data_3CRB # _entry.id 3CRB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3CRB RCSB RCSB047119 WWPDB D_1000047119 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DWA . unspecified PDB 2DXY . unspecified PDB 2O51 . unspecified PDB 2r9j . unspecified PDB 2px1 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3CRB _pdbx_database_status.recvd_initial_deposition_date 2008-04-05 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _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 'Vikram, G.' 1 'Mir, 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 C-lobe of lactoferrin with 2-chromenone at 2.6 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 'Vikram, G.' 1 primary 'Mir, 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 3CRB _cell.length_a 63.370 _cell.length_b 50.370 _cell.length_c 65.840 _cell.angle_alpha 90.00 _cell.angle_beta 107.81 _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 3CRB _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 3.4.21.- ? C-lobe ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 4 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 5 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 7 non-polymer syn COUMARIN 146.143 1 ? ? ? ? 8 water nat water 18.015 141 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Lactoferrin # _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 ? _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion MILK _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 3CRB _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 3CRB LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3CRB 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 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 COU non-polymer . COUMARIN 2H-1-BENZOPYRAN-2-ONE 'C9 H6 O2' 146.143 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 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3CRB _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 53.70 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '01M ZNSO4, 0.1M MES, 25% PEG, MONOETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 300 _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 2008-03-26 _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 1.5418 _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 1.5418 # _reflns.entry_id 3CRB _reflns.observed_criterion_sigma_F 0.0 _reflns.observed_criterion_sigma_I 0.0 _reflns.d_resolution_high 2.6 _reflns.d_resolution_low 20.0 _reflns.number_all 11309 _reflns.number_obs 10726 _reflns.percent_possible_obs 86.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.099 _reflns.pdbx_netI_over_sigmaI 5.7 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.6 _reflns_shell.d_res_low 2.69 _reflns_shell.percent_possible_all 92.7 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.196 _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3CRB _refine.ls_d_res_high 2.6 _refine.ls_d_res_low 20.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_ls_sigma_I 0.0 _refine.ls_number_reflns_all 11309 _refine.ls_number_reflns_obs 10726 _refine.ls_number_reflns_R_free 583 _refine.ls_percent_reflns_obs 86.8 _refine.ls_R_factor_all 0.2108 _refine.ls_R_factor_obs 0.1880 _refine.ls_R_factor_R_work 0.1830 _refine.ls_R_factor_R_free 0.2115 _refine.ls_redundancy_reflns_obs ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_method_to_determine_struct MOLREP _refine.pdbx_starting_model 2DYX _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_isotropic_thermal_model ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.details ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_overall_ESU_R ? _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 107 _refine_hist.number_atoms_solvent 141 _refine_hist.number_atoms_total 2852 _refine_hist.d_res_high 2.6 _refine_hist.d_res_low 20.0 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.01 ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 18.3 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 3CRB _struct.title 'Crystal structure of the complex of C-lobe of lactoferrin with 2-chromenone at 2.6 A resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3CRB _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'COMPLEX, COUMARIN, 2-CHROMENONE, C-LOBE, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 4 ? J N N 5 ? K N N 5 ? L N N 6 ? M N N 7 ? N N N 8 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? GLY A 25 ? GLY A 351 GLY A 366 1 ? 16 HELX_P HELX_P2 2 THR A 35 ? GLY A 46 ? THR A 376 GLY A 387 1 ? 12 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P7 7 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P8 8 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P9 9 PRO A 239 ? ALA A 243 ? PRO A 580 ALA A 584 5 ? 5 HELX_P HELX_P10 10 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P11 11 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P12 12 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.032 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.027 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.037 ? 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 ? ? ? ? ? ? ? 2.028 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.039 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.029 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.034 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.041 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.461 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 H FE . FE ? ? A ASP 395 A FE 691 1_555 ? ? ? ? ? ? ? 2.358 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 H FE . FE ? ? A TYR 433 A FE 691 1_555 ? ? ? ? ? ? ? 2.073 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.436 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 H FE . FE ? ? A TYR 526 A FE 691 1_555 ? ? ? ? ? ? ? 1.939 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.442 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 K ZN . ZN ? ? A HIS 588 A ZN 4 1_555 ? ? ? ? ? ? ? 2.123 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 H FE . FE ? ? A HIS 595 A FE 691 1_555 ? ? ? ? ? ? ? 2.202 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 J ZN . ZN ? ? A GLU 659 A ZN 3 1_555 ? ? ? ? ? ? ? 2.216 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 J ZN . ZN ? ? A GLU 659 A ZN 3 1_555 ? ? ? ? ? ? ? 2.019 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.436 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.449 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.454 ? metalc8 metalc ? ? H FE . FE ? ? ? 1_555 I CO3 . O2 ? ? A FE 691 A CO3 692 1_555 ? ? ? ? ? ? ? 2.208 ? metalc9 metalc ? ? H FE . FE ? ? ? 1_555 I CO3 . O1 ? ? A FE 691 A CO3 692 1_555 ? ? ? ? ? ? ? 2.243 ? metalc10 metalc ? ? K ZN . ZN ? ? ? 1_555 N HOH . O ? ? A ZN 4 A HOH 805 1_555 ? ? ? ? ? ? ? 2.134 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 687' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 688' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 689' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 690' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 691' AC8 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 692' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 3' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 4' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 5' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE COU A 693' # 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 5 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 5 LEU A 132 ? LEU A 473 . ? 1_555 ? 3 AC1 5 ASN A 135 ? ASN A 476 . ? 1_555 ? 4 AC1 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 5 AC1 5 HOH N . ? HOH A 741 . ? 1_555 ? 6 AC2 4 NAG B . ? NAG A 1 . ? 1_555 ? 7 AC2 4 GLU A 323 ? GLU A 664 . ? 1_555 ? 8 AC2 4 THR A 326 ? THR A 667 . ? 1_555 ? 9 AC2 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 10 AC3 5 SER A 24 ? SER A 365 . ? 1_555 ? 11 AC3 5 ASN A 27 ? ASN A 368 . ? 1_555 ? 12 AC3 5 GLN A 273 ? GLN A 614 . ? 1_555 ? 13 AC3 5 LEU A 276 ? LEU A 617 . ? 1_555 ? 14 AC3 5 NAG E . ? NAG A 688 . ? 1_555 ? 15 AC4 1 NAG D . ? NAG A 687 . ? 1_555 ? 16 AC5 6 LEU A 93 ? LEU A 434 . ? 1_555 ? 17 AC5 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 18 AC5 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 19 AC5 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 20 AC5 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 21 AC5 6 NAG G . ? NAG A 690 . ? 1_555 ? 22 AC6 2 TRP A 208 ? TRP A 549 . ? 1_555 ? 23 AC6 2 NAG F . ? NAG A 689 . ? 1_555 ? 24 AC7 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 25 AC7 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 26 AC7 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 27 AC7 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 28 AC7 5 CO3 I . ? CO3 A 692 . ? 1_555 ? 29 AC8 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 30 AC8 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 31 AC8 10 THR A 118 ? THR A 459 . ? 1_555 ? 32 AC8 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 33 AC8 10 THR A 123 ? THR A 464 . ? 1_555 ? 34 AC8 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 35 AC8 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 36 AC8 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 37 AC8 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 38 AC8 10 FE H . ? FE A 691 . ? 1_555 ? 39 AC9 2 GLY A 312 ? GLY A 653 . ? 1_555 ? 40 AC9 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 41 BC1 2 HIS A 247 ? HIS A 588 . ? 1_555 ? 42 BC1 2 HOH N . ? HOH A 805 . ? 1_555 ? 43 BC2 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 44 BC2 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 45 BC2 4 HOH N . ? HOH A 815 . ? 1_555 ? 46 BC2 4 HOH N . ? HOH A 832 . ? 1_555 ? 47 BC3 4 GLU A 318 ? GLU A 659 . ? 1_555 ? 48 BC3 4 TYR A 319 ? TYR A 660 . ? 1_555 ? 49 BC3 4 LEU A 320 ? LEU A 661 . ? 1_555 ? 50 BC3 4 GLY A 321 ? GLY A 662 . ? 1_555 ? # _database_PDB_matrix.entry_id 3CRB _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 3CRB _atom_sites.fract_transf_matrix[1][1] 0.015780 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005070 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019853 _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] 0.015953 _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 ? 40.352 9.381 30.690 1.00 62.24 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 40.038 10.834 30.762 1.00 62.20 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.372 11.291 29.453 1.00 60.28 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 38.146 11.372 29.417 1.00 60.99 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 41.317 11.616 31.091 1.00 64.99 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 41.844 11.304 32.494 1.00 67.47 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 43.026 10.577 32.684 1.00 68.15 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 41.145 11.723 33.632 1.00 68.77 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 43.496 10.278 33.977 1.00 69.51 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 41.607 11.427 34.924 1.00 69.85 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 42.777 10.707 35.080 1.00 70.12 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 43.214 10.391 36.324 1.00 71.47 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.136 11.602 28.399 1.00 57.24 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.512 11.974 27.119 1.00 53.78 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.260 10.641 26.397 1.00 50.98 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.219 10.558 25.164 1.00 50.04 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.406 12.929 26.256 1.00 54.77 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.616 13.489 25.192 1.00 55.20 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.591 12.176 25.648 1.00 55.10 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.102 9.605 27.222 1.00 47.83 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.855 8.234 26.797 1.00 45.13 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.368 7.926 27.002 1.00 42.61 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.808 8.219 28.060 1.00 43.46 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.740 7.288 27.630 1.00 46.34 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.450 5.789 27.482 1.00 49.60 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.620 4.918 27.987 1.00 52.26 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.570 4.631 29.419 1.00 55.88 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.677 3.827 30.000 1.00 57.51 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.745 3.220 29.273 1.00 57.73 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.715 3.629 31.316 1.00 56.68 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.727 7.351 25.989 1.00 38.33 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.309 7.015 26.079 1.00 34.13 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 35.080 5.508 26.105 1.00 30.91 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.735 4.753 25.386 1.00 30.20 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.504 7.636 24.893 1.00 34.55 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.132 6.982 24.765 1.00 35.06 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.330 9.126 25.121 1.00 33.94 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.151 5.085 26.959 1.00 27.92 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.780 3.679 27.093 1.00 25.51 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.412 3.530 26.421 1.00 24.87 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.410 4.091 26.878 1.00 24.98 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.663 3.262 28.575 1.00 24.27 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.277 1.793 28.684 1.00 21.17 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.980 3.529 29.288 1.00 25.39 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.388 2.786 25.322 1.00 22.30 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.172 2.545 24.556 1.00 20.06 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.470 1.301 25.084 1.00 19.51 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.129 0.352 25.511 1.00 20.07 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.531 2.308 23.092 1.00 19.87 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.418 2.618 22.180 1.00 18.78 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.531 1.749 21.620 1.00 17.82 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.028 3.922 21.765 1.00 18.99 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.603 2.441 20.877 1.00 20.26 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.888 3.780 20.951 1.00 18.93 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.536 5.207 22.005 1.00 19.35 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.242 4.879 20.372 1.00 20.22 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.899 6.298 21.432 1.00 17.49 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.763 6.128 20.624 1.00 19.45 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.143 1.283 25.069 1.00 18.65 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.467 0.085 25.537 1.00 17.77 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.963 -0.703 24.344 1.00 18.96 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.170 -0.197 23.554 1.00 19.37 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.288 0.408 26.444 1.00 18.65 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.822 -1.015 27.494 1.00 18.19 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.435 -1.937 24.204 1.00 18.42 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.005 -2.795 23.105 1.00 17.92 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.950 -3.768 23.622 1.00 17.46 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.027 -4.248 24.758 1.00 15.84 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.190 -3.571 22.532 1.00 17.21 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.962 -4.052 22.781 1.00 17.84 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.888 -4.968 23.139 1.00 19.26 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.106 -6.330 22.478 1.00 20.99 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.899 -6.479 21.274 1.00 21.14 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.512 -4.388 22.705 1.00 19.43 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.375 -5.360 23.060 1.00 16.32 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.295 -3.033 23.379 1.00 18.30 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.537 -7.316 23.265 1.00 21.08 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.759 -8.644 22.725 1.00 22.99 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.147 -8.868 22.151 1.00 25.19 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.872 -7.905 21.906 1.00 24.69 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.523 -10.137 21.882 1.00 25.70 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.809 -10.620 21.339 1.00 25.46 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.323 -10.066 20.012 1.00 24.70 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.533 -9.923 19.842 1.00 23.26 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.617 -12.139 21.222 1.00 25.65 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.355 -12.441 21.972 1.00 26.83 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.515 -11.208 21.822 1.00 26.73 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.428 -9.787 19.067 1.00 24.62 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.868 -9.289 17.769 1.00 25.40 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.244 -7.821 17.795 1.00 24.67 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.161 -7.413 17.080 1.00 24.60 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.804 -9.538 16.686 1.00 27.66 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.554 -11.006 16.342 1.00 31.06 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.581 -11.202 15.185 1.00 34.36 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.439 -10.705 15.270 1.00 34.35 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.959 -11.853 14.184 1.00 39.13 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.548 -7.027 18.608 1.00 23.19 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.874 -5.608 18.691 1.00 22.08 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.134 -5.485 19.533 1.00 22.19 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.938 -4.570 19.344 1.00 20.41 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.725 -4.800 19.310 1.00 21.27 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.488 -4.676 18.422 1.00 21.25 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.549 -3.570 18.893 1.00 22.15 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.758 -3.056 20.011 1.00 23.05 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.599 -3.214 18.162 1.00 22.63 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.309 -6.423 20.460 1.00 23.11 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.494 -6.418 21.305 1.00 24.66 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.702 -6.592 20.381 1.00 24.31 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.679 -5.864 20.487 1.00 24.47 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.461 -7.557 22.331 1.00 25.31 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.669 -7.550 23.269 1.00 30.05 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.667 -8.694 24.279 1.00 33.71 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.297 -9.825 23.958 1.00 35.57 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.109 -8.407 25.501 1.00 36.59 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.630 -7.546 19.460 1.00 25.14 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.735 -7.778 18.542 1.00 25.71 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.980 -6.538 17.666 1.00 23.15 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.125 -6.157 17.454 1.00 23.86 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.455 -9.054 17.723 1.00 28.42 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 33.850 -9.026 16.263 1.00 35.55 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 35.239 -9.595 15.983 1.00 40.63 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.301 -11.109 16.200 1.00 43.16 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.087 -11.823 15.703 1.00 44.59 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.931 -5.882 17.180 1.00 21.47 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.150 -4.686 16.372 1.00 20.71 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.712 -3.543 17.232 1.00 21.40 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.537 -2.752 16.769 1.00 22.57 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.860 -4.220 15.704 1.00 18.49 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.053 -2.937 14.903 1.00 17.41 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.831 -2.551 14.095 1.00 14.49 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 31.024 -1.170 13.523 1.00 15.23 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.927 -0.785 12.593 1.00 17.25 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.279 -3.463 18.485 1.00 21.34 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.754 -2.411 19.373 1.00 23.60 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.239 -2.590 19.697 1.00 24.49 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.992 -1.618 19.734 1.00 24.74 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.925 -2.388 20.671 1.00 23.67 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.395 -1.013 21.770 1.00 21.17 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.651 -3.835 19.926 1.00 26.81 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.044 -4.147 20.237 1.00 28.95 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.969 -3.727 19.100 1.00 29.66 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.072 -3.225 19.338 1.00 29.03 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.194 -5.640 20.505 1.00 30.02 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 37.152 -5.973 21.977 1.00 36.12 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.838 -7.427 22.240 1.00 40.61 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.785 -8.245 21.316 1.00 42.58 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.628 -7.760 23.509 1.00 42.73 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.507 -3.952 17.870 1.00 31.11 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.240 -3.589 16.663 1.00 33.90 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.389 -2.056 16.633 1.00 33.45 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.473 -1.522 16.362 1.00 32.21 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.471 -4.102 15.420 1.00 36.55 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.907 -5.505 14.945 1.00 41.66 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.027 -6.161 13.866 1.00 46.46 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 36.791 -5.594 12.792 1.00 49.09 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.544 -7.374 14.159 1.00 48.34 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.287 -1.369 16.941 1.00 32.91 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.230 0.089 16.987 1.00 30.64 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.193 0.563 18.076 1.00 30.96 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 39.015 1.446 17.845 1.00 31.58 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.797 0.544 17.311 1.00 28.12 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.591 2.045 17.378 1.00 27.44 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.443 3.016 16.924 1.00 28.45 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.443 2.738 17.898 1.00 27.98 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.900 4.264 17.128 1.00 28.12 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.673 4.124 17.721 1.00 28.11 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.241 2.322 18.495 1.00 27.68 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.744 5.104 18.118 1.00 28.85 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.312 3.300 18.893 1.00 29.70 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.575 4.676 18.699 1.00 29.21 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.082 -0.035 19.259 1.00 30.72 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.935 0.300 20.396 1.00 32.58 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.406 0.226 19.957 1.00 33.91 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.186 1.155 20.181 1.00 33.58 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.663 -0.685 21.542 1.00 31.28 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.337 -0.313 22.725 1.00 31.15 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.764 -0.883 19.318 1.00 35.76 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.116 -1.112 18.822 1.00 37.85 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.594 0.006 17.875 1.00 37.48 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.628 0.629 18.128 1.00 37.43 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.158 -2.467 18.113 1.00 40.78 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.519 -2.919 17.621 1.00 46.08 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.514 -4.392 17.231 1.00 50.72 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.636 -5.152 17.655 1.00 52.14 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.505 -4.808 16.439 1.00 51.97 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.852 0.267 16.797 1.00 36.32 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.251 1.308 15.847 1.00 36.14 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.274 2.715 16.463 1.00 36.86 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 43.006 3.588 15.993 1.00 36.39 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.327 1.319 14.617 1.00 36.19 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.329 0.039 13.773 1.00 37.40 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.727 -0.438 13.388 1.00 38.04 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.424 0.195 12.599 1.00 38.59 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.137 -1.565 13.955 1.00 39.47 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.483 2.932 17.513 1.00 36.40 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.413 4.242 18.158 1.00 36.52 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.573 4.509 19.117 1.00 37.25 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.729 5.629 19.609 1.00 35.78 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.088 4.388 18.913 1.00 36.37 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.041 3.532 20.047 1.00 37.63 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.381 3.484 19.376 1.00 38.19 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.507 3.635 20.282 1.00 38.81 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.018 3.780 21.710 1.00 40.33 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.594 4.517 22.516 1.00 39.71 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.943 3.059 22.020 1.00 40.96 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.331 3.086 23.339 1.00 41.11 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.676 4.439 23.643 1.00 40.11 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.407 4.748 24.802 1.00 39.98 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.361 2.708 24.424 1.00 42.43 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.273 1.271 24.957 1.00 46.19 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.546 0.207 23.901 1.00 48.73 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.619 0.167 23.309 1.00 50.29 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.581 -0.673 23.664 1.00 51.74 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.421 5.247 22.609 1.00 39.45 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.742 6.525 22.837 1.00 39.80 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.283 6.122 23.142 1.00 37.63 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.542 6.854 23.799 1.00 37.24 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.887 7.484 21.628 1.00 43.03 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.184 8.370 21.709 1.00 47.53 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 43.043 8.156 22.557 1.00 48.28 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.275 9.346 20.797 1.00 51.05 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.868 4.952 22.650 1.00 34.81 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.537 4.411 22.958 1.00 31.04 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.768 2.975 23.428 1.00 29.26 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.623 2.264 22.886 1.00 29.03 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.553 4.349 21.740 1.00 32.18 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.417 3.348 22.043 1.00 30.00 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.941 5.730 21.475 1.00 30.74 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.056 2.574 24.478 1.00 27.32 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.121 1.198 24.968 1.00 25.44 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.693 0.681 25.069 1.00 24.84 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.725 1.425 24.863 1.00 22.71 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.848 1.011 26.333 1.00 24.53 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.396 1.986 27.273 1.00 25.11 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.348 1.095 26.144 1.00 23.74 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.570 -0.592 25.423 1.00 23.73 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.274 -1.258 25.447 1.00 23.27 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.756 -1.923 26.695 1.00 24.01 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.499 -2.583 27.412 1.00 25.31 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.265 -2.327 24.350 1.00 21.48 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.984 -1.746 22.793 1.00 21.35 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.457 -1.764 26.917 1.00 23.43 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.768 -2.426 28.013 1.00 22.69 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.760 -3.240 27.190 1.00 23.82 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.392 -2.826 26.079 1.00 24.33 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.046 -1.421 28.920 1.00 19.30 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.337 -4.391 27.709 1.00 23.09 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.393 -5.265 27.006 1.00 23.32 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.251 -5.684 27.934 1.00 24.24 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.461 -5.861 29.137 1.00 25.02 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.113 -6.550 26.495 1.00 24.73 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.234 -6.183 25.678 1.00 26.90 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.170 -7.418 25.668 1.00 23.91 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.047 -5.825 27.373 1.00 23.28 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.860 -6.256 28.123 1.00 22.26 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.971 -7.061 27.160 1.00 22.67 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.130 -6.954 25.942 1.00 22.92 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.099 -5.042 28.670 1.00 19.56 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.054 -7.867 27.698 1.00 22.03 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.155 -8.683 26.874 1.00 22.43 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.932 -7.950 26.352 1.00 20.58 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.251 -8.459 25.478 1.00 21.77 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.650 -9.908 27.644 1.00 25.32 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.673 -10.856 27.875 1.00 32.57 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.612 -6.791 26.910 1.00 19.71 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.456 -6.049 26.428 1.00 19.24 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.736 -4.555 26.488 1.00 20.28 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.654 -4.111 27.195 1.00 20.45 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.141 -6.374 27.236 1.00 19.78 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.187 -5.755 28.525 1.00 21.17 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.957 -7.884 27.401 1.00 16.87 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.954 -3.793 25.724 1.00 18.37 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.090 -2.346 25.660 1.00 16.81 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.789 -1.755 27.031 1.00 17.44 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.495 -0.861 27.487 1.00 17.27 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.155 -1.779 24.574 1.00 16.37 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.458 -2.418 23.325 1.00 13.84 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.358 -0.278 24.413 1.00 14.67 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.754 -2.275 27.690 1.00 19.26 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.382 -1.836 29.042 1.00 21.35 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.576 -1.952 29.996 1.00 21.99 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.840 -1.050 30.799 1.00 23.12 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.255 -2.702 29.605 1.00 21.90 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.902 -2.340 29.044 1.00 24.87 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.773 -1.269 28.409 1.00 26.40 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.956 -3.123 29.252 1.00 27.71 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.284 -3.076 29.914 1.00 20.20 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.439 -3.311 30.764 1.00 21.31 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.517 -2.289 30.485 1.00 20.87 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.188 -1.813 31.401 1.00 21.18 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.989 -4.719 30.538 1.00 25.39 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.240 -5.762 31.328 1.00 27.48 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.263 -5.403 32.024 1.00 27.88 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.634 -6.937 31.248 1.00 30.94 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.689 -1.972 29.209 1.00 19.85 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.671 -0.990 28.785 1.00 19.78 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.252 0.398 29.284 1.00 20.33 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.098 1.234 29.597 1.00 20.87 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.785 -0.976 27.255 1.00 19.99 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.223 -1.856 26.564 1.00 17.23 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.947 0.653 29.343 1.00 21.27 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.457 1.941 29.826 1.00 21.44 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.872 2.019 31.310 1.00 22.74 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.383 3.044 31.766 1.00 23.25 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.892 2.059 29.649 1.00 23.84 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.521 2.390 28.183 1.00 22.61 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.333 3.137 30.584 1.00 21.02 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 20.093 3.724 27.659 1.00 32.67 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.685 0.920 32.048 1.00 22.65 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.054 0.852 33.473 1.00 21.29 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.569 1.069 33.680 1.00 21.91 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.973 1.792 34.600 1.00 20.60 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.630 -0.527 34.122 1.00 20.71 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.419 -0.782 35.411 1.00 19.37 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.137 -0.520 34.451 1.00 19.27 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.407 0.444 32.844 1.00 20.92 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.854 0.629 32.988 1.00 20.32 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.169 2.131 32.870 1.00 20.67 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 26.991 2.652 33.625 1.00 22.09 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.659 -0.175 31.929 1.00 20.66 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.719 -1.729 31.863 1.00 21.55 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.722 -2.168 30.792 1.00 22.72 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.141 -2.325 33.193 1.00 21.70 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.507 2.830 31.947 1.00 18.76 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.751 4.265 31.765 1.00 19.39 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.292 5.090 32.977 1.00 19.68 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.953 6.050 33.381 1.00 17.99 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.066 4.796 30.477 1.00 19.96 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.218 6.318 30.385 1.00 18.45 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.684 4.132 29.265 1.00 17.02 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.150 4.719 33.546 1.00 20.16 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.635 5.402 34.732 1.00 19.79 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.629 5.191 35.873 1.00 20.50 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.900 6.104 36.651 1.00 21.58 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.278 4.825 35.134 1.00 19.39 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.063 5.228 34.305 1.00 20.66 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.945 4.218 34.439 1.00 20.52 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.613 6.580 34.776 1.00 24.14 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.174 3.981 35.975 1.00 21.25 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.129 3.686 37.035 1.00 20.87 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.433 4.423 36.782 1.00 21.32 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.211 4.672 37.706 1.00 19.84 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.389 2.172 37.138 1.00 21.75 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.245 1.385 37.785 1.00 19.57 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.716 0.041 38.311 1.00 16.71 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.753 -1.018 37.237 1.00 15.56 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.490 -2.261 37.634 1.00 16.69 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.650 4.797 35.526 1.00 22.93 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.866 5.500 35.174 1.00 21.42 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 29.958 4.509 34.811 1.00 22.04 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.115 4.901 34.655 1.00 22.39 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.603 3.223 34.691 1.00 21.10 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.574 2.166 34.322 1.00 20.68 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.787 2.210 32.760 1.00 21.42 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.692 1.556 32.238 1.00 20.58 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.128 0.731 34.894 1.00 20.47 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.019 0.776 36.508 1.00 22.61 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.330 -0.445 37.267 1.00 24.81 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 28.911 -0.117 38.426 1.00 26.86 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.234 -1.642 36.862 1.00 20.66 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.944 2.950 32.021 1.00 20.28 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.084 3.124 30.547 1.00 18.66 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.667 4.570 30.224 1.00 18.67 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.991 5.200 31.037 1.00 19.15 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.199 2.142 29.755 1.00 18.09 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.048 5.102 29.059 1.00 18.76 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.691 6.493 28.731 1.00 19.72 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.566 6.707 27.733 1.00 21.12 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.688 7.545 27.949 1.00 22.60 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.891 7.271 28.184 1.00 19.07 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.003 7.420 29.183 1.00 19.56 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.746 7.893 30.308 1.00 18.34 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.145 7.070 28.830 1.00 21.65 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.589 5.954 26.639 1.00 21.37 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.606 6.156 25.588 1.00 19.81 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.265 4.901 24.800 1.00 19.52 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.951 3.891 24.907 1.00 19.89 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.148 7.223 24.630 1.00 15.27 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.179 4.999 24.032 1.00 20.07 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.709 3.973 23.091 1.00 21.06 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.677 4.664 22.196 1.00 22.01 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.089 5.690 22.574 1.00 22.08 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.084 2.722 23.757 1.00 20.91 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.641 2.692 24.273 1.00 22.32 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.177 1.237 24.434 1.00 19.89 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.573 3.439 25.600 1.00 21.04 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.493 4.101 21.005 1.00 21.26 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.572 4.601 19.989 1.00 19.24 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.236 3.898 20.232 1.00 18.27 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.208 2.692 20.470 1.00 19.03 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.185 4.275 18.622 1.00 19.65 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.388 4.819 17.459 1.00 20.53 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.784 5.892 17.535 1.00 20.72 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.409 4.086 16.354 1.00 19.60 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.133 4.642 20.164 1.00 17.76 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.813 4.074 20.465 1.00 16.75 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.616 4.438 19.576 1.00 16.40 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.496 5.570 19.099 1.00 15.91 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.423 4.458 21.893 1.00 18.91 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.190 4.009 23.136 1.00 20.71 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.543 4.618 24.379 1.00 21.15 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.164 2.502 23.227 1.00 21.89 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.709 3.483 19.393 1.00 15.33 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.499 3.734 18.628 1.00 16.14 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.669 4.671 19.541 1.00 17.67 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.886 4.711 20.764 1.00 18.29 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.795 2.400 18.366 1.00 15.08 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.279 2.509 18.380 1.00 15.88 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 13.665 2.806 17.335 1.00 15.26 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.679 2.285 19.446 1.00 20.36 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.752 5.436 18.951 1.00 17.66 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.942 6.365 19.720 1.00 17.92 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.201 5.810 20.920 1.00 18.45 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 13.049 6.494 21.931 1.00 19.20 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.719 4.576 20.802 1.00 17.93 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.994 3.945 21.891 1.00 17.98 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.824 3.810 23.159 1.00 19.78 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.318 3.971 24.274 1.00 19.35 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.107 3.507 22.993 1.00 20.13 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.994 3.374 24.138 1.00 20.78 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.440 4.750 24.644 1.00 20.99 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.782 4.891 25.814 1.00 21.18 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.224 2.544 23.780 1.00 20.56 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.947 1.094 23.422 1.00 23.22 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.318 0.231 24.320 1.00 22.20 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.388 0.568 22.207 1.00 23.13 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.144 -1.121 24.014 1.00 22.77 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.221 -0.769 21.894 1.00 24.40 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.601 -1.612 22.796 1.00 24.75 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.451 -2.942 22.454 1.00 26.54 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.448 5.754 23.764 1.00 20.85 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.844 7.107 24.146 1.00 19.27 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.808 7.585 25.156 1.00 20.91 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.116 8.344 26.071 1.00 22.32 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.882 8.083 22.921 1.00 18.77 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.018 7.689 21.975 1.00 16.76 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.080 9.535 23.402 1.00 16.51 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 16.996 8.418 20.627 1.00 16.50 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.576 7.122 24.987 1.00 22.51 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.488 7.480 25.887 1.00 24.12 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.749 6.895 27.289 1.00 25.01 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.609 7.598 28.292 1.00 26.39 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.168 6.954 25.320 1.00 24.16 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.983 7.188 26.216 1.00 25.91 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.259 8.379 26.160 1.00 26.80 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.607 6.232 27.156 1.00 27.23 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.192 8.613 27.021 1.00 27.69 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.542 6.456 28.020 1.00 29.20 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.841 7.652 27.946 1.00 28.73 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.795 7.898 28.800 1.00 30.23 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.119 5.612 27.352 1.00 24.10 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.424 4.955 28.624 1.00 24.46 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.581 5.716 29.271 1.00 24.49 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.492 6.162 30.415 1.00 24.97 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.884 3.474 28.427 1.00 25.31 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.795 2.680 27.931 1.00 27.50 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.392 2.879 29.755 1.00 25.53 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.663 5.867 28.513 1.00 22.42 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.864 6.543 28.981 1.00 21.49 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.679 7.997 29.432 1.00 21.80 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.340 8.432 30.376 1.00 20.74 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.940 6.463 27.908 1.00 19.20 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.800 8.740 28.756 1.00 21.11 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.552 10.126 29.114 1.00 19.89 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.934 10.232 30.495 1.00 22.34 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.290 11.114 31.281 1.00 21.96 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 14.006 9.331 30.800 1.00 23.67 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.359 9.336 32.106 1.00 25.35 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.376 9.094 33.213 1.00 25.75 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.131 9.425 34.373 1.00 27.11 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.274 8.262 32.164 1.00 28.58 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.080 8.525 31.256 1.00 30.18 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.785 8.546 32.068 1.00 34.47 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.540 8.958 31.250 1.00 38.06 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.307 10.411 30.889 1.00 43.37 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.519 8.519 32.853 1.00 25.62 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.563 8.238 33.827 1.00 25.35 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.665 9.285 33.787 1.00 23.52 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.735 9.102 34.367 1.00 23.38 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.141 6.839 33.594 1.00 27.39 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.908 5.515 33.786 1.00 33.42 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.405 10.381 33.085 1.00 22.58 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.381 11.457 33.013 1.00 23.87 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.389 11.479 31.872 1.00 23.99 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.144 12.445 31.759 1.00 25.29 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.425 10.448 31.030 1.00 22.08 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.381 10.429 29.921 1.00 21.82 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.984 11.437 28.830 1.00 21.44 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.806 11.757 28.674 1.00 22.30 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.474 9.022 29.316 1.00 22.75 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.896 7.828 30.173 1.00 21.06 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.580 6.847 29.257 1.00 21.33 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.850 8.230 31.285 1.00 21.09 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.949 11.937 28.065 1.00 20.05 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.619 12.919 27.023 1.00 20.87 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.102 12.600 25.607 1.00 21.79 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.099 11.905 25.418 1.00 21.50 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.159 14.342 27.373 1.00 19.71 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.569 14.830 28.700 1.00 22.52 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.688 14.326 27.451 1.00 17.77 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.361 13.073 24.591 1.00 21.46 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.752 12.843 23.198 1.00 20.74 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.947 13.757 22.997 1.00 20.39 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.936 14.910 23.426 1.00 19.95 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.527 13.290 22.401 1.00 20.92 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.830 14.237 23.346 1.00 23.16 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 18.969 13.539 24.659 1.00 22.27 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.965 13.235 22.336 1.00 19.52 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.209 13.948 22.109 1.00 18.97 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.458 14.232 20.632 1.00 20.75 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.865 15.325 20.248 1.00 21.47 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.353 13.094 22.675 1.00 17.95 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.692 13.670 22.293 1.00 17.46 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.199 12.980 24.181 1.00 17.73 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.204 13.226 19.812 1.00 21.89 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.408 13.319 18.382 1.00 23.23 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.448 12.335 17.754 1.00 23.56 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.158 11.290 18.339 1.00 23.65 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.840 12.921 18.019 1.00 23.78 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.045 13.808 18.332 1.00 24.04 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.306 13.076 17.910 1.00 22.70 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.934 15.123 17.594 1.00 22.86 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.976 12.656 16.556 1.00 23.16 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.027 11.798 15.865 1.00 23.22 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.574 11.200 14.576 1.00 24.10 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.472 11.758 13.954 1.00 24.73 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.763 12.584 15.566 1.00 21.58 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.036 10.047 14.188 1.00 25.53 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.442 9.409 12.938 1.00 25.55 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.805 10.213 11.816 1.00 27.39 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.650 10.632 11.915 1.00 24.23 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.922 7.975 12.829 1.00 24.56 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.738 6.939 13.558 1.00 22.61 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.226 5.534 13.333 1.00 22.60 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 21.117 5.367 12.781 1.00 18.80 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.943 4.593 13.722 1.00 23.18 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.565 10.421 10.750 1.00 30.76 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.090 11.158 9.587 1.00 34.60 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.404 10.323 8.357 1.00 37.69 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.556 9.957 8.149 1.00 38.07 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.834 12.475 9.466 1.00 34.38 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.912 13.649 9.257 1.00 34.76 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.357 14.791 9.237 1.00 38.64 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.623 13.381 9.103 1.00 33.52 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.398 9.997 7.552 1.00 42.86 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.643 9.227 6.328 1.00 48.30 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.649 10.254 5.178 1.00 51.20 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.576 11.462 5.432 1.00 51.23 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.547 8.166 6.136 1.00 48.58 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.134 8.729 6.296 1.00 51.82 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.020 7.673 6.265 1.00 55.17 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.815 8.185 5.614 1.00 60.19 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 15.880 9.004 6.086 1.00 62.29 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 15.943 9.490 7.298 1.00 62.58 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.865 9.341 5.283 1.00 62.11 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.744 9.808 3.926 1.00 55.55 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.774 10.766 2.818 1.00 59.64 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.441 11.401 2.440 1.00 61.88 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.376 10.809 2.598 1.00 62.25 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.443 10.155 1.572 1.00 60.24 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.292 8.655 1.368 1.00 61.80 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.469 8.107 0.538 1.00 64.01 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.597 7.496 1.405 1.00 65.01 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.250 8.414 2.393 1.00 64.43 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.520 12.634 1.954 1.00 64.95 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.343 13.390 1.546 1.00 68.61 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.563 14.073 0.201 1.00 70.50 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.704 14.300 -0.211 1.00 71.17 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 19.023 14.452 2.594 1.00 69.08 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 20.212 15.055 3.079 1.00 71.34 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.458 14.381 -0.473 1.00 72.05 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.481 15.071 -1.754 1.00 73.23 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.221 16.552 -1.466 1.00 74.20 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.406 17.420 -2.326 1.00 74.58 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.408 14.490 -2.691 1.00 72.96 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.363 13.871 -1.957 1.00 72.58 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.791 16.805 -0.227 1.00 75.39 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.485 18.139 0.301 1.00 76.16 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.587 18.497 1.313 1.00 76.89 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.154 17.610 1.958 1.00 77.24 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 16.125 18.132 1.022 1.00 76.00 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.401 19.473 1.022 1.00 76.40 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 14.833 19.859 2.388 1.00 76.96 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 15.528 21.105 2.922 1.00 77.64 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 14.567 22.101 3.472 1.00 77.55 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.880 19.789 1.454 1.00 77.28 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.919 20.270 2.372 1.00 77.36 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.324 19.773 2.000 1.00 76.55 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 22.302 20.056 2.701 1.00 75.78 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.580 19.894 3.824 1.00 77.92 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.813 20.955 4.553 1.00 79.40 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.569 20.735 5.105 1.00 79.98 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 19.109 22.255 4.801 1.00 79.73 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 17.132 21.852 5.663 1.00 80.19 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 18.047 22.789 5.492 1.00 80.30 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.410 19.053 0.880 1.00 75.80 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.664 18.498 0.363 1.00 74.76 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.793 19.531 0.308 1.00 73.72 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.973 19.179 0.397 1.00 74.06 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.427 17.907 -1.032 1.00 74.73 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.841 18.861 -1.898 1.00 74.92 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.433 20.801 0.144 1.00 71.79 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.426 21.868 0.114 1.00 69.97 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.125 21.922 1.484 1.00 67.77 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.349 22.067 1.565 1.00 67.23 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.748 23.209 -0.210 1.00 70.64 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.476 23.311 0.411 1.00 71.33 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.337 21.781 2.553 1.00 64.84 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.850 21.800 3.927 1.00 61.41 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.649 20.539 4.260 1.00 58.29 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.317 19.441 3.810 1.00 57.24 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.695 21.935 4.927 1.00 62.22 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.584 23.240 5.723 1.00 63.05 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 22.530 23.068 6.813 1.00 63.24 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 24.929 23.593 6.352 1.00 63.05 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.696 20.698 5.063 1.00 55.22 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.535 19.562 5.436 1.00 52.03 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.763 18.604 6.341 1.00 47.80 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.907 19.025 7.117 1.00 47.22 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.809 20.047 6.133 1.00 54.10 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.879 18.975 6.195 1.00 56.50 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.472 18.657 5.139 1.00 57.81 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.119 18.441 7.300 1.00 57.59 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.072 17.315 6.234 1.00 43.29 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.389 16.279 7.011 1.00 39.74 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.273 16.520 8.513 1.00 38.46 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.220 16.283 9.099 1.00 38.43 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 27.056 14.917 6.793 1.00 36.00 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 26.085 13.541 7.501 1.00 33.84 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.349 16.984 9.132 1.00 37.31 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.350 17.215 10.567 1.00 38.47 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.388 18.310 11.053 1.00 38.70 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.899 18.249 12.184 1.00 36.33 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.796 17.508 11.057 1.00 40.13 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.787 17.942 12.509 1.00 40.51 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.658 16.249 10.903 1.00 40.19 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.098 19.284 10.192 1.00 39.92 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.214 20.400 10.538 1.00 41.73 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.812 20.296 9.911 1.00 42.35 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 22.914 21.066 10.257 1.00 42.40 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.881 21.722 10.119 1.00 42.72 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.343 21.927 10.558 1.00 44.04 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.173 22.474 9.403 1.00 45.44 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.402 22.861 11.749 1.00 44.59 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.629 19.345 8.992 1.00 43.14 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.341 19.150 8.314 1.00 42.93 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.281 18.597 9.257 1.00 42.75 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.538 17.654 10.005 1.00 41.91 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.479 18.172 7.138 1.00 44.53 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.173 17.996 6.341 1.00 46.16 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.168 16.790 5.401 1.00 46.40 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.457 16.548 4.765 1.00 47.12 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.055 15.362 4.758 1.00 47.45 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.471 14.327 5.350 1.00 48.07 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.236 15.212 4.173 1.00 48.14 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.065 19.170 9.234 1.00 42.60 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.073 18.600 10.156 1.00 41.20 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.778 17.151 9.769 1.00 41.30 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.928 16.762 8.609 1.00 40.48 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.837 19.484 9.967 1.00 40.20 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.324 20.694 9.208 1.00 41.28 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.486 20.226 8.384 1.00 41.03 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.355 16.356 10.742 1.00 41.92 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 18.029 14.966 10.483 1.00 42.11 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.633 14.918 9.870 1.00 42.22 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.834 15.830 10.053 1.00 41.10 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 18.064 14.153 11.783 1.00 41.79 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.132 14.705 12.721 1.00 41.68 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.462 14.197 12.384 1.00 41.90 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.327 13.857 9.142 1.00 42.70 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 15.022 13.786 8.518 1.00 42.58 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 14.012 12.853 9.151 1.00 40.32 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.812 13.027 8.970 1.00 41.87 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.189 13.443 7.054 1.00 45.86 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.827 14.557 6.273 1.00 50.94 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 16.423 13.994 5.022 1.00 54.33 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 15.707 13.240 4.327 1.00 55.66 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 17.589 14.309 4.729 1.00 56.64 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.481 11.861 9.889 1.00 37.55 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.553 10.935 10.500 1.00 34.61 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.350 9.812 9.513 1.00 33.73 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.502 10.011 8.308 1.00 34.45 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 13.011 8.629 9.999 1.00 29.29 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.827 7.532 9.082 1.00 26.16 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.377 7.098 8.990 1.00 25.93 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.571 7.442 9.848 1.00 26.64 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.784 6.383 9.455 1.00 25.94 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.660 5.871 10.875 1.00 24.80 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.833 4.800 11.159 1.00 23.94 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.418 6.417 11.922 1.00 26.45 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.762 4.264 12.435 1.00 25.01 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.352 5.886 13.211 1.00 24.95 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.522 4.806 13.456 1.00 24.59 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.447 4.238 14.706 1.00 23.78 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.041 6.363 7.934 1.00 23.42 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.666 5.931 7.737 1.00 22.41 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.359 4.518 8.236 1.00 22.93 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.892 3.523 7.734 1.00 25.70 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.266 6.050 6.252 1.00 22.68 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.270 7.381 5.460 1.00 23.22 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.595 7.138 4.120 1.00 20.67 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.535 8.500 6.205 1.00 23.43 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.490 4.454 9.240 1.00 20.19 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.051 3.201 9.824 1.00 18.15 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.010 2.609 8.868 1.00 18.98 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 5.990 3.239 8.581 1.00 20.16 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.424 3.460 11.180 1.00 15.32 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.256 1.400 8.377 1.00 17.79 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.323 0.763 7.446 1.00 17.93 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 6.003 -0.664 7.869 1.00 18.69 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.726 -1.245 8.680 1.00 20.26 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.901 0.706 6.005 1.00 17.10 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.304 2.094 5.542 1.00 16.94 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.101 -0.242 5.967 1.00 14.64 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.900 -1.204 7.340 1.00 17.69 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.484 -2.586 7.597 1.00 16.23 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.683 -3.247 6.235 1.00 16.18 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 4.196 -2.744 5.224 1.00 14.57 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.024 -2.651 8.000 1.00 18.43 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.396 -4.366 6.206 1.00 16.17 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.703 -5.042 4.949 1.00 16.59 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.180 -6.466 4.857 1.00 19.52 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.282 -7.239 5.811 1.00 20.07 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.222 -5.087 4.737 1.00 14.27 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.546 -5.498 3.318 1.00 14.57 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.824 -3.742 5.078 1.00 15.20 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.637 -6.812 3.694 1.00 20.79 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.111 -8.152 3.461 1.00 21.50 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.585 -8.679 2.116 1.00 22.53 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.140 -7.938 1.302 1.00 22.61 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.556 -8.175 3.488 1.00 22.88 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.059 -7.747 4.863 1.00 21.78 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.989 -7.254 2.397 1.00 22.54 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.386 -9.972 1.900 1.00 23.90 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.766 -10.611 0.646 1.00 25.50 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.586 -10.368 -0.306 1.00 25.96 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.432 -10.508 0.097 1.00 25.12 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.947 -12.116 0.870 1.00 26.68 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.289 -12.697 0.436 1.00 28.34 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.364 -12.468 1.475 1.00 29.10 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.642 -13.231 1.134 1.00 30.48 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.469 -14.714 1.091 1.00 29.50 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.865 -9.992 -1.550 1.00 27.63 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.803 -9.747 -2.536 1.00 29.19 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.957 -11.016 -2.742 1.00 29.90 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.723 -10.945 -2.797 1.00 30.47 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.426 -9.314 -3.867 1.00 30.67 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.454 -8.997 -4.996 1.00 33.86 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.084 -9.423 -6.321 1.00 35.40 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.745 -8.488 -7.468 1.00 37.93 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.867 -8.432 -8.461 1.00 40.46 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.621 -12.168 -2.840 1.00 28.73 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.932 -13.436 -3.041 1.00 29.81 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.913 -13.722 -1.952 1.00 31.11 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? 0.097 -14.631 -2.090 1.00 33.98 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.935 -14.568 -3.118 1.00 28.81 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.964 -12.965 -0.862 1.00 32.63 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? 0.012 -13.149 0.226 1.00 33.32 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.132 -12.169 -0.118 1.00 34.20 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.304 -11.160 0.564 1.00 34.20 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.678 -12.773 1.560 1.00 34.08 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.010 -13.416 2.765 1.00 35.06 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.195 -13.653 2.769 1.00 35.26 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.796 -13.681 3.808 1.00 35.50 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.887 -12.475 -1.188 1.00 34.45 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.020 -11.653 -1.692 1.00 35.31 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.081 -11.402 -0.587 1.00 35.88 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.266 -12.237 0.305 1.00 36.04 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.668 -12.313 -3.004 1.00 36.97 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.619 -12.519 -4.195 1.00 38.39 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.050 -13.114 -5.604 1.00 42.04 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.056 -13.410 -6.333 1.00 45.45 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.226 -13.277 -6.038 1.00 42.20 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.736 -10.241 -0.599 1.00 35.28 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.778 -9.991 0.393 1.00 36.80 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.458 -9.639 1.845 1.00 37.50 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.373 -9.428 2.654 1.00 38.15 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.180 -9.609 2.199 1.00 36.85 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.774 -9.254 3.556 1.00 34.61 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.604 -7.726 3.543 1.00 34.43 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.832 -7.199 2.739 1.00 33.89 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.448 -9.947 3.900 1.00 34.14 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.654 -9.656 5.184 1.00 33.86 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.565 -9.678 6.397 1.00 35.04 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.540 -10.690 5.328 1.00 33.17 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.352 -7.023 4.400 1.00 34.20 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.301 -5.551 4.512 1.00 34.67 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.243 -5.176 5.991 1.00 35.33 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.403 -6.045 6.849 1.00 36.32 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.571 -4.869 3.968 1.00 35.37 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.680 -5.208 4.812 1.00 36.42 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.859 -5.301 2.546 1.00 34.58 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.053 -3.892 6.294 1.00 34.67 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -3.994 -3.458 7.690 1.00 34.55 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.195 -3.938 8.491 1.00 34.99 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.062 -4.285 9.664 1.00 34.78 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.902 -1.930 7.799 1.00 34.47 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.813 -1.445 9.234 1.00 36.21 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.828 -0.932 10.000 1.00 35.81 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.647 -1.458 10.074 1.00 35.55 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.365 -0.626 11.260 1.00 36.03 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.032 -0.939 11.332 1.00 35.67 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.318 -1.858 9.884 1.00 33.99 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.132 -0.810 12.396 1.00 35.57 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.425 -1.729 10.943 1.00 34.13 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.838 -1.209 12.181 1.00 35.16 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.364 -3.970 7.852 1.00 36.05 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.593 -4.399 8.520 1.00 36.63 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.787 -5.909 8.669 1.00 36.28 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.792 -6.338 9.235 1.00 38.00 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.826 -3.838 7.808 1.00 36.68 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.723 -2.354 7.536 1.00 37.14 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.517 -1.546 8.445 1.00 37.98 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -8.873 -1.985 6.273 1.00 36.61 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.869 -6.724 8.161 1.00 34.12 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.031 -8.168 8.315 1.00 33.83 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.822 -8.765 9.026 1.00 34.18 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.501 -9.946 8.858 1.00 34.40 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.254 -8.861 6.955 1.00 32.96 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.156 -8.702 6.072 1.00 33.45 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.161 -7.945 9.837 1.00 33.67 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.990 -8.403 10.573 1.00 33.02 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.280 -9.298 11.786 1.00 33.70 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.404 -10.059 12.205 1.00 33.41 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.116 -7.207 10.993 1.00 31.17 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.208 -6.686 9.870 1.00 30.28 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.332 -5.547 10.359 1.00 28.45 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.347 -7.833 9.364 1.00 29.41 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.491 -9.237 12.343 1.00 33.40 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.799 -10.074 13.505 1.00 34.69 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.541 -11.561 13.221 1.00 34.38 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.907 -12.072 12.165 1.00 34.12 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.251 -9.887 13.974 1.00 34.44 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.368 -10.049 15.491 1.00 37.30 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.770 -10.373 15.991 1.00 39.48 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.773 -10.522 17.517 1.00 40.56 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.658 -11.394 18.027 1.00 41.35 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.910 -12.233 14.183 1.00 34.35 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.550 -13.654 14.112 1.00 36.39 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.511 -14.003 13.042 1.00 35.54 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.349 -15.170 12.673 1.00 35.67 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.794 -14.532 13.930 1.00 39.31 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.764 -14.419 15.092 1.00 42.90 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.943 -14.780 14.897 1.00 45.69 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.354 -13.977 16.194 1.00 44.33 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.803 -13.001 12.540 1.00 34.06 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.767 -13.275 11.554 1.00 31.90 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.432 -13.437 12.308 1.00 29.79 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.394 -13.323 13.541 1.00 27.96 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.722 -12.151 10.504 1.00 33.51 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.942 -12.173 9.554 1.00 34.27 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.281 -13.616 9.141 1.00 35.12 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.360 -13.714 8.067 1.00 34.08 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.656 -13.120 8.489 1.00 33.57 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.644 -13.746 11.591 1.00 27.29 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.952 -13.923 12.221 1.00 26.01 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.783 -12.666 11.982 1.00 24.35 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.866 -12.181 10.858 1.00 21.35 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.647 -15.166 11.647 1.00 27.59 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.969 -16.474 12.045 1.00 31.05 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.619 -17.682 11.376 1.00 34.29 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.116 -17.867 9.954 1.00 36.66 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.058 -18.696 9.146 1.00 38.93 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.405 -12.142 13.037 1.00 21.88 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.176 -10.911 12.906 1.00 21.44 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.645 -10.983 13.275 1.00 22.10 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.056 -11.823 14.075 1.00 22.87 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.523 -9.799 13.737 1.00 19.45 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.677 -10.038 15.124 1.00 16.34 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.427 -10.084 12.681 1.00 22.10 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.859 -9.989 12.951 1.00 21.53 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.161 -8.552 13.388 1.00 22.22 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.872 -7.583 12.664 1.00 23.85 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.673 -10.320 11.704 1.00 21.28 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.289 -11.869 10.816 1.00 23.07 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.749 -8.430 14.575 1.00 21.32 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.085 -7.141 15.174 1.00 19.59 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.576 -7.041 15.425 1.00 18.15 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.209 -8.034 15.786 1.00 18.35 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.365 -7.002 16.513 1.00 19.39 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.893 -7.232 16.428 1.00 20.66 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.984 -6.202 16.349 1.00 21.23 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.171 -8.376 16.392 1.00 22.21 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.763 -6.699 16.273 1.00 22.27 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.848 -8.017 16.296 1.00 22.41 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.134 -5.846 15.255 1.00 17.05 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.558 -5.641 15.501 1.00 16.46 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.912 -6.055 16.933 1.00 16.13 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.879 -6.783 17.160 1.00 15.65 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.937 -4.178 15.323 1.00 15.85 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.114 -3.374 16.173 1.00 18.63 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.748 -3.756 13.881 1.00 14.70 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.114 -5.584 17.889 1.00 15.26 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.315 -5.886 19.302 1.00 16.07 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.311 -5.079 20.110 1.00 17.01 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.897 -4.002 19.688 1.00 19.09 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.723 -5.516 19.728 1.00 13.40 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.912 -5.617 21.257 1.00 17.00 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.977 -4.945 22.154 1.00 17.64 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.553 -3.551 22.497 1.00 17.64 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.770 -3.388 22.626 1.00 15.62 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.788 -5.798 23.445 1.00 19.05 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 9.096 -4.989 24.524 1.00 19.96 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.980 -7.049 23.110 1.00 20.03 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.678 -2.555 22.627 1.00 18.89 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.060 -1.171 22.948 1.00 19.61 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.742 -0.352 21.847 1.00 19.13 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.134 0.790 22.092 1.00 18.93 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.949 -1.109 24.194 1.00 22.61 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.162 -1.204 25.486 1.00 27.49 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.926 -0.998 25.460 1.00 28.60 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.790 -1.473 26.539 1.00 30.17 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.898 -0.902 20.648 1.00 18.50 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.531 -0.125 19.584 1.00 18.84 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.517 0.696 18.774 1.00 17.87 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.317 0.421 18.804 1.00 17.79 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.399 -1.047 18.724 1.00 19.10 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.672 -1.362 19.498 1.00 21.33 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.724 -2.140 18.746 1.00 23.03 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.055 -1.541 17.463 1.00 25.66 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.071 -1.936 16.704 1.00 25.47 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.862 -2.923 17.112 1.00 24.58 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.271 -1.381 15.520 1.00 24.80 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.976 1.723 18.072 1.00 17.85 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 10.036 2.573 17.336 1.00 19.12 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.158 1.922 16.270 1.00 21.01 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.941 1.821 16.438 1.00 22.15 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.751 3.771 16.694 1.00 18.64 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.530 4.445 17.688 1.00 22.99 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.731 4.752 16.137 1.00 18.62 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.767 1.495 15.171 1.00 20.25 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.012 0.882 14.095 1.00 20.91 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.625 -0.551 14.407 1.00 20.74 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.560 -1.008 14.010 1.00 20.96 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 9.818 0.937 12.789 1.00 20.19 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.469 -1.261 15.136 1.00 20.47 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.145 -2.645 15.410 1.00 20.40 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.054 -2.891 16.423 1.00 20.61 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.425 -3.950 16.409 1.00 20.72 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.781 -1.908 17.273 1.00 21.08 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.797 -2.134 18.319 1.00 20.59 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.919 -0.972 18.753 1.00 20.36 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.695 -1.073 18.718 1.00 20.22 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.537 -2.697 19.534 1.00 19.32 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.670 -3.073 20.682 1.00 19.52 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.300 -2.283 21.724 1.00 17.66 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.076 -4.353 20.913 1.00 20.29 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.512 -2.990 22.596 1.00 18.15 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.357 -4.265 22.124 1.00 19.81 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.084 -5.572 20.213 1.00 18.88 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.647 -5.349 22.658 1.00 20.49 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.381 -6.651 20.741 1.00 20.59 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.672 -6.532 21.953 1.00 22.08 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.547 0.118 19.178 1.00 20.51 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.811 1.278 19.663 1.00 21.76 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.751 1.838 18.727 1.00 22.73 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.611 2.041 19.132 1.00 24.07 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.785 2.389 20.065 1.00 22.07 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.582 2.043 21.330 1.00 24.38 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.297 1.045 22.010 1.00 24.09 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.571 2.872 21.656 1.00 20.34 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.119 2.080 17.474 1.00 23.43 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.185 2.633 16.504 1.00 22.93 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.111 1.611 16.152 1.00 24.97 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.923 1.853 16.384 1.00 24.73 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.922 3.105 15.200 1.00 22.10 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.715 4.396 15.462 1.00 23.09 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.927 3.290 14.064 1.00 20.76 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.896 5.601 15.919 1.00 24.34 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.510 0.441 15.615 1.00 25.60 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.486 -0.547 15.261 1.00 24.97 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.572 -0.983 16.402 1.00 25.06 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.354 -0.998 16.238 1.00 25.52 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.297 -1.696 14.657 1.00 25.33 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.591 -1.622 15.367 1.00 25.15 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.865 -0.136 15.530 1.00 25.55 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.141 -1.324 17.554 1.00 24.17 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.317 -1.743 18.680 1.00 25.37 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.519 -0.573 19.249 1.00 25.44 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.573 -0.766 19.791 1.00 24.63 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.175 -2.384 19.773 1.00 24.48 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.870 -3.650 19.328 1.00 27.40 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.737 -4.912 18.695 1.00 29.62 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.894 -4.636 16.961 1.00 34.90 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 1.069 0.633 19.134 1.00 24.89 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.363 1.809 19.607 1.00 25.92 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.912 1.993 18.790 1.00 27.64 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -1.988 2.243 19.343 1.00 27.09 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.799 1.862 17.469 1.00 27.32 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.952 2.002 16.592 1.00 29.23 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.973 0.884 16.847 1.00 30.12 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.176 1.135 16.889 1.00 30.81 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.514 1.960 15.120 1.00 29.37 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.536 3.023 14.608 1.00 28.89 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.102 2.685 13.193 1.00 27.13 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.192 4.391 14.659 1.00 27.35 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.487 -0.342 17.017 1.00 30.57 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.352 -1.493 17.250 1.00 32.29 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.134 -1.406 18.560 1.00 33.64 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.304 -1.789 18.603 1.00 34.36 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.528 -2.814 17.147 1.00 32.15 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.358 -3.172 15.665 1.00 32.23 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.204 -3.941 17.898 1.00 30.00 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.303 -4.223 15.378 1.00 31.22 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.505 -0.917 19.627 1.00 35.65 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.221 -0.750 20.894 1.00 37.23 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.280 0.327 20.628 1.00 37.98 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.461 0.125 20.909 1.00 38.56 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.292 -0.261 22.060 1.00 38.28 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.129 0.353 23.184 1.00 36.82 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.478 -1.432 22.617 1.00 39.10 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.874 1.464 20.072 1.00 37.82 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.853 2.506 19.819 1.00 38.23 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.043 1.985 19.043 1.00 38.92 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.172 2.151 19.478 1.00 39.35 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.222 3.648 19.086 1.00 37.16 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.503 4.570 19.999 1.00 36.32 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.426 4.387 21.228 1.00 32.00 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -3.958 5.592 19.393 1.00 36.14 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.793 1.326 17.915 1.00 40.10 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.864 0.754 17.098 1.00 40.61 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.719 -0.329 17.784 1.00 41.04 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.931 -0.359 17.602 1.00 41.50 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.281 0.188 15.804 1.00 40.26 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.960 1.244 14.762 1.00 42.70 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -5.911 0.788 13.771 1.00 43.89 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.717 -0.413 13.566 1.00 45.09 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.235 1.745 13.139 1.00 43.64 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.119 -1.218 18.571 1.00 41.94 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.924 -2.264 19.215 1.00 42.76 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.519 -1.912 20.584 1.00 43.57 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.216 -2.740 21.171 1.00 43.92 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.131 -3.596 19.397 1.00 42.22 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.163 -3.445 20.444 1.00 42.56 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.427 -3.990 18.106 1.00 42.16 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.269 -0.702 21.085 1.00 44.78 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.788 -0.325 22.394 1.00 45.96 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.477 -1.421 23.406 1.00 47.46 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.347 -1.846 24.176 1.00 47.76 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.223 -1.869 23.413 1.00 47.77 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.789 -2.953 24.293 1.00 48.70 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.268 -2.979 24.513 1.00 48.69 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.502 -2.594 23.632 1.00 50.40 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.240 -4.281 23.679 1.00 48.93 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.542 -5.388 24.225 1.00 50.67 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.833 -3.434 25.684 1.00 47.82 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.405 -3.514 25.987 1.00 46.39 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.896 -4.933 25.779 1.00 45.17 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.753 -5.245 26.119 1.00 44.46 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.140 -3.139 27.439 1.00 47.46 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.157 -1.374 27.870 1.00 49.71 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.737 -5.797 25.229 1.00 43.86 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.331 -7.179 25.029 1.00 44.49 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.532 -7.421 23.750 1.00 44.28 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.798 -8.375 23.019 1.00 44.58 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.559 -8.084 25.077 1.00 43.60 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.551 -6.559 23.490 1.00 43.40 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.717 -6.703 22.306 1.00 43.00 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.954 -8.047 22.312 1.00 42.82 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.325 -8.405 21.314 1.00 42.89 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.742 -5.511 22.171 1.00 41.63 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.175 -5.320 23.354 1.00 40.30 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.166 -4.128 24.076 1.00 39.29 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.038 -6.332 23.748 1.00 39.95 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 1.004 -3.950 25.174 1.00 39.29 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.878 -6.168 24.842 1.00 41.51 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.860 -4.972 25.561 1.00 40.54 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -1.005 -8.785 23.424 1.00 41.74 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.337 -10.085 23.484 1.00 41.56 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.233 -11.167 22.889 1.00 40.74 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.787 -12.283 22.636 1.00 40.88 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.094 -10.463 24.926 1.00 43.56 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.045 -10.435 25.946 1.00 44.65 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.867 -9.500 25.911 1.00 45.67 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.085 -11.346 26.811 1.00 45.69 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.493 -10.811 22.643 1.00 40.16 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.485 -11.718 22.055 1.00 39.58 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.892 -11.322 20.627 1.00 37.64 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.702 -12.009 20.013 1.00 38.34 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.750 -11.765 22.926 1.00 42.40 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.855 -12.988 23.832 1.00 47.48 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.310 -12.642 25.239 1.00 49.98 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.733 -13.204 26.196 1.00 51.88 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.242 -11.819 25.391 1.00 51.81 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.336 -10.236 20.089 1.00 35.29 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.708 -9.793 18.743 1.00 33.78 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.174 -10.658 17.591 1.00 33.36 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.901 -10.918 16.640 1.00 34.67 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.304 -8.328 18.523 1.00 32.86 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.894 -7.707 17.267 1.00 34.22 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.234 -7.303 17.218 1.00 33.93 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.098 -7.504 16.138 1.00 33.93 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.767 -6.712 16.061 1.00 32.51 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.621 -6.915 14.981 1.00 32.08 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.955 -6.515 14.944 1.00 31.93 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.920 -11.092 17.644 1.00 31.34 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.397 -11.946 16.580 1.00 30.63 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.397 -13.376 17.115 1.00 31.32 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.267 -13.583 18.321 1.00 32.77 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.034 -11.555 16.204 1.00 30.11 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.150 -10.207 15.546 1.00 30.32 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.282 -10.005 14.237 1.00 28.07 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.740 -9.145 16.225 1.00 31.23 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.137 -8.761 13.623 1.00 26.61 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.888 -7.896 15.614 1.00 30.16 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.456 -7.709 14.310 1.00 27.75 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.546 -14.364 16.241 1.00 30.23 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.537 -15.742 16.707 1.00 30.12 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.148 -16.047 17.241 1.00 29.87 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? 0.006 -16.578 18.345 1.00 29.53 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.880 -16.699 15.568 1.00 30.22 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.189 -16.341 14.389 1.00 34.16 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.858 -15.682 16.450 1.00 28.44 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.256 -15.905 16.799 1.00 26.86 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.172 -14.792 16.289 1.00 25.10 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.931 -14.197 15.232 1.00 24.98 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.738 -17.230 16.222 1.00 28.46 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.139 -18.455 16.855 1.00 29.65 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.710 -19.716 16.251 1.00 33.47 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 3.145 -20.623 16.966 1.00 36.84 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.721 -19.782 14.922 1.00 32.21 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.256 -14.560 17.022 1.00 22.00 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.201 -13.503 16.684 1.00 20.40 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.642 -13.794 17.049 1.00 18.94 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.961 -14.766 17.740 1.00 20.36 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.859 -12.226 17.464 1.00 20.38 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.565 -11.729 17.200 1.00 20.67 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.526 -12.949 16.545 1.00 15.85 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.895 -12.998 17.010 1.00 14.74 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.066 -11.519 17.392 1.00 13.57 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.088 -10.626 16.539 1.00 10.08 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.949 -13.405 15.976 1.00 15.20 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.596 -13.168 16.738 1.00 16.58 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.107 -11.276 18.696 1.00 13.67 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.250 -9.936 19.243 1.00 14.02 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.306 -10.002 20.345 1.00 15.08 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.987 -10.113 21.535 1.00 14.81 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.902 -9.437 19.803 1.00 9.46 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.585 -9.935 19.955 1.00 17.10 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.709 -9.990 20.900 1.00 16.61 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.479 -9.143 22.150 1.00 17.63 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.060 -7.981 22.065 1.00 18.46 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.882 -9.487 20.072 1.00 16.52 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.518 -9.923 18.679 1.00 19.04 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.048 -9.612 18.594 1.00 16.50 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.758 -9.735 23.307 1.00 17.24 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.577 -9.025 24.555 1.00 17.64 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.305 -9.378 25.307 1.00 17.86 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.130 -8.942 26.434 1.00 18.02 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.397 -10.136 24.699 1.00 19.57 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.170 -10.526 25.401 1.00 20.29 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.427 -11.877 26.091 1.00 20.55 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.516 -12.424 25.972 1.00 21.20 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.003 -10.624 24.420 1.00 19.84 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.445 -12.409 26.816 1.00 21.73 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.606 -13.689 27.530 1.00 22.54 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.839 -14.849 26.540 1.00 22.68 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.990 -15.139 25.695 1.00 21.92 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.354 -13.939 28.406 1.00 24.99 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.426 -15.238 29.238 1.00 28.68 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.492 -15.890 29.314 1.00 31.05 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.388 -15.600 29.835 1.00 31.38 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.997 -15.527 26.640 1.00 23.18 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.347 -16.650 25.757 1.00 23.79 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.293 -17.751 25.639 1.00 25.41 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.189 -18.399 24.596 1.00 25.48 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.646 -17.191 26.358 1.00 22.56 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.237 -16.005 27.050 1.00 22.78 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.040 -15.313 27.660 1.00 22.31 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.530 -17.968 26.710 1.00 26.75 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.497 -19.008 26.732 1.00 28.19 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.231 -18.540 26.040 1.00 29.05 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.386 -19.357 25.670 1.00 30.59 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.070 -19.368 28.160 1.00 29.17 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.146 -19.543 29.204 1.00 32.27 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 7.490 -19.803 30.556 1.00 32.54 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.758 -18.578 31.090 1.00 31.47 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.709 -17.683 31.790 1.00 31.03 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.092 -17.224 25.890 1.00 29.49 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.893 -16.633 25.292 1.00 28.08 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.822 -16.626 23.769 1.00 28.38 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.835 -16.781 23.081 1.00 27.35 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.702 -15.209 25.819 1.00 28.44 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.446 -14.262 25.077 1.00 27.00 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.609 -16.433 23.253 1.00 28.34 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.393 -16.431 21.815 1.00 30.22 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.104 -15.279 21.091 1.00 28.46 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.289 -15.335 19.869 1.00 27.83 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.887 -16.442 21.497 1.00 32.80 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.161 -15.139 21.724 1.00 39.26 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.166 -15.383 22.431 1.00 43.94 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.319 -15.058 21.598 1.00 47.33 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.307 -15.906 21.343 1.00 50.11 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -2.275 -17.134 21.852 1.00 51.28 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.332 -15.525 20.591 1.00 51.04 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.512 -14.249 21.833 1.00 25.25 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.230 -13.139 21.217 1.00 23.17 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.668 -13.598 20.885 1.00 21.34 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.392 -12.905 20.171 1.00 19.88 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.214 -11.888 22.128 1.00 21.71 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.865 -11.136 22.154 1.00 23.76 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.803 -10.132 23.328 1.00 21.40 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.653 -10.420 20.812 1.00 22.54 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.075 -14.769 21.383 1.00 20.14 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.410 -15.312 21.076 1.00 20.99 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.346 -16.639 20.295 1.00 22.06 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.376 -17.180 19.880 1.00 22.97 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.222 -15.540 22.349 1.00 18.97 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.855 -14.035 23.169 1.00 20.26 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.137 -17.146 20.078 1.00 22.73 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.937 -18.417 19.382 1.00 23.09 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.665 -18.537 18.056 1.00 22.38 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.174 -19.596 17.702 1.00 23.46 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.445 -18.645 19.164 1.00 24.19 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.714 -17.437 17.325 1.00 23.83 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.339 -17.417 16.014 1.00 23.39 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.851 -17.135 15.999 1.00 23.25 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.486 -17.284 14.952 1.00 24.84 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.585 -16.406 15.139 1.00 24.01 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.578 -16.814 14.045 1.00 26.25 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.837 -18.116 14.344 1.00 24.47 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.606 -15.665 13.881 1.00 25.42 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.425 -16.735 17.139 1.00 21.15 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.866 -16.445 17.218 1.00 20.60 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.703 -17.730 17.180 1.00 21.28 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.274 -18.782 17.653 1.00 19.75 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.203 -15.654 18.479 1.00 20.15 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.476 -13.983 18.603 1.00 19.66 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.921 -17.623 16.660 1.00 21.26 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.769 -18.785 16.460 1.00 18.94 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.025 -18.986 17.288 1.00 21.06 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.589 -20.086 17.296 1.00 24.29 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.128 -18.850 14.989 1.00 17.94 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.480 -17.947 17.971 1.00 20.46 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.694 -18.091 18.747 1.00 20.10 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.896 -18.025 17.815 1.00 21.64 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.773 -17.603 16.664 1.00 20.18 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.058 -18.456 18.302 1.00 23.19 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.294 -18.429 17.513 1.00 24.03 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.559 -19.731 16.723 1.00 25.78 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.647 -20.555 16.592 1.00 25.77 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.478 -18.116 18.434 1.00 22.31 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.807 -19.250 19.404 1.00 23.35 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.103 -20.282 19.417 1.00 21.26 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.792 -19.093 20.162 1.00 23.04 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.783 -19.892 16.193 0.50 27.68 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.206 -21.071 15.419 0.50 29.57 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.752 -22.384 16.080 0.50 30.90 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.492 -23.366 15.389 0.50 29.84 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.758 -21.306 15.358 0.50 30.98 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.634 -20.221 14.675 0.50 33.35 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.481 -19.890 13.504 0.50 34.61 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.556 -19.751 15.383 0.50 33.37 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.742 -22.381 17.419 1.00 32.84 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.406 -23.525 18.261 1.00 33.36 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.021 -23.596 18.869 1.00 32.30 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.727 -24.542 19.587 1.00 33.38 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.353 -23.631 19.479 1.00 36.85 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.892 -23.702 19.412 1.00 43.01 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.484 -24.735 20.391 1.00 48.06 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 24.936 -25.829 20.523 1.00 50.10 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.587 -24.385 21.088 1.00 49.46 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.198 -22.589 18.640 1.00 31.21 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.891 -22.603 19.261 1.00 29.89 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.922 -21.971 20.653 1.00 29.78 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.889 -21.859 21.317 1.00 31.07 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.105 -21.568 21.113 1.00 27.92 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.215 -20.934 22.424 1.00 27.44 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.846 -19.458 22.254 1.00 27.99 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.843 -18.935 21.134 1.00 26.88 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.647 -21.035 22.985 1.00 26.37 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.375 -22.367 23.238 1.00 26.16 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.659 -22.104 24.015 1.00 24.73 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.504 -23.316 24.029 1.00 25.69 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.510 -18.799 23.360 1.00 27.44 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.177 -17.375 23.352 1.00 28.08 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.920 -16.950 22.604 1.00 28.13 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.842 -15.823 22.102 1.00 29.55 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.360 -16.574 22.811 1.00 30.94 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.427 -16.330 23.858 1.00 33.60 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.164 -16.596 25.045 1.00 36.92 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.526 -15.857 23.504 1.00 36.80 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.932 -17.835 22.548 1.00 26.49 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.685 -17.545 21.861 1.00 24.35 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.014 -16.288 22.388 1.00 23.34 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.759 -16.160 23.584 1.00 23.19 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.721 -18.729 21.981 1.00 25.29 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.382 -18.503 21.294 1.00 29.33 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.632 -19.810 21.058 1.00 31.79 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 13.454 -20.753 20.173 1.00 33.46 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 12.710 -21.954 19.694 1.00 35.15 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.743 -15.363 21.475 1.00 22.39 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.077 -14.106 21.784 1.00 20.97 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.895 -13.047 22.524 1.00 20.47 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.324 -12.055 22.982 1.00 20.05 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.785 -14.381 22.561 1.00 20.95 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.361 -13.420 21.956 1.00 19.47 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.209 -13.232 22.657 1.00 19.80 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 17.011 -12.208 23.340 1.00 20.34 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 17.029 -10.969 22.467 1.00 20.12 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.138 -11.060 21.244 1.00 21.35 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.509 -12.612 23.599 1.00 21.48 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.591 -13.674 24.676 1.00 20.32 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.174 -13.094 22.308 1.00 23.25 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.905 -9.785 23.082 1.00 20.48 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.922 -8.573 22.267 1.00 18.35 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.330 -8.100 21.931 1.00 19.65 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.774 -7.034 22.363 1.00 20.59 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.123 -7.579 23.103 1.00 18.65 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.437 -7.996 24.519 1.00 15.89 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.592 -9.495 24.495 1.00 17.08 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.053 -8.949 21.215 1.00 19.48 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.374 -8.606 20.713 1.00 19.82 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.561 -9.454 19.459 1.00 21.65 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.775 -10.379 19.200 1.00 22.13 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.506 -8.766 21.764 1.00 17.51 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.821 -10.196 22.122 1.00 18.51 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.000 -11.048 21.252 1.00 19.60 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.937 -10.463 23.423 1.00 14.89 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.570 -9.133 18.662 1.00 22.46 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.753 -9.831 17.400 1.00 22.74 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.056 -11.330 17.412 1.00 23.95 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.212 -11.924 16.345 1.00 25.12 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.792 -9.090 16.549 1.00 21.21 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.107 -9.359 17.002 1.00 20.97 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.146 -11.947 18.586 1.00 24.40 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.385 -13.387 18.634 1.00 25.92 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.107 -14.070 18.167 1.00 24.09 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.139 -15.190 17.656 1.00 24.86 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.689 -13.864 20.049 1.00 27.36 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.993 -13.389 20.613 1.00 30.90 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.407 -14.352 21.701 1.00 35.13 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.758 -15.704 21.080 1.00 34.82 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.501 -16.839 22.006 1.00 33.94 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.980 -13.396 18.392 1.00 22.63 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.667 -13.886 17.973 1.00 21.20 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.608 -13.594 16.472 1.00 21.80 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.803 -12.461 16.029 1.00 21.66 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.549 -13.141 18.727 1.00 19.79 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.154 -13.186 18.094 1.00 19.61 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.625 -14.593 17.833 1.00 21.60 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.393 -15.353 18.801 1.00 23.08 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.435 -14.941 16.650 1.00 19.61 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.363 -14.642 15.703 1.00 21.22 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.292 -14.591 14.250 1.00 20.60 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.398 -13.485 13.685 1.00 20.31 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.808 -12.742 12.787 1.00 20.67 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.817 -15.960 13.767 1.00 22.40 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 18.001 -16.249 12.305 1.00 26.16 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.375 -17.589 11.986 1.00 29.01 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.733 -18.038 10.586 1.00 31.87 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.149 -19.383 10.248 1.00 35.89 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.191 -13.365 14.231 1.00 18.89 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.219 -12.385 13.758 1.00 16.72 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.107 -11.064 14.547 1.00 17.18 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.031 -10.458 14.625 1.00 17.02 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.850 -13.077 13.646 1.00 16.14 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.846 -14.325 12.763 1.00 16.89 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.424 -14.317 11.491 1.00 19.56 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.227 -15.505 13.188 1.00 18.55 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.381 -15.454 10.664 1.00 21.33 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.180 -16.642 12.378 1.00 18.29 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.755 -16.618 11.121 1.00 20.85 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.717 -17.764 10.345 1.00 19.35 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.230 -10.615 15.103 1.00 17.41 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.297 -9.370 15.880 1.00 17.83 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.655 -8.163 15.004 1.00 18.35 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.472 -8.277 14.084 1.00 20.15 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.366 -9.486 16.975 1.00 18.04 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.708 -8.165 17.651 1.00 19.84 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.916 -7.659 18.684 1.00 20.17 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.792 -7.395 17.221 1.00 20.04 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.190 -6.419 19.270 1.00 20.11 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 19.074 -6.152 17.807 1.00 20.69 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.263 -5.676 18.827 1.00 20.42 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.516 -4.454 19.404 1.00 24.58 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.045 -7.016 15.291 1.00 17.77 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.355 -5.799 14.554 1.00 18.18 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.723 -5.610 13.193 1.00 17.75 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.976 -6.469 12.722 1.00 19.47 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.025 -4.476 12.567 1.00 15.70 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.489 -4.172 11.253 1.00 16.11 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.725 -5.353 10.299 1.00 18.10 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.805 -5.799 9.618 1.00 18.04 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.135 -2.893 10.665 1.00 13.80 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.827 -1.566 11.363 1.00 11.20 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.517 -1.116 11.532 1.00 11.78 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.858 -0.758 11.850 1.00 10.09 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.245 0.104 12.175 1.00 10.95 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.591 0.458 12.489 1.00 12.12 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.286 0.878 12.654 1.00 11.67 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.028 2.041 13.347 1.00 12.50 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.951 -5.869 10.278 1.00 20.55 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.325 -6.978 9.388 1.00 23.01 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.732 -8.346 9.745 1.00 22.87 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.312 -9.096 8.859 1.00 22.50 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.877 -7.131 9.304 1.00 26.22 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.457 -5.931 8.779 1.00 28.14 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.251 -8.284 8.376 1.00 30.55 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.723 -8.671 11.038 1.00 23.05 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.180 -9.940 11.495 1.00 20.34 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.683 -10.018 11.266 1.00 20.32 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.158 -11.052 10.841 1.00 21.18 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.988 -8.918 11.538 1.00 18.96 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.541 -8.874 11.360 1.00 17.10 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.161 -9.016 9.897 1.00 18.13 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.191 -9.689 9.577 1.00 22.81 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.974 -7.584 11.919 1.00 13.44 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.908 -8.394 8.997 1.00 16.84 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.577 -8.512 7.586 1.00 16.87 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.897 -9.929 7.082 1.00 18.40 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.191 -10.464 6.222 1.00 17.85 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.336 -7.443 6.796 1.00 17.35 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.126 -7.507 5.314 1.00 17.87 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.879 -7.260 4.743 1.00 18.95 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.200 -7.771 4.482 1.00 18.63 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.711 -7.285 3.357 1.00 19.35 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 14.046 -7.800 3.095 1.00 20.94 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.801 -7.550 2.531 1.00 20.51 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.948 -10.537 7.634 1.00 18.80 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.338 -11.893 7.253 1.00 17.76 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.240 -12.863 7.690 1.00 18.39 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.943 -13.849 7.009 1.00 17.29 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.657 -12.284 7.926 1.00 18.11 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.076 -13.697 7.600 1.00 18.32 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.327 -14.125 8.333 1.00 19.22 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.747 -15.443 7.864 1.00 24.35 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.901 -16.027 8.174 1.00 25.33 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.762 -15.413 8.973 1.00 25.46 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.208 -17.213 7.659 1.00 24.19 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.642 -12.554 8.834 1.00 19.22 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.570 -13.350 9.418 1.00 19.49 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.403 -13.415 8.441 1.00 19.36 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.719 -14.436 8.308 1.00 19.85 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.165 -12.691 10.728 1.00 19.19 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.628 -13.209 11.544 1.00 18.08 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.197 -12.304 7.748 1.00 20.05 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.150 -12.189 6.747 1.00 20.23 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.637 -12.831 5.447 1.00 21.57 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.936 -13.632 4.839 1.00 21.97 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.840 -10.718 6.476 1.00 19.46 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.945 -10.472 5.254 1.00 21.17 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.486 -10.644 5.648 1.00 19.94 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 8.193 -9.077 4.693 1.00 17.58 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.846 -12.481 5.026 1.00 22.95 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.393 -13.012 3.784 1.00 24.83 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.426 -14.536 3.710 1.00 26.29 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.303 -15.102 2.623 1.00 27.42 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.785 -12.438 3.536 1.00 23.50 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.586 -15.199 4.852 1.00 27.12 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.616 -16.661 4.882 1.00 27.07 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.231 -17.247 5.113 1.00 27.62 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 10.067 -18.463 5.209 1.00 28.02 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.548 -17.146 5.976 1.00 26.93 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.963 -16.710 5.776 1.00 29.57 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.877 -17.300 6.816 1.00 32.25 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.397 -17.578 7.936 1.00 32.61 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.076 -17.475 6.524 1.00 34.65 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.244 -16.362 5.214 1.00 27.45 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.847 -16.732 5.417 1.00 28.36 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.479 -17.306 6.770 1.00 28.00 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.464 -17.993 6.912 1.00 27.72 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.381 -17.668 4.306 1.00 28.88 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.297 -16.961 2.969 1.00 31.81 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.601 -15.920 2.890 1.00 33.63 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.927 -17.440 2.003 1.00 33.04 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.310 -17.012 7.762 1.00 26.71 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.058 -17.446 9.120 1.00 25.78 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.842 -16.626 9.560 1.00 25.50 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.907 -17.152 10.166 1.00 26.94 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.276 -17.144 10.022 1.00 25.95 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.882 -17.214 11.498 1.00 24.90 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.393 -18.136 9.714 1.00 23.21 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.849 -15.336 9.228 1.00 23.93 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.737 -14.470 9.592 1.00 22.62 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.050 -13.888 8.369 1.00 22.34 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.582 -13.980 7.256 1.00 23.48 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.874 -13.291 8.567 1.00 21.78 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.101 -12.696 7.475 1.00 21.07 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.370 -11.205 7.317 1.00 19.93 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.182 -10.637 6.240 1.00 20.55 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.598 -12.884 7.713 1.00 22.15 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.192 -14.340 7.813 1.00 24.11 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.371 -15.083 6.821 1.00 25.11 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.689 -14.732 8.884 1.00 23.29 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.795 -10.569 8.398 1.00 20.20 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.061 -9.143 8.365 1.00 18.78 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.295 -8.805 9.209 1.00 19.08 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.624 -9.507 10.173 1.00 19.89 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.784 -8.357 8.819 1.00 18.76 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.375 -8.764 10.223 1.00 19.28 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.020 -6.866 8.721 1.00 19.53 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 5.997 -7.753 8.802 1.00 17.59 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.203 -7.312 9.483 1.00 17.63 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.156 -5.799 9.618 1.00 17.66 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.906 -5.079 8.647 1.00 18.03 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.434 -7.729 8.686 1.00 18.05 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.395 -5.327 10.832 1.00 15.74 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.377 -3.912 11.125 1.00 13.87 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.818 -3.438 11.200 1.00 15.26 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.540 -3.699 12.170 1.00 13.75 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.619 -3.715 12.430 1.00 13.08 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.208 -4.237 12.380 1.00 12.36 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.209 -3.516 11.719 1.00 10.79 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.879 -5.458 12.960 1.00 12.03 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.912 -3.991 11.647 1.00 7.92 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.576 -5.946 12.893 1.00 12.68 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.589 -5.209 12.230 1.00 12.13 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.227 -2.751 10.138 1.00 15.11 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.583 -2.245 10.005 1.00 15.07 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.517 -0.810 9.481 1.00 16.34 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.488 -0.152 9.622 1.00 18.33 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.381 -3.178 9.041 1.00 14.39 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.333 -4.609 9.567 1.00 14.73 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.775 -3.151 7.633 1.00 13.08 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.608 -0.298 8.925 1.00 17.54 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.578 1.045 8.366 1.00 18.82 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.647 0.884 6.848 1.00 20.67 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.820 -0.234 6.341 1.00 21.00 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.741 1.894 8.886 1.00 20.79 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.106 1.231 8.823 1.00 22.31 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.224 2.231 9.053 1.00 21.82 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.539 1.496 9.161 1.00 23.91 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.677 2.403 9.462 1.00 24.13 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.492 1.979 6.116 1.00 21.14 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.527 1.890 4.663 1.00 21.20 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.856 1.425 4.115 1.00 22.39 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.899 0.570 3.238 1.00 24.46 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.183 3.224 4.047 1.00 20.60 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.496 3.272 2.590 1.00 22.75 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.057 2.480 1.751 1.00 22.93 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.240 4.210 2.285 1.00 22.23 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.938 1.981 4.641 1.00 22.61 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.275 1.640 4.192 1.00 22.17 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.613 0.146 4.172 1.00 23.15 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.297 -0.322 3.260 1.00 22.94 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.303 2.390 5.041 1.00 23.11 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.996 3.877 5.149 1.00 26.79 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 15.157 4.260 5.994 1.00 28.55 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.584 4.667 4.379 1.00 28.31 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.128 -0.594 5.165 1.00 21.69 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.404 -2.025 5.295 1.00 22.18 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 15.011 -2.865 4.086 1.00 23.72 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.709 -3.815 3.731 1.00 22.54 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.708 -2.608 6.580 1.00 22.58 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 15.116 -1.852 7.727 1.00 23.40 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.090 -4.075 6.809 1.00 16.24 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.896 -2.514 3.457 1.00 25.10 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.422 -3.244 2.288 1.00 26.76 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.350 -2.990 1.097 1.00 26.86 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.756 -3.928 0.415 1.00 26.40 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.950 -2.844 1.955 1.00 26.27 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.435 -3.641 0.772 1.00 26.92 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 11.063 -3.103 3.174 1.00 25.68 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.702 -1.728 0.868 1.00 28.26 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.590 -1.373 -0.234 1.00 28.80 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.989 -1.935 -0.064 1.00 29.68 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.619 -2.349 -1.033 1.00 32.86 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.692 0.144 -0.378 1.00 31.00 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.422 0.770 -0.816 1.00 31.84 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.322 1.008 -0.053 1.00 32.40 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.084 1.162 -2.147 1.00 33.95 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.313 1.519 -0.826 1.00 32.05 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.752 1.626 -2.118 1.00 34.05 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.774 1.164 -3.369 1.00 35.11 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.094 2.087 -3.264 1.00 34.84 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.121 1.620 -4.508 1.00 34.24 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.792 2.076 -4.446 1.00 34.67 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.480 -1.955 1.167 1.00 30.35 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.821 -2.458 1.429 1.00 30.87 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.967 -3.970 1.366 1.00 30.49 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.072 -4.473 1.203 1.00 30.19 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.306 -1.955 2.787 1.00 31.80 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.682 -0.487 2.801 1.00 35.10 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.776 0.093 4.207 1.00 38.01 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.844 -0.688 5.186 1.00 37.03 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.790 1.338 4.327 1.00 39.20 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.861 -4.697 1.470 1.00 30.78 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.940 -6.151 1.449 1.00 30.82 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.296 -6.855 0.270 1.00 30.79 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.989 -8.044 0.336 1.00 30.19 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.395 -6.690 2.763 1.00 30.19 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.271 -6.305 3.923 1.00 29.57 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.357 -6.859 4.101 1.00 29.91 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.827 -5.329 4.701 1.00 28.25 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.135 -6.120 -0.825 1.00 31.54 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.533 -6.662 -2.037 1.00 31.09 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.304 -6.248 -3.295 1.00 31.26 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.179 -5.380 -3.246 1.00 29.61 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.100 -6.169 -2.186 1.00 30.65 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 15.108 -4.736 -2.204 1.00 31.57 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.235 -6.666 -1.034 1.00 28.72 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.957 -6.879 -4.418 1.00 32.14 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.566 -6.611 -5.725 1.00 32.70 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.096 -6.621 -5.749 1.00 33.99 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.692 -5.799 -6.440 1.00 33.56 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.093 -5.254 -6.273 1.00 33.37 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.600 -5.219 -6.591 1.00 35.41 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.795 -5.890 -5.948 1.00 35.52 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.226 -4.405 -7.575 1.00 37.03 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.730 -7.520 -4.996 1.00 34.56 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.186 -7.589 -5.004 1.00 35.04 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.989 -6.725 -4.040 1.00 36.27 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.216 -6.848 -3.968 1.00 34.58 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.314 -5.856 -3.295 1.00 38.22 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.991 -4.976 -2.341 1.00 39.42 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.603 -5.699 -1.140 1.00 39.79 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.463 -5.140 -0.467 1.00 40.79 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 21.015 -3.924 -1.808 1.00 39.25 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.447 -2.968 -2.838 1.00 40.18 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.382 -1.818 -3.140 1.00 42.87 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 21.989 -1.286 -2.188 1.00 43.79 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.500 -1.433 -4.322 1.00 43.88 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.189 -6.934 -0.868 1.00 41.26 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.717 -7.628 0.309 1.00 44.58 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.753 -8.753 0.175 1.00 46.56 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 24.729 -8.780 0.923 1.00 48.68 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.556 -8.141 1.169 1.00 43.66 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.037 -8.953 2.231 1.00 42.41 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.549 -9.675 -0.755 1.00 46.30 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.449 -10.824 -0.940 1.00 47.81 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.403 -11.834 0.218 1.00 46.73 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 25.004 -12.904 0.125 1.00 47.78 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.950 -10.427 -1.180 1.00 48.97 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.551 -10.000 0.048 1.00 49.77 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.065 -9.332 -2.235 1.00 49.68 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.717 -11.505 1.311 1.00 45.83 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.596 -12.466 2.411 1.00 44.43 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.729 -13.572 1.793 1.00 44.15 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.736 -13.284 1.123 1.00 44.51 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.884 -11.841 3.601 1.00 44.01 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 23.104 -14.827 2.006 1.00 43.42 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.386 -15.970 1.444 1.00 42.95 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.854 -15.912 1.402 1.00 41.66 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.256 -16.267 0.380 1.00 41.45 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.831 -17.236 2.169 1.00 45.10 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.248 -16.959 3.592 1.00 49.30 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 24.450 -16.700 3.822 1.00 50.95 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 22.364 -16.975 4.475 1.00 50.24 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.216 -15.478 2.491 1.00 38.60 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.752 -15.407 2.529 1.00 35.59 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.172 -14.226 1.744 1.00 35.08 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.987 -14.229 1.421 1.00 34.86 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.239 -15.323 3.975 1.00 34.10 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.672 -14.076 4.711 1.00 31.63 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.815 -13.909 5.440 1.00 31.71 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.998 -12.811 4.726 1.00 29.95 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.896 -12.617 5.903 1.00 30.78 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.796 -11.920 5.484 1.00 29.51 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.801 -12.339 4.177 1.00 29.79 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.434 -10.585 5.701 1.00 30.13 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.439 -11.013 4.389 1.00 30.17 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.255 -10.150 5.149 1.00 31.10 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 19.001 -13.228 1.431 1.00 33.32 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.545 -12.030 0.720 1.00 33.49 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.923 -11.935 -0.765 1.00 34.08 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.335 -11.150 -1.508 1.00 33.00 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 19.027 -10.782 1.467 1.00 32.28 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.910 -12.732 -1.171 1.00 35.43 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.404 -12.826 -2.557 1.00 35.81 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.353 -12.631 -3.646 1.00 35.58 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.460 -11.756 -4.512 1.00 36.22 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 20.975 -14.220 -2.810 1.00 36.76 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 22.434 -14.423 -2.566 1.00 38.30 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.887 -15.729 -3.227 1.00 41.19 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.406 -16.980 -2.493 1.00 41.67 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.171 -18.182 -2.941 1.00 42.58 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.367 -13.520 -3.609 1.00 34.32 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.294 -13.569 -4.583 1.00 35.73 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.029 -12.784 -4.292 1.00 36.12 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.027 -12.964 -4.977 1.00 37.76 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.929 -15.032 -4.834 1.00 37.37 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.943 -15.738 -5.710 1.00 38.74 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.100 -15.399 -6.887 1.00 38.47 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.638 -16.723 -5.145 1.00 39.63 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.059 -11.913 -3.291 1.00 36.39 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.875 -11.130 -2.962 1.00 36.00 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.666 -9.942 -3.898 1.00 35.79 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.544 -9.105 -4.077 1.00 34.77 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.943 -10.656 -1.511 1.00 36.09 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.881 -11.762 -0.454 1.00 36.78 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.848 -11.119 0.923 1.00 37.49 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.641 -12.631 -0.663 1.00 35.98 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.475 -9.888 -4.483 1.00 37.21 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.081 -8.847 -5.430 1.00 37.65 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.052 -7.930 -4.747 1.00 37.25 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.120 -8.418 -4.112 1.00 36.18 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.456 -9.528 -6.663 1.00 39.17 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.510 -8.747 -7.967 1.00 41.69 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.616 -7.526 -7.939 1.00 43.29 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.342 -6.319 -8.512 1.00 45.23 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.556 -5.064 -8.351 1.00 45.07 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.220 -6.614 -4.878 1.00 37.12 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.302 -5.638 -4.273 1.00 37.27 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.864 -5.796 -4.738 1.00 37.37 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.919 -5.600 -3.966 1.00 36.12 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.735 -4.211 -4.606 1.00 37.94 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.066 -3.852 -4.049 1.00 39.73 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.636 -2.595 -4.657 1.00 40.62 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.926 -2.347 -4.028 1.00 43.23 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 16.004 -1.887 -4.649 1.00 44.47 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.968 -1.603 -5.946 1.00 45.34 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.130 -1.738 -3.966 1.00 44.22 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.690 -6.124 -6.012 1.00 37.56 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.349 -6.269 -6.528 1.00 36.69 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.589 -7.419 -5.885 1.00 35.37 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.392 -7.568 -6.116 1.00 36.53 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.375 -6.395 -8.050 1.00 38.18 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.676 -5.217 -8.733 1.00 42.47 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.196 -5.121 -8.355 1.00 44.37 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.468 -6.120 -8.566 1.00 43.85 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.763 -4.055 -7.852 1.00 44.24 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.267 -8.229 -5.075 1.00 32.40 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.580 -9.323 -4.398 1.00 31.27 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.132 -8.879 -3.018 1.00 29.59 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.694 -9.695 -2.218 1.00 29.05 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.472 -10.553 -4.262 1.00 31.35 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.747 -11.216 -5.591 1.00 32.43 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.928 -11.061 -6.526 1.00 30.80 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.777 -11.907 -5.693 1.00 33.31 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.236 -7.581 -2.748 1.00 27.97 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.839 -7.034 -1.459 1.00 26.52 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.835 -5.893 -1.603 1.00 26.12 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.787 -5.209 -2.626 1.00 26.28 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 8.082 -6.565 -0.700 1.00 25.37 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 9.064 -7.672 -0.413 1.00 26.25 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.928 -8.478 0.721 1.00 25.85 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.083 -7.959 -1.318 1.00 25.96 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.796 -9.553 0.941 1.00 25.18 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.950 -9.029 -1.108 1.00 27.24 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.805 -9.829 0.021 1.00 26.78 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 5.013 -5.722 -0.572 1.00 25.85 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.997 -4.672 -0.524 1.00 25.33 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.901 -4.090 0.885 1.00 23.90 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.049 -4.806 1.879 1.00 22.12 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.624 -5.221 -0.914 1.00 26.21 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.476 -5.613 -2.374 1.00 28.62 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.279 -4.397 -3.274 1.00 32.69 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 1.991 -4.792 -4.649 1.00 36.34 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 2.905 -4.934 -5.603 1.00 37.48 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.184 -4.703 -5.341 1.00 38.38 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.538 -5.320 -6.819 1.00 39.04 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.648 -2.786 0.953 1.00 22.62 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.507 -2.074 2.216 1.00 21.08 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.018 -1.931 2.521 1.00 22.83 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.205 -1.738 1.611 1.00 22.89 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 4.109 -0.675 2.104 1.00 21.51 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.508 -0.550 1.503 1.00 21.96 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.777 0.907 1.174 1.00 22.65 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.548 -1.105 2.470 1.00 22.13 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.657 -2.028 3.796 1.00 23.43 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.268 -1.867 4.194 1.00 23.15 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.102 -0.424 4.632 1.00 22.80 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.851 0.054 5.477 1.00 22.07 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.083 -2.788 5.361 1.00 23.04 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.139 -4.283 5.136 1.00 26.01 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.362 -5.050 6.354 1.00 24.78 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.592 -4.734 3.868 1.00 26.10 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.866 0.266 4.034 1.00 23.87 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.146 1.653 4.376 1.00 24.82 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.285 1.609 5.372 1.00 25.38 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.016 0.616 5.438 1.00 24.31 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.577 2.447 3.143 1.00 23.83 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.711 1.930 1.641 1.00 26.33 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.432 2.679 6.147 1.00 28.08 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.484 2.752 7.152 1.00 29.44 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.908 2.827 6.581 1.00 30.52 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.869 2.515 7.288 1.00 31.62 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.200 3.935 8.095 1.00 30.43 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -1.983 3.913 9.034 1.00 28.91 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -2.019 5.128 9.936 1.00 28.46 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -1.999 2.652 9.883 1.00 29.85 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.052 3.220 5.314 1.00 30.73 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.388 3.301 4.722 1.00 30.94 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.943 1.960 4.214 1.00 31.51 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.954 1.929 3.511 1.00 32.71 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.440 4.373 3.608 1.00 30.98 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.592 4.034 2.381 1.00 32.20 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.904 2.993 2.349 1.00 32.66 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.619 4.837 1.423 1.00 32.54 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.293 0.859 4.587 1.00 30.27 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.747 -0.459 4.173 1.00 29.84 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.208 -0.919 2.833 1.00 29.60 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.441 -2.046 2.406 1.00 30.31 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.470 -0.029 2.188 1.00 28.55 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.866 -0.243 0.877 1.00 29.69 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.482 -0.953 0.942 1.00 29.97 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.938 -1.169 2.033 1.00 29.87 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.785 1.165 0.170 1.00 30.12 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -5.761 1.234 -0.877 1.00 30.23 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -3.404 1.462 -0.368 1.00 29.20 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.944 -1.335 -0.223 1.00 29.79 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.627 -1.995 -0.361 1.00 30.46 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.855 -1.283 -1.466 1.00 31.81 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.394 -1.045 -2.546 1.00 32.61 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.761 -3.458 -0.788 1.00 29.34 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.231 -4.414 0.276 1.00 30.22 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.849 -5.651 -0.361 1.00 28.78 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.888 -6.478 -1.093 1.00 28.21 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.366 -7.614 -0.633 1.00 27.79 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.704 -8.068 0.565 1.00 25.95 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.524 -8.311 -1.384 1.00 25.23 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.413 -0.973 -1.230 1.00 32.74 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.180 -0.273 -2.252 1.00 32.84 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.575 -0.816 -2.493 1.00 32.29 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.125 -1.536 -1.658 1.00 32.23 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.266 1.210 -1.900 1.00 33.55 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.074 2.020 -2.376 1.00 36.08 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -0.037 3.336 -1.639 1.00 38.34 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.036 4.268 -2.300 1.00 37.65 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.424 3.754 -2.202 1.00 38.94 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.151 -0.513 -3.668 1.00 31.49 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.503 -1.004 -3.936 1.00 31.34 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.411 -0.303 -2.927 1.00 30.79 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.033 0.725 -2.347 1.00 30.56 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.762 -0.547 -5.366 1.00 31.25 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.409 -0.596 -5.980 1.00 30.47 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.518 -0.010 -4.902 1.00 31.12 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.613 -0.828 -2.737 1.00 30.78 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.518 -0.253 -1.762 1.00 31.51 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.133 1.067 -2.216 1.00 31.45 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.799 1.755 -1.446 1.00 32.42 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.572 -1.329 -1.321 1.00 32.13 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.830 -2.640 -1.021 1.00 30.30 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.638 -1.551 -2.379 1.00 32.41 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.861 1.433 -3.463 1.00 31.66 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.329 2.696 -4.020 1.00 30.60 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.454 3.837 -3.484 1.00 30.36 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.809 5.004 -3.617 1.00 31.39 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.177 2.714 -5.535 1.00 30.05 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.912 2.139 -5.876 1.00 31.88 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.290 1.943 -6.204 1.00 30.24 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.309 3.506 -2.889 1.00 31.05 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.383 4.525 -2.384 1.00 31.82 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.319 4.735 -0.875 1.00 31.01 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.261 5.086 -0.352 1.00 31.82 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.964 4.228 -2.870 1.00 34.99 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.446 5.184 -3.911 1.00 41.79 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.156 5.022 -5.228 1.00 46.94 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 5.374 5.293 -5.288 1.00 50.76 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 3.498 4.613 -6.205 1.00 51.69 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.433 4.558 -0.177 1.00 29.00 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.437 4.716 1.272 1.00 29.25 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.086 6.114 1.798 1.00 28.86 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.602 6.254 2.923 1.00 26.58 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.786 4.275 1.828 1.00 30.38 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.321 7.142 0.988 1.00 30.23 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.035 8.518 1.392 1.00 31.29 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.525 8.720 1.594 1.00 30.18 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.102 9.607 2.336 1.00 29.84 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.596 9.489 0.337 1.00 33.75 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.921 10.905 0.846 1.00 39.54 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.799 10.923 2.100 1.00 44.63 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 7.522 11.648 3.031 1.00 46.56 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.874 10.141 2.106 1.00 45.94 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.715 7.883 0.950 1.00 28.02 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.262 7.974 1.082 1.00 28.00 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.655 6.729 1.732 1.00 27.43 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.436 6.629 1.884 1.00 26.72 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.620 8.192 -0.289 1.00 28.71 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.003 7.166 -1.187 1.00 31.80 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.504 5.785 2.125 1.00 26.98 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.033 4.549 2.744 1.00 26.19 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.938 4.088 3.905 1.00 25.80 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.568 3.031 3.837 1.00 27.71 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.938 3.464 1.668 1.00 24.48 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.247 1.862 2.189 1.00 26.71 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.996 4.893 4.964 1.00 23.95 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.803 4.589 6.149 1.00 21.98 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.961 4.698 7.438 1.00 21.83 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.921 5.360 7.443 1.00 22.04 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 5.004 5.546 6.220 1.00 20.42 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.641 7.006 6.163 1.00 22.42 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.694 7.746 4.997 1.00 22.88 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.267 7.872 7.134 1.00 20.51 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.374 9.001 5.257 1.00 21.19 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.112 9.104 6.544 1.00 21.27 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.382 4.043 8.520 1.00 21.73 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.632 4.127 9.780 1.00 21.94 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 3.006 5.413 10.534 1.00 21.55 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.204 5.965 11.287 1.00 22.63 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.913 2.912 10.682 1.00 21.96 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.918 1.475 10.137 1.00 23.54 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 3.143 0.500 11.291 1.00 22.35 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.612 1.169 9.430 1.00 23.18 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.230 5.886 10.333 1.00 20.18 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.688 7.102 10.995 1.00 20.15 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.091 7.490 10.556 1.00 20.80 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.807 6.681 9.950 1.00 18.54 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.680 6.914 12.509 1.00 20.56 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.464 8.746 10.813 1.00 20.92 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.822 9.172 10.519 1.00 22.43 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.424 9.147 11.935 1.00 23.30 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.797 9.589 12.900 1.00 23.51 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.917 10.574 9.751 1.00 23.24 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.684 11.426 9.972 1.00 25.36 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.182 11.309 10.163 1.00 22.05 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.608 8.549 12.045 1.00 24.36 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.294 8.343 13.314 1.00 23.04 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.619 9.080 13.502 1.00 22.71 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.394 9.220 12.559 1.00 23.98 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.521 6.832 13.496 1.00 22.79 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.906 9.539 14.734 1.00 21.18 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.177 10.238 14.926 1.00 19.49 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.354 9.283 14.755 1.00 20.20 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.274 8.099 15.094 1.00 18.39 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 13.060 10.799 16.340 1.00 18.93 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 12.191 9.812 17.032 1.00 21.68 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.150 9.438 15.996 1.00 20.55 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.446 9.804 14.212 1.00 20.06 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.622 8.985 13.998 1.00 20.39 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.198 8.422 15.284 1.00 20.32 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.978 8.954 16.383 1.00 20.67 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.743 9.777 13.317 1.00 21.80 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.415 10.177 11.895 1.00 24.28 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.504 9.640 11.282 1.00 27.89 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 18.184 11.116 11.355 1.00 25.94 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.935 7.329 15.129 1.00 19.07 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.617 6.738 16.255 1.00 18.00 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.690 7.784 16.612 1.00 17.30 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.226 8.483 15.737 1.00 17.39 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.293 5.416 15.863 1.00 16.26 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.358 4.258 15.677 1.00 15.59 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.808 2.953 15.594 1.00 17.36 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 17.016 4.198 15.532 1.00 15.73 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.779 2.144 15.410 1.00 17.02 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.681 2.876 15.368 1.00 14.92 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.971 7.904 17.902 1.00 17.81 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.941 8.872 18.395 1.00 16.98 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.785 8.304 19.530 1.00 17.66 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.391 7.347 20.201 1.00 15.22 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.218 10.131 18.872 1.00 14.55 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.946 8.919 19.726 1.00 17.36 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.877 8.532 20.769 1.00 19.39 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.443 9.232 22.064 1.00 20.49 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.143 10.424 22.054 1.00 20.35 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.316 8.978 20.395 1.00 19.95 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.301 8.616 21.508 1.00 20.14 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.730 8.329 19.089 1.00 19.31 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.375 8.490 23.165 1.00 21.06 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 23.009 9.096 24.442 1.00 21.68 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.125 8.909 25.457 1.00 22.93 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.946 7.996 25.344 1.00 25.52 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.714 8.492 25.080 1.00 21.90 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.515 8.713 24.176 1.00 19.20 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.926 7.018 25.398 1.00 22.49 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.161 9.796 26.440 1.00 22.71 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.136 9.705 27.514 1.00 23.83 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.511 10.393 28.710 1.00 24.24 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.432 10.981 28.611 1.00 26.34 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.447 10.410 27.158 1.00 23.59 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.337 11.814 27.330 1.00 25.63 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.172 10.293 29.852 1.00 25.16 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.688 10.952 31.050 1.00 25.00 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.963 12.432 30.766 1.00 25.09 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.945 12.776 30.097 1.00 23.36 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.491 10.480 32.259 1.00 25.78 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.642 9.874 33.366 1.00 29.34 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.479 9.092 34.381 1.00 30.22 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.444 9.925 35.098 1.00 29.19 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.151 9.508 36.144 1.00 27.86 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 27.002 8.269 36.595 1.00 27.31 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.000 10.329 36.744 1.00 26.39 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.101 13.308 31.260 1.00 26.85 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.282 14.733 31.019 1.00 29.72 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.672 15.255 31.356 1.00 29.15 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.213 16.092 30.629 1.00 29.67 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.266 15.552 31.804 1.00 30.99 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.530 16.929 31.597 1.00 34.23 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.250 14.775 32.453 1.00 27.46 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.563 15.250 32.852 1.00 26.15 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.746 14.759 32.014 1.00 24.07 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.861 15.229 32.198 1.00 25.27 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.796 14.983 34.357 1.00 28.26 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.560 13.523 34.762 1.00 31.35 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.538 12.934 34.357 1.00 33.45 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.390 12.969 35.513 1.00 31.62 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.516 13.840 31.080 0.50 22.56 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.606 13.335 30.239 0.50 20.53 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.429 13.723 28.764 0.50 19.61 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.339 13.562 27.952 0.50 17.76 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.712 11.803 30.368 0.50 20.82 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.429 11.311 31.633 0.50 20.71 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.942 11.574 31.586 0.50 23.17 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.654 10.630 30.720 0.50 24.36 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.903 10.796 30.289 0.50 25.26 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.590 11.876 30.639 0.50 27.15 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.463 9.885 29.502 0.50 24.53 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.256 14.265 28.445 1.00 21.31 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.867 14.678 27.088 1.00 22.71 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.859 15.496 26.251 1.00 24.54 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 29.131 15.154 25.096 1.00 25.12 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.536 15.409 27.155 1.00 20.39 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.381 16.583 26.807 1.00 25.69 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.325 17.421 26.073 1.00 26.33 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.551 16.619 25.673 1.00 28.47 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.061 16.756 24.559 1.00 28.54 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.744 18.600 26.930 1.00 25.09 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 32.024 15.787 26.593 1.00 30.46 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.203 14.979 26.351 1.00 33.07 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.958 13.910 25.286 1.00 32.26 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.736 13.784 24.342 1.00 32.78 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.642 14.349 27.667 1.00 38.33 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.984 13.702 27.603 1.00 45.82 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.153 12.336 27.673 1.00 47.03 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.223 14.233 27.460 1.00 47.82 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 36.439 12.053 27.576 1.00 48.89 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.110 13.186 27.447 1.00 49.61 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.875 13.149 25.438 1.00 31.88 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.530 12.098 24.481 1.00 31.12 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.379 12.718 23.086 1.00 31.17 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.897 12.196 22.100 1.00 30.86 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.217 11.369 24.903 1.00 30.26 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.737 10.459 23.790 1.00 29.53 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.463 10.549 26.167 1.00 29.30 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.687 13.848 23.016 1.00 31.63 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.475 14.558 21.760 1.00 32.71 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.794 14.885 21.054 1.00 32.90 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.971 14.578 19.874 1.00 33.80 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.711 15.840 22.043 1.00 34.26 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.380 16.663 20.832 1.00 37.91 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.439 17.793 21.189 1.00 41.47 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.881 17.747 22.310 1.00 43.55 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.243 18.713 20.363 1.00 42.67 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.709 15.519 21.779 1.00 32.29 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.021 15.881 21.243 1.00 32.87 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.756 14.663 20.662 1.00 31.78 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.285 14.709 19.547 1.00 29.89 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.858 16.516 22.360 1.00 35.82 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.362 16.639 22.100 1.00 42.39 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.154 16.912 23.383 1.00 47.21 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.828 17.828 24.149 1.00 49.76 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 38.202 16.119 23.617 1.00 48.44 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.787 13.571 21.420 1.00 29.75 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.474 12.365 20.975 1.00 28.90 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.856 11.767 19.716 1.00 28.71 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.568 11.380 18.791 1.00 28.18 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.494 11.297 22.099 1.00 27.86 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.044 9.976 21.570 1.00 26.22 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.340 11.798 23.254 1.00 25.96 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.529 11.715 19.685 1.00 28.92 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.805 11.153 18.556 1.00 30.08 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.059 11.860 17.232 1.00 30.99 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.247 11.198 16.206 1.00 29.50 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.312 11.126 18.868 1.00 30.71 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.757 9.752 19.251 1.00 31.83 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.742 8.983 20.116 1.00 32.12 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.432 9.956 19.973 1.00 32.33 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.052 13.194 17.253 1.00 32.15 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.303 13.982 16.052 1.00 32.73 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.721 13.664 15.554 1.00 33.79 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.929 13.477 14.348 1.00 33.08 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.168 15.481 16.354 1.00 33.24 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.827 16.035 16.863 1.00 34.52 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.999 17.484 17.294 1.00 33.65 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.769 15.929 15.774 1.00 35.98 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.693 13.593 16.471 1.00 33.54 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 37.067 13.279 16.070 1.00 34.58 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.121 11.836 15.579 1.00 33.29 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.796 11.543 14.594 1.00 33.77 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 38.065 13.494 17.228 1.00 37.68 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.466 13.038 16.925 1.00 43.32 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.103 13.300 15.728 1.00 45.10 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.355 12.341 17.676 1.00 45.19 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.320 12.782 15.753 1.00 45.78 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.499 12.195 16.925 1.00 47.39 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.396 10.937 16.240 1.00 31.85 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.390 9.536 15.829 1.00 30.57 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.766 9.321 14.447 1.00 31.11 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.152 8.398 13.722 1.00 30.51 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.655 8.683 16.864 1.00 29.38 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.483 8.356 18.085 1.00 28.90 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.722 7.562 17.732 1.00 28.34 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.634 6.507 17.106 1.00 27.96 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.884 8.064 18.133 1.00 28.43 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.806 10.158 14.069 1.00 32.02 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.195 9.968 12.768 1.00 32.98 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 35.053 10.616 11.684 1.00 34.09 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 35.086 10.149 10.544 1.00 35.06 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.747 10.470 12.776 1.00 32.31 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.497 11.894 12.425 1.00 32.15 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 31.011 12.182 12.420 1.00 32.57 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.204 11.289 12.168 1.00 32.90 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.640 13.430 12.685 1.00 33.51 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.772 11.676 12.039 1.00 34.07 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.670 12.296 11.079 1.00 33.59 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.591 11.149 10.632 1.00 33.38 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 37.947 11.059 9.459 1.00 34.61 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.482 13.404 11.746 1.00 32.28 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.944 10.259 11.567 1.00 32.67 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.819 9.110 11.284 1.00 32.21 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.170 7.868 10.643 1.00 31.83 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.710 7.304 9.690 1.00 30.89 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.534 8.636 12.562 1.00 33.39 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.594 9.470 13.300 1.00 33.49 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.375 8.558 14.241 1.00 31.93 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.546 10.120 12.304 1.00 32.16 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.025 7.426 11.153 1.00 31.84 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.412 6.211 10.606 1.00 31.35 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.023 6.360 9.991 1.00 30.96 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.386 5.362 9.646 1.00 30.42 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.382 5.130 11.694 1.00 30.18 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.668 5.015 12.472 1.00 28.93 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.774 4.355 11.940 1.00 28.81 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.772 5.582 13.739 1.00 28.91 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.971 4.264 12.664 1.00 28.76 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.956 5.500 14.469 1.00 28.85 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.060 4.838 13.931 1.00 29.36 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.568 7.601 9.848 1.00 32.05 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.264 7.864 9.260 1.00 35.00 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.259 7.675 7.751 1.00 37.54 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.228 7.156 7.188 1.00 36.30 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.196 8.135 7.090 1.00 40.58 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.052 7.975 5.643 1.00 43.61 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.265 8.335 4.788 1.00 45.75 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.653 7.552 3.920 1.00 46.12 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.812 8.720 5.132 1.00 44.54 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.419 8.329 3.702 1.00 46.02 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.004 7.761 3.633 1.00 46.08 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.671 7.240 2.235 1.00 47.14 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.800 8.288 1.178 1.00 45.91 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.875 9.494 4.992 1.00 46.73 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.039 9.791 4.171 1.00 48.67 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.280 9.914 5.054 1.00 48.89 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.300 10.488 4.663 1.00 49.81 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.784 11.049 3.336 1.00 50.41 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.586 10.888 2.401 1.00 51.71 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 32.769 11.800 2.251 1.00 52.07 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.478 9.720 1.770 1.00 52.07 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.183 9.317 6.240 1.00 48.03 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.271 9.331 7.200 1.00 46.60 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.625 8.957 6.638 1.00 46.11 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.724 8.227 5.656 1.00 45.08 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.670 9.454 7.290 1.00 46.69 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.045 9.215 6.876 1.00 46.99 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.432 7.746 6.872 1.00 46.51 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.253 7.318 6.066 1.00 47.14 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 42.012 9.964 7.803 1.00 49.06 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.643 11.421 8.098 1.00 51.92 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.749 12.404 7.697 1.00 53.65 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 44.095 12.067 8.333 1.00 54.48 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 44.034 12.012 9.819 1.00 54.69 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.843 6.975 7.777 1.00 46.39 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.179 5.562 7.894 1.00 45.40 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.042 4.614 7.594 1.00 45.48 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.231 3.398 7.612 1.00 44.26 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.670 5.261 9.306 1.00 45.54 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.864 6.093 9.695 1.00 48.22 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.807 6.217 8.923 1.00 50.75 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.840 6.659 10.903 1.00 48.53 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.867 5.148 7.285 1.00 46.13 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.726 4.262 7.083 1.00 46.91 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.847 3.079 6.174 1.00 50.29 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.044 1.960 6.654 1.00 53.71 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.454 5.023 6.718 1.00 42.73 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.112 4.048 5.917 1.00 38.89 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.755 3.285 4.857 1.00 51.36 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.855 2.073 4.035 1.00 50.74 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.123 1.240 4.195 1.00 51.59 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.071 0.011 4.274 1.00 52.24 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.686 2.591 2.605 1.00 49.99 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.542 4.125 2.732 1.00 51.96 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 38.093 4.482 4.073 1.00 50.44 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.251 1.931 4.262 1.00 51.71 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.564 1.320 4.376 1.00 51.95 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.789 0.476 5.616 1.00 51.28 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.303 -0.643 5.537 1.00 50.97 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.606 2.429 4.324 1.00 52.59 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.164 3.580 3.442 1.00 53.76 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.082 3.380 2.212 1.00 52.78 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 41.874 4.675 3.981 1.00 51.70 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.407 1.018 6.764 1.00 50.17 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.605 0.311 8.015 1.00 49.02 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.336 -0.114 8.743 1.00 47.54 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.117 -1.305 8.971 1.00 48.71 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.470 1.153 8.952 1.00 49.88 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.809 1.568 8.358 1.00 52.10 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.834 1.855 9.448 1.00 54.47 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.657 0.608 9.774 1.00 56.29 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 45.975 0.487 11.232 1.00 58.58 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.501 0.850 9.111 1.00 44.64 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.278 0.538 9.836 1.00 40.79 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.192 1.556 9.545 1.00 39.02 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.451 2.756 9.457 1.00 38.10 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.580 0.500 11.342 1.00 39.58 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.357 0.356 12.222 1.00 37.25 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.727 -0.880 12.387 1.00 37.30 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.839 1.463 12.887 1.00 35.21 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.594 -1.006 13.197 1.00 36.23 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.712 1.347 13.695 1.00 36.20 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.088 0.107 13.853 1.00 36.75 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.970 1.063 9.387 1.00 37.09 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.838 1.933 9.127 1.00 35.74 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.742 1.731 10.160 1.00 35.13 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.103 0.681 10.221 1.00 34.83 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.254 1.682 7.739 1.00 35.24 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.335 2.059 6.319 1.00 36.43 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.544 2.756 10.975 1.00 34.18 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.524 2.766 12.009 1.00 33.46 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.138 2.393 11.484 1.00 33.79 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.392 1.657 12.137 1.00 33.00 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.413 4.165 12.599 1.00 33.26 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.913 4.436 14.008 1.00 35.14 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.618 5.887 14.358 1.00 35.52 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.238 3.497 14.995 1.00 33.01 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.778 2.900 10.309 1.00 31.92 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.443 2.635 9.831 1.00 32.03 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.179 1.432 8.924 1.00 33.07 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.186 1.401 8.199 1.00 32.54 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.859 3.941 9.272 1.00 31.80 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 28.996 5.125 10.236 1.00 32.88 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.649 5.000 11.586 1.00 31.07 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.503 6.350 9.795 1.00 32.74 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.810 6.067 12.473 1.00 31.28 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.667 7.424 10.674 1.00 32.52 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.322 7.284 12.016 1.00 32.55 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.059 0.437 8.965 1.00 32.74 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.809 -0.783 8.209 1.00 35.09 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.914 -1.988 9.143 1.00 35.47 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.607 -1.945 10.158 1.00 35.10 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.752 -0.946 7.002 1.00 36.71 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.125 -0.465 5.687 1.00 37.94 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.076 1.051 5.660 1.00 40.33 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.797 1.600 5.035 1.00 42.22 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 28.592 3.039 5.433 1.00 44.10 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.173 -3.040 8.807 1.00 37.39 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.137 -4.288 9.570 1.00 39.25 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.450 -5.351 8.686 1.00 42.67 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.789 -6.255 9.196 1.00 45.58 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.351 -4.093 10.880 1.00 36.38 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.031 -3.628 10.646 1.00 33.77 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.651 -5.242 7.369 1.00 45.12 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 28.057 -6.121 6.360 1.00 47.54 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.560 -6.456 6.614 1.00 47.24 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 26.204 -7.595 6.935 1.00 47.42 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.913 -7.417 6.157 1.00 49.42 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.733 -8.061 7.322 1.00 53.77 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.212 -9.566 7.235 1.00 57.05 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.169 -9.904 6.501 1.00 59.35 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 29.587 -10.427 7.899 1.00 57.62 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.718 -5.420 6.479 1.00 46.03 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.245 -5.442 6.626 1.00 44.14 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.625 -5.722 8.013 1.00 42.64 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.404 -5.668 8.184 1.00 42.66 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.615 -6.408 5.552 1.00 44.34 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.349 -5.893 5.114 1.00 44.99 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.405 -7.812 6.114 1.00 43.40 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.476 -5.953 9.008 1.00 40.18 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.033 -6.277 10.363 1.00 36.70 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.713 -5.138 11.352 1.00 33.94 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.241 -5.404 12.460 1.00 32.79 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.059 -7.235 10.981 1.00 39.21 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.139 -8.576 10.245 1.00 41.42 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.519 -8.899 9.675 1.00 43.01 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 27.466 -9.446 10.739 1.00 44.76 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.809 -10.418 11.668 1.00 44.70 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.951 -3.890 10.943 1.00 30.37 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.703 -2.695 11.764 1.00 27.00 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.231 -2.771 13.209 1.00 26.15 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.483 -2.554 14.167 1.00 26.23 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.204 -2.367 11.800 1.00 28.12 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.609 -2.118 10.414 1.00 28.50 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.461 -2.488 10.152 1.00 29.07 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.375 -1.480 9.532 1.00 27.50 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.526 -3.050 13.359 1.00 24.34 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.162 -3.156 14.672 1.00 22.17 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.659 -1.797 15.169 1.00 21.85 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.401 -1.114 14.474 1.00 22.32 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.331 -4.143 14.595 1.00 21.45 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.042 -5.548 14.041 1.00 19.52 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.332 -6.345 14.064 1.00 16.10 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.973 -6.256 14.875 1.00 19.98 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.259 -1.428 16.385 1.00 22.03 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.613 -0.145 17.004 1.00 21.44 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.886 0.993 16.271 1.00 21.26 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.218 1.809 16.906 1.00 20.87 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.133 0.088 17.000 1.00 21.25 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.045 -0.968 17.652 1.00 21.73 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.460 -0.405 17.701 1.00 23.89 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.591 -1.332 19.059 1.00 21.56 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 26.004 1.050 14.944 1.00 20.95 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.304 2.077 14.167 1.00 19.84 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.635 1.389 12.987 1.00 20.06 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.992 0.259 12.636 1.00 20.95 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.275 3.128 13.617 1.00 18.48 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 27.224 3.675 14.637 1.00 19.62 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.941 4.850 15.330 1.00 19.74 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.379 2.975 14.952 1.00 18.84 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.804 5.313 16.331 1.00 17.90 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 29.233 3.421 15.936 1.00 18.81 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.951 4.591 16.633 1.00 16.89 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.651 2.054 12.390 1.00 19.47 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 23.001 1.505 11.212 1.00 21.86 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 24.001 1.618 10.085 1.00 22.84 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.700 2.626 9.988 1.00 22.84 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.764 2.307 10.848 1.00 21.47 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.577 1.901 11.652 1.00 22.12 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.311 0.713 11.800 1.00 22.58 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.846 2.873 12.180 1.00 22.62 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 24.063 0.606 9.225 1.00 24.87 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 25.016 0.641 8.129 1.00 26.23 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.808 1.769 7.131 1.00 25.53 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.750 2.129 6.435 1.00 27.72 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 25.056 -0.697 7.391 1.00 28.06 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.530 -1.832 8.274 1.00 32.08 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.296 -1.579 9.231 1.00 34.30 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.147 -2.987 8.007 1.00 37.06 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.609 2.345 7.058 1.00 23.80 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.386 3.441 6.109 1.00 24.79 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.715 4.827 6.678 1.00 25.44 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.386 5.840 6.069 1.00 26.27 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.938 3.445 5.593 1.00 24.93 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.910 3.699 6.694 1.00 26.79 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.257 4.039 7.827 1.00 27.97 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.633 3.546 6.356 1.00 26.61 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.372 4.888 7.828 1.00 24.46 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.683 6.191 8.404 1.00 24.01 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.761 6.950 7.641 1.00 22.99 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.873 6.447 7.452 1.00 23.41 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.112 6.060 9.891 1.00 25.15 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.039 5.488 10.652 1.00 27.49 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.447 7.420 10.475 1.00 23.91 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.431 8.156 7.184 1.00 23.55 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.434 8.950 6.487 1.00 25.64 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.359 9.576 7.527 1.00 24.59 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.576 9.595 7.345 1.00 24.40 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.837 10.080 5.632 1.00 29.85 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.951 10.756 4.818 1.00 38.02 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.670 12.118 4.186 1.00 42.76 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 25.582 12.331 3.616 1.00 44.80 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.578 12.983 4.252 1.00 45.62 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.788 10.062 8.629 1.00 23.64 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.582 10.682 9.696 1.00 24.32 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.717 10.893 10.937 1.00 22.89 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.497 10.737 10.892 1.00 21.50 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.085 12.066 9.259 1.00 25.50 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.778 13.351 9.395 1.00 24.72 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.352 11.250 12.047 1.00 22.72 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.608 11.561 13.257 1.00 22.49 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.516 13.091 13.165 1.00 23.98 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.485 13.761 12.788 1.00 24.37 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.370 11.092 14.506 1.00 22.82 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.365 9.564 14.735 1.00 23.99 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.459 9.178 15.737 1.00 21.85 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 25.990 9.113 15.230 1.00 22.81 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.347 13.639 13.480 1.00 24.90 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.103 15.079 13.373 1.00 26.10 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.807 15.830 14.673 1.00 27.48 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.119 15.310 15.556 1.00 27.32 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.959 15.308 12.379 1.00 23.40 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.323 17.059 14.767 1.00 28.65 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.105 17.907 15.939 1.00 30.44 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.617 18.132 15.975 1.00 30.67 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.960 18.019 14.948 1.00 29.90 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.817 19.257 15.806 1.00 31.10 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.327 19.159 15.810 1.00 33.07 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.996 20.518 15.928 1.00 36.64 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.491 20.387 15.650 1.00 38.59 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.270 21.591 16.052 1.00 41.83 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.070 18.461 17.136 1.00 32.71 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.635 18.638 17.202 1.00 34.37 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.123 20.070 17.008 1.00 36.32 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.363 20.317 16.074 1.00 37.43 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.112 17.973 18.483 1.00 33.57 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.369 16.454 18.372 1.00 32.89 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 21.163 15.749 19.699 1.00 32.65 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.455 15.876 17.305 1.00 31.41 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.525 21.026 17.833 1.00 37.43 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 21.019 22.370 17.598 1.00 39.97 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.654 22.528 18.226 1.00 40.83 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.687 21.841 17.865 1.00 40.93 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.591 23.464 19.164 1.00 39.67 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.381 23.720 19.910 1.00 38.31 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.608 22.978 21.219 1.00 37.41 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.711 22.927 22.072 1.00 36.43 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.825 22.437 21.370 1.00 35.23 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.233 21.656 22.532 1.00 35.53 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 18.986 21.020 23.113 1.00 34.16 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.597 21.257 24.257 1.00 33.56 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 20.955 22.532 23.541 1.00 37.65 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.236 23.091 22.969 1.00 42.50 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.270 23.201 24.055 1.00 47.31 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.557 23.725 23.608 1.00 52.77 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.698 23.118 23.928 1.00 54.29 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 25.651 21.993 24.646 1.00 55.08 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.878 23.634 23.603 1.00 56.63 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.357 20.151 22.314 1.00 32.14 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.137 19.503 22.765 1.00 29.96 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.209 18.520 23.909 1.00 27.82 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.159 17.756 24.038 1.00 27.53 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.625 18.847 21.494 1.00 29.52 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.877 18.361 20.865 1.00 29.65 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.873 19.494 21.096 1.00 30.29 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.189 18.575 24.753 1.00 26.22 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 16.082 17.622 25.834 1.00 26.58 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.579 16.398 25.056 1.00 26.99 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.308 16.489 23.843 1.00 25.89 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 15.032 18.038 26.880 1.00 25.69 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.758 18.193 26.250 1.00 25.83 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.433 19.357 27.544 1.00 25.15 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.439 15.264 25.731 1.00 26.28 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 15.000 14.055 25.055 1.00 26.14 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.548 14.145 24.553 1.00 27.95 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.181 13.460 23.596 1.00 27.85 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.215 12.851 25.986 1.00 25.68 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 14.080 12.561 26.928 1.00 23.09 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 13.078 11.671 26.568 1.00 23.93 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.983 13.206 28.162 1.00 24.03 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 12.004 11.429 27.405 1.00 25.23 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.905 12.971 29.009 1.00 24.27 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.922 12.082 28.621 1.00 25.55 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.848 11.842 29.443 1.00 29.44 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.729 14.994 25.175 1.00 29.18 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.344 15.151 24.727 1.00 29.98 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.334 16.011 23.468 1.00 28.34 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.631 15.683 22.507 1.00 28.95 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.479 15.784 25.819 1.00 33.11 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.296 14.865 27.024 1.00 40.07 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.441 15.474 28.117 1.00 44.18 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.749 16.606 28.558 1.00 45.80 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.464 14.814 28.537 1.00 46.49 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.113 17.097 23.475 1.00 26.30 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.212 17.972 22.314 1.00 25.64 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.747 17.088 21.168 1.00 25.26 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.192 17.104 20.071 1.00 24.73 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 13.137 19.197 22.603 1.00 25.86 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.507 20.339 23.453 1.00 23.16 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.417 21.447 23.990 1.00 24.68 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.469 21.144 24.579 1.00 25.87 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 13.072 22.640 23.803 1.00 25.08 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.753 16.250 21.437 1.00 26.34 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.299 15.376 20.388 1.00 24.54 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.301 14.381 19.810 1.00 26.14 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.238 14.192 18.589 1.00 26.57 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.509 14.566 20.872 1.00 23.09 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.115 13.728 19.746 1.00 21.30 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.907 14.325 18.770 1.00 19.79 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.812 12.366 19.602 1.00 18.37 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.373 13.605 17.682 1.00 18.78 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.275 11.642 18.513 1.00 16.59 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.053 12.269 17.556 1.00 18.00 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.501 11.571 16.459 1.00 17.85 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.543 13.714 20.674 1.00 26.70 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.575 12.736 20.194 1.00 27.32 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.322 13.405 19.600 1.00 28.37 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.708 12.860 18.681 1.00 27.85 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.196 11.767 21.330 1.00 24.58 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.284 10.849 21.919 1.00 24.00 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.675 10.003 23.029 1.00 23.43 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.894 9.954 20.843 1.00 21.11 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.963 14.589 20.108 1.00 29.93 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.784 15.303 19.622 1.00 31.79 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.562 14.978 20.473 1.00 34.39 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.483 13.865 20.997 1.00 35.67 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.597 15.894 20.599 1.00 36.10 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.422 15.630 21.441 1.00 38.30 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.526 14.521 20.898 1.00 38.76 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.907 13.781 21.666 1.00 39.25 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.588 16.922 21.689 1.00 39.75 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.473 18.047 21.799 1.00 41.85 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 3.826 16.807 23.017 1.00 38.42 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.458 14.420 19.574 1.00 39.68 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.692 13.372 18.899 1.00 39.76 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.118 12.007 19.453 1.00 37.18 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.376 11.342 20.174 1.00 37.16 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 4.014 13.381 17.404 1.00 43.74 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 3.294 14.427 16.598 1.00 50.14 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 1.918 13.960 16.183 1.00 54.18 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 1.757 13.508 15.024 1.00 54.05 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 1.001 14.029 17.032 1.00 55.80 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.338 11.606 19.110 1.00 34.60 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.864 10.313 19.525 1.00 33.49 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.858 10.063 21.031 1.00 33.81 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.610 8.935 21.459 1.00 32.63 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.276 10.099 18.940 1.00 30.78 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.856 8.700 19.148 1.00 29.03 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.095 7.550 18.907 1.00 27.87 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.171 8.529 19.571 1.00 28.07 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.635 6.277 19.086 1.00 28.68 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.717 7.260 19.748 1.00 29.16 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.947 6.139 19.507 1.00 28.13 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.490 4.887 19.692 1.00 28.93 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.106 11.094 21.838 1.00 34.54 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.116 10.902 23.286 1.00 35.28 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.715 10.604 23.818 1.00 36.21 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.565 9.853 24.779 1.00 37.04 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.756 12.121 24.030 1.00 34.63 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.583 11.984 25.537 1.00 34.20 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.243 12.183 23.718 1.00 33.74 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.679 11.156 23.199 1.00 37.20 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.341 10.850 23.683 1.00 39.03 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.947 9.426 23.269 1.00 38.08 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.318 8.701 24.044 1.00 37.71 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.304 11.867 23.176 1.00 40.68 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.270 11.858 21.742 1.00 43.46 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.663 13.261 23.678 1.00 40.46 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.337 9.014 22.065 1.00 37.45 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.021 7.663 21.605 1.00 36.12 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.643 6.638 22.569 1.00 36.56 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.957 5.721 23.021 1.00 36.51 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.535 7.453 20.179 1.00 34.40 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.927 6.806 22.904 1.00 36.92 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.613 5.887 23.825 1.00 37.23 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.979 5.907 25.211 1.00 38.12 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.778 4.858 25.823 1.00 37.92 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.104 6.248 24.027 1.00 37.69 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.878 6.092 22.720 1.00 38.26 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.714 5.344 25.114 1.00 38.31 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.266 6.718 22.765 1.00 37.63 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.699 7.111 25.709 1.00 38.72 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.095 7.286 27.026 1.00 38.86 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.788 6.510 27.091 1.00 40.25 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.566 5.726 28.018 1.00 40.13 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.841 8.761 27.292 1.00 38.79 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.927 6.728 26.099 1.00 40.52 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.349 6.041 26.048 1.00 41.30 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.157 4.524 25.941 1.00 41.08 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -0.849 3.772 26.617 1.00 41.10 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.192 6.578 24.882 1.00 43.98 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -1.768 7.970 25.165 1.00 46.38 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.576 8.144 26.078 1.00 47.81 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.348 8.962 24.385 1.00 46.76 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.781 4.066 25.111 1.00 40.36 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 1.015 2.622 24.983 1.00 39.97 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.532 2.047 26.300 1.00 40.85 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.116 0.965 26.707 1.00 39.14 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 2.024 2.310 23.858 1.00 38.23 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.589 0.882 23.686 1.00 36.63 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.466 -0.128 23.526 1.00 35.63 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.511 0.842 22.470 1.00 37.25 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.427 2.778 26.967 1.00 44.11 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 3.007 2.318 28.227 1.00 46.19 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.970 2.181 29.340 1.00 47.78 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.176 1.410 30.281 1.00 47.70 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.145 3.254 28.672 1.00 47.07 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.426 3.213 27.802 1.00 49.33 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.304 1.985 28.080 1.00 52.22 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.483 1.847 27.092 1.00 54.94 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.729 2.592 27.456 1.00 55.75 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.852 2.897 29.239 1.00 49.32 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.156 2.788 30.287 1.00 51.50 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.886 1.444 30.223 1.00 51.60 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.734 1.148 31.065 1.00 52.25 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.154 3.965 30.241 1.00 53.08 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -2.365 3.821 29.327 1.00 55.46 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -3.485 4.779 29.761 1.00 56.95 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -4.571 4.922 28.689 1.00 58.48 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -5.134 3.617 28.221 1.00 59.61 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.532 0.626 29.235 1.00 52.30 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.125 -0.697 29.062 1.00 53.37 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.306 -1.772 29.785 1.00 55.08 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.791 -2.883 30.008 1.00 55.83 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.186 -1.061 27.583 1.00 51.86 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.701 -0.607 26.685 1.00 52.37 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.935 -1.449 30.143 1.00 56.70 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.799 -2.410 30.831 1.00 58.76 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 1.929 -2.153 32.329 1.00 59.45 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.507 -2.975 33.146 1.00 60.59 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 3.194 -2.425 30.194 1.00 60.37 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.187 -3.115 28.952 1.00 63.09 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 2.709 7.674 37.787 1.00 71.88 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.427 6.650 37.036 1.00 71.89 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 4.610 7.273 36.272 1.00 71.88 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 4.949 6.835 35.167 1.00 71.46 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.470 5.949 36.055 1.00 71.52 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 2.874 4.568 35.514 1.00 70.84 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 2.349 3.472 36.444 1.00 70.87 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 2.303 4.374 34.116 1.00 69.55 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.234 8.290 36.869 1.00 71.57 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.380 8.977 36.257 1.00 71.26 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.672 8.765 37.067 1.00 70.13 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.838 9.336 38.153 1.00 70.76 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.092 10.479 36.138 1.00 71.76 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 7.161 11.266 35.393 1.00 73.07 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 7.333 12.667 35.946 1.00 74.21 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 7.722 12.782 37.130 1.00 74.59 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 7.079 13.646 35.207 1.00 74.49 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.582 7.951 36.524 1.00 67.69 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.861 7.640 37.178 1.00 65.03 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.828 6.897 36.249 1.00 62.95 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.467 6.512 35.133 1.00 62.46 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.612 6.794 38.431 1.00 64.82 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 12.061 6.706 36.714 1.00 60.05 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 13.057 5.971 35.939 1.00 56.88 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.780 4.476 36.169 1.00 58.38 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.814 3.981 37.307 1.00 58.53 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.483 6.338 36.382 1.00 50.59 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.802 5.213 35.798 1.00 42.77 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.481 3.789 35.065 1.00 58.90 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.148 2.362 35.012 1.00 60.48 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.053 1.390 35.769 1.00 61.75 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 12.729 0.204 35.871 1.00 62.54 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.051 1.920 33.551 1.00 59.94 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.184 1.870 36.279 1.00 62.13 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.095 1.007 37.028 1.00 63.31 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.240 1.543 38.456 1.00 64.07 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 16.391 1.713 38.910 1.00 64.36 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.470 0.958 36.346 1.00 62.19 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.416 0.613 34.879 1.00 62.21 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.183 -0.695 34.454 1.00 62.04 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.578 1.608 33.917 1.00 62.02 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.111 -1.001 33.091 1.00 61.78 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.507 1.312 32.557 1.00 61.77 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.272 0.007 32.143 1.00 61.32 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? -3.396 6.504 20.350 1.00 54.90 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? -2.404 7.338 19.510 1.00 54.23 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? -1.968 8.459 20.344 1.00 56.25 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? -3.177 9.118 20.866 1.00 57.07 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? -4.056 8.240 21.695 1.00 57.04 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? -5.253 8.912 22.368 1.00 57.36 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? -0.812 6.393 17.976 1.00 51.26 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 0.355 5.450 17.755 1.00 49.31 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? -1.268 6.497 19.216 1.00 52.64 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? -1.181 9.408 19.634 1.00 55.86 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? -2.604 9.915 21.773 1.00 60.69 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? -4.512 7.238 20.852 1.00 55.04 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? -6.057 9.566 21.406 1.00 57.95 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? -1.287 7.019 17.031 1.00 50.80 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -2.920 11.315 21.827 1.00 20.00 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -3.175 12.501 22.825 1.00 20.00 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -4.033 13.531 22.075 1.00 20.00 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -3.125 14.075 20.950 1.00 20.00 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -2.721 12.898 19.990 1.00 20.00 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -1.676 13.306 19.005 1.00 20.00 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -3.222 11.446 25.128 1.00 20.00 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? -4.189 10.934 26.104 1.00 20.00 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -3.793 11.943 24.006 1.00 20.00 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -4.572 14.602 22.847 1.00 20.00 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -3.935 14.997 20.219 1.00 20.00 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -2.115 11.835 20.782 1.00 20.00 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -1.408 12.332 18.017 1.00 20.00 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -2.091 11.417 25.376 1.00 20.00 ? 2 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? 43.374 10.303 20.691 1.00 54.80 ? 687 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? 43.928 10.347 19.254 1.00 56.56 ? 687 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? 45.120 11.292 19.214 1.00 58.85 ? 687 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? 44.799 12.643 19.807 1.00 59.24 ? 687 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? 44.035 12.577 21.130 1.00 59.18 ? 687 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? 43.439 13.934 21.543 1.00 59.92 ? 687 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? 43.645 8.272 18.010 1.00 55.83 ? 687 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? 44.344 7.017 17.511 1.00 55.00 ? 687 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? 44.367 9.030 18.836 1.00 55.99 ? 687 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? 45.610 11.465 17.884 1.00 60.60 ? 687 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? 46.043 13.272 20.070 1.00 59.35 ? 687 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? 42.948 11.622 21.068 1.00 57.95 ? 687 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? 42.584 14.470 20.540 1.00 63.29 ? 687 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? 42.484 8.520 17.662 1.00 54.05 ? 687 NAG A O7 1 HETATM 2647 C C1 . NAG E 2 . ? 45.926 14.626 19.567 1.00 76.79 ? 688 NAG A C1 1 HETATM 2648 C C2 . NAG E 2 . ? 46.264 15.886 20.375 1.00 77.41 ? 688 NAG A C2 1 HETATM 2649 C C3 . NAG E 2 . ? 46.496 17.118 19.485 1.00 78.34 ? 688 NAG A C3 1 HETATM 2650 C C4 . NAG E 2 . ? 47.211 16.761 18.174 1.00 78.37 ? 688 NAG A C4 1 HETATM 2651 C C5 . NAG E 2 . ? 46.464 15.636 17.521 1.00 77.89 ? 688 NAG A C5 1 HETATM 2652 C C6 . NAG E 2 . ? 46.839 15.299 16.081 1.00 78.51 ? 688 NAG A C6 1 HETATM 2653 C C7 . NAG E 2 . ? 45.205 15.859 22.568 1.00 78.24 ? 688 NAG A C7 1 HETATM 2654 C C8 . NAG E 2 . ? 44.039 16.343 23.422 1.00 77.93 ? 688 NAG A C8 1 HETATM 2655 N N2 . NAG E 2 . ? 45.144 16.141 21.265 1.00 77.41 ? 688 NAG A N2 1 HETATM 2656 O O3 . NAG E 2 . ? 47.273 18.071 20.192 1.00 80.22 ? 688 NAG A O3 1 HETATM 2657 O O4 . NAG E 2 . ? 47.222 17.877 17.313 1.00 78.21 ? 688 NAG A O4 1 HETATM 2658 O O5 . NAG E 2 . ? 46.650 14.494 18.336 1.00 77.01 ? 688 NAG A O5 1 HETATM 2659 O O6 . NAG E 2 . ? 47.338 13.976 15.948 1.00 77.68 ? 688 NAG A O6 1 HETATM 2660 O O7 . NAG E 2 . ? 46.138 15.250 23.092 1.00 77.80 ? 688 NAG A O7 1 HETATM 2661 C C1 . NAG F 2 . ? 13.113 4.991 1.444 1.00 20.00 ? 689 NAG A C1 1 HETATM 2662 C C2 . NAG F 2 . ? 13.232 6.441 0.849 1.00 20.00 ? 689 NAG A C2 1 HETATM 2663 C C3 . NAG F 2 . ? 14.040 6.318 -0.451 1.00 20.00 ? 689 NAG A C3 1 HETATM 2664 C C4 . NAG F 2 . ? 15.459 5.892 -0.009 1.00 20.00 ? 689 NAG A C4 1 HETATM 2665 C C5 . NAG F 2 . ? 15.383 4.502 0.718 1.00 20.00 ? 689 NAG A C5 1 HETATM 2666 C C6 . NAG F 2 . ? 16.680 4.127 1.358 1.00 20.00 ? 689 NAG A C6 1 HETATM 2667 C C7 . NAG F 2 . ? 11.112 7.635 1.553 1.00 20.00 ? 689 NAG A C7 1 HETATM 2668 C C8 . NAG F 2 . ? 9.781 7.952 1.026 1.00 20.00 ? 689 NAG A C8 1 HETATM 2669 N N2 . NAG F 2 . ? 11.891 6.948 0.684 1.00 20.00 ? 689 NAG A N2 1 HETATM 2670 O O3 . NAG F 2 . ? 14.099 7.474 -1.282 1.00 20.00 ? 689 NAG A O3 1 HETATM 2671 O O4 . NAG F 2 . ? 16.200 5.727 -1.220 1.00 20.00 ? 689 NAG A O4 1 HETATM 2672 O O5 . NAG F 2 . ? 14.424 4.598 1.812 1.00 20.00 ? 689 NAG A O5 1 HETATM 2673 O O6 . NAG F 2 . ? 16.706 2.813 1.876 1.00 20.00 ? 689 NAG A O6 1 HETATM 2674 O O7 . NAG F 2 . ? 11.406 7.993 2.614 1.00 20.00 ? 689 NAG A O7 1 HETATM 2675 C C1 . NAG G 2 . ? 17.612 6.073 -1.176 1.00 60.78 ? 690 NAG A C1 1 HETATM 2676 C C2 . NAG G 2 . ? 18.344 5.130 -2.124 1.00 61.51 ? 690 NAG A C2 1 HETATM 2677 C C3 . NAG G 2 . ? 19.740 5.698 -2.383 1.00 63.22 ? 690 NAG A C3 1 HETATM 2678 C C4 . NAG G 2 . ? 19.671 7.197 -2.760 1.00 64.35 ? 690 NAG A C4 1 HETATM 2679 C C5 . NAG G 2 . ? 18.834 8.001 -1.773 1.00 63.34 ? 690 NAG A C5 1 HETATM 2680 C C6 . NAG G 2 . ? 18.622 9.441 -2.212 1.00 62.91 ? 690 NAG A C6 1 HETATM 2681 C C7 . NAG G 2 . ? 18.027 2.691 -2.131 1.00 61.77 ? 690 NAG A C7 1 HETATM 2682 C C8 . NAG G 2 . ? 18.565 1.383 -1.559 1.00 61.54 ? 690 NAG A C8 1 HETATM 2683 N N2 . NAG G 2 . ? 18.421 3.809 -1.509 1.00 61.03 ? 690 NAG A N2 1 HETATM 2684 O O3 . NAG G 2 . ? 20.350 4.978 -3.444 1.00 61.84 ? 690 NAG A O3 1 HETATM 2685 O O4 . NAG G 2 . ? 20.979 7.739 -2.790 1.00 67.16 ? 690 NAG A O4 1 HETATM 2686 O O5 . NAG G 2 . ? 17.547 7.408 -1.677 1.00 61.56 ? 690 NAG A O5 1 HETATM 2687 O O6 . NAG G 2 . ? 18.099 10.218 -1.152 1.00 61.96 ? 690 NAG A O6 1 HETATM 2688 O O7 . NAG G 2 . ? 17.280 2.667 -3.114 1.00 61.02 ? 690 NAG A O7 1 HETATM 2689 FE FE . FE H 3 . ? 14.518 2.521 15.155 1.00 27.62 ? 691 FE A FE 1 HETATM 2690 C C . CO3 I 4 . ? 13.144 0.356 15.366 1.00 22.66 ? 692 CO3 A C 1 HETATM 2691 O O1 . CO3 I 4 . ? 14.406 0.335 15.646 1.00 21.11 ? 692 CO3 A O1 1 HETATM 2692 O O2 . CO3 I 4 . ? 12.578 1.479 14.995 1.00 22.71 ? 692 CO3 A O2 1 HETATM 2693 O O3 . CO3 I 4 . ? 12.444 -0.733 15.450 1.00 20.76 ? 692 CO3 A O3 1 HETATM 2694 ZN ZN . ZN J 5 . ? 15.008 23.196 23.938 1.00 36.35 ? 3 ZN A ZN 1 HETATM 2695 ZN ZN . ZN K 5 . ? 3.106 10.622 7.636 1.00 41.82 ? 4 ZN A ZN 1 HETATM 2696 S S . SO4 L 6 . ? -1.688 -6.227 -4.537 0.50 34.45 ? 5 SO4 A S 1 HETATM 2697 O O1 . SO4 L 6 . ? -1.914 -6.411 -5.980 0.50 33.27 ? 5 SO4 A O1 1 HETATM 2698 O O2 . SO4 L 6 . ? -2.883 -5.615 -3.921 0.50 34.42 ? 5 SO4 A O2 1 HETATM 2699 O O3 . SO4 L 6 . ? -1.421 -7.536 -3.915 0.50 33.69 ? 5 SO4 A O3 1 HETATM 2700 O O4 . SO4 L 6 . ? -0.537 -5.335 -4.345 0.50 33.01 ? 5 SO4 A O4 1 HETATM 2701 C C1 . COU M 7 . ? 11.606 16.683 16.999 1.00 56.26 ? 693 COU A C1 1 HETATM 2702 C C2 . COU M 7 . ? 12.738 16.647 16.086 1.00 56.57 ? 693 COU A C2 1 HETATM 2703 C C3 . COU M 7 . ? 13.077 17.773 15.375 1.00 57.16 ? 693 COU A C3 1 HETATM 2704 C C4 . COU M 7 . ? 12.255 19.022 15.513 1.00 57.27 ? 693 COU A C4 1 HETATM 2705 C C5 . COU M 7 . ? 12.549 20.247 14.811 1.00 57.39 ? 693 COU A C5 1 HETATM 2706 C C6 . COU M 7 . ? 11.739 21.374 15.000 1.00 56.88 ? 693 COU A C6 1 HETATM 2707 C C7 . COU M 7 . ? 10.638 21.332 15.912 1.00 57.00 ? 693 COU A C7 1 HETATM 2708 C C8 . COU M 7 . ? 10.333 20.150 16.620 1.00 56.76 ? 693 COU A C8 1 HETATM 2709 C C9 . COU M 7 . ? 11.150 18.997 16.452 1.00 56.70 ? 693 COU A C9 1 HETATM 2710 O O1 . COU M 7 . ? 11.295 15.704 17.639 1.00 57.31 ? 693 COU A O1 1 HETATM 2711 O O2 . COU M 7 . ? 10.848 17.824 17.136 1.00 57.11 ? 693 COU A O2 1 HETATM 2712 O O . HOH N 8 . ? 11.091 -10.528 14.215 1.00 28.24 ? 694 HOH A O 1 HETATM 2713 O O . HOH N 8 . ? 16.905 3.532 12.154 1.00 15.08 ? 695 HOH A O 1 HETATM 2714 O O . HOH N 8 . ? 13.395 5.866 16.636 1.00 22.06 ? 696 HOH A O 1 HETATM 2715 O O . HOH N 8 . ? 27.488 0.054 11.176 1.00 34.72 ? 697 HOH A O 1 HETATM 2716 O O . HOH N 8 . ? 25.819 1.746 19.850 1.00 29.82 ? 698 HOH A O 1 HETATM 2717 O O . HOH N 8 . ? 12.910 5.836 5.726 1.00 23.26 ? 699 HOH A O 1 HETATM 2718 O O . HOH N 8 . ? 22.933 0.188 21.142 1.00 24.92 ? 700 HOH A O 1 HETATM 2719 O O . HOH N 8 . ? 25.462 -0.593 21.238 1.00 26.30 ? 701 HOH A O 1 HETATM 2720 O O . HOH N 8 . ? 25.839 -8.378 19.239 1.00 26.43 ? 702 HOH A O 1 HETATM 2721 O O . HOH N 8 . ? 5.243 -14.311 4.481 1.00 36.07 ? 703 HOH A O 1 HETATM 2722 O O . HOH N 8 . ? -3.813 -2.012 4.274 1.00 30.29 ? 704 HOH A O 1 HETATM 2723 O O . HOH N 8 . ? 14.044 -4.715 23.556 1.00 25.61 ? 705 HOH A O 1 HETATM 2724 O O . HOH N 8 . ? 19.490 -0.624 14.099 1.00 19.61 ? 706 HOH A O 1 HETATM 2725 O O . HOH N 8 . ? 27.655 9.135 30.180 1.00 38.21 ? 707 HOH A O 1 HETATM 2726 O O . HOH N 8 . ? 3.350 0.932 5.671 1.00 14.68 ? 708 HOH A O 1 HETATM 2727 O O . HOH N 8 . ? 17.707 -1.718 7.783 1.00 28.00 ? 709 HOH A O 1 HETATM 2728 O O . HOH N 8 . ? 3.345 -12.012 3.852 1.00 28.13 ? 710 HOH A O 1 HETATM 2729 O O . HOH N 8 . ? 18.142 -4.774 23.298 1.00 41.03 ? 711 HOH A O 1 HETATM 2730 O O . HOH N 8 . ? 5.413 -12.355 -2.990 1.00 33.60 ? 712 HOH A O 1 HETATM 2731 O O . HOH N 8 . ? 19.681 -12.994 10.799 1.00 34.20 ? 713 HOH A O 1 HETATM 2732 O O . HOH N 8 . ? 22.325 12.607 33.198 1.00 35.47 ? 714 HOH A O 1 HETATM 2733 O O . HOH N 8 . ? -0.496 4.629 5.845 1.00 31.31 ? 715 HOH A O 1 HETATM 2734 O O . HOH N 8 . ? 22.976 -0.879 18.140 1.00 25.60 ? 716 HOH A O 1 HETATM 2735 O O . HOH N 8 . ? 6.362 -0.030 11.582 1.00 16.09 ? 717 HOH A O 1 HETATM 2736 O O . HOH N 8 . ? 7.387 7.405 -1.665 1.00 35.92 ? 718 HOH A O 1 HETATM 2737 O O . HOH N 8 . ? 21.653 -4.497 14.953 1.00 40.70 ? 719 HOH A O 1 HETATM 2738 O O . HOH N 8 . ? 22.844 -6.707 19.321 1.00 34.61 ? 720 HOH A O 1 HETATM 2739 O O . HOH N 8 . ? 22.573 -4.557 17.456 1.00 25.75 ? 721 HOH A O 1 HETATM 2740 O O . HOH N 8 . ? 32.280 4.246 8.130 1.00 26.88 ? 722 HOH A O 1 HETATM 2741 O O . HOH N 8 . ? 19.239 0.353 9.057 1.00 35.88 ? 723 HOH A O 1 HETATM 2742 O O . HOH N 8 . ? 18.646 0.642 19.808 1.00 28.57 ? 724 HOH A O 1 HETATM 2743 O O . HOH N 8 . ? 20.852 6.001 9.658 1.00 40.12 ? 725 HOH A O 1 HETATM 2744 O O . HOH N 8 . ? 18.396 6.025 12.537 1.00 21.00 ? 726 HOH A O 1 HETATM 2745 O O . HOH N 8 . ? 19.758 -8.453 -2.004 1.00 37.13 ? 727 HOH A O 1 HETATM 2746 O O . HOH N 8 . ? 23.865 -3.694 33.393 1.00 38.32 ? 728 HOH A O 1 HETATM 2747 O O . HOH N 8 . ? 19.416 -4.830 11.845 1.00 33.99 ? 729 HOH A O 1 HETATM 2748 O O . HOH N 8 . ? 23.991 -7.877 30.580 1.00 41.71 ? 730 HOH A O 1 HETATM 2749 O O . HOH N 8 . ? 19.434 14.979 6.712 1.00 48.71 ? 731 HOH A O 1 HETATM 2750 O O . HOH N 8 . ? 33.372 -2.173 10.441 1.00 49.04 ? 732 HOH A O 1 HETATM 2751 O O . HOH N 8 . ? 16.837 15.282 28.458 1.00 40.31 ? 733 HOH A O 1 HETATM 2752 O O . HOH N 8 . ? 1.010 7.180 4.997 1.00 36.63 ? 734 HOH A O 1 HETATM 2753 O O . HOH N 8 . ? 21.550 2.454 15.072 1.00 34.39 ? 735 HOH A O 1 HETATM 2754 O O . HOH N 8 . ? 28.398 7.198 32.533 1.00 41.03 ? 736 HOH A O 1 HETATM 2755 O O . HOH N 8 . ? 7.232 -19.155 22.685 1.00 29.82 ? 737 HOH A O 1 HETATM 2756 O O . HOH N 8 . ? 18.684 -3.090 14.191 1.00 37.14 ? 738 HOH A O 1 HETATM 2757 O O . HOH N 8 . ? 20.314 -1.134 20.962 1.00 18.43 ? 739 HOH A O 1 HETATM 2758 O O . HOH N 8 . ? 7.173 13.020 17.677 1.00 37.62 ? 740 HOH A O 1 HETATM 2759 O O . HOH N 8 . ? -0.258 5.035 21.614 1.00 38.32 ? 741 HOH A O 1 HETATM 2760 O O . HOH N 8 . ? 27.624 -5.969 31.525 1.00 45.12 ? 742 HOH A O 1 HETATM 2761 O O . HOH N 8 . ? 0.005 -10.256 19.466 1.00 27.92 ? 743 HOH A O 1 HETATM 2762 O O . HOH N 8 . ? -4.351 -2.169 -2.580 1.00 33.27 ? 744 HOH A O 1 HETATM 2763 O O . HOH N 8 . ? 22.370 -0.272 15.428 1.00 35.26 ? 745 HOH A O 1 HETATM 2764 O O . HOH N 8 . ? 31.463 -8.120 14.595 1.00 41.93 ? 746 HOH A O 1 HETATM 2765 O O . HOH N 8 . ? 42.043 8.470 37.388 1.00 52.89 ? 747 HOH A O 1 HETATM 2766 O O . HOH N 8 . ? 17.215 4.797 7.985 1.00 29.31 ? 748 HOH A O 1 HETATM 2767 O O . HOH N 8 . ? 1.606 -12.800 19.257 1.00 41.10 ? 749 HOH A O 1 HETATM 2768 O O . HOH N 8 . ? 5.454 -11.650 26.856 1.00 42.99 ? 750 HOH A O 1 HETATM 2769 O O . HOH N 8 . ? 16.908 -3.835 26.084 1.00 49.98 ? 751 HOH A O 1 HETATM 2770 O O . HOH N 8 . ? -1.766 3.137 22.510 1.00 43.92 ? 752 HOH A O 1 HETATM 2771 O O . HOH N 8 . ? 13.434 0.213 27.072 1.00 26.81 ? 753 HOH A O 1 HETATM 2772 O O . HOH N 8 . ? 31.797 -5.196 29.992 1.00 47.52 ? 754 HOH A O 1 HETATM 2773 O O . HOH N 8 . ? 24.802 -10.302 30.633 1.00 34.68 ? 755 HOH A O 1 HETATM 2774 O O . HOH N 8 . ? 9.952 2.454 24.499 1.00 38.38 ? 756 HOH A O 1 HETATM 2775 O O . HOH N 8 . ? 16.915 13.540 30.392 1.00 40.83 ? 757 HOH A O 1 HETATM 2776 O O . HOH N 8 . ? 13.331 -20.194 11.495 1.00 44.25 ? 758 HOH A O 1 HETATM 2777 O O . HOH N 8 . ? 21.926 -14.749 27.360 1.00 51.73 ? 759 HOH A O 1 HETATM 2778 O O . HOH N 8 . ? 31.171 10.072 8.384 1.00 41.59 ? 760 HOH A O 1 HETATM 2779 O O . HOH N 8 . ? -0.900 -16.701 9.334 1.00 42.21 ? 761 HOH A O 1 HETATM 2780 O O . HOH N 8 . ? 4.782 -1.696 25.218 1.00 35.23 ? 762 HOH A O 1 HETATM 2781 O O . HOH N 8 . ? 24.982 18.053 19.578 1.00 48.90 ? 763 HOH A O 1 HETATM 2782 O O . HOH N 8 . ? 6.666 0.217 24.586 1.00 47.79 ? 764 HOH A O 1 HETATM 2783 O O . HOH N 8 . ? 0.878 7.651 7.769 1.00 49.41 ? 765 HOH A O 1 HETATM 2784 O O . HOH N 8 . ? 30.998 -3.061 34.821 1.00 46.12 ? 766 HOH A O 1 HETATM 2785 O O . HOH N 8 . ? 11.647 18.988 27.590 1.00 49.65 ? 767 HOH A O 1 HETATM 2786 O O . HOH N 8 . ? 11.714 -11.839 -3.858 1.00 40.08 ? 768 HOH A O 1 HETATM 2787 O O . HOH N 8 . ? 10.951 -20.336 14.354 1.00 47.95 ? 769 HOH A O 1 HETATM 2788 O O . HOH N 8 . ? 6.031 -19.657 9.840 1.00 46.17 ? 770 HOH A O 1 HETATM 2789 O O . HOH N 8 . ? 28.180 17.623 29.584 1.00 41.60 ? 771 HOH A O 1 HETATM 2790 O O . HOH N 8 . ? 18.573 12.102 8.381 1.00 52.89 ? 772 HOH A O 1 HETATM 2791 O O . HOH N 8 . ? 30.439 13.230 37.101 1.00 48.76 ? 773 HOH A O 1 HETATM 2792 O O . HOH N 8 . ? 17.318 -6.503 30.345 1.00 38.71 ? 774 HOH A O 1 HETATM 2793 O O . HOH N 8 . ? 38.157 -2.321 24.917 1.00 52.53 ? 775 HOH A O 1 HETATM 2794 O O . HOH N 8 . ? 23.920 -13.621 14.550 1.00 34.39 ? 776 HOH A O 1 HETATM 2795 O O . HOH N 8 . ? 17.609 10.087 26.283 1.00 57.60 ? 777 HOH A O 1 HETATM 2796 O O . HOH N 8 . ? 20.611 17.527 23.543 1.00 44.51 ? 778 HOH A O 1 HETATM 2797 O O . HOH N 8 . ? 21.110 0.425 7.329 1.00 47.43 ? 779 HOH A O 1 HETATM 2798 O O . HOH N 8 . ? 25.256 -5.688 32.444 1.00 38.02 ? 780 HOH A O 1 HETATM 2799 O O . HOH N 8 . ? 20.974 1.769 17.529 1.00 45.32 ? 781 HOH A O 1 HETATM 2800 O O . HOH N 8 . ? 32.078 -5.614 12.834 1.00 44.09 ? 782 HOH A O 1 HETATM 2801 O O . HOH N 8 . ? 4.429 7.817 -2.515 1.00 51.26 ? 783 HOH A O 1 HETATM 2802 O O . HOH N 8 . ? -3.634 -14.078 2.139 1.00 42.68 ? 784 HOH A O 1 HETATM 2803 O O . HOH N 8 . ? 12.604 4.353 32.352 1.00 47.28 ? 785 HOH A O 1 HETATM 2804 O O . HOH N 8 . ? 16.636 -18.089 3.664 1.00 47.02 ? 786 HOH A O 1 HETATM 2805 O O . HOH N 8 . ? 30.183 -4.780 32.679 1.00 50.10 ? 787 HOH A O 1 HETATM 2806 O O . HOH N 8 . ? 36.036 16.349 13.676 1.00 52.04 ? 788 HOH A O 1 HETATM 2807 O O . HOH N 8 . ? 18.561 12.015 5.721 1.00 46.11 ? 789 HOH A O 1 HETATM 2808 O O . HOH N 8 . ? -1.306 -18.977 19.824 1.00 48.05 ? 790 HOH A O 1 HETATM 2809 O O . HOH N 8 . ? 22.381 -15.645 15.533 1.00 53.40 ? 791 HOH A O 1 HETATM 2810 O O . HOH N 8 . ? 38.028 13.395 7.694 1.00 48.75 ? 792 HOH A O 1 HETATM 2811 O O . HOH N 8 . ? 9.511 4.230 -0.770 1.00 49.80 ? 793 HOH A O 1 HETATM 2812 O O . HOH N 8 . ? 23.034 -12.594 25.513 1.00 47.28 ? 794 HOH A O 1 HETATM 2813 O O . HOH N 8 . ? 8.645 -21.943 15.594 1.00 51.43 ? 795 HOH A O 1 HETATM 2814 O O . HOH N 8 . ? -0.227 -19.333 13.821 1.00 56.64 ? 796 HOH A O 1 HETATM 2815 O O . HOH N 8 . ? 22.281 -2.679 6.879 1.00 47.26 ? 797 HOH A O 1 HETATM 2816 O O . HOH N 8 . ? 10.364 -18.273 1.693 1.00 45.83 ? 798 HOH A O 1 HETATM 2817 O O . HOH N 8 . ? 1.353 8.435 13.063 1.00 47.18 ? 799 HOH A O 1 HETATM 2818 O O . HOH N 8 . ? 5.160 7.567 -6.510 1.00 54.24 ? 800 HOH A O 1 HETATM 2819 O O . HOH N 8 . ? 4.467 10.519 12.216 1.00 46.46 ? 801 HOH A O 1 HETATM 2820 O O . HOH N 8 . ? 39.481 10.674 19.863 1.00 50.74 ? 802 HOH A O 1 HETATM 2821 O O . HOH N 8 . ? 29.205 16.185 4.351 1.00 55.02 ? 803 HOH A O 1 HETATM 2822 O O . HOH N 8 . ? 4.215 -15.892 1.024 1.00 45.74 ? 804 HOH A O 1 HETATM 2823 O O . HOH N 8 . ? 1.095 10.133 8.155 1.00 46.06 ? 805 HOH A O 1 HETATM 2824 O O . HOH N 8 . ? 18.348 -3.207 33.033 1.00 52.36 ? 806 HOH A O 1 HETATM 2825 O O . HOH N 8 . ? 10.874 -20.846 6.964 1.00 49.36 ? 807 HOH A O 1 HETATM 2826 O O . HOH N 8 . ? 23.067 -10.599 13.172 1.00 54.07 ? 808 HOH A O 1 HETATM 2827 O O . HOH N 8 . ? 20.511 -3.054 18.654 1.00 48.02 ? 809 HOH A O 1 HETATM 2828 O O . HOH N 8 . ? 24.314 21.749 18.455 1.00 55.70 ? 810 HOH A O 1 HETATM 2829 O O . HOH N 8 . ? 37.632 -7.939 17.293 1.00 52.65 ? 811 HOH A O 1 HETATM 2830 O O . HOH N 8 . ? 2.385 -19.494 24.690 1.00 48.11 ? 812 HOH A O 1 HETATM 2831 O O . HOH N 8 . ? -7.000 2.426 10.148 1.00 51.30 ? 813 HOH A O 1 HETATM 2832 O O . HOH N 8 . ? 29.241 2.315 40.251 1.00 43.55 ? 814 HOH A O 1 HETATM 2833 O O . HOH N 8 . ? -5.099 -4.954 -2.921 1.00 48.97 ? 815 HOH A O 1 HETATM 2834 O O . HOH N 8 . ? 25.089 -19.177 22.985 1.00 48.14 ? 816 HOH A O 1 HETATM 2835 O O . HOH N 8 . ? 31.042 19.425 23.302 1.00 49.25 ? 817 HOH A O 1 HETATM 2836 O O . HOH N 8 . ? -2.432 6.087 4.044 1.00 49.07 ? 818 HOH A O 1 HETATM 2837 O O . HOH N 8 . ? 32.430 5.449 32.185 1.00 51.82 ? 819 HOH A O 1 HETATM 2838 O O . HOH N 8 . ? -6.528 -4.504 12.297 1.00 49.82 ? 820 HOH A O 1 HETATM 2839 O O . HOH N 8 . ? 27.395 -3.163 6.446 1.00 58.83 ? 821 HOH A O 1 HETATM 2840 O O . HOH N 8 . ? 31.714 16.281 29.902 1.00 50.98 ? 822 HOH A O 1 HETATM 2841 O O . HOH N 8 . ? 15.852 -21.555 11.910 1.00 44.65 ? 823 HOH A O 1 HETATM 2842 O O . HOH N 8 . ? -6.950 -2.698 14.117 1.00 44.73 ? 824 HOH A O 1 HETATM 2843 O O . HOH N 8 . ? 18.761 8.778 37.272 1.00 46.86 ? 825 HOH A O 1 HETATM 2844 O O . HOH N 8 . ? 7.615 -2.753 27.672 1.00 51.06 ? 826 HOH A O 1 HETATM 2845 O O . HOH N 8 . ? -5.212 -15.682 10.254 1.00 58.71 ? 827 HOH A O 1 HETATM 2846 O O . HOH N 8 . ? 29.857 -3.428 5.232 1.00 50.61 ? 828 HOH A O 1 HETATM 2847 O O . HOH N 8 . ? 9.408 8.715 -2.923 1.00 51.74 ? 829 HOH A O 1 HETATM 2848 O O . HOH N 8 . ? 19.231 20.172 26.466 1.00 49.66 ? 830 HOH A O 1 HETATM 2849 O O . HOH N 8 . ? 9.573 -13.836 -1.771 1.00 52.50 ? 831 HOH A O 1 HETATM 2850 O O . HOH N 8 . ? -1.638 -9.403 -6.335 1.00 57.27 ? 832 HOH A O 1 HETATM 2851 O O . HOH N 8 . ? 8.424 -2.894 -7.081 1.00 50.68 ? 833 HOH A O 1 HETATM 2852 O O . HOH N 8 . ? 13.527 -0.664 -7.186 1.00 51.39 ? 834 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_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_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # _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 ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 85.0 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 170.8 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 98.0 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 104.3 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 113.3 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 82.6 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 78.8 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 85.5 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 92.7 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 161.1 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 84.1 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 146.0 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 88.6 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 100.7 ? 15 O2 ? I CO3 . ? A CO3 692 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 60.8 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? K ZN . ? A ZN 4 ? 1_555 O ? N HOH . ? A HOH 805 ? 1_555 114.1 ? 17 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? J ZN . ? A ZN 3 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 62.0 ? # 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 2008-04-29 2 'Structure model' 1 1 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' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 CNS refinement . ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.sequence_details ;THERE ARE CONFLICTS 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 3CRB _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 C _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 GLY _pdbx_validate_rmsd_angle.auth_seq_id_1 351 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 N _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 352 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CA _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 352 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 128.52 _pdbx_validate_rmsd_angle.angle_target_value 119.30 _pdbx_validate_rmsd_angle.angle_deviation 9.22 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.50 _pdbx_validate_rmsd_angle.linker_flag Y # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 460 ? ? 174.53 150.35 2 1 TRP A 467 ? ? -145.87 -56.82 3 1 ALA A 482 ? ? -83.69 46.00 4 1 TYR A 523 ? ? -98.37 32.52 5 1 THR A 557 ? ? 68.61 -8.28 6 1 CYS A 625 ? ? -49.91 -79.49 7 1 SER A 634 ? ? -166.44 32.86 8 1 THR A 636 ? ? 66.73 -1.09 9 1 LEU A 640 ? ? 69.69 -51.92 10 1 ARG A 654 ? ? 27.28 63.16 11 1 GLU A 664 ? ? -52.68 -70.46 12 1 ALA A 685 ? ? -47.45 -8.82 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'FE (III) ION' FE 4 'CARBONATE ION' CO3 5 'ZINC ION' ZN 6 'SULFATE ION' SO4 7 COUMARIN COU 8 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 2 NAG 1 687 1 NAG NAG A . E 2 NAG 2 688 2 NAG NAG A . F 2 NAG 1 689 1 NAG NAG A . G 2 NAG 2 690 2 NAG NAG A . H 3 FE 1 691 1 FE FE A . I 4 CO3 1 692 2 CO3 CO3 A . J 5 ZN 1 3 3 ZN ZN A . K 5 ZN 1 4 4 ZN ZN A . L 6 SO4 1 5 5 SO4 SO4 A . M 7 COU 1 693 1 COU COU A . N 8 HOH 1 694 1 HOH HOH A . N 8 HOH 2 695 2 HOH HOH A . N 8 HOH 3 696 3 HOH HOH A . N 8 HOH 4 697 4 HOH HOH A . N 8 HOH 5 698 5 HOH HOH A . N 8 HOH 6 699 6 HOH HOH A . N 8 HOH 7 700 7 HOH HOH A . N 8 HOH 8 701 8 HOH HOH A . N 8 HOH 9 702 9 HOH HOH A . N 8 HOH 10 703 10 HOH HOH A . N 8 HOH 11 704 11 HOH HOH A . N 8 HOH 12 705 12 HOH HOH A . N 8 HOH 13 706 13 HOH HOH A . N 8 HOH 14 707 14 HOH HOH A . N 8 HOH 15 708 15 HOH HOH A . N 8 HOH 16 709 16 HOH HOH A . N 8 HOH 17 710 17 HOH HOH A . N 8 HOH 18 711 18 HOH HOH A . N 8 HOH 19 712 19 HOH HOH A . N 8 HOH 20 713 20 HOH HOH A . N 8 HOH 21 714 21 HOH HOH A . N 8 HOH 22 715 22 HOH HOH A . N 8 HOH 23 716 23 HOH HOH A . N 8 HOH 24 717 24 HOH HOH A . N 8 HOH 25 718 25 HOH HOH A . N 8 HOH 26 719 26 HOH HOH A . N 8 HOH 27 720 27 HOH HOH A . N 8 HOH 28 721 28 HOH HOH A . N 8 HOH 29 722 29 HOH HOH A . N 8 HOH 30 723 30 HOH HOH A . N 8 HOH 31 724 31 HOH HOH A . N 8 HOH 32 725 32 HOH HOH A . N 8 HOH 33 726 33 HOH HOH A . N 8 HOH 34 727 34 HOH HOH A . N 8 HOH 35 728 35 HOH HOH A . N 8 HOH 36 729 36 HOH HOH A . N 8 HOH 37 730 37 HOH HOH A . N 8 HOH 38 731 38 HOH HOH A . N 8 HOH 39 732 39 HOH HOH A . N 8 HOH 40 733 40 HOH HOH A . N 8 HOH 41 734 41 HOH HOH A . N 8 HOH 42 735 42 HOH HOH A . N 8 HOH 43 736 43 HOH HOH A . N 8 HOH 44 737 44 HOH HOH A . N 8 HOH 45 738 45 HOH HOH A . N 8 HOH 46 739 46 HOH HOH A . N 8 HOH 47 740 47 HOH HOH A . N 8 HOH 48 741 49 HOH HOH A . N 8 HOH 49 742 50 HOH HOH A . N 8 HOH 50 743 51 HOH HOH A . N 8 HOH 51 744 52 HOH HOH A . N 8 HOH 52 745 53 HOH HOH A . N 8 HOH 53 746 54 HOH HOH A . N 8 HOH 54 747 55 HOH HOH A . N 8 HOH 55 748 56 HOH HOH A . N 8 HOH 56 749 57 HOH HOH A . N 8 HOH 57 750 59 HOH HOH A . N 8 HOH 58 751 60 HOH HOH A . N 8 HOH 59 752 61 HOH HOH A . N 8 HOH 60 753 62 HOH HOH A . N 8 HOH 61 754 63 HOH HOH A . N 8 HOH 62 755 64 HOH HOH A . N 8 HOH 63 756 65 HOH HOH A . N 8 HOH 64 757 66 HOH HOH A . N 8 HOH 65 758 67 HOH HOH A . N 8 HOH 66 759 68 HOH HOH A . N 8 HOH 67 760 69 HOH HOH A . N 8 HOH 68 761 70 HOH HOH A . N 8 HOH 69 762 71 HOH HOH A . N 8 HOH 70 763 73 HOH HOH A . N 8 HOH 71 764 74 HOH HOH A . N 8 HOH 72 765 75 HOH HOH A . N 8 HOH 73 766 76 HOH HOH A . N 8 HOH 74 767 78 HOH HOH A . N 8 HOH 75 768 79 HOH HOH A . N 8 HOH 76 769 80 HOH HOH A . N 8 HOH 77 770 81 HOH HOH A . N 8 HOH 78 771 84 HOH HOH A . N 8 HOH 79 772 85 HOH HOH A . N 8 HOH 80 773 86 HOH HOH A . N 8 HOH 81 774 88 HOH HOH A . N 8 HOH 82 775 89 HOH HOH A . N 8 HOH 83 776 91 HOH HOH A . N 8 HOH 84 777 96 HOH HOH A . N 8 HOH 85 778 98 HOH HOH A . N 8 HOH 86 779 99 HOH HOH A . N 8 HOH 87 780 100 HOH HOH A . N 8 HOH 88 781 101 HOH HOH A . N 8 HOH 89 782 102 HOH HOH A . N 8 HOH 90 783 103 HOH HOH A . N 8 HOH 91 784 104 HOH HOH A . N 8 HOH 92 785 107 HOH HOH A . N 8 HOH 93 786 109 HOH HOH A . N 8 HOH 94 787 110 HOH HOH A . N 8 HOH 95 788 111 HOH HOH A . N 8 HOH 96 789 112 HOH HOH A . N 8 HOH 97 790 113 HOH HOH A . N 8 HOH 98 791 114 HOH HOH A . N 8 HOH 99 792 115 HOH HOH A . N 8 HOH 100 793 116 HOH HOH A . N 8 HOH 101 794 117 HOH HOH A . N 8 HOH 102 795 121 HOH HOH A . N 8 HOH 103 796 122 HOH HOH A . N 8 HOH 104 797 123 HOH HOH A . N 8 HOH 105 798 128 HOH HOH A . N 8 HOH 106 799 129 HOH HOH A . N 8 HOH 107 800 130 HOH HOH A . N 8 HOH 108 801 133 HOH HOH A . N 8 HOH 109 802 135 HOH HOH A . N 8 HOH 110 803 136 HOH HOH A . N 8 HOH 111 804 140 HOH HOH A . N 8 HOH 112 805 141 HOH HOH A . N 8 HOH 113 806 143 HOH HOH A . N 8 HOH 114 807 144 HOH HOH A . N 8 HOH 115 808 145 HOH HOH A . N 8 HOH 116 809 146 HOH HOH A . N 8 HOH 117 810 148 HOH HOH A . N 8 HOH 118 811 150 HOH HOH A . N 8 HOH 119 812 151 HOH HOH A . N 8 HOH 120 813 154 HOH HOH A . N 8 HOH 121 814 155 HOH HOH A . N 8 HOH 122 815 159 HOH HOH A . N 8 HOH 123 816 164 HOH HOH A . N 8 HOH 124 817 168 HOH HOH A . N 8 HOH 125 818 169 HOH HOH A . N 8 HOH 126 819 176 HOH HOH A . N 8 HOH 127 820 178 HOH HOH A . N 8 HOH 128 821 179 HOH HOH A . N 8 HOH 129 822 180 HOH HOH A . N 8 HOH 130 823 185 HOH HOH A . N 8 HOH 131 824 186 HOH HOH A . N 8 HOH 132 825 188 HOH HOH A . N 8 HOH 133 826 189 HOH HOH A . N 8 HOH 134 827 192 HOH HOH A . N 8 HOH 135 828 201 HOH HOH A . N 8 HOH 136 829 208 HOH HOH A . N 8 HOH 137 830 210 HOH HOH A . N 8 HOH 138 831 217 HOH HOH A . N 8 HOH 139 832 218 HOH HOH A . N 8 HOH 140 833 232 HOH HOH A . N 8 HOH 141 834 244 HOH HOH A . #