -7.649 3.827 17.144 1.00 60.89 ? 924 HOH A O 1 HETATM 3071 O O . HOH U 10 . ? -6.782 -2.887 13.462 1.00 46.80 ? 925 HOH A O 1 HETATM 3072 O O . HOH U 10 . ? -11.895 5.110 15.257 1.00 61.79 ? 926 HOH A O 1 HETATM 3073 O O . HOH U 10 . ? 48.321 19.960 15.496 1.00 52.92 ? 927 HOH A O 1 HETATM 3074 O O . HOH U 10 . ? 28.824 -14.359 15.120 1.00 53.97 ? 928 HOH A O 1 HETATM 3075 O O . HOH U 10 . ? 45.018 9.596 15.279 1.00 49.17 ? 929 HOH A O 1 HETATM 3076 O O . HOH U 10 . ? 6.707 24.397 18.927 1.00 53.28 ? 930 HOH A O 1 HETATM 3077 O O . HOH U 10 . ? 26.648 -16.290 18.759 1.00 57.49 ? 931 HOH A O 1 HETATM 3078 O O . HOH U 10 . ? 31.348 21.111 2.436 1.00 58.55 ? 932 HOH A O 1 HETATM 3079 O O . HOH U 10 . ? 23.110 15.201 -1.652 1.00 73.91 ? 933 HOH A O 1 HETATM 3080 O O . HOH U 10 . ? -7.144 5.753 22.064 1.00 65.84 ? 934 HOH A O 1 HETATM 3081 O O . HOH U 10 . ? -11.414 4.069 18.191 1.00 60.66 ? 935 HOH A O 1 HETATM 3082 O O . HOH U 10 . ? 29.799 -15.570 18.982 1.00 62.04 ? 936 HOH A O 1 HETATM 3083 O O . HOH U 10 . ? 35.721 17.560 15.400 1.00 49.05 ? 937 HOH A O 1 HETATM 3084 O O . HOH U 10 . ? 41.025 17.582 21.998 1.00 53.70 ? 938 HOH A O 1 HETATM 3085 O O . HOH U 10 . ? 39.499 -8.752 14.710 1.00 52.61 ? 939 HOH A O 1 HETATM 3086 O O . HOH U 10 . ? 4.312 22.722 17.466 1.00 44.31 ? 940 HOH A O 1 HETATM 3087 O O . HOH U 10 . ? 32.348 -11.182 12.151 1.00 44.12 ? 941 HOH A O 1 HETATM 3088 O O . HOH U 10 . ? 31.316 -12.801 17.047 1.00 53.26 ? 942 HOH A O 1 HETATM 3089 O O . HOH U 10 . ? -11.162 0.352 12.550 1.00 45.63 ? 943 HOH A O 1 HETATM 3090 O O . HOH U 10 . ? 33.713 17.261 13.392 1.00 49.00 ? 944 HOH A O 1 HETATM 3091 O O . HOH U 10 . ? 38.447 -11.171 16.837 1.00 55.92 ? 945 HOH A O 1 HETATM 3092 O O . HOH U 10 . ? -11.489 -0.242 9.895 1.00 55.70 ? 946 HOH A O 1 HETATM 3093 O O . HOH U 10 . ? 14.680 9.293 38.108 1.00 39.07 ? 947 HOH A O 1 HETATM 3094 O O . HOH U 10 . ? 40.438 20.138 22.607 1.00 56.17 ? 948 HOH A O 1 HETATM 3095 O O . HOH U 10 . ? 11.802 10.776 37.574 1.00 64.95 ? 949 HOH A O 1 HETATM 3096 O O . HOH U 10 . ? -2.164 -9.791 -5.973 1.00 53.47 ? 950 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 LBT 1 11 11 LBT LAT A . C 3 NAG 1 1 1 NAG NAG A . D 3 NAG 2 2 2 NAG NAG A . E 4 MAN 3 3 3 MAN MAN A . F 5 BMA 4 4 4 BMA MAN A . G 4 MAN 5 5 5 MAN MAN A . H 3 NAG 1 687 1 NAG NAG A . I 3 NAG 2 688 2 NAG NAG A . J 3 NAG 1 689 1 NAG NAG A . K 3 NAG 2 690 2 NAG NAG A . L 5 BMA 3 691 3 BMA MAN A . M 5 BMA 4 692 4 BMA MAN A . N 4 MAN 5 693 5 MAN MAN A . O 5 BMA 6 694 6 BMA MAN A . P 6 FE 1 695 1 FE FE A . Q 7 CO3 1 696 2 CO3 CO3 A . R 8 ZN 1 697 3 ZN ZN A . S 8 ZN 1 698 4 ZN ZN A . T 9 SO4 1 699 5 SO4 SO4 A . U 10 HOH 1 700 1 HOH HOH A . U 10 HOH 2 701 2 HOH HOH A . U 10 HOH 3 702 3 HOH HOH A . U 10 HOH 4 703 4 HOH HOH A . U 10 HOH 5 704 5 HOH HOH A . U 10 HOH 6 705 6 HOH HOH A . U 10 HOH 7 706 7 HOH HOH A . U 10 HOH 8 707 8 HOH HOH A . U 10 HOH 9 708 9 HOH HOH A . U 10 HOH 10 709 10 HOH HOH A . U 10 HOH 11 710 11 HOH HOH A . U 10 HOH 12 711 12 HOH HOH A . U 10 HOH 13 712 13 HOH HOH A . U 10 HOH 14 713 14 HOH HOH A . U 10 HOH 15 714 15 HOH HOH A . U 10 HOH 16 715 16 HOH HOH A . U 10 HOH 17 716 17 HOH HOH A . U 10 HOH 18 717 18 HOH HOH A . U 10 HOH 19 718 19 HOH HOH A . U 10 HOH 20 719 20 HOH HOH A . U 10 HOH 21 720 21 HOH HOH A . U 10 HOH 22 721 22 HOH HOH A . U 10 HOH 23 722 23 HOH HOH A . U 10 HOH 24 723 24 HOH HOH A . U 10 HOH 25 724 25 HOH HOH A . U 10 HOH 26 725 26 HOH HOH A . U 10 HOH 27 726 27 HOH HOH A . U 10 HOH 28 727 28 HOH HOH A . U 10 HOH 29 728 29 HOH HOH A . U 10 HOH 30 729 30 HOH HOH A . U 10 HOH 31 730 31 HOH HOH A . U 10 HOH 32 731 32 HOH HOH A . U 10 HOH 33 732 33 HOH HOH A . U 10 HOH 34 733 34 HOH HOH A . U 10 HOH 35 734 35 HOH HOH A . U 10 HOH 36 735 36 HOH HOH A . U 10 HOH 37 736 37 HOH HOH A . U 10 HOH 38 737 38 HOH HOH A . U 10 HOH 39 738 39 HOH HOH A . U 10 HOH 40 739 40 HOH HOH A . U 10 HOH 41 740 41 HOH HOH A . U 10 HOH 42 741 42 HOH HOH A . U 10 HOH 43 742 43 HOH HOH A . U 10 HOH 44 743 44 HOH HOH A . U 10 HOH 45 744 45 HOH HOH A . U 10 HOH 46 745 46 HOH HOH A . U 10 HOH 47 746 47 HOH HOH A . U 10 HOH 48 747 48 HOH HOH A . U 10 HOH 49 748 49 HOH HOH A . U 10 HOH 50 749 50 HOH HOH A . U 10 HOH 51 750 51 HOH HOH A . U 10 HOH 52 751 52 HOH HOH A . U 10 HOH 53 752 53 HOH HOH A . U 10 HOH 54 753 54 HOH HOH A . U 10 HOH 55 754 55 HOH HOH A . U 10 HOH 56 755 56 HOH HOH A . U 10 HOH 57 756 57 HOH HOH A . U 10 HOH 58 757 58 HOH HOH A . U 10 HOH 59 758 59 HOH HOH A . U 10 HOH 60 759 60 HOH HOH A . U 10 HOH 61 760 61 HOH HOH A . U 10 HOH 62 761 62 HOH HOH A . U 10 HOH 63 762 63 HOH HOH A . U 10 HOH 64 763 64 HOH HOH A . U 10 HOH 65 764 65 HOH HOH A . U 10 HOH 66 765 66 HOH HOH A . U 10 HOH 67 766 67 HOH HOH A . U 10 HOH 68 767 68 HOH HOH A . U 10 HOH 69 768 69 HOH HOH A . U 10 HOH 70 769 70 HOH HOH A . U 10 HOH 71 770 71 HOH HOH A . U 10 HOH 72 771 72 HOH HOH A . U 10 HOH 73 772 73 HOH HOH A . U 10 HOH 74 773 74 HOH HOH A . U 10 HOH 75 774 75 HOH HOH A . U 10 HOH 76 775 76 HOH HOH A . U 10 HOH 77 776 77 HOH HOH A . U 10 HOH 78 777 78 HOH HOH A . U 10 HOH 79 778 79 HOH HOH A . U 10 HOH 80 779 80 HOH HOH A . U 10 HOH 81 780 81 HOH HOH A . U 10 HOH 82 781 82 HOH HOH A . U 10 HOH 83 782 83 HOH HOH A . U 10 HOH 84 783 84 HOH HOH A . U 10 HOH 85 784 85 HOH HOH A . U 10 HOH 86 785 86 HOH HOH A . U 10 HOH 87 786 87 HOH HOH A . U 10 HOH 88 787 88 HOH HOH A . U 10 HOH 89 788 89 HOH HOH A . U 10 HOH 90 789 90 HOH HOH A . U 10 HOH 91 790 91 HOH HOH A . U 10 HOH 92 791 92 HOH HOH A . U 10 HOH 93 792 93 HOH HOH A . U 10 HOH 94 793 94 HOH HOH A . U 10 HOH 95 794 95 HOH HOH A . U 10 HOH 96 795 96 HOH HOH A . U 10 HOH 97 796 97 HOH HOH A . U 10 HOH 98 797 98 HOH HOH A . U 10 HOH 99 798 99 HOH HOH A . U 10 HOH 100 799 100 HOH HOH A . U 10 HOH 101 800 101 HOH HOH A . U 10 HOH 102 801 102 HOH HOH A . U 10 HOH 103 802 103 HOH HOH A . U 10 HOH 104 803 104 HOH HOH A . U 10 HOH 105 804 105 HOH HOH A . U 10 HOH 106 805 106 HOH HOH A . U 10 HOH 107 806 107 HOH HOH A . U 10 HOH 108 807 108 HOH HOH A . U 10 HOH 109 808 109 HOH HOH A . U 10 HOH 110 809 110 HOH HOH A . U 10 HOH 111 810 111 HOH HOH A . U 10 HOH 112 811 112 HOH HOH A . U 10 HOH 113 812 114 HOH HOH A . U 10 HOH 114 813 115 HOH HOH A . U 10 HOH 115 814 116 HOH HOH A . U 10 HOH 116 815 117 HOH HOH A . U 10 HOH 117 816 118 HOH HOH A . U 10 HOH 118 817 119 HOH HOH A . U 10 HOH 119 818 120 HOH HOH A . U 10 HOH 120 819 121 HOH HOH A . U 10 HOH 121 820 122 HOH HOH A . U 10 HOH 122 821 123 HOH HOH A . U 10 HOH 123 822 124 HOH HOH A . U 10 HOH 124 823 125 HOH HOH A . U 10 HOH 125 824 127 HOH HOH A . U 10 HOH 126 825 128 HOH HOH A . U 10 HOH 127 826 129 HOH HOH A . U 10 HOH 128 827 130 HOH HOH A . U 10 HOH 129 828 131 HOH HOH A . U 10 HOH 130 829 133 HOH HOH A . U 10 HOH 131 830 134 HOH HOH A . U 10 HOH 132 831 135 HOH HOH A . U 10 HOH 133 832 136 HOH HOH A . U 10 HOH 134 833 137 HOH HOH A . U 10 HOH 135 834 138 HOH HOH A . U 10 HOH 136 835 139 HOH HOH A . U 10 HOH 137 836 140 HOH HOH A . U 10 HOH 138 837 141 HOH HOH A . U 10 HOH 139 838 142 HOH HOH A . U 10 HOH 140 839 143 HOH HOH A . U 10 HOH 141 840 144 HOH HOH A . U 10 HOH 142 841 145 HOH HOH A . U 10 HOH 143 842 146 HOH HOH A . U 10 HOH 144 843 147 HOH HOH A . U 10 HOH 145 844 148 HOH HOH A . U 10 HOH 146 845 149 HOH HOH A . U 10 HOH 147 846 150 HOH HOH A . U 10 HOH 148 847 151 HOH HOH A . U 10 HOH 149 848 152 HOH HOH A . U 10 HOH 150 849 153 HOH HOH A . U 10 HOH 151 850 154 HOH HOH A . U 10 HOH 152 851 155 HOH HOH A . U 10 HOH 153 852 156 HOH HOH A . U 10 HOH 154 853 157 HOH HOH A . U 10 HOH 155 854 158 HOH HOH A . U 10 HOH 156 855 159 HOH HOH A . U 10 HOH 157 856 160 HOH HOH A . U 10 HOH 158 857 161 HOH HOH A . U 10 HOH 159 858 162 HOH HOH A . U 10 HOH 160 859 163 HOH HOH A . U 10 HOH 161 860 164 HOH HOH A . U 10 HOH 162 861 166 HOH HOH A . U 10 HOH 163 862 167 HOH HOH A . U 10 HOH 164 863 168 HOH HOH A . U 10 HOH 165 864 169 HOH HOH A . U 10 HOH 166 865 170 HOH HOH A . U 10 HOH 167 866 171 HOH HOH A . U 10 HOH 168 867 172 HOH HOH A . U 10 HOH 169 868 173 HOH HOH A . U 10 HOH 170 869 174 HOH HOH A . U 10 HOH 171 870 175 HOH HOH A . U 10 HOH 172 871 176 HOH HOH A . U 10 HOH 173 872 178 HOH HOH A . U 10 HOH 174 873 179 HOH HOH A . U 10 HOH 175 874 180 HOH HOH A . U 10 HOH 176 875 181 HOH HOH A . U 10 HOH 177 876 182 HOH HOH A . U 10 HOH 178 877 183 HOH HOH A . U 10 HOH 179 878 184 HOH HOH A . U 10 HOH 180 879 185 HOH HOH A . U 10 HOH 181 880 186 HOH HOH A . U 10 HOH 182 881 187 HOH HOH A . U 10 HOH 183 882 188 HOH HOH A . U 10 HOH 184 883 189 HOH HOH A . U 10 HOH 185 884 190 HOH HOH A . U 10 HOH 186 885 191 HOH HOH A . U 10 HOH 187 886 192 HOH HOH A . U 10 HOH 188 887 193 HOH HOH A . U 10 HOH 189 888 194 HOH HOH A . U 10 HOH 190 889 195 HOH HOH A . U 10 HOH 191 890 196 HOH HOH A . U 10 HOH 192 891 197 HOH HOH A . U 10 HOH 193 892 198 HOH HOH A . U 10 HOH 194 893 199 HOH HOH A . U 10 HOH 195 894 200 HOH HOH A . U 10 HOH 196 895 201 HOH HOH A . U 10 HOH 197 896 202 HOH HOH A . U 10 HOH 198 897 203 HOH HOH A . U 10 HOH 199 898 204 HOH HOH A . U 10 HOH 200 899 205 HOH HOH A . U 10 HOH 201 900 206 HOH HOH A . U 10 HOH 202 901 207 HOH HOH A . U 10 HOH 203 902 208 HOH HOH A . U 10 HOH 204 903 209 HOH HOH A . U 10 HOH 205 904 210 HOH HOH A . U 10 HOH 206 905 211 HOH HOH A . U 10 HOH 207 906 212 HOH HOH A . U 10 HOH 208 907 213 HOH HOH A . U 10 HOH 209 908 214 HOH HOH A . U 10 HOH 210 909 215 HOH HOH A . U 10 HOH 211 910 216 HOH HOH A . U 10 HOH 212 911 217 HOH HOH A . U 10 HOH 213 912 218 HOH HOH A . U 10 HOH 214 913 219 HOH HOH A . U 10 HOH 215 914 220 HOH HOH A . U 10 HOH 216 915 221 HOH HOH A . U 10 HOH 217 916 222 HOH HOH A . U 10 HOH 218 917 223 HOH HOH A . U 10 HOH 219 918 224 HOH HOH A . U 10 HOH 220 919 225 HOH HOH A . U 10 HOH 221 920 226 HOH HOH A . U 10 HOH 222 921 227 HOH HOH A . U 10 HOH 223 922 228 HOH HOH A . U 10 HOH 224 923 229 HOH HOH A . U 10 HOH 225 924 231 HOH HOH A . U 10 HOH 226 925 232 HOH HOH A . U 10 HOH 227 926 233 HOH HOH A . U 10 HOH 228 927 234 HOH HOH A . U 10 HOH 229 928 235 HOH HOH A . U 10 HOH 230 929 236 HOH HOH A . U 10 HOH 231 930 237 HOH HOH A . U 10 HOH 232 931 238 HOH HOH A . U 10 HOH 233 932 239 HOH HOH A . U 10 HOH 234 933 240 HOH HOH A . U 10 HOH 235 934 241 HOH HOH A . U 10 HOH 236 935 242 HOH HOH A . U 10 HOH 237 936 243 HOH HOH A . U 10 HOH 238 937 244 HOH HOH A . U 10 HOH 239 938 245 HOH HOH A . U 10 HOH 240 939 246 HOH HOH A . U 10 HOH 241 940 247 HOH HOH A . U 10 HOH 242 941 248 HOH HOH A . U 10 HOH 243 942 249 HOH HOH A . U 10 HOH 244 943 250 HOH HOH A . U 10 HOH 245 944 251 HOH HOH A . U 10 HOH 246 945 252 HOH HOH A . U 10 HOH 247 946 253 HOH HOH A . U 10 HOH 248 947 254 HOH HOH A . U 10 HOH 249 948 255 HOH HOH A . U 10 HOH 250 949 256 HOH HOH A . U 10 HOH 251 950 257 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 695 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 86.3 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 173.1 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 100.6 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 90.6 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 101.8 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 88.9 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O2 ? Q CO3 . ? A CO3 696 ? 1_555 84.0 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O2 ? Q CO3 . ? A CO3 696 ? 1_555 90.8 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O2 ? Q CO3 . ? A CO3 696 ? 1_555 95.0 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O2 ? Q CO3 . ? A CO3 696 ? 1_555 165.9 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O1 ? Q CO3 . ? A CO3 696 ? 1_555 88.5 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O1 ? Q CO3 . ? A CO3 696 ? 1_555 149.1 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O1 ? Q CO3 . ? A CO3 696 ? 1_555 85.2 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O1 ? Q CO3 . ? A CO3 696 ? 1_555 108.6 ? 15 O2 ? Q CO3 . ? A CO3 696 ? 1_555 FE ? P FE . ? A FE 695 ? 1_555 O1 ? Q CO3 . ? A CO3 696 ? 1_555 58.4 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 697 ? 1_555 O ? U HOH . ? A HOH 863 ? 1_555 89.1 ? 17 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 697 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 59.5 ? 18 O ? U HOH . ? A HOH 863 ? 1_555 ZN ? R ZN . ? A ZN 697 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 106.0 ? 19 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 815 ? 1_555 108.0 ? 20 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 864 ? 1_555 140.9 ? 21 O ? U HOH . ? A HOH 815 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 864 ? 1_555 68.6 ? 22 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 865 ? 1_555 96.5 ? 23 O ? U HOH . ? A HOH 815 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 865 ? 1_555 61.3 ? 24 O ? U HOH . ? A HOH 864 ? 1_555 ZN ? S ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 865 ? 1_555 113.1 ? # 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 2006-06-13 2 'Structure model' 1 1 2008-05-01 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 CNS refinement 1.1 ? 1 HKL-2000 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_entry_details.sequence_details ;THERE IS A CONFLICT BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.entry_id 2H4I _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O6 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 MAN _pdbx_validate_close_contact.auth_seq_id_1 3 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 C2 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 MAN _pdbx_validate_close_contact.auth_seq_id_2 5 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.13 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A CYS 481 ? ? CB A CYS 481 ? ? SG A CYS 481 ? ? 121.22 114.20 7.02 1.10 N 2 1 CA A CYS 532 ? ? CB A CYS 532 ? ? SG A CYS 532 ? ? 121.09 114.20 6.89 1.10 N 3 1 N A CYS 684 ? ? CA A CYS 684 ? ? CB A CYS 684 ? ? 122.13 110.80 11.33 1.50 N 4 1 CA A CYS 684 ? ? CB A CYS 684 ? ? SG A CYS 684 ? ? 101.65 114.00 -12.35 1.80 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 THR A 343 ? ? -57.05 11.37 2 1 HIS A 420 ? ? 70.56 52.47 3 1 SER A 450 ? ? -142.93 38.02 4 1 ALA A 460 ? ? 170.29 148.51 5 1 ASP A 462 ? ? 77.96 -2.10 6 1 THR A 464 ? ? -57.01 -72.64 7 1 TRP A 467 ? ? -139.71 -66.21 8 1 ALA A 482 ? ? -69.93 42.92 9 1 SER A 519 ? ? -58.20 -9.84 10 1 VAL A 543 ? ? -129.29 -156.46 11 1 CYS A 587 ? ? -145.80 52.03 12 1 ALA A 590 ? ? 176.02 162.65 13 1 CYS A 625 ? ? -45.65 -79.00 14 1 SER A 634 ? ? -175.24 42.11 15 1 GLU A 635 ? ? 40.59 74.82 16 1 THR A 636 ? ? 59.37 0.73 17 1 LEU A 640 ? ? 76.24 -44.10 18 1 ARG A 654 ? ? 22.51 65.50 19 1 ALA A 683 ? ? -110.35 -99.41 20 1 CYS A 684 ? ? 68.69 79.90 21 1 ALA A 685 ? ? -75.45 25.75 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 ALA _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 683 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 CYS _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 684 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -141.95 # _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 MAN _pdbx_validate_chiral.auth_seq_id 5 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details PLANAR _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 ALPHA-LACTOSE LBT 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-D-MANNOSE MAN 5 BETA-D-MANNOSE BMA 6 'FE (III) ION' FE 7 'CARBONATE ION' CO3 8 'ZINC ION' ZN 9 'SULFATE ION' SO4 10 water HOH #