data_3K0V # _entry.id 3K0V # _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 3K0V RCSB RCSB055404 WWPDB D_1000055404 # 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 3IBO . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3K0V _pdbx_database_status.recvd_initial_deposition_date 2009-09-25 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Vikram, G.' 2 'Sinha, M.' 3 'Singh, N.' 4 'Sharma, S.' 5 'Kaur, P.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title ;Specific interactions of C-terminal half (C-lobe) of lactoferrin protein with edible sugars: binding and structural studies with implications on diabetes. ; _citation.journal_abbrev Int.J.Biol.Macromol. _citation.journal_volume 47 _citation.page_first 50 _citation.page_last 59 _citation.year 2010 _citation.journal_id_ASTM IJBMDR _citation.country UK _citation.journal_id_ISSN 0141-8130 _citation.journal_id_CSD 0708 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20371371 _citation.pdbx_database_id_DOI 10.1016/j.ijbiomac.2010.03.021 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mir, R.' 1 primary 'Kumar, R.P.' 2 primary 'Singh, N.' 3 primary 'Vikram, G.P.' 4 primary 'Sinha, M.' 5 primary 'Bhushan, A.' 6 primary 'Kaur, P.' 7 primary 'Srinivasan, A.' 8 primary 'Sharma, S.' 9 primary 'Singh, T.P.' 10 # _cell.entry_id 3K0V _cell.length_a 61.810 _cell.length_b 50.134 _cell.length_c 65.545 _cell.angle_alpha 90.00 _cell.angle_beta 107.10 _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 3K0V _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.- ? ? ? 2 non-polymer syn 'beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose' 504.437 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 8 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 9 water nat water 18.015 415 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # _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 'bovine,cow,domestic cattle,domestic cow' _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 ? _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 3K0V _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 3K0V LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3K0V 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DXI non-polymer . 'beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose' ? 'C18 H32 O16' 504.437 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3K0V _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.58 _exptl_crystal.density_percent_sol 52.28 _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 '0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl 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 2009-04-21 _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 3K0V _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 62.62 _reflns.d_resolution_high 1.91 _reflns.number_obs 29538 _reflns.number_all 29538 _reflns.percent_possible_obs 96.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.058 _reflns.pdbx_netI_over_sigmaI 7.1 _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 1.91 _reflns_shell.d_res_low 1.96 _reflns_shell.percent_possible_all 99.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.104 _reflns_shell.meanI_over_sigI_obs 2.5 _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 3K0V _refine.ls_number_reflns_obs 26864 _refine.ls_number_reflns_all 28296 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 62 _refine.ls_d_res_high 1.91 _refine.ls_percent_reflns_obs 94.54 _refine.ls_R_factor_obs 0.20884 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.20677 _refine.ls_R_factor_R_free 0.23685 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1432 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.922 _refine.correlation_coeff_Fo_to_Fc_free 0.886 _refine.B_iso_mean 25.247 _refine.aniso_B[1][1] 1.06 _refine.aniso_B[2][2] -0.93 _refine.aniso_B[3][3] -0.50 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.62 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'pdb entry 3IBO' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.195 _refine.pdbx_overall_ESU_R_Free 0.168 _refine.overall_SU_ML 0.111 _refine.overall_SU_B 3.676 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_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 152 _refine_hist.number_atoms_solvent 415 _refine_hist.number_atoms_total 3171 _refine_hist.d_res_high 1.91 _refine_hist.d_res_low 62 # 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 0.009 0.022 ? 2819 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.280 2.011 ? 3838 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.889 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.332 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.642 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 19.535 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.086 0.200 ? 453 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2033 'X-RAY DIFFRACTION' ? r_nbd_refined 0.202 0.200 ? 1397 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.303 0.200 ? 1920 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.128 0.200 ? 360 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.034 0.200 ? 1 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.279 0.200 ? 60 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.292 0.200 ? 28 'X-RAY DIFFRACTION' ? r_mcbond_it 0.681 1.500 ? 1738 'X-RAY DIFFRACTION' ? r_mcangle_it 1.170 2.000 ? 2699 'X-RAY DIFFRACTION' ? r_scbond_it 1.579 3.000 ? 1212 'X-RAY DIFFRACTION' ? r_scangle_it 2.510 4.500 ? 1139 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.91 _refine_ls_shell.d_res_low 1.962 _refine_ls_shell.number_reflns_R_work 1694 _refine_ls_shell.R_factor_R_work 0.254 _refine_ls_shell.percent_reflns_obs 80.75 _refine_ls_shell.R_factor_R_free 0.370 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 85 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3K0V _struct.title ;Removal of sugars and sugars-like molecules from the solution by C-lobe of lactoferrin: Crystal structure of the complex of C-lobe with beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose at 1.9 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 3K0V _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text ;COMPLEX, DEXTRIN, C-LOBE, Antibiotic, Antimicrobial, Disulfide bond, Glycoprotein, Hydrolase, Ion transport, Iron, Iron transport, Metal-binding, Phosphoprotein, Protease, Secreted, Serine protease, Transport ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 3 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 6 ? M N N 6 ? N N N 7 ? O N N 8 ? P N N 9 ? # _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 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 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 332 ? GLY A 662 LYS A 673 1 ? 12 # _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 ? ? ? ? ? ? ? 2.146 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.038 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.176 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.028 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 1.932 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.031 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.147 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.047 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.447 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 N FE . FE ? ? A ASP 395 A FE 84 1_555 ? ? ? ? ? ? ? 2.119 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 N FE . FE ? ? A TYR 433 A FE 84 1_555 ? ? ? ? ? ? ? 2.003 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.444 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 N FE . FE ? ? A TYR 526 A FE 84 1_555 ? ? ? ? ? ? ? 2.027 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.442 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 M ZN . ZN ? ? A HIS 588 A ZN 82 1_555 ? ? ? ? ? ? ? 2.068 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 N FE . FE ? ? A HIS 595 A FE 84 1_555 ? ? ? ? ? ? ? 2.265 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 L ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.231 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 L ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.285 ? covale4 covale ? ? D NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 687 A NAG 2 1_555 ? ? ? ? ? ? ? 1.451 ? covale5 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.441 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G MAN . C1 ? ? A NAG 4 A MAN 5 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.447 ? covale8 covale ? ? I NAG . O4 ? ? ? 1_555 J MAN . C1 ? ? A NAG 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.445 ? metalc8 metalc ? ? M ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 82 A HOH 1240 1_555 ? ? ? ? ? ? ? 2.341 ? metalc9 metalc ? ? M ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 82 A HOH 893 1_555 ? ? ? ? ? ? ? 1.987 ? metalc10 metalc ? ? N FE . FE ? ? ? 1_555 O CO3 . O2 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.151 ? metalc11 metalc ? ? N FE . FE ? ? ? 1_555 O CO3 . O1 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.177 ? # 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 ? SER A 258 ? ALA A 596 SER A 599 B 3 VAL A 67 ? ARG A 74 ? VAL A 408 ARG A 415 B 4 THR A 304 ? LYS A 309 ? THR A 645 LYS A 650 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 VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N ALA A 96 ? N ALA A 437 O LEU A 231 ? O LEU A 572 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE DXI A 1' AC2 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 687' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 2' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 3' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 4' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 5' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 8' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 9' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 10' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 68' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 81' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN A 82' BC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 84' BC5 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 85' # 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 12 GLU A 90 ? GLU A 431 . ? 1_555 ? 2 AC1 12 VAL A 250 ? VAL A 591 . ? 1_555 ? 3 AC1 12 ALA A 251 ? ALA A 592 . ? 1_555 ? 4 AC1 12 PRO A 252 ? PRO A 593 . ? 1_555 ? 5 AC1 12 GLU A 318 ? GLU A 659 . ? 1_555 ? 6 AC1 12 TYR A 319 ? TYR A 660 . ? 1_555 ? 7 AC1 12 GLY A 321 ? GLY A 662 . ? 1_555 ? 8 AC1 12 THR A 322 ? THR A 663 . ? 1_555 ? 9 AC1 12 GLU A 323 ? GLU A 664 . ? 1_555 ? 10 AC1 12 HOH P . ? HOH A 1115 . ? 1_555 ? 11 AC1 12 HOH P . ? HOH A 1209 . ? 1_555 ? 12 AC1 12 HOH P . ? HOH A 1288 . ? 1_555 ? 13 AC2 10 NAG C . ? NAG A 2 . ? 1_555 ? 14 AC2 10 SER A 24 ? SER A 365 . ? 1_555 ? 15 AC2 10 ASN A 27 ? ASN A 368 . ? 1_555 ? 16 AC2 10 HIS A 272 ? HIS A 613 . ? 1_555 ? 17 AC2 10 GLN A 273 ? GLN A 614 . ? 1_555 ? 18 AC2 10 LEU A 276 ? LEU A 617 . ? 1_555 ? 19 AC2 10 HOH P . ? HOH A 908 . ? 1_555 ? 20 AC2 10 HOH P . ? HOH A 972 . ? 1_555 ? 21 AC2 10 HOH P . ? HOH A 1074 . ? 1_555 ? 22 AC2 10 HOH P . ? HOH A 1113 . ? 1_555 ? 23 AC3 2 NAG D . ? NAG A 687 . ? 1_555 ? 24 AC3 2 HOH P . ? HOH A 908 . ? 1_555 ? 25 AC4 8 NAG F . ? NAG A 4 . ? 1_555 ? 26 AC4 8 ASN A 135 ? ASN A 476 . ? 1_555 ? 27 AC4 8 ASN A 330 ? ASN A 671 . ? 1_555 ? 28 AC4 8 HOH P . ? HOH A 939 . ? 1_555 ? 29 AC4 8 HOH P . ? HOH A 1107 . ? 1_555 ? 30 AC4 8 HOH P . ? HOH A 1114 . ? 1_555 ? 31 AC4 8 HOH P . ? HOH A 1181 . ? 1_555 ? 32 AC4 8 HOH P . ? HOH A 1248 . ? 1_555 ? 33 AC5 3 NAG E . ? NAG A 3 . ? 1_555 ? 34 AC5 3 MAN G . ? MAN A 5 . ? 1_555 ? 35 AC5 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 36 AC6 3 NAG F . ? NAG A 4 . ? 1_555 ? 37 AC6 3 HOH P . ? HOH A 1065 . ? 1_555 ? 38 AC6 3 HOH P . ? HOH A 1150 . ? 1_555 ? 39 AC7 6 NAG I . ? NAG A 9 . ? 1_555 ? 40 AC7 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 41 AC7 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 42 AC7 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 43 AC7 6 HOH P . ? HOH A 1210 . ? 1_555 ? 44 AC7 6 HOH P . ? HOH A 1215 . ? 1_555 ? 45 AC8 5 NAG H . ? NAG A 8 . ? 1_555 ? 46 AC8 5 MAN J . ? MAN A 10 . ? 1_555 ? 47 AC8 5 TRP A 208 ? TRP A 549 . ? 1_555 ? 48 AC8 5 GLU A 214 ? GLU A 555 . ? 1_555 ? 49 AC8 5 HOH P . ? HOH A 1073 . ? 1_555 ? 50 AC9 3 NAG I . ? NAG A 9 . ? 1_555 ? 51 AC9 3 LYS A 75 ? LYS A 416 . ? 1_555 ? 52 AC9 3 HOH P . ? HOH A 1233 . ? 1_555 ? 53 BC1 6 ARG A 229 ? ARG A 570 . ? 1_555 ? 54 BC1 6 ARG A 237 ? ARG A 578 . ? 1_555 ? 55 BC1 6 HOH P . ? HOH A 944 . ? 1_555 ? 56 BC1 6 HOH P . ? HOH A 957 . ? 1_555 ? 57 BC1 6 HOH P . ? HOH A 1070 . ? 1_555 ? 58 BC1 6 HOH P . ? HOH A 1241 . ? 1_555 ? 59 BC2 2 GLY A 312 ? GLY A 653 . ? 1_555 ? 60 BC2 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 61 BC3 3 HIS A 247 ? HIS A 588 . ? 1_555 ? 62 BC3 3 HOH P . ? HOH A 893 . ? 1_555 ? 63 BC3 3 HOH P . ? HOH A 1240 . ? 1_555 ? 64 BC4 5 CO3 O . ? CO3 A 85 . ? 1_555 ? 65 BC4 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 66 BC4 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 67 BC4 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 68 BC4 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 69 BC5 10 FE N . ? FE A 84 . ? 1_555 ? 70 BC5 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 71 BC5 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 72 BC5 10 THR A 118 ? THR A 459 . ? 1_555 ? 73 BC5 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 74 BC5 10 THR A 123 ? THR A 464 . ? 1_555 ? 75 BC5 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 76 BC5 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 77 BC5 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 78 BC5 10 HIS A 254 ? HIS A 595 . ? 1_555 ? # _database_PDB_matrix.entry_id 3K0V _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 3K0V _atom_sites.fract_transf_matrix[1][1] 0.016179 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004977 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019947 _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] 0.015962 _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 ? 8.850 13.314 31.217 1.00 40.61 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 7.486 12.991 30.705 1.00 40.21 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 7.530 12.185 29.408 1.00 39.26 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 6.588 11.454 29.099 1.00 39.07 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 6.679 14.273 30.468 1.00 40.79 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 6.499 15.151 31.688 1.00 41.90 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 7.292 16.282 31.878 1.00 42.19 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 5.527 14.859 32.646 1.00 42.09 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 7.128 17.098 32.994 1.00 42.69 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 5.355 15.668 33.766 1.00 42.46 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 6.158 16.784 33.933 1.00 42.61 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 5.993 17.587 35.038 1.00 42.88 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 8.632 12.316 28.670 1.00 38.01 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 8.739 11.826 27.287 1.00 36.66 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 8.779 10.295 27.115 1.00 34.92 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 9.757 9.735 26.606 1.00 35.68 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 9.907 12.530 26.517 1.00 36.97 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 10.032 11.974 25.200 1.00 37.79 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 11.239 12.395 27.264 1.00 37.20 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.699 9.633 27.532 1.00 32.57 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 7.527 8.194 27.326 1.00 30.30 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 6.048 7.814 27.422 1.00 27.69 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 5.453 7.858 28.502 1.00 26.89 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 8.365 7.390 28.328 1.00 31.24 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 9.092 6.209 27.706 1.00 33.84 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 10.266 5.769 28.566 1.00 37.88 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 11.345 5.189 27.767 1.00 40.25 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 12.365 5.878 27.260 1.00 41.59 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 12.462 7.187 27.462 1.00 42.48 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 13.295 5.256 26.548 1.00 42.97 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 5.465 7.452 26.281 1.00 24.88 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 4.038 7.132 26.190 1.00 22.20 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.800 5.627 26.315 1.00 20.40 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 4.452 4.830 25.640 1.00 19.58 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 3.415 7.662 24.866 1.00 22.18 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 1.926 7.332 24.785 1.00 22.74 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 3.625 9.163 24.734 1.00 22.85 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 2.865 5.250 27.184 1.00 18.36 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 2.482 3.851 27.363 1.00 16.92 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 1.176 3.575 26.614 1.00 15.99 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 0.099 3.988 27.049 1.00 14.90 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 2.331 3.475 28.863 1.00 17.04 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 2.112 1.973 29.024 1.00 17.51 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 3.553 3.919 29.660 1.00 16.46 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 1.283 2.879 25.485 1.00 15.08 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 0.124 2.576 24.649 1.00 14.95 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -0.543 1.273 25.076 1.00 15.16 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 0.134 0.271 25.315 1.00 15.05 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 0.531 2.501 23.177 1.00 14.81 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -0.610 2.718 22.235 1.00 14.46 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -1.364 1.759 21.624 1.00 15.01 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.133 3.978 21.799 1.00 14.04 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -2.323 2.343 20.832 1.00 14.24 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -2.204 3.705 20.921 1.00 14.18 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -0.799 5.313 22.065 1.00 14.53 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.945 4.717 20.306 1.00 14.24 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.538 6.319 21.454 1.00 14.85 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -2.597 6.013 20.582 1.00 15.32 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -1.871 1.293 25.170 1.00 15.05 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -2.632 0.108 25.562 1.00 14.79 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.117 -0.666 24.340 1.00 15.00 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -3.768 -0.107 23.454 1.00 14.20 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -3.811 0.484 26.462 1.00 14.92 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.382 -0.866 27.526 1.00 14.72 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -2.787 -1.955 24.304 1.00 14.65 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.167 -2.831 23.201 1.00 14.96 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.211 -3.852 23.643 1.00 14.95 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -4.080 -4.470 24.702 1.00 14.92 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -1.941 -3.530 22.634 1.00 14.93 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.245 -4.018 22.822 1.00 14.65 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.320 -4.968 23.098 1.00 14.81 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -6.063 -6.275 22.347 1.00 14.80 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.169 -6.328 21.119 1.00 14.56 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -7.712 -4.391 22.723 1.00 14.55 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -8.823 -5.367 23.097 1.00 15.96 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -7.938 -3.044 23.399 1.00 14.58 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -5.662 -7.291 23.219 1.00 14.82 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -5.476 -8.658 22.718 1.00 15.34 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.056 -8.844 22.203 1.00 15.35 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.336 -7.863 22.034 1.00 15.54 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -3.643 -10.101 21.952 1.00 16.14 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.238 -10.394 21.586 1.00 16.59 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -1.771 -9.872 20.224 1.00 16.82 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -0.573 -9.611 20.055 1.00 16.61 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -2.186 -11.922 21.611 1.00 16.91 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -3.589 -12.340 21.295 1.00 17.38 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -4.448 -11.335 22.030 1.00 16.02 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -2.689 -9.733 19.264 1.00 16.91 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.321 -9.272 17.916 1.00 17.44 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -1.949 -7.791 17.926 1.00 16.71 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -0.917 -7.395 17.350 1.00 16.34 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -3.424 -9.568 16.888 1.00 17.42 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -3.615 -11.067 16.582 1.00 18.95 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -4.595 -11.335 15.450 1.00 19.93 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -5.575 -10.576 15.287 1.00 23.11 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.385 -12.321 14.709 1.00 25.42 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -2.771 -6.973 18.594 1.00 16.05 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -2.446 -5.564 18.812 1.00 15.83 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.153 -5.430 19.625 1.00 16.51 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.349 -4.534 19.359 1.00 16.17 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -3.600 -4.823 19.517 1.00 15.99 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -4.805 -4.551 18.618 1.00 14.84 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -5.648 -3.356 19.057 1.00 14.90 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -5.496 -2.878 20.199 1.00 13.29 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.470 -2.892 18.245 1.00 14.31 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -0.965 -6.309 20.613 1.00 16.90 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 0.269 -6.307 21.419 1.00 18.13 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 1.502 -6.480 20.527 1.00 17.48 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 2.475 -5.766 20.693 1.00 17.43 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 0.259 -7.391 22.503 1.00 18.02 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.569 -7.457 23.306 1.00 19.36 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.668 -8.656 24.231 1.00 21.05 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 1.315 -9.785 23.861 1.00 27.72 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 2.174 -8.424 25.445 1.00 24.60 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 1.443 -7.428 19.592 1.00 17.81 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 2.559 -7.691 18.677 1.00 18.27 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.907 -6.460 17.838 1.00 18.11 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 4.076 -6.064 17.774 1.00 18.57 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 2.268 -8.912 17.796 1.00 18.89 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 3.362 -9.215 16.778 1.00 20.98 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 3.438 -10.696 16.438 1.00 25.64 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 2.971 -10.968 15.027 1.00 27.97 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 3.218 -12.390 14.633 1.00 29.97 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.893 -5.845 17.221 1.00 17.42 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 2.071 -4.609 16.455 1.00 17.05 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 2.649 -3.479 17.306 1.00 16.85 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 3.556 -2.758 16.859 1.00 17.21 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.752 -4.157 15.819 1.00 16.56 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.854 -2.829 15.084 1.00 15.44 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -0.343 -2.559 14.216 1.00 14.61 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.290 -1.136 13.658 1.00 14.15 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -1.430 -0.848 12.753 1.00 13.56 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 2.111 -3.322 18.512 1.00 16.70 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.568 -2.307 19.449 1.00 16.88 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 4.043 -2.513 19.771 1.00 16.60 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.799 -1.548 19.823 1.00 16.53 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.739 -2.332 20.745 1.00 16.99 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 2.117 -0.990 21.909 1.00 18.24 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 4.436 -3.763 20.015 0.50 16.19 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.837 -4.089 20.311 0.50 16.90 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.771 -3.670 19.171 0.50 17.05 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.869 -3.175 19.410 0.50 16.84 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 5.997 -5.582 20.625 0.50 16.39 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.476 -5.990 22.003 0.50 16.94 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.384 -7.501 22.194 0.50 17.48 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.670 -8.281 21.281 0.50 19.50 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 4.982 -7.919 23.390 0.50 18.76 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 6.312 -3.865 17.937 1.00 18.22 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 7.059 -3.474 16.736 1.00 19.14 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 7.225 -1.962 16.674 1.00 19.30 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 8.319 -1.458 16.407 1.00 18.75 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 6.335 -3.941 15.474 1.00 19.52 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.559 -5.387 15.100 1.00 23.01 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 5.863 -5.742 13.809 1.00 28.38 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 6.439 -5.617 12.726 1.00 31.50 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 4.613 -6.177 13.910 1.00 28.83 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 6.118 -1.253 16.900 1.00 18.93 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 6.098 0.204 16.995 1.00 19.16 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 7.071 0.683 18.071 1.00 19.98 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.853 1.615 17.834 1.00 19.27 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.663 0.676 17.294 1.00 18.59 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 4.449 2.164 17.348 1.00 18.46 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 5.270 3.144 16.854 1.00 17.77 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 3.312 2.836 17.903 1.00 17.40 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.725 4.386 17.096 1.00 17.79 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 3.518 4.223 17.731 1.00 17.66 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 2.137 2.397 18.537 1.00 17.77 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.594 5.177 18.158 1.00 18.17 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 1.216 3.354 18.971 1.00 17.96 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 1.455 4.728 18.776 1.00 18.21 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 7.019 0.038 19.242 1.00 20.82 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.903 0.367 20.372 1.00 22.09 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 9.393 0.277 20.005 1.00 23.17 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 10.157 1.211 20.282 1.00 22.83 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 7.597 -0.522 21.587 1.00 21.77 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 8.349 -0.109 22.720 1.00 21.84 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.793 -0.843 19.396 1.00 24.34 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 11.177 -1.023 18.935 1.00 25.88 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 11.577 0.079 17.955 1.00 25.58 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 12.620 0.713 18.119 1.00 25.30 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 11.396 -2.404 18.294 1.00 26.14 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 12.749 -2.511 17.541 1.00 28.33 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 13.109 -3.913 17.069 1.00 28.73 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 12.244 -4.759 16.844 1.00 33.48 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 14.410 -4.157 16.899 1.00 32.88 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.728 0.324 16.958 1.00 25.20 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 11.028 1.308 15.923 1.00 25.07 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 11.045 2.748 16.428 1.00 24.69 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 11.770 3.581 15.884 1.00 23.79 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 10.083 1.149 14.727 1.00 25.43 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 10.195 -0.216 14.033 1.00 27.19 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 11.586 -0.470 13.470 1.00 30.48 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 12.159 0.391 12.807 1.00 32.17 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 12.141 -1.649 13.753 1.00 31.65 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 10.257 3.037 17.464 1.00 23.95 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 10.208 4.382 18.040 1.00 24.04 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 11.367 4.680 19.002 1.00 24.17 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 11.437 5.780 19.557 1.00 24.19 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.886 4.603 18.780 1.00 23.86 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.948 4.030 20.071 1.00 23.29 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 12.249 3.702 19.209 1.00 24.65 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 13.357 3.834 20.164 1.00 25.46 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.861 3.968 21.596 1.00 26.14 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 13.407 4.741 22.382 1.00 25.90 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.809 3.211 21.919 1.00 26.37 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 11.172 3.201 23.249 1.00 26.89 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 10.465 4.497 23.649 1.00 25.90 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 10.063 4.635 24.803 1.00 26.50 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 12.156 2.781 24.352 1.00 27.44 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 12.933 1.492 24.078 1.00 30.96 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 12.056 0.258 24.056 1.00 34.48 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 12.066 -0.496 23.083 1.00 37.04 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 11.290 0.043 25.126 1.00 35.79 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 10.300 5.433 22.713 1.00 24.96 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 9.491 6.635 22.957 1.00 24.44 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 8.038 6.257 23.206 1.00 23.33 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 7.291 6.996 23.852 1.00 22.91 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 9.553 7.614 21.781 1.00 24.65 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.872 8.387 21.716 1.00 27.66 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 11.692 8.322 22.640 1.00 27.70 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 11.076 9.111 20.600 1.00 31.07 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.650 5.120 22.638 1.00 22.13 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 6.355 4.500 22.885 1.00 21.26 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 6.649 3.115 23.443 1.00 20.79 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 7.558 2.418 22.962 1.00 20.58 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 5.491 4.403 21.592 1.00 21.14 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 4.219 3.560 21.840 1.00 21.37 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 5.109 5.799 21.084 1.00 21.40 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.921 2.737 24.489 1.00 20.00 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 5.989 1.387 25.029 1.00 19.53 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 4.580 0.838 25.150 1.00 19.32 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 3.618 1.542 24.861 1.00 18.70 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.713 1.327 26.385 1.00 19.77 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 5.995 2.109 27.347 1.00 19.18 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 8.159 1.841 26.241 1.00 19.55 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 4.467 -0.416 25.573 1.00 19.38 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 3.221 -1.151 25.437 1.00 19.77 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 2.708 -1.764 26.733 1.00 19.68 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 3.450 -2.414 27.476 1.00 20.77 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 3.369 -2.235 24.368 1.00 19.95 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.861 -1.583 22.782 1.00 20.66 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 1.437 -1.501 27.006 1.00 18.94 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 0.669 -2.248 27.990 1.00 18.29 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -0.376 -3.006 27.184 1.00 18.07 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -0.757 -2.556 26.091 1.00 17.37 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 0.017 -1.307 28.982 1.00 17.92 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -0.827 -4.154 27.689 1.00 17.61 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -1.841 -4.942 26.980 1.00 17.63 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -2.932 -5.444 27.925 1.00 17.16 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -2.656 -5.774 29.079 1.00 16.93 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.209 -6.114 26.194 1.00 18.08 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? -0.115 -5.615 25.407 1.00 20.95 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.225 -6.746 25.257 1.00 17.07 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.169 -5.477 27.425 1.00 16.42 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.317 -6.014 28.175 1.00 15.96 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.205 -6.837 27.243 1.00 15.62 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -6.068 -6.755 26.022 1.00 15.13 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -6.118 -4.872 28.821 1.00 16.18 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.121 -7.617 27.819 1.00 15.60 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -7.969 -8.522 27.027 1.00 15.25 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.116 -7.815 26.310 1.00 14.52 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -9.601 -8.285 25.276 1.00 13.96 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.523 -9.648 27.906 1.00 15.55 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -7.521 -10.622 28.148 1.00 17.99 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -9.565 -6.697 26.866 1.00 13.80 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -10.698 -5.984 26.294 1.00 13.21 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.454 -4.480 26.288 1.00 13.15 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -9.586 -3.981 27.016 1.00 13.09 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -12.011 -6.284 27.064 1.00 13.23 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -11.986 -5.604 28.330 1.00 13.25 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -12.190 -7.800 27.290 1.00 12.53 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.229 -3.760 25.476 1.00 12.29 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.110 -2.306 25.430 1.00 12.23 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -11.432 -1.700 26.804 1.00 11.88 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -10.701 -0.820 27.291 1.00 11.17 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -11.980 -1.680 24.318 1.00 11.88 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -11.639 -2.271 23.057 1.00 12.84 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -11.742 -0.155 24.223 1.00 12.88 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -12.503 -2.182 27.438 1.00 11.64 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -12.838 -1.740 28.794 1.00 12.27 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -11.687 -1.898 29.783 1.00 11.76 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -11.423 -1.005 30.588 1.00 11.15 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.086 -2.470 29.307 1.00 12.75 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.365 -1.904 28.736 1.00 14.06 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -15.299 -0.937 27.950 1.00 15.60 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.448 -2.423 29.077 1.00 16.83 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -10.997 -3.033 29.720 1.00 12.23 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -9.833 -3.269 30.579 1.00 12.65 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -8.700 -2.269 30.286 1.00 12.64 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -8.043 -1.786 31.217 1.00 12.74 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.331 -4.708 30.440 1.00 12.74 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -10.224 -5.731 31.147 1.00 14.61 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -11.257 -5.366 31.733 1.00 15.39 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -9.868 -6.922 31.113 1.00 17.18 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -8.478 -1.962 29.004 1.00 12.58 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -7.527 -0.907 28.613 1.00 12.77 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -7.891 0.477 29.169 1.00 12.31 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -7.028 1.202 29.653 1.00 13.13 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.343 -0.849 27.083 1.00 12.71 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -5.943 -1.830 26.412 1.00 12.76 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.164 0.851 29.090 1.00 12.30 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -9.633 2.102 29.690 1.00 11.87 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.329 2.143 31.198 1.00 12.40 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -8.859 3.161 31.707 1.00 12.70 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.144 2.347 29.398 1.00 12.36 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -11.362 2.537 27.887 1.00 11.14 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -11.663 3.571 30.171 1.00 11.13 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -12.834 2.484 27.455 1.00 11.19 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.568 1.027 31.891 1.00 11.86 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.224 0.894 33.319 1.00 11.92 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -7.704 1.100 33.562 1.00 11.77 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.310 1.869 34.450 1.00 11.70 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -9.786 -0.431 33.903 1.00 11.52 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -9.186 -0.755 35.266 1.00 11.89 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.318 -0.325 34.029 1.00 11.52 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -6.857 0.475 32.743 1.00 11.06 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.403 0.712 32.864 1.00 11.02 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -5.051 2.194 32.737 1.00 10.94 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.235 2.713 33.507 1.00 11.05 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -4.604 -0.112 31.863 1.00 10.50 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.559 -1.634 32.060 1.00 10.63 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -3.591 -2.254 31.061 1.00 10.02 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -4.147 -1.988 33.509 1.00 10.34 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -5.660 2.868 31.766 1.00 11.07 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -5.454 4.308 31.601 1.00 11.56 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -5.946 5.069 32.848 1.00 12.01 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.221 5.907 33.384 1.00 11.89 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.063 4.850 30.271 1.00 11.59 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -5.845 6.355 30.149 1.00 10.87 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -5.424 4.156 29.075 1.00 9.72 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.151 4.752 33.332 1.00 12.35 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -7.683 5.387 34.556 1.00 12.58 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -6.765 5.206 35.770 1.00 13.04 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.595 6.128 36.572 1.00 13.30 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -9.109 4.882 34.880 1.00 12.75 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.217 5.156 33.853 1.00 13.61 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.481 4.354 34.193 1.00 13.66 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.529 6.655 33.711 1.00 14.36 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -6.164 4.028 35.896 1.00 13.38 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -5.195 3.763 36.977 1.00 13.97 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -3.833 4.443 36.773 1.00 13.96 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -3.033 4.509 37.699 1.00 14.62 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -4.977 2.257 37.157 1.00 13.39 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.202 1.470 37.658 1.00 13.55 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -5.785 0.075 38.117 1.00 13.92 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -5.419 -0.839 36.949 1.00 12.99 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -4.881 -2.154 37.433 1.00 15.18 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.584 4.943 35.566 1.00 14.65 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.301 5.551 35.217 1.00 14.87 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -1.238 4.528 34.846 1.00 15.01 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? -0.046 4.841 34.868 1.00 15.33 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -1.672 3.307 34.515 1.00 14.50 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -0.762 2.206 34.150 1.00 14.18 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -0.592 2.086 32.639 1.00 14.29 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 0.227 1.295 32.137 1.00 14.06 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.226 0.883 34.785 1.00 14.34 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -1.024 0.849 36.304 1.00 13.93 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -1.879 -0.196 36.979 1.00 15.77 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.389 0.071 38.089 1.00 16.43 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -2.050 -1.292 36.399 1.00 15.57 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.389 2.870 31.913 1.00 13.39 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.130 3.174 30.519 1.00 12.68 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -1.531 4.623 30.266 1.00 12.33 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.223 5.235 31.089 1.00 11.31 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -1.893 2.247 29.602 1.00 13.48 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -1.099 5.176 29.134 1.00 11.14 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -1.403 6.574 28.823 1.00 11.77 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -2.575 6.765 27.887 1.00 11.38 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -3.367 7.694 28.059 1.00 11.92 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.195 7.269 28.187 1.00 11.32 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 0.897 7.572 29.187 1.00 12.86 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 0.598 7.987 30.329 1.00 11.86 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 2.062 7.398 28.811 1.00 14.83 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -2.663 5.927 26.862 1.00 11.42 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -3.594 6.218 25.770 1.00 11.11 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -3.907 5.008 24.924 1.00 10.76 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.175 4.028 24.934 1.00 11.41 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.033 7.337 24.883 1.00 11.01 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.015 5.099 24.193 1.00 10.96 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -5.353 4.170 23.120 1.00 11.11 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -6.414 4.821 22.229 1.00 11.65 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.091 5.789 22.628 1.00 11.72 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -5.820 2.799 23.658 1.00 11.21 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -7.239 2.652 24.237 1.00 10.41 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -7.681 1.179 24.277 1.00 10.14 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -7.334 3.255 25.640 1.00 9.97 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -6.538 4.293 21.018 1.00 12.07 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -7.459 4.804 20.024 1.00 12.97 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -8.755 3.995 20.102 1.00 13.16 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -8.712 2.762 20.161 1.00 13.89 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -6.791 4.677 18.650 1.00 13.34 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -7.652 5.195 17.517 1.00 14.87 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -7.946 6.382 17.441 1.00 18.05 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -8.016 4.311 16.604 1.00 16.49 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -9.897 4.686 20.106 1.00 13.36 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.177 4.073 20.489 1.00 13.45 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -12.340 4.407 19.561 1.00 13.32 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -12.508 5.566 19.178 1.00 12.89 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -11.591 4.586 21.873 1.00 14.00 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -10.838 4.300 23.171 1.00 14.84 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -11.533 5.044 24.285 1.00 16.76 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -10.841 2.838 23.465 1.00 14.93 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.191 3.413 19.279 1.00 13.09 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -14.512 3.673 18.693 1.00 12.97 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -15.322 4.626 19.597 1.00 13.01 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.104 4.665 20.802 1.00 13.32 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.274 2.357 18.491 1.00 12.83 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -16.748 2.574 18.201 1.00 13.42 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.071 2.891 17.037 1.00 14.09 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -17.576 2.461 19.137 1.00 13.49 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.259 5.368 19.015 1.00 12.75 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.106 6.327 19.761 1.00 12.27 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -17.917 5.803 20.945 1.00 11.46 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.096 6.510 21.938 1.00 11.05 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -18.411 4.573 20.839 1.00 11.38 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.073 3.900 21.945 1.00 11.75 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.168 3.752 23.152 1.00 12.42 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -18.597 3.972 24.293 1.00 12.18 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -16.912 3.390 22.891 1.00 12.31 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -15.897 3.293 23.935 1.00 12.97 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -15.452 4.676 24.425 1.00 12.85 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.096 4.833 25.596 1.00 13.51 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -14.686 2.487 23.439 1.00 13.10 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -14.927 1.005 23.124 1.00 13.73 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -15.635 0.171 23.995 1.00 14.61 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -14.388 0.433 21.969 1.00 13.64 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -15.822 -1.200 23.702 1.00 15.17 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -14.554 -0.918 21.673 1.00 14.08 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -15.276 -1.731 22.537 1.00 14.43 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -15.425 -3.065 22.211 1.00 14.37 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -15.458 5.674 23.538 1.00 12.76 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.170 7.061 23.941 1.00 12.84 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.177 7.537 24.990 1.00 13.13 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -15.818 8.232 25.953 1.00 12.95 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.119 8.038 22.732 1.00 12.71 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -13.847 7.784 21.894 1.00 12.50 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.158 9.522 23.198 1.00 13.45 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -13.834 8.464 20.521 1.00 13.08 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -17.427 7.132 24.806 1.00 13.32 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -18.493 7.402 25.778 1.00 14.37 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -18.168 6.795 27.154 1.00 14.53 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -18.223 7.499 28.163 1.00 14.60 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -19.832 6.891 25.247 1.00 15.11 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.005 7.157 26.172 1.00 16.48 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -21.738 8.342 26.078 1.00 18.08 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -21.378 6.222 27.141 1.00 17.15 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -22.825 8.591 26.928 1.00 17.09 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -22.447 6.466 28.003 1.00 17.96 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.162 7.649 27.882 1.00 17.45 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.222 7.873 28.724 1.00 19.76 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -17.816 5.504 27.180 1.00 14.58 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -17.368 4.826 28.408 1.00 14.80 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -16.171 5.538 29.046 1.00 14.62 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -16.188 5.838 30.239 1.00 15.00 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.015 3.332 28.152 1.00 14.71 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -18.176 2.636 27.691 1.00 15.51 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -16.488 2.635 29.422 1.00 14.73 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.137 5.791 28.243 1.00 14.32 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -13.917 6.466 28.702 1.00 13.68 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -14.207 7.878 29.232 1.00 13.60 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -13.666 8.296 30.264 1.00 12.40 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -12.885 6.522 27.561 1.00 13.46 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.078 8.592 28.525 1.00 13.81 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -15.400 9.983 28.846 1.00 14.24 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.187 10.174 30.128 1.00 14.95 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -15.990 11.173 30.844 1.00 14.08 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.080 9.225 30.406 1.00 15.36 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -17.836 9.181 31.655 1.00 16.91 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -16.892 8.996 32.846 1.00 17.21 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.201 9.403 33.972 1.00 16.91 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -18.862 8.044 31.611 1.00 17.51 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.157 8.400 30.891 1.00 20.17 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.184 8.946 31.867 1.00 24.70 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -22.370 9.565 31.152 1.00 27.02 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -23.346 10.106 32.152 1.00 28.91 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -15.729 8.402 32.573 1.00 16.89 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -14.716 8.150 33.595 1.00 17.56 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -13.629 9.226 33.643 1.00 16.47 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -12.651 9.105 34.386 1.00 16.24 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.107 6.759 33.394 1.00 18.01 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.304 5.443 33.589 1.00 23.02 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -13.807 10.278 32.851 1.00 15.77 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -12.942 11.446 32.920 1.00 14.88 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -11.867 11.560 31.853 1.00 14.58 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.193 12.579 31.792 1.00 14.92 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -11.709 10.539 31.008 1.00 14.28 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -10.700 10.581 29.914 1.00 14.15 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.155 11.488 28.762 1.00 14.05 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -12.358 11.608 28.509 1.00 13.77 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -10.391 9.174 29.392 1.00 14.01 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -9.959 8.098 30.401 1.00 14.22 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -9.591 6.797 29.699 1.00 14.65 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -8.799 8.582 31.265 1.00 13.33 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -10.200 12.118 28.074 1.00 13.56 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -10.496 13.164 27.076 1.00 13.84 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.017 12.821 25.652 1.00 13.89 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.020 12.113 25.488 1.00 13.55 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -9.946 14.572 27.516 1.00 14.15 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -10.425 14.935 28.929 1.00 12.89 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -8.403 14.641 27.423 1.00 13.79 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -10.747 13.293 24.618 1.00 14.16 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -10.254 13.079 23.249 1.00 14.26 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -8.993 13.898 22.971 1.00 14.17 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -8.848 15.010 23.474 1.00 13.81 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -11.408 13.555 22.356 1.00 14.79 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -12.285 14.400 23.220 1.00 14.67 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.033 14.022 24.659 1.00 13.95 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.095 13.345 22.165 1.00 13.74 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -6.783 13.956 21.941 1.00 14.32 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -6.517 14.267 20.453 1.00 14.76 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.193 15.409 20.099 1.00 14.66 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -5.673 13.053 22.540 1.00 14.32 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -4.303 13.637 22.282 1.00 15.12 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -5.909 12.875 24.043 1.00 14.43 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -6.661 13.248 19.603 1.00 14.91 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -6.548 13.367 18.136 1.00 15.10 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -7.534 12.366 17.542 1.00 15.42 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -7.827 11.346 18.175 1.00 15.32 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.125 13.030 17.639 1.00 14.71 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -3.902 13.872 18.037 1.00 14.89 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -2.590 13.112 17.775 1.00 14.62 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -3.860 15.240 17.361 1.00 13.93 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.057 12.657 16.349 1.00 15.13 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.033 11.767 15.710 1.00 15.72 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -8.504 11.145 14.428 1.00 16.04 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -7.733 11.783 13.691 1.00 15.40 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.341 12.508 15.427 1.00 15.65 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -8.929 9.907 14.155 1.00 16.80 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -8.673 9.288 12.852 1.00 17.49 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.246 10.159 11.735 1.00 19.13 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -10.395 10.598 11.810 1.00 18.75 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.307 7.899 12.753 1.00 17.28 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -8.600 6.807 13.538 1.00 15.58 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.115 5.422 13.191 1.00 16.25 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.093 5.321 12.423 1.00 15.11 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -8.542 4.427 13.683 1.00 13.64 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -8.442 10.391 10.701 1.00 20.72 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -8.890 11.097 9.505 1.00 23.35 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -8.597 10.211 8.303 1.00 25.13 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -7.441 9.930 8.002 1.00 25.13 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.141 12.435 9.365 1.00 23.47 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.036 13.592 8.928 1.00 24.55 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -8.573 14.734 8.839 1.00 26.98 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -10.310 13.316 8.661 1.00 26.03 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -9.643 9.741 7.637 1.00 27.76 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -9.475 8.970 6.409 1.00 30.32 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -9.375 9.927 5.219 1.00 31.83 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -9.544 11.144 5.370 1.00 32.15 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -10.623 7.970 6.221 1.00 30.18 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -12.003 8.549 6.445 1.00 32.51 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -13.075 7.734 5.740 1.00 35.16 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.382 8.386 5.813 1.00 37.38 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -15.371 8.182 4.944 1.00 38.80 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -16.531 8.817 5.096 1.00 39.19 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -15.204 7.349 3.918 1.00 37.42 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -9.099 9.386 4.037 1.00 33.75 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -9.078 10.213 2.837 1.00 35.92 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -10.476 10.734 2.496 1.00 37.16 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -11.474 10.061 2.756 1.00 37.26 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -8.424 9.464 1.674 1.00 36.15 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -6.903 9.434 1.809 1.00 37.25 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -6.201 8.910 0.572 1.00 39.64 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -5.914 7.418 0.686 1.00 41.43 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -7.007 6.573 0.121 1.00 42.20 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -10.546 11.949 1.956 1.00 39.00 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -11.835 12.562 1.625 1.00 40.69 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -11.838 13.188 0.229 1.00 41.83 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -11.080 12.771 -0.648 1.00 41.97 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -12.211 13.608 2.679 1.00 40.72 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -11.529 14.832 2.448 1.00 41.28 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -12.697 14.191 0.042 1.00 43.18 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -12.799 14.942 -1.212 1.00 44.16 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.184 16.412 -0.973 1.00 44.72 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -13.352 17.186 -1.922 1.00 44.92 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -13.780 14.256 -2.173 1.00 44.07 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -14.955 13.846 -1.496 1.00 44.92 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -13.319 16.788 0.298 1.00 45.37 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -13.517 18.186 0.680 1.00 45.87 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -12.337 18.652 1.539 1.00 45.97 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -11.615 17.821 2.103 1.00 46.00 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -14.838 18.376 1.431 1.00 46.02 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -15.449 19.757 1.239 1.00 46.66 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -15.939 20.357 2.550 1.00 47.95 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -16.356 21.814 2.357 1.00 48.54 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -16.541 22.528 3.655 1.00 48.66 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -12.157 19.974 1.635 1.00 46.10 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -10.983 20.601 2.286 1.00 46.17 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -9.650 20.067 1.749 1.00 45.60 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -8.672 19.942 2.490 1.00 45.60 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -11.045 20.477 3.817 1.00 46.45 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -11.898 21.517 4.477 1.00 47.75 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -12.974 21.198 5.279 1.00 48.92 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -11.836 22.870 4.451 1.00 48.48 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -13.536 22.309 5.720 1.00 49.46 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -12.864 23.338 5.233 1.00 49.32 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -9.625 19.785 0.448 1.00 45.15 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -8.505 19.099 -0.210 1.00 44.57 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.146 19.814 -0.144 1.00 43.77 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.104 19.179 -0.327 1.00 44.08 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -8.871 18.768 -1.663 1.00 44.68 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -9.536 19.854 -2.292 1.00 45.60 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -7.158 21.120 0.116 1.00 42.76 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -5.923 21.911 0.172 1.00 41.55 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -5.202 21.773 1.517 1.00 40.51 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -3.972 21.667 1.564 1.00 40.55 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -6.201 23.389 -0.148 1.00 41.83 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -7.135 23.956 0.760 1.00 42.11 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -5.978 21.771 2.599 1.00 38.89 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -5.450 21.641 3.958 1.00 37.19 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -4.695 20.328 4.173 1.00 35.79 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -5.013 19.305 3.561 1.00 35.60 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -6.584 21.745 4.986 1.00 37.26 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -7.227 23.100 5.296 1.00 37.70 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -8.569 22.893 5.976 1.00 37.43 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -6.321 23.973 6.162 1.00 37.59 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -3.695 20.373 5.049 0.50 33.95 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -2.987 19.176 5.476 0.50 32.35 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -3.956 18.257 6.216 0.50 31.37 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -4.874 18.728 6.891 0.50 30.64 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -1.813 19.545 6.384 0.50 32.28 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -0.844 18.392 6.588 0.50 32.23 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -0.395 17.800 5.583 0.50 32.24 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -0.530 18.080 7.756 0.50 31.65 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -3.751 16.949 6.075 1.00 30.27 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -4.579 15.950 6.757 1.00 29.76 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -4.720 16.230 8.256 1.00 29.85 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -5.809 16.097 8.818 1.00 29.60 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.027 14.539 6.526 1.00 29.40 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -4.964 13.218 7.384 1.00 28.21 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -3.621 16.633 8.892 1.00 30.23 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -3.600 16.892 10.335 1.00 31.12 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -4.517 18.061 10.730 1.00 31.83 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.056 18.096 11.846 1.00 31.48 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.150 17.092 10.847 1.00 31.13 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.125 17.486 12.326 1.00 31.70 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -1.345 15.817 10.637 1.00 30.68 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -4.709 18.990 9.797 1.00 32.69 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -5.520 20.186 10.027 1.00 33.79 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -6.886 20.131 9.335 1.00 34.20 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -7.738 20.999 9.552 1.00 34.54 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -4.751 21.435 9.577 1.00 33.84 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -3.530 21.864 10.394 1.00 34.70 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -2.606 22.733 9.550 1.00 35.14 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -3.945 22.599 11.664 1.00 35.95 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -7.085 19.116 8.499 1.00 34.66 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -8.344 18.925 7.790 1.00 35.14 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -9.435 18.415 8.747 1.00 35.23 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -9.200 17.476 9.506 1.00 35.30 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -8.140 17.938 6.643 1.00 35.24 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -9.321 17.803 5.688 1.00 36.51 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -9.400 16.401 5.121 1.00 37.34 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -8.211 16.049 4.354 1.00 38.35 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -7.667 14.834 4.320 1.00 38.81 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -8.198 13.836 5.016 1.00 38.78 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -6.582 14.619 3.588 1.00 38.70 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -10.633 19.039 8.719 1.00 35.25 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -11.736 18.590 9.587 1.00 35.01 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.224 17.175 9.244 1.00 34.74 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.384 16.845 8.070 1.00 34.82 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -12.844 19.618 9.317 1.00 35.12 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -12.158 20.781 8.646 1.00 35.06 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -11.021 20.196 7.890 1.00 35.25 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -12.442 16.352 10.269 1.00 34.64 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -12.943 14.982 10.085 1.00 34.27 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -14.399 14.966 9.603 1.00 33.90 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -15.182 15.859 9.946 1.00 34.12 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -12.855 14.164 11.382 1.00 34.33 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -13.786 14.688 12.336 1.00 34.72 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -11.431 14.181 11.963 1.00 33.82 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -14.762 13.944 8.826 1.00 32.91 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.091 13.887 8.208 1.00 32.17 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.016 12.788 8.724 1.00 30.83 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.168 12.704 8.304 1.00 31.50 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -15.966 13.786 6.691 1.00 32.67 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -15.665 15.121 6.040 1.00 35.23 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.166 14.982 4.624 1.00 38.32 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -15.740 14.166 3.864 1.00 39.24 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -14.198 15.699 4.277 1.00 40.76 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -16.514 11.939 9.612 1.00 28.91 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -17.334 10.894 10.221 1.00 25.90 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -17.663 9.788 9.239 1.00 24.23 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -17.685 10.005 8.025 1.00 25.20 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -17.941 8.600 9.754 1.00 21.50 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.223 7.475 8.886 1.00 19.08 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -19.691 7.071 8.893 1.00 18.33 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -20.452 7.441 9.790 1.00 18.21 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -17.302 6.288 9.195 1.00 18.01 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -17.336 5.776 10.622 1.00 16.16 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -18.157 4.702 10.976 1.00 15.09 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -16.501 6.322 11.600 1.00 16.56 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -18.170 4.202 12.279 1.00 13.87 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -16.504 5.834 12.913 1.00 15.15 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.340 4.778 13.241 1.00 15.43 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.351 4.288 14.526 1.00 13.23 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.072 6.292 7.886 1.00 17.78 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -21.459 5.891 7.699 1.00 17.16 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -21.762 4.513 8.286 1.00 16.63 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.311 3.491 7.770 1.00 16.23 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -21.828 5.930 6.210 1.00 17.44 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -21.727 7.303 5.533 1.00 18.72 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -21.992 7.186 4.032 1.00 20.13 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -22.686 8.298 6.174 1.00 19.27 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -22.551 4.498 9.357 1.00 15.85 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -22.992 3.253 9.956 1.00 15.35 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.041 2.655 9.020 1.00 14.93 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.005 3.337 8.646 1.00 15.05 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -23.569 3.511 11.336 1.00 15.28 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -23.825 1.408 8.604 1.00 14.20 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -24.749 0.731 7.678 1.00 14.10 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.190 -0.651 8.169 1.00 14.21 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -24.534 -1.258 9.028 1.00 13.95 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.150 0.575 6.252 1.00 14.03 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -23.917 1.940 5.588 1.00 13.86 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -22.866 -0.283 6.271 1.00 14.24 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.302 -1.139 7.609 1.00 14.42 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -26.724 -2.523 7.756 1.00 14.57 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -26.616 -3.214 6.386 1.00 15.31 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.186 -2.745 5.384 1.00 14.89 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.157 -2.602 8.320 1.00 14.83 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -25.851 -4.304 6.343 1.00 15.19 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -25.508 -4.955 5.082 1.00 15.99 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.057 -6.375 5.049 1.00 15.79 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -25.995 -7.093 6.045 1.00 15.48 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -23.971 -5.043 4.853 1.00 15.62 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -23.680 -5.281 3.369 1.00 16.57 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.240 -3.790 5.359 1.00 17.16 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -26.581 -6.768 3.890 1.00 16.44 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.100 -8.123 3.671 1.00 16.81 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -26.601 -8.677 2.339 1.00 17.76 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -25.996 -7.951 1.548 1.00 17.67 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -28.654 -8.156 3.686 1.00 16.81 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.185 -7.717 5.035 1.00 16.37 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.248 -7.296 2.530 1.00 17.17 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -26.859 -9.961 2.094 1.00 17.90 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -26.620 -10.560 0.780 1.00 19.17 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -27.725 -10.176 -0.198 1.00 19.02 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -28.911 -10.239 0.149 1.00 18.74 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.570 -12.089 0.906 1.00 18.98 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.197 -12.735 0.745 1.00 20.83 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.085 -12.033 1.488 1.00 21.76 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -22.746 -12.709 1.255 1.00 19.89 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -22.813 -14.202 1.321 1.00 21.38 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.348 -9.781 -1.414 1.00 19.80 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.337 -9.574 -2.493 1.00 20.82 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.237 -10.810 -2.640 1.00 21.01 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -30.467 -10.694 -2.787 1.00 21.60 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -27.635 -9.268 -3.819 1.00 20.85 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -28.582 -9.031 -5.006 1.00 22.43 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -27.837 -9.075 -6.331 1.00 22.62 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -28.811 -9.110 -7.506 1.00 26.56 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -28.187 -9.705 -8.728 1.00 29.52 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -28.619 -11.989 -2.555 1.00 21.12 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.322 -13.269 -2.727 1.00 21.51 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.342 -13.548 -1.620 1.00 21.69 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.223 -14.382 -1.793 1.00 21.56 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.326 -14.407 -2.838 1.00 21.56 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.217 -12.846 -0.491 1.00 21.75 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.201 -12.914 0.593 1.00 22.26 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.349 -11.950 0.285 1.00 22.67 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -32.477 -10.882 0.890 1.00 22.38 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -30.529 -12.591 1.941 1.00 22.79 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.288 -13.137 3.137 1.00 23.25 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.444 -13.558 3.038 1.00 26.26 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.630 -13.132 4.290 1.00 24.09 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.177 -12.338 -0.684 1.00 22.77 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.202 -11.456 -1.242 1.00 23.39 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.369 -11.266 -0.289 1.00 23.81 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -35.774 -12.193 0.411 1.00 24.49 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -34.702 -11.995 -2.592 1.00 23.33 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -33.622 -12.097 -3.666 1.00 23.17 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.096 -12.854 -4.899 1.00 23.92 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -33.247 -13.399 -5.632 1.00 24.06 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -35.319 -12.920 -5.120 1.00 26.38 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -35.899 -10.052 -0.238 1.00 23.66 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -37.009 -9.771 0.667 1.00 23.93 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -36.657 -9.468 2.116 1.00 23.93 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -37.546 -9.159 2.913 1.00 24.34 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.376 -9.555 2.474 1.00 23.30 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -34.945 -9.098 3.794 1.00 22.69 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -34.803 -7.590 3.768 1.00 22.24 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.123 -7.042 2.904 1.00 22.19 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -33.625 -9.749 4.223 1.00 22.66 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -33.027 -9.359 5.587 1.00 22.92 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.038 -9.470 6.715 1.00 23.56 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -31.795 -10.209 5.884 1.00 22.55 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -35.454 -6.924 4.715 1.00 21.60 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -35.393 -5.472 4.817 1.00 21.62 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.234 -5.102 6.286 1.00 21.44 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -35.337 -5.968 7.151 1.00 21.45 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -36.679 -4.809 4.282 1.00 21.50 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -37.774 -5.142 5.143 1.00 20.86 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -36.992 -5.264 2.844 1.00 22.13 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -35.009 -3.818 6.564 1.00 21.71 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -34.973 -3.322 7.939 1.00 22.22 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.185 -3.819 8.730 1.00 22.86 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.060 -4.205 9.893 1.00 22.99 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -34.896 -1.788 7.982 1.00 22.01 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -34.876 -1.269 9.385 1.00 22.15 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -35.935 -0.766 10.093 1.00 22.10 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -33.749 -1.251 10.279 1.00 22.23 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -35.532 -0.428 11.368 1.00 22.31 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.197 -0.710 11.507 1.00 21.76 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -32.402 -1.637 10.160 1.00 21.64 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.346 -0.542 12.612 1.00 22.09 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -31.558 -1.472 11.262 1.00 21.30 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.038 -0.929 12.470 1.00 21.95 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -37.344 -3.840 8.074 1.00 23.28 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -38.611 -4.209 8.711 1.00 23.84 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -38.874 -5.704 8.868 1.00 23.81 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -39.912 -6.098 9.417 1.00 24.52 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -39.781 -3.545 7.973 1.00 24.16 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -39.679 -2.033 7.971 1.00 24.01 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -39.547 -1.407 9.020 1.00 25.43 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -39.732 -1.442 6.790 1.00 25.29 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -37.959 -6.541 8.388 1.00 23.45 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.080 -7.985 8.619 1.00 22.95 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -36.862 -8.598 9.330 1.00 22.74 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -36.631 -9.806 9.263 1.00 21.92 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -38.477 -8.746 7.340 1.00 23.09 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -37.579 -8.551 6.257 1.00 23.10 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.160 -7.731 10.217 1.00 22.58 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -34.940 -8.151 10.915 1.00 22.73 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.193 -9.010 12.155 1.00 22.91 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.263 -9.623 12.687 1.00 23.23 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.081 -6.934 11.284 1.00 22.47 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -32.707 -6.785 10.619 1.00 23.25 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -32.784 -6.855 9.099 1.00 22.85 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -32.039 -5.492 11.065 1.00 22.46 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -36.393 -8.882 12.645 1.00 23.06 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -36.741 -9.710 13.809 1.00 22.87 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -36.573 -11.199 13.517 1.00 22.34 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -36.954 -11.672 12.444 1.00 21.11 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.163 -9.434 14.323 1.00 24.07 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -38.310 -9.791 15.814 1.00 25.79 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -39.748 -10.060 16.247 1.00 29.06 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -39.855 -10.135 17.781 1.00 29.99 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -38.877 -11.090 18.426 1.00 33.03 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -35.980 -11.909 14.484 1.00 21.63 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -35.700 -13.359 14.426 1.00 21.42 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -34.688 -13.820 13.348 1.00 20.32 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -34.549 -15.023 13.077 1.00 20.10 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -36.998 -14.185 14.393 1.00 22.29 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -37.903 -13.907 15.593 1.00 24.62 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -39.116 -14.179 15.498 1.00 29.06 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -37.419 -13.389 16.624 1.00 28.80 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -33.965 -12.874 12.760 1.00 19.06 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -32.884 -13.225 11.825 1.00 18.01 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -31.554 -13.362 12.584 1.00 17.54 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -31.523 -13.187 13.802 1.00 17.30 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -32.786 -12.202 10.689 1.00 18.03 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.077 -12.028 9.856 1.00 19.16 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -34.548 -13.345 9.229 1.00 19.49 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -35.751 -13.125 8.306 1.00 21.08 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -36.930 -12.602 9.057 1.00 22.31 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -30.474 -13.665 11.863 1.00 16.33 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.145 -13.863 12.457 1.00 16.50 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.287 -12.627 12.206 1.00 15.55 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.172 -12.188 11.064 1.00 15.11 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -28.456 -15.103 11.853 1.00 16.46 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.149 -16.439 12.179 1.00 17.55 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -28.430 -17.641 11.564 1.00 18.20 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -28.688 -17.749 10.062 1.00 22.36 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.243 -19.039 9.443 1.00 24.36 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -27.688 -12.069 13.261 1.00 14.92 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -26.947 -10.809 13.131 1.00 14.08 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -25.446 -10.908 13.456 1.00 13.90 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.021 -11.736 14.270 1.00 13.79 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -27.595 -9.715 13.981 1.00 14.14 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -27.562 -10.046 15.368 1.00 13.47 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -24.670 -10.031 12.822 1.00 12.93 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.225 -9.936 13.031 1.00 12.60 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -22.893 -8.507 13.438 1.00 11.71 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.195 -7.558 12.711 1.00 11.55 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -22.471 -10.292 11.749 1.00 12.51 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -22.991 -11.841 10.955 1.00 15.09 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.267 -8.366 14.599 1.00 11.45 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -21.980 -7.071 15.203 1.00 11.53 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -20.489 -6.974 15.452 1.00 11.21 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -19.876 -7.971 15.790 1.00 11.08 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -22.693 -6.950 16.555 1.00 12.07 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.165 -7.235 16.504 1.00 12.12 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.116 -6.239 16.551 1.00 13.41 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -24.848 -8.403 16.438 1.00 13.18 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.322 -6.780 16.516 1.00 14.25 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.188 -8.091 16.445 1.00 13.06 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -19.922 -5.778 15.296 1.00 11.13 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -18.487 -5.548 15.581 1.00 11.00 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.126 -5.952 17.020 1.00 10.97 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.190 -6.730 17.240 1.00 10.67 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.063 -4.071 15.321 1.00 10.83 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -18.859 -3.193 16.122 1.00 10.87 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -18.244 -3.684 13.850 1.00 11.28 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -18.879 -5.407 17.982 1.00 10.89 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -18.814 -5.747 19.415 1.00 10.73 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -19.916 -4.987 20.136 1.00 11.18 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.356 -3.951 19.658 1.00 11.66 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -17.453 -5.375 20.032 1.00 10.30 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.364 -5.515 21.275 1.00 11.60 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.191 -4.753 22.225 1.00 12.51 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -20.495 -3.417 22.528 1.00 12.59 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.261 -3.364 22.608 1.00 11.73 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.435 -5.571 23.530 1.00 12.51 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -22.024 -4.712 24.663 1.00 14.27 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.383 -6.741 23.236 1.00 12.53 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -21.292 -2.352 22.629 1.00 12.98 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -20.840 -1.004 23.007 1.00 13.39 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.203 -0.200 21.860 1.00 13.14 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -19.926 0.993 22.023 1.00 13.34 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -19.895 -1.020 24.234 1.00 13.69 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -20.625 -1.148 25.557 1.00 15.07 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -21.877 -1.133 25.577 1.00 16.27 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -19.930 -1.278 26.593 1.00 13.14 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -19.976 -0.818 20.703 1.00 12.86 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -19.411 -0.069 19.573 1.00 12.89 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -20.478 0.682 18.761 1.00 12.47 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -21.649 0.307 18.788 1.00 12.89 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -18.517 -0.952 18.693 1.00 12.69 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.197 -1.324 19.388 1.00 13.96 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.276 -2.223 18.548 1.00 13.37 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -15.947 -1.642 17.246 1.00 15.42 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -14.934 -2.034 16.477 1.00 15.96 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.121 -3.010 16.881 1.00 15.12 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -14.732 -1.448 15.301 1.00 15.79 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.068 1.719 18.036 1.00 11.81 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.015 2.646 17.389 1.00 12.15 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -21.874 2.001 16.295 1.00 12.22 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.095 1.839 16.457 1.00 12.33 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -20.303 3.929 16.858 1.00 11.81 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -19.670 4.627 17.946 1.00 12.86 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -21.304 4.865 16.169 1.00 11.13 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.241 1.636 15.186 1.00 12.49 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -21.961 1.084 14.043 1.00 12.78 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -22.423 -0.334 14.332 1.00 13.30 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -23.514 -0.736 13.914 1.00 13.26 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.092 1.132 12.779 1.00 12.62 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -21.607 -1.085 15.071 1.00 13.14 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -21.917 -2.475 15.351 1.00 13.62 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.011 -2.700 16.382 1.00 13.99 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -23.633 -3.763 16.399 1.00 14.24 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.268 -1.711 17.234 1.00 13.88 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.148 -1.946 18.395 1.00 14.10 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.033 -0.772 18.822 1.00 13.71 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.265 -0.895 18.832 1.00 13.74 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.333 -2.450 19.601 1.00 14.94 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.186 -2.869 20.757 1.00 15.74 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -24.536 -2.106 21.831 1.00 16.45 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -24.818 -4.142 20.943 1.00 17.19 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -25.347 -2.823 22.680 1.00 16.91 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -25.531 -4.078 22.164 1.00 17.36 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -24.843 -5.336 20.205 1.00 17.29 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.262 -5.162 22.665 1.00 17.90 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -25.567 -6.416 20.706 1.00 16.58 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.276 -6.317 21.921 1.00 17.17 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -24.422 0.348 19.202 1.00 13.02 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.196 1.466 19.762 1.00 13.63 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.267 1.986 18.802 1.00 14.07 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -27.421 2.183 19.196 1.00 14.17 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -24.289 2.602 20.215 1.00 13.26 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -23.490 2.255 21.452 1.00 13.36 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -23.840 1.331 22.203 1.00 13.36 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -22.399 3.001 21.677 1.00 11.43 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -25.880 2.164 17.542 1.00 13.95 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -26.784 2.692 16.520 1.00 14.81 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -27.920 1.696 16.200 1.00 14.88 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.081 2.013 16.452 1.00 15.25 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.011 3.182 15.248 1.00 14.85 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -25.072 4.362 15.582 1.00 16.31 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -26.976 3.509 14.078 1.00 15.07 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -25.728 5.600 16.232 1.00 17.94 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -27.591 0.482 15.708 1.00 14.99 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -28.652 -0.483 15.361 1.00 14.80 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -29.515 -0.932 16.551 1.00 15.11 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -30.749 -1.004 16.420 1.00 14.25 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -27.873 -1.663 14.764 1.00 15.17 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -26.487 -1.548 15.352 1.00 14.24 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.247 -0.075 15.445 1.00 14.92 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -28.900 -1.210 17.701 1.00 15.61 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -29.670 -1.664 18.863 1.00 16.23 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -30.506 -0.543 19.489 1.00 16.84 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -31.606 -0.788 19.983 1.00 16.21 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -28.791 -2.357 19.919 1.00 16.38 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.185 -3.703 19.491 1.00 17.26 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -29.355 -4.837 18.681 1.00 20.63 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -28.891 -4.564 16.985 1.00 23.99 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -29.986 0.680 19.444 1.00 17.16 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -30.733 1.852 19.885 1.00 18.69 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -31.966 2.059 19.024 1.00 19.57 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.057 2.308 19.544 1.00 19.14 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -31.783 1.939 17.708 1.00 20.14 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -32.878 2.033 16.749 1.00 21.27 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -33.923 0.947 16.954 1.00 22.18 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.123 1.227 16.883 1.00 22.26 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -32.360 1.989 15.308 1.00 21.01 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -31.678 3.255 14.773 1.00 22.14 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -30.952 2.962 13.467 1.00 21.77 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -32.677 4.413 14.612 1.00 22.97 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -33.461 -0.279 17.207 1.00 22.39 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -34.346 -1.423 17.416 1.00 23.22 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.132 -1.336 18.733 1.00 24.39 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -36.333 -1.608 18.750 1.00 24.18 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -33.582 -2.779 17.296 1.00 23.31 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.113 -2.996 15.846 1.00 22.08 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -34.464 -3.941 17.764 1.00 22.89 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.131 -4.132 15.664 1.00 22.34 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -34.461 -0.941 19.815 1.00 25.49 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.121 -0.711 21.109 1.00 27.33 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -36.249 0.337 20.999 1.00 28.36 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -37.370 0.112 21.475 1.00 28.88 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -34.082 -0.331 22.214 1.00 27.02 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -34.743 0.378 23.397 1.00 27.59 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -33.326 -1.565 22.681 1.00 27.33 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -35.952 1.463 20.353 1.00 29.51 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -36.942 2.517 20.133 1.00 30.60 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.158 2.048 19.341 1.00 30.84 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -39.296 2.291 19.741 1.00 30.65 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -36.303 3.728 19.449 1.00 31.05 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -35.431 4.551 20.394 1.00 32.94 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -35.281 4.223 21.576 1.00 33.99 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -34.848 5.627 19.864 1.00 36.26 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -37.911 1.363 18.228 1.00 31.23 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -38.989 0.956 17.327 1.00 31.54 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -39.860 -0.159 17.906 1.00 31.78 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.085 -0.119 17.773 1.00 31.82 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -38.434 0.597 15.942 1.00 31.40 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -37.904 1.818 15.172 1.00 31.58 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.042 1.444 13.973 1.00 31.36 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.012 0.288 13.550 1.00 30.89 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.338 2.428 13.419 1.00 30.05 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.241 -1.128 18.576 1.00 31.83 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -39.991 -2.223 19.204 1.00 32.09 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -40.605 -1.823 20.556 1.00 32.30 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -41.429 -2.559 21.116 1.00 32.44 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.124 -3.488 19.394 1.00 31.89 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.140 -3.257 20.410 1.00 31.88 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -38.446 -3.878 18.088 1.00 31.85 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -40.193 -0.660 21.064 1.00 32.21 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -40.588 -0.173 22.388 1.00 32.38 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -40.179 -1.095 23.523 1.00 32.31 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -40.780 -1.073 24.598 1.00 32.41 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.153 -1.909 23.280 1.00 32.34 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -38.733 -2.945 24.219 1.00 32.13 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -37.236 -2.882 24.502 1.00 32.22 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -36.446 -2.560 23.615 1.00 31.97 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.088 -4.326 23.669 1.00 32.06 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -38.496 -5.350 24.449 1.00 32.41 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -36.863 -3.204 25.740 1.00 32.14 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -35.457 -3.285 26.140 1.00 32.20 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -34.862 -4.680 25.945 1.00 31.76 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -33.679 -4.904 26.216 1.00 31.83 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.289 -2.838 27.592 1.00 32.39 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.089 -1.064 27.769 1.00 33.64 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -35.684 -5.610 25.466 1.00 31.32 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -35.260 -6.990 25.265 1.00 30.91 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -34.523 -7.172 23.928 1.00 30.56 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -34.844 -8.071 23.151 1.00 30.32 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -36.469 -7.938 25.375 1.00 31.02 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -33.530 -6.314 23.673 1.00 30.16 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -32.707 -6.386 22.455 1.00 29.95 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -31.920 -7.691 22.350 1.00 29.78 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -31.327 -7.982 21.311 1.00 29.97 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -31.726 -5.199 22.386 1.00 29.88 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -30.797 -5.103 23.573 1.00 29.69 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -30.913 -4.049 24.473 1.00 30.29 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -29.814 -6.061 23.790 1.00 28.84 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.064 -3.948 25.570 1.00 30.05 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -28.964 -5.977 24.890 1.00 30.24 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.087 -4.917 25.781 1.00 29.85 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -31.905 -8.453 23.441 1.00 29.55 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.184 -9.712 23.533 1.00 29.43 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.031 -10.890 23.063 1.00 28.95 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -31.565 -12.025 23.064 1.00 29.54 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -30.762 -9.952 24.981 1.00 29.68 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -31.951 -10.176 25.897 1.00 30.72 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -32.868 -9.324 25.901 1.00 29.32 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -31.971 -11.210 26.596 1.00 33.04 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -33.276 -10.613 22.691 1.00 28.23 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -34.196 -11.618 22.163 1.00 27.80 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -34.704 -11.265 20.757 1.00 26.50 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -35.530 -11.997 20.180 1.00 26.61 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -35.378 -11.798 23.123 1.00 28.24 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -35.036 -12.654 24.329 1.00 31.31 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -36.053 -12.542 25.451 1.00 34.41 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -35.802 -13.125 26.527 1.00 37.03 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -37.089 -11.866 25.271 1.00 36.79 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -34.200 -10.159 20.208 1.00 24.81 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -34.659 -9.658 18.910 1.00 23.41 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.214 -10.550 17.761 1.00 22.47 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.036 -10.966 16.942 1.00 22.65 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.207 -8.208 18.689 1.00 23.29 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -34.793 -7.564 17.454 1.00 23.14 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.119 -7.119 17.437 1.00 21.96 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.010 -7.380 16.312 1.00 22.67 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -36.653 -6.516 16.298 1.00 22.59 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -34.533 -6.780 15.170 1.00 21.92 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -35.860 -6.341 15.162 1.00 23.35 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -32.913 -10.819 17.695 1.00 21.00 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -32.356 -11.702 16.685 1.00 19.83 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -32.346 -13.120 17.234 1.00 19.27 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -32.068 -13.324 18.413 1.00 19.70 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -30.934 -11.261 16.299 1.00 19.53 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -30.875 -9.910 15.632 1.00 18.95 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.355 -9.733 14.331 1.00 17.61 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -30.345 -8.813 16.305 1.00 18.89 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.310 -8.482 13.710 1.00 17.93 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.289 -7.561 15.694 1.00 17.90 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -30.781 -7.393 14.393 1.00 18.61 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -32.656 -14.097 16.388 1.00 18.56 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -32.586 -15.498 16.802 1.00 17.81 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.197 -15.863 17.370 1.00 17.38 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.086 -16.443 18.448 1.00 16.78 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -32.983 -16.437 15.657 1.00 17.46 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.208 -16.242 14.487 1.00 18.29 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.154 -15.510 16.626 1.00 16.80 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -28.766 -15.750 17.027 1.00 17.19 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -27.908 -14.579 16.577 1.00 16.42 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.269 -13.878 15.634 1.00 16.28 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.230 -17.017 16.374 1.00 17.64 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -28.908 -18.310 16.816 1.00 19.44 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -28.374 -19.507 16.068 1.00 21.14 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -27.805 -20.411 16.665 1.00 23.38 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -28.533 -19.509 14.749 1.00 22.04 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -26.770 -14.382 17.238 1.00 15.77 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -25.862 -13.297 16.880 1.00 14.88 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -24.403 -13.645 17.179 1.00 14.64 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.106 -14.602 17.913 1.00 14.16 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.222 -11.997 17.623 1.00 14.87 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -27.619 -11.691 17.563 1.00 15.00 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -23.499 -12.865 16.593 1.00 13.44 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.162 -12.745 17.140 1.00 13.38 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.021 -11.297 17.558 1.00 13.07 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -21.967 -10.384 16.713 1.00 13.29 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.073 -13.143 16.134 1.00 13.48 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.403 -12.962 16.866 1.00 12.74 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.045 -11.084 18.864 1.00 12.66 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -21.865 -9.754 19.426 1.00 12.08 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -20.772 -9.851 20.482 1.00 11.70 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.060 -10.021 21.672 1.00 11.22 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.168 -9.228 20.027 1.00 12.26 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -19.505 -9.761 20.047 1.00 11.42 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -18.408 -9.932 20.997 1.00 11.53 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -18.563 -9.017 22.220 1.00 11.44 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -18.868 -7.826 22.076 1.00 11.41 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.168 -9.573 20.165 1.00 11.77 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -17.569 -9.915 18.748 1.00 12.12 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -19.020 -9.524 18.673 1.00 11.47 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -18.382 -9.592 23.409 1.00 11.49 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -18.583 -8.883 24.670 1.00 12.35 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -19.851 -9.314 25.397 1.00 13.26 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -20.017 -9.038 26.579 1.00 13.82 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -20.746 -9.999 24.694 1.00 13.76 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -21.953 -10.537 25.324 1.00 14.82 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -21.647 -11.826 26.106 1.00 15.28 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -20.531 -12.363 26.034 1.00 14.94 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.038 -10.761 24.273 1.00 14.98 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -22.627 -12.315 26.866 1.00 15.94 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -22.481 -13.602 27.571 1.00 16.87 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.205 -14.717 26.546 1.00 17.05 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.017 -14.928 25.645 1.00 17.39 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -23.770 -13.900 28.363 1.00 16.71 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -23.675 -15.159 29.238 1.00 16.93 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -22.606 -15.816 29.321 1.00 14.90 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -24.705 -15.488 29.866 1.00 16.37 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.049 -15.416 26.661 1.00 17.53 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -20.663 -16.462 25.701 1.00 17.86 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -21.666 -17.611 25.521 1.00 17.84 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -21.704 -18.209 24.443 1.00 17.74 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -19.333 -16.991 26.254 1.00 17.98 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -18.829 -15.916 27.150 1.00 18.71 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.029 -15.229 27.708 1.00 17.77 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -22.469 -17.918 26.542 1.00 17.98 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -23.458 -18.999 26.407 1.00 18.84 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -24.819 -18.524 25.889 1.00 18.96 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -25.721 -19.342 25.674 1.00 18.98 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -23.617 -19.816 27.706 1.00 19.08 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -23.744 -18.972 28.967 1.00 20.76 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.425 -19.707 30.116 1.00 21.45 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -25.133 -18.711 31.049 1.00 20.95 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -24.229 -17.711 31.696 1.00 18.56 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -24.956 -17.214 25.676 1.00 18.83 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -26.218 -16.621 25.222 1.00 18.34 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -26.371 -16.649 23.704 1.00 18.44 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -25.398 -16.859 22.960 1.00 18.57 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -26.350 -15.180 25.730 1.00 18.51 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -25.494 -14.326 24.995 1.00 16.39 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -27.601 -16.416 23.246 1.00 18.47 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -27.885 -16.328 21.812 1.00 18.63 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.091 -15.216 21.129 1.00 17.37 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -26.775 -15.332 19.946 1.00 17.01 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.392 -16.185 21.539 1.00 19.24 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.088 -15.064 22.292 1.00 22.72 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.583 -15.346 22.456 1.00 27.98 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -32.330 -15.010 21.244 1.00 31.91 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -33.654 -15.074 21.123 1.00 32.83 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.414 -15.472 22.140 1.00 34.00 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -34.219 -14.737 19.975 1.00 34.25 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -26.747 -14.165 21.883 1.00 16.16 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -25.978 -13.034 21.345 1.00 15.78 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -24.532 -13.406 20.979 1.00 15.13 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -23.867 -12.668 20.249 1.00 15.40 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -25.986 -11.839 22.310 1.00 15.67 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.221 -10.921 22.343 1.00 16.53 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.171 -9.980 23.556 1.00 15.99 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -27.331 -10.107 21.037 1.00 15.52 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.055 -14.537 21.492 1.00 14.70 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -22.709 -15.058 21.169 1.00 14.16 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -22.733 -16.324 20.312 1.00 14.44 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -21.671 -16.822 19.896 1.00 14.86 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -21.931 -15.348 22.454 1.00 13.97 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.302 -13.897 23.282 1.00 13.79 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -23.932 -16.841 20.047 1.00 14.28 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.092 -18.162 19.410 1.00 15.13 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.373 -18.327 18.068 1.00 14.76 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -22.933 -19.421 17.731 1.00 15.83 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -25.577 -18.530 19.275 1.00 14.98 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.263 -17.248 17.308 1.00 14.52 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -22.589 -17.275 16.004 1.00 14.07 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.085 -16.999 16.032 1.00 13.78 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -20.406 -17.176 15.016 1.00 13.23 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.279 -16.304 15.038 1.00 14.15 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -24.423 -16.789 14.131 1.00 16.28 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.088 -18.103 14.537 1.00 15.49 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -25.443 -15.676 13.907 1.00 16.17 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -20.567 -16.538 17.165 1.00 13.90 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.128 -16.272 17.276 1.00 14.47 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.322 -17.570 17.226 1.00 14.98 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -18.810 -18.627 17.632 1.00 14.77 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -18.800 -15.488 18.543 1.00 14.12 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -19.564 -13.863 18.679 1.00 15.08 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.092 -17.478 16.730 1.00 15.41 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.296 -18.666 16.385 1.00 16.43 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -15.002 -18.824 17.194 1.00 16.77 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -14.389 -19.902 17.179 1.00 17.01 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -15.971 -18.661 14.890 1.00 16.56 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -14.586 -17.766 17.885 1.00 16.54 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -13.327 -17.788 18.626 1.00 16.90 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.121 -17.829 17.698 1.00 17.31 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.223 -17.452 16.525 1.00 16.76 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -10.990 -18.298 18.229 1.00 18.19 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -9.727 -18.368 17.482 1.00 19.83 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -9.538 -19.691 16.706 1.00 21.08 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -10.479 -20.487 16.597 1.00 21.33 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -8.535 -18.083 18.415 1.00 19.48 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.260 -19.213 19.427 1.00 20.49 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -8.744 -20.353 19.267 1.00 21.84 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -7.528 -18.955 20.400 1.00 22.18 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.326 -19.905 16.184 0.50 22.34 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -7.935 -21.140 15.475 0.50 24.01 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.298 -22.423 16.224 0.50 24.85 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -8.762 -23.392 15.625 0.50 25.22 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -6.422 -21.145 15.205 0.50 24.04 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -6.011 -20.211 14.077 0.50 24.81 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -6.870 -19.779 13.273 0.50 25.41 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -4.800 -19.911 13.992 0.50 26.48 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -8.063 -22.419 17.533 1.00 26.27 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -8.357 -23.555 18.406 1.00 27.59 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -9.794 -23.555 18.901 1.00 27.50 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -10.184 -24.423 19.686 1.00 28.05 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -7.433 -23.544 19.628 1.00 28.05 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -5.973 -23.832 19.334 1.00 30.27 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -5.249 -24.390 20.548 1.00 33.03 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -5.393 -25.571 20.884 1.00 35.97 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -4.466 -23.547 21.213 1.00 33.19 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -10.578 -22.571 18.469 1.00 27.67 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -11.942 -22.411 18.962 1.00 26.50 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -11.978 -21.942 20.401 1.00 26.36 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -12.947 -22.214 21.120 1.00 27.34 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -10.914 -21.258 20.826 1.00 25.22 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -10.833 -20.644 22.151 1.00 24.10 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.264 -19.193 22.075 1.00 22.83 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.231 -18.589 21.002 1.00 23.13 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -9.401 -20.688 22.693 1.00 24.10 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -8.765 -22.026 23.088 1.00 24.73 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -7.463 -21.727 23.778 1.00 24.56 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -9.671 -22.820 24.008 1.00 24.16 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -11.649 -18.638 23.219 1.00 21.46 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -11.987 -17.214 23.324 1.00 20.43 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.216 -16.860 22.499 1.00 19.17 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.343 -15.731 22.021 1.00 17.91 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -10.803 -16.332 22.903 1.00 20.70 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -9.625 -16.419 23.866 1.00 22.92 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -9.755 -17.041 24.939 1.00 24.94 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -8.562 -15.855 23.534 1.00 24.00 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.282 -17.686 22.674 1.00 18.40 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -15.526 -17.488 21.936 1.00 17.93 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.209 -16.203 22.388 1.00 16.57 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.422 -15.994 23.585 1.00 16.54 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -16.461 -18.684 22.141 1.00 18.31 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -17.665 -18.737 21.211 1.00 21.28 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -18.658 -19.793 21.680 1.00 24.83 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -19.802 -19.981 20.695 1.00 25.15 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -19.391 -20.760 19.493 1.00 27.38 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.540 -15.351 21.418 1.00 15.76 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.260 -14.090 21.647 1.00 15.03 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.492 -13.084 22.521 1.00 14.46 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -17.092 -12.322 23.283 1.00 13.86 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -18.665 -14.360 22.210 1.00 15.03 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -19.857 -13.023 21.957 1.00 14.85 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -15.175 -13.191 22.624 1.00 13.77 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.289 -12.214 23.265 1.00 13.71 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.150 -10.985 22.364 1.00 12.90 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -13.995 -11.121 21.143 1.00 12.38 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -12.869 -12.767 23.598 1.00 13.52 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -12.942 -13.893 24.633 1.00 15.49 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -12.121 -13.200 22.325 1.00 15.52 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.280 -9.793 22.968 1.00 12.61 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.261 -8.549 22.203 1.00 12.33 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -12.827 -8.101 21.864 1.00 12.36 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.398 -7.010 22.246 1.00 12.12 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -14.941 -7.568 23.147 1.00 12.20 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -14.577 -8.046 24.515 1.00 12.38 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -14.509 -9.550 24.406 1.00 12.84 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -12.101 -8.962 21.160 1.00 12.80 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -10.779 -8.612 20.628 1.00 13.16 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -10.472 -9.414 19.363 1.00 13.82 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.226 -10.341 19.002 1.00 14.06 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -9.675 -8.694 21.715 1.00 13.14 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.283 -10.126 22.093 1.00 14.01 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.231 -11.019 21.252 1.00 14.49 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -8.955 -10.326 23.364 1.00 15.28 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -9.391 -9.052 18.674 1.00 13.93 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.143 -9.582 17.330 1.00 14.62 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -8.949 -11.099 17.278 1.00 15.30 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -8.948 -11.662 16.190 1.00 16.06 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -7.971 -8.865 16.665 1.00 14.52 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -6.761 -9.195 17.314 1.00 12.85 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -8.790 -11.742 18.443 1.00 15.78 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -8.707 -13.216 18.534 1.00 16.09 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -9.989 -13.911 18.077 1.00 15.85 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -9.948 -15.030 17.533 1.00 16.15 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -8.392 -13.663 19.957 1.00 16.32 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -6.947 -13.483 20.348 1.00 18.03 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -6.604 -14.456 21.450 1.00 21.83 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.494 -15.857 20.891 1.00 20.88 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -6.858 -16.854 21.899 1.00 22.98 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.121 -13.256 18.315 1.00 14.76 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -12.415 -13.758 17.854 1.00 14.26 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -12.546 -13.539 16.340 1.00 14.03 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.394 -12.422 15.845 1.00 13.84 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -13.560 -13.112 18.646 1.00 14.09 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -14.937 -13.114 17.954 1.00 12.55 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -15.503 -14.516 17.734 1.00 12.67 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -15.575 -15.307 18.714 1.00 11.52 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -15.877 -14.813 16.575 1.00 12.42 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -12.783 -14.630 15.618 1.00 13.97 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -12.840 -14.634 14.153 1.00 14.34 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -13.746 -13.539 13.605 1.00 13.50 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -13.403 -12.867 12.640 1.00 13.96 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.323 -16.004 13.645 1.00 13.59 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.292 -16.185 12.117 1.00 16.11 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -13.869 -17.565 11.741 1.00 16.42 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.028 -18.274 10.701 1.00 21.67 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -13.507 -19.683 10.430 1.00 23.81 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -14.902 -13.360 14.236 1.00 12.90 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -15.886 -12.417 13.750 1.00 12.72 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -15.874 -11.057 14.480 1.00 12.59 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -16.846 -10.310 14.404 1.00 12.56 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.286 -13.063 13.710 1.00 12.77 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.355 -14.335 12.866 1.00 13.71 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -16.895 -14.348 11.550 1.00 15.53 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -17.870 -15.523 13.391 1.00 15.60 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -16.941 -15.508 10.774 1.00 15.96 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -17.932 -16.692 12.616 1.00 15.59 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -17.455 -16.671 11.311 1.00 15.83 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -17.505 -17.808 10.524 1.00 16.01 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -14.749 -10.714 15.120 1.00 12.38 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -14.603 -9.416 15.817 1.00 11.86 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -14.388 -8.184 14.902 1.00 11.71 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -13.675 -8.259 13.894 1.00 11.11 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -13.463 -9.467 16.858 1.00 11.82 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.277 -8.138 17.562 1.00 11.63 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.162 -7.730 18.566 1.00 11.26 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.263 -7.266 17.191 1.00 11.59 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -14.013 -6.499 19.193 1.00 12.52 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.115 -6.029 17.803 1.00 11.54 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -12.985 -5.656 18.812 1.00 12.00 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -12.858 -4.428 19.431 1.00 13.13 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -14.984 -7.047 15.280 1.00 10.91 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -14.680 -5.759 14.639 1.00 11.56 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -15.328 -5.596 13.281 1.00 11.68 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.123 -6.442 12.870 1.00 11.54 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.001 -4.504 12.584 1.00 12.36 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -15.543 -4.264 11.243 1.00 12.45 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.350 -5.444 10.287 1.00 12.83 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.311 -5.922 9.690 1.00 12.27 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -14.936 -3.014 10.604 1.00 12.58 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.235 -1.708 11.305 1.00 12.08 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -16.551 -1.258 11.475 1.00 10.58 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.189 -0.905 11.769 1.00 11.59 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -16.813 -0.044 12.101 1.00 11.24 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -14.437 0.294 12.390 1.00 10.42 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -15.750 0.716 12.564 1.00 11.68 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -15.980 1.911 13.173 1.00 12.87 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.105 -5.894 10.134 1.00 13.36 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -13.780 -6.953 9.181 1.00 14.31 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.407 -8.299 9.594 1.00 13.38 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -14.972 -8.997 8.756 1.00 13.32 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.250 -7.097 8.985 1.00 14.65 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -11.673 -5.807 8.714 1.00 18.47 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -11.951 -8.007 7.809 1.00 16.24 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.328 -8.632 10.882 1.00 13.00 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -14.906 -9.876 11.406 1.00 11.97 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.415 -9.946 11.242 1.00 11.89 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -16.965 -10.987 10.860 1.00 11.01 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.093 -8.827 11.499 1.00 11.83 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -18.541 -8.797 11.337 1.00 11.95 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -18.937 -8.917 9.865 1.00 12.65 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -19.894 -9.625 9.540 1.00 12.69 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.150 -7.548 11.978 1.00 12.74 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.189 -8.269 8.973 1.00 12.46 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -18.446 -8.418 7.533 1.00 13.02 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.175 -9.853 7.044 1.00 13.07 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -18.889 -10.350 6.184 1.00 13.37 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -17.678 -7.373 6.706 1.00 13.02 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.073 -7.341 5.238 1.00 13.94 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.337 -6.905 4.848 1.00 13.53 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.165 -7.738 4.255 1.00 14.34 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -19.701 -6.876 3.490 1.00 13.82 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.514 -7.729 2.894 1.00 13.63 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -18.776 -7.285 2.509 1.00 14.54 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.166 -10.513 7.616 1.00 13.13 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -16.874 -11.915 7.300 1.00 13.23 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.008 -12.847 7.715 1.00 13.13 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.355 -13.781 6.985 1.00 13.11 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -15.572 -12.356 7.970 1.00 13.35 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.140 -13.777 7.643 1.00 14.06 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -13.812 -14.121 8.354 1.00 13.59 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.355 -15.453 7.950 1.00 16.34 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.146 -15.956 8.206 1.00 17.80 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.256 -15.260 8.890 1.00 17.43 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -11.838 -17.174 7.787 1.00 19.37 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -18.561 -12.580 8.895 1.00 13.18 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -19.728 -13.282 9.422 1.00 13.45 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -20.890 -13.229 8.415 1.00 13.48 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -21.552 -14.246 8.180 1.00 13.88 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.084 -12.693 10.798 1.00 13.21 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -21.636 -13.207 11.595 1.00 13.48 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.123 -12.059 7.811 1.00 14.08 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.117 -11.933 6.730 1.00 14.56 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -21.669 -12.634 5.449 1.00 15.17 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.427 -13.405 4.864 1.00 14.92 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -22.432 -10.472 6.411 1.00 14.71 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.332 -10.243 5.188 1.00 13.68 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -24.796 -10.672 5.489 1.00 14.30 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.255 -8.783 4.755 1.00 12.95 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.438 -12.359 5.022 1.00 16.05 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -19.899 -12.948 3.788 1.00 16.80 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -19.990 -14.476 3.766 1.00 17.31 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.331 -15.063 2.733 1.00 17.62 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.469 -12.496 3.557 1.00 16.44 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -19.716 -15.108 4.907 1.00 17.55 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -19.734 -16.568 5.009 1.00 18.29 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.138 -17.133 5.236 1.00 18.28 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.307 -18.342 5.384 1.00 18.55 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -18.758 -17.051 6.094 1.00 17.99 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.305 -16.707 5.778 1.00 18.96 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.297 -17.221 6.793 1.00 18.99 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -16.648 -17.540 7.948 1.00 22.73 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.126 -17.302 6.421 1.00 20.93 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.132 -16.244 5.246 1.00 18.62 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.539 -16.594 5.522 1.00 18.70 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -23.785 -17.185 6.915 1.00 18.31 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -24.759 -17.912 7.141 1.00 18.13 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.112 -17.484 4.401 1.00 19.25 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.306 -16.719 3.099 1.00 20.61 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -24.643 -15.519 3.150 1.00 21.50 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -24.120 -17.311 2.020 1.00 23.57 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -22.903 -16.853 7.858 1.00 17.38 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.108 -17.213 9.266 1.00 16.86 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.269 -16.360 9.812 1.00 16.30 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.137 -16.839 10.558 1.00 16.37 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -21.789 -17.052 10.092 1.00 16.82 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.030 -17.269 11.580 1.00 16.48 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -20.717 -18.011 9.576 1.00 17.05 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.295 -15.097 9.400 1.00 16.21 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.372 -14.198 9.755 1.00 16.07 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.102 -13.691 8.528 1.00 15.95 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -25.588 -13.767 7.410 1.00 16.07 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.306 -13.168 8.752 1.00 15.73 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.132 -12.584 7.701 1.00 15.91 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -27.841 -11.110 7.467 1.00 15.19 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.097 -10.574 6.386 1.00 15.43 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -29.603 -12.716 8.093 1.00 16.05 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.078 -14.150 8.083 1.00 17.23 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -29.888 -14.818 7.049 1.00 17.53 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -30.647 -14.592 9.108 1.00 17.59 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.340 -10.457 8.508 1.00 14.95 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.101 -9.016 8.506 1.00 14.53 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -25.818 -8.696 9.279 1.00 13.99 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -25.537 -9.303 10.320 1.00 14.66 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.337 -8.210 9.051 1.00 14.71 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -28.665 -8.562 10.517 1.00 14.98 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.135 -6.709 8.880 1.00 14.81 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.034 -7.766 8.746 1.00 13.84 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -23.861 -7.252 9.443 1.00 13.11 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.022 -5.757 9.701 1.00 12.97 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -24.375 -4.979 8.795 1.00 12.44 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -22.577 -7.520 8.644 1.00 13.51 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -23.763 -5.364 10.944 1.00 12.47 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -23.772 -3.957 11.318 1.00 12.82 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.344 -3.430 11.343 1.00 12.58 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -21.596 -3.649 12.320 1.00 12.21 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -24.495 -3.779 12.652 1.00 12.66 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -25.928 -4.237 12.608 1.00 14.13 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -26.888 -3.476 11.929 1.00 15.10 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.316 -5.430 13.207 1.00 13.42 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.224 -3.895 11.858 1.00 14.75 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -27.658 -5.858 13.148 1.00 14.48 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -28.607 -5.079 12.471 1.00 13.55 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -21.972 -2.770 10.245 1.00 12.40 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -20.612 -2.255 10.055 1.00 12.96 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -20.638 -0.824 9.525 1.00 13.60 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -21.636 -0.123 9.706 1.00 13.81 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -19.741 -3.208 9.162 1.00 12.28 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -19.577 -4.576 9.828 1.00 12.44 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -20.322 -3.371 7.746 1.00 13.10 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -19.544 -0.379 8.890 1.00 14.33 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -19.544 0.912 8.202 1.00 14.53 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -19.406 0.755 6.676 1.00 14.89 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -18.979 -0.297 6.174 1.00 14.45 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -18.475 1.858 8.773 1.00 14.59 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.040 1.381 8.574 1.00 13.86 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.050 2.319 9.260 1.00 14.48 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -14.656 1.709 9.207 1.00 13.81 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -13.606 2.667 9.624 1.00 15.59 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -19.757 1.812 5.949 1.00 15.39 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -19.667 1.810 4.487 1.00 16.37 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.297 1.343 4.000 1.00 16.27 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.199 0.464 3.129 1.00 16.37 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -19.999 3.206 3.930 1.00 16.76 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -19.509 3.396 2.514 1.00 19.31 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.032 2.776 1.576 1.00 19.72 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -18.501 4.266 2.352 1.00 20.70 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.240 1.904 4.585 1.00 16.16 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -15.866 1.602 4.160 1.00 16.45 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -15.548 0.108 4.178 1.00 16.23 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -14.854 -0.396 3.293 1.00 16.11 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -14.856 2.352 5.025 1.00 17.13 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.107 3.846 5.040 1.00 19.41 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -15.814 4.317 5.954 1.00 20.78 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -14.622 4.541 4.120 1.00 21.24 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.055 -0.585 5.195 1.00 15.63 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -15.798 -2.016 5.389 1.00 15.25 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.199 -2.826 4.154 1.00 15.48 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.436 -3.683 3.698 1.00 15.32 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.519 -2.561 6.662 1.00 14.97 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.218 -1.719 7.787 1.00 14.17 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.090 -4.001 6.964 1.00 14.38 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.377 -2.534 3.604 1.00 15.88 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -17.871 -3.252 2.430 1.00 16.73 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -16.921 -3.037 1.247 1.00 17.63 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -16.495 -3.989 0.624 1.00 18.19 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.316 -2.848 2.057 1.00 16.98 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -19.814 -3.651 0.864 1.00 16.98 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.254 -3.047 3.248 1.00 15.98 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -16.585 -1.782 0.967 1.00 18.46 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -15.700 -1.438 -0.143 1.00 19.58 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.319 -2.066 0.006 1.00 19.81 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -13.788 -2.643 -0.946 1.00 20.36 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -15.629 0.083 -0.294 1.00 19.93 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -16.887 0.609 -0.896 1.00 20.83 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.083 0.792 -0.269 1.00 20.83 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.091 0.964 -2.268 1.00 21.72 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.021 1.263 -1.164 1.00 22.47 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.435 1.377 -2.398 1.00 22.06 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.263 0.988 -3.398 1.00 22.14 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -18.976 1.804 -3.621 1.00 22.65 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -16.796 1.424 -4.609 1.00 21.77 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.139 1.817 -4.714 1.00 21.81 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -13.778 -2.000 1.219 1.00 20.03 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.421 -2.457 1.526 1.00 21.11 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.231 -3.976 1.499 1.00 20.86 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.095 -4.454 1.492 1.00 21.29 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -11.951 -1.864 2.864 1.00 20.69 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -11.600 -0.385 2.745 1.00 22.33 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.430 0.342 4.075 1.00 23.18 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -11.168 -0.302 5.121 1.00 23.30 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.556 1.588 4.053 1.00 26.99 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.329 -4.728 1.460 1.00 20.81 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.255 -6.195 1.476 1.00 20.85 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -13.923 -6.899 0.289 1.00 21.09 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.246 -8.081 0.356 1.00 21.14 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -13.770 -6.739 2.814 1.00 20.90 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -12.859 -6.371 3.969 1.00 20.34 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -11.881 -7.055 4.235 1.00 21.63 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.168 -5.273 4.646 1.00 20.66 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.098 -6.164 -0.802 1.00 21.47 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -14.755 -6.672 -1.997 1.00 22.10 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -13.951 -6.244 -3.229 1.00 23.16 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.073 -5.375 -3.136 1.00 23.25 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.188 -6.114 -2.119 1.00 21.79 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.152 -4.689 -1.972 1.00 21.34 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.124 -6.719 -1.055 1.00 21.34 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.245 -6.873 -4.369 1.00 24.54 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -13.627 -6.538 -5.668 1.00 25.63 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.096 -6.457 -5.648 1.00 26.27 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.502 -5.533 -6.219 1.00 26.68 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.236 -5.248 -6.233 1.00 25.69 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -15.680 -5.425 -6.675 1.00 26.78 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.481 -6.079 -6.003 1.00 28.48 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.018 -4.836 -7.810 1.00 27.25 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -11.473 -7.420 -4.975 1.00 26.70 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.020 -7.547 -4.943 1.00 27.88 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.308 -6.613 -3.983 1.00 28.34 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.085 -6.546 -3.988 1.00 28.44 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.057 -5.893 -3.151 1.00 28.95 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.431 -4.950 -2.216 1.00 29.90 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -8.734 -5.614 -1.022 1.00 30.56 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -7.899 -4.980 -0.382 1.00 30.42 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.423 -3.874 -1.734 1.00 29.68 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -10.883 -2.877 -2.804 1.00 29.83 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -9.792 -1.918 -3.270 1.00 31.48 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.049 -1.364 -2.426 1.00 31.54 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -9.691 -1.706 -4.497 1.00 31.06 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.045 -6.886 -0.749 1.00 31.72 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -8.517 -7.580 0.446 1.00 32.80 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -7.427 -8.665 0.272 1.00 33.71 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -6.456 -8.693 1.042 1.00 34.53 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -9.663 -8.150 1.285 1.00 32.69 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.164 -9.034 2.276 1.00 32.09 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -7.613 -9.568 -0.691 1.00 34.19 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -6.720 -10.743 -0.931 1.00 34.47 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -6.835 -11.899 0.081 1.00 34.31 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.388 -13.018 -0.203 1.00 34.23 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.193 -10.389 -1.161 1.00 34.67 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.547 -10.098 0.087 1.00 35.16 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -5.011 -9.220 -2.129 1.00 35.11 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.427 -11.637 1.249 1.00 33.93 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -7.654 -12.683 2.251 1.00 33.22 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.588 -13.755 1.695 1.00 32.82 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.511 -13.447 0.947 1.00 32.58 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.223 -12.083 3.533 1.00 33.47 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.267 -14.909 2.159 1.00 32.29 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -8.914 -16.152 1.707 1.00 31.87 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.444 -16.103 1.594 1.00 31.03 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.011 -16.606 0.621 1.00 31.11 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.475 -17.345 2.573 1.00 32.45 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.500 -17.038 4.064 1.00 34.02 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -7.458 -17.238 4.724 1.00 35.49 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -9.551 -16.599 4.580 1.00 35.00 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.206 -15.535 2.626 1.00 29.84 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.657 -15.391 2.689 1.00 28.71 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.145 -14.214 1.832 1.00 28.54 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.280 -14.220 1.356 1.00 28.25 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.113 -15.246 4.149 1.00 27.85 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.658 -13.987 4.791 1.00 26.57 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.498 -13.786 5.481 1.00 25.90 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.354 -12.737 4.799 1.00 25.69 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.424 -12.484 5.916 1.00 25.87 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.555 -11.820 5.511 1.00 25.38 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.575 -12.302 4.268 1.00 25.58 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -12.937 -10.492 5.708 1.00 25.74 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -14.951 -10.977 4.459 1.00 25.86 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.137 -10.092 5.176 1.00 26.07 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.278 -13.220 1.637 1.00 28.44 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -12.636 -11.991 0.910 1.00 28.77 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.212 -11.940 -0.568 1.00 29.05 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -12.826 -11.219 -1.354 1.00 28.83 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.111 -10.774 1.646 1.00 28.52 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.156 -12.683 -0.922 1.00 29.73 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -10.613 -12.765 -2.295 1.00 30.18 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -11.655 -12.597 -3.382 1.00 30.03 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -11.494 -11.796 -4.314 1.00 30.26 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -10.016 -14.159 -2.546 1.00 30.06 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -8.665 -14.436 -1.969 1.00 31.21 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -8.054 -15.702 -2.582 1.00 31.04 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -8.703 -17.007 -2.088 1.00 32.63 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -9.860 -17.422 -2.925 1.00 32.79 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -12.711 -13.393 -3.259 1.00 29.62 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -13.652 -13.638 -4.335 1.00 29.46 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -14.983 -12.894 -4.170 1.00 28.94 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -15.924 -13.149 -4.916 1.00 29.19 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -13.898 -15.151 -4.431 1.00 29.88 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -14.078 -15.642 -5.859 1.00 29.91 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.809 -14.930 -6.830 1.00 29.76 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -14.527 -16.879 -5.987 1.00 31.55 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.056 -11.963 -3.215 1.00 28.16 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.304 -11.242 -2.946 1.00 27.07 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -16.561 -10.072 -3.897 1.00 26.79 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -15.681 -9.248 -4.140 1.00 26.23 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.364 -10.749 -1.494 1.00 26.81 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.290 -11.765 -0.354 1.00 26.59 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.228 -11.030 0.988 1.00 26.29 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.467 -12.732 -0.391 1.00 26.22 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -17.791 -10.001 -4.402 1.00 26.62 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.193 -8.958 -5.334 1.00 27.05 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.200 -8.011 -4.678 1.00 26.88 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.158 -8.462 -4.048 1.00 26.73 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -18.790 -9.587 -6.600 1.00 27.26 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -18.636 -8.740 -7.861 1.00 28.94 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -19.628 -7.592 -7.908 1.00 30.75 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -18.948 -6.294 -8.320 1.00 31.59 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -19.896 -5.156 -8.446 1.00 32.29 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -18.977 -6.707 -4.848 1.00 27.25 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -19.845 -5.652 -4.311 1.00 27.46 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.325 -5.775 -4.675 1.00 27.26 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.195 -5.462 -3.860 1.00 26.80 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.344 -4.277 -4.753 1.00 27.93 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -18.575 -3.548 -3.697 1.00 28.47 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -17.750 -2.447 -4.299 1.00 29.40 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.378 -2.515 -3.804 1.00 29.12 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.315 -2.077 -4.466 1.00 29.43 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.448 -1.523 -5.665 1.00 28.96 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.113 -2.190 -3.921 1.00 29.48 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.598 -6.214 -5.903 1.00 26.94 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -22.966 -6.362 -6.396 1.00 26.81 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -23.739 -7.482 -5.711 1.00 25.71 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -24.961 -7.560 -5.843 1.00 25.65 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -23.009 -6.541 -7.918 1.00 27.22 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -23.748 -5.409 -8.638 1.00 30.39 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.234 -5.345 -8.276 1.00 34.23 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -25.928 -6.383 -8.391 1.00 36.04 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -25.714 -4.254 -7.881 1.00 35.78 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.021 -8.330 -4.979 1.00 24.19 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -23.624 -9.424 -4.226 1.00 23.12 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.115 -8.988 -2.845 1.00 21.83 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -24.685 -9.788 -2.104 1.00 21.32 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -22.643 -10.585 -4.109 1.00 23.11 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.425 -11.291 -5.430 1.00 24.38 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.360 -11.317 -6.252 1.00 24.75 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.315 -11.802 -5.654 1.00 26.76 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -23.900 -7.713 -2.523 1.00 20.74 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.337 -7.143 -1.254 1.00 19.98 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.339 -5.999 -1.433 1.00 19.90 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.321 -5.298 -2.444 1.00 19.65 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.124 -6.685 -0.434 1.00 19.29 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.185 -7.803 -0.072 1.00 18.46 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -22.316 -8.474 1.146 1.00 17.66 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.172 -8.193 -0.947 1.00 17.84 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -21.442 -9.518 1.487 1.00 16.71 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.301 -9.233 -0.619 1.00 16.85 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -20.433 -9.893 0.602 1.00 17.15 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.227 -5.846 -0.453 1.00 19.52 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.185 -4.743 -0.422 1.00 19.93 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.156 -4.050 0.941 1.00 19.87 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -26.813 -4.667 1.952 1.00 19.78 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -28.612 -5.249 -0.714 1.00 20.03 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -28.865 -5.658 -2.169 1.00 20.51 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -28.809 -4.460 -3.107 1.00 23.71 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -28.974 -4.830 -4.513 1.00 26.26 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -27.974 -5.037 -5.367 1.00 27.53 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -26.713 -4.926 -4.971 1.00 28.68 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.238 -5.362 -6.627 1.00 28.88 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -27.533 -2.774 0.957 1.00 19.82 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -27.724 -2.030 2.201 1.00 19.48 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.198 -1.911 2.571 1.00 19.56 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.065 -1.709 1.705 1.00 19.42 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.114 -0.631 2.100 1.00 19.71 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -25.645 -0.485 1.700 1.00 18.47 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.280 0.984 1.612 1.00 18.63 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -24.734 -1.204 2.688 1.00 17.49 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.473 -2.009 3.867 1.00 19.10 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -30.835 -1.854 4.376 1.00 19.13 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.087 -0.424 4.822 1.00 19.32 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.420 0.082 5.727 1.00 18.90 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.081 -2.817 5.534 1.00 18.91 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -30.847 -4.306 5.288 1.00 18.36 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -31.176 -5.060 6.560 1.00 18.79 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -31.679 -4.835 4.098 1.00 17.55 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.057 0.232 4.187 1.00 20.00 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.385 1.612 4.539 1.00 20.49 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -33.480 1.629 5.593 1.00 21.14 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.292 0.701 5.682 1.00 21.71 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -32.817 2.425 3.307 1.00 20.78 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -31.903 2.136 1.766 1.00 20.13 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -33.509 2.691 6.389 1.00 21.71 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -34.499 2.817 7.450 1.00 22.41 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -35.948 2.850 6.945 1.00 22.94 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -36.858 2.430 7.664 1.00 23.09 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.188 4.024 8.340 1.00 22.55 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -32.981 3.863 9.272 1.00 22.09 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -32.745 5.149 10.040 1.00 24.39 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.151 2.688 10.226 1.00 22.14 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.152 3.301 5.707 1.00 23.47 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -37.494 3.297 5.096 1.00 24.00 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -37.942 1.929 4.552 1.00 24.31 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -39.001 1.821 3.926 1.00 24.39 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -37.614 4.378 4.019 1.00 24.06 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -36.752 4.104 2.799 1.00 24.42 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.031 3.084 2.758 1.00 26.52 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -36.788 4.930 1.865 1.00 25.67 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -37.134 0.895 4.783 1.00 24.32 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -37.509 -0.465 4.414 1.00 24.92 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.093 -0.862 3.015 1.00 25.26 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -37.423 -1.949 2.560 1.00 25.59 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.364 0.028 2.343 1.00 25.40 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -35.868 -0.178 0.981 1.00 25.66 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -34.485 -0.860 1.014 1.00 25.02 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -33.807 -0.828 2.037 1.00 24.92 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -35.843 1.188 0.221 1.00 26.02 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -37.195 1.617 -0.045 1.00 27.52 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -35.098 1.104 -1.090 1.00 27.32 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.106 -1.508 -0.090 1.00 24.53 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -32.769 -2.098 -0.268 1.00 24.27 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.013 -1.375 -1.386 1.00 24.32 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -32.557 -1.180 -2.474 1.00 24.20 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -32.876 -3.578 -0.636 1.00 24.19 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.454 -4.480 0.430 1.00 23.48 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -33.994 -5.766 -0.179 1.00 23.21 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.010 -6.508 -0.967 1.00 23.77 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.362 -7.598 -0.553 1.00 24.34 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -32.562 -8.089 0.665 1.00 22.79 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -31.503 -8.200 -1.365 1.00 24.86 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -30.766 -0.981 -1.129 1.00 23.92 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -29.963 -0.276 -2.141 1.00 24.26 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -28.577 -0.894 -2.349 1.00 23.60 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.040 -1.530 -1.432 1.00 22.81 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -29.822 1.221 -1.793 1.00 24.23 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.088 2.038 -2.013 1.00 25.18 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -30.863 3.534 -1.768 1.00 26.17 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -32.069 4.355 -2.220 1.00 28.96 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -31.825 5.833 -2.114 1.00 31.14 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -27.994 -0.720 -3.559 1.00 23.72 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -26.601 -1.107 -3.784 1.00 23.78 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -25.664 -0.359 -2.847 1.00 23.94 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.029 0.693 -2.315 1.00 24.05 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.340 -0.678 -5.235 1.00 23.76 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -27.680 -0.704 -5.870 1.00 24.54 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -28.606 -0.195 -4.795 1.00 23.71 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -24.467 -0.900 -2.660 1.00 23.87 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -23.533 -0.382 -1.656 1.00 24.25 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -22.850 0.922 -2.086 1.00 24.38 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.097 1.514 -1.310 1.00 24.43 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -22.507 -1.462 -1.218 1.00 24.37 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.232 -2.678 -0.647 1.00 24.24 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -21.614 -1.879 -2.379 1.00 24.30 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.144 1.362 -3.314 1.00 24.14 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -22.739 2.676 -3.837 1.00 24.56 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -23.618 3.813 -3.300 1.00 24.24 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.277 4.998 -3.432 1.00 24.44 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -22.816 2.714 -5.387 1.00 24.69 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.132 2.340 -5.811 1.00 25.19 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -21.805 1.757 -6.011 1.00 25.16 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -24.821 3.586 -2.916 1.00 23.64 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -25.701 4.587 -2.312 1.00 23.43 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -25.683 4.525 -0.782 1.00 22.32 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -26.720 4.330 -0.143 1.00 22.36 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.131 4.441 -2.850 1.00 23.95 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -27.464 5.348 -4.035 1.00 27.66 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -26.635 5.055 -5.277 1.00 30.56 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -26.460 3.866 -5.622 1.00 32.59 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.164 6.021 -5.914 1.00 33.82 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -24.496 4.697 -0.206 1.00 21.18 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -24.323 4.685 1.246 1.00 20.52 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -24.713 6.020 1.878 1.00 19.91 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -25.093 6.072 3.050 1.00 19.95 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -22.890 4.323 1.606 1.00 20.55 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -24.659 7.056 1.065 0.50 18.84 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -24.968 8.418 1.491 0.50 18.59 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -26.473 8.668 1.603 0.50 18.20 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -26.895 9.624 2.248 0.50 17.56 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -24.311 9.450 0.576 0.50 18.15 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -24.288 10.865 1.152 0.50 19.04 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.511 10.971 2.448 0.50 18.94 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -24.073 11.311 3.487 0.50 19.66 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -22.214 10.675 2.396 0.50 18.98 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.268 7.796 0.986 1.00 18.83 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -28.736 7.889 1.049 1.00 19.33 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -29.403 6.720 1.786 1.00 19.23 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -30.630 6.667 1.925 1.00 19.04 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -29.327 8.065 -0.361 1.00 19.48 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.112 6.925 -1.173 1.00 21.40 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -28.587 5.792 2.282 1.00 19.30 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.088 4.563 2.884 1.00 18.64 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.177 4.087 4.026 1.00 18.28 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -27.560 3.020 3.940 1.00 18.62 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.208 3.484 1.804 1.00 19.18 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -29.945 1.937 2.330 1.00 19.29 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.094 4.893 5.081 1.00 17.68 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.291 4.563 6.265 1.00 17.25 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.127 4.678 7.518 1.00 17.05 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.200 5.286 7.512 1.00 16.97 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.068 5.480 6.384 1.00 17.27 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -26.404 6.935 6.310 1.00 17.37 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.261 7.667 5.153 1.00 19.08 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -26.914 7.784 7.233 1.00 18.36 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -26.655 8.909 5.368 1.00 17.78 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.059 9.006 6.622 1.00 18.80 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -27.622 4.107 8.603 1.00 16.87 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -28.317 4.145 9.877 1.00 16.79 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -27.984 5.402 10.663 1.00 17.04 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -28.802 5.876 11.448 1.00 16.59 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -27.989 2.908 10.716 1.00 16.90 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -28.287 1.512 10.144 1.00 16.49 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.093 0.467 11.235 1.00 15.18 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -29.675 1.402 9.534 1.00 16.38 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -26.778 5.925 10.458 1.00 16.80 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -26.327 7.141 11.123 1.00 17.01 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -24.971 7.539 10.573 1.00 17.17 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -24.303 6.742 9.904 1.00 17.51 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -26.221 6.924 12.657 1.00 16.77 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -24.560 8.769 10.864 1.00 17.15 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.166 9.155 10.663 1.00 17.41 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -22.465 9.146 12.039 1.00 17.10 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -22.958 9.730 13.011 1.00 16.53 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.021 10.490 9.893 1.00 18.04 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -23.875 11.586 10.515 1.00 20.32 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -21.562 10.906 9.798 1.00 19.34 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -21.334 8.448 12.106 1.00 16.14 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -20.602 8.207 13.360 1.00 15.37 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -19.398 9.135 13.505 1.00 15.13 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -18.754 9.466 12.501 1.00 14.90 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.138 6.771 13.396 1.00 15.17 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.078 9.554 14.752 1.00 14.62 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -17.836 10.305 14.945 1.00 13.96 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -16.664 9.337 14.786 1.00 13.82 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -16.770 8.172 15.196 1.00 12.87 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -17.941 10.821 16.380 1.00 14.32 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -18.876 9.879 17.078 1.00 14.39 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -19.810 9.336 16.017 1.00 15.10 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -15.591 9.804 14.145 1.00 13.06 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -14.419 8.975 13.883 1.00 13.78 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -13.809 8.403 15.172 1.00 12.79 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -13.886 9.030 16.236 1.00 13.01 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -13.368 9.769 13.088 1.00 14.22 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -13.681 9.850 11.590 1.00 17.49 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -14.496 9.094 11.058 1.00 21.44 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -13.004 10.756 10.902 1.00 20.62 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.217 7.211 15.071 1.00 12.35 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -12.418 6.647 16.159 1.00 11.93 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -11.378 7.700 16.547 1.00 11.51 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -10.883 8.439 15.678 1.00 11.75 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -11.747 5.329 15.731 1.00 11.61 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -12.706 4.186 15.536 1.00 11.88 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.293 2.870 15.504 1.00 12.75 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -14.053 4.158 15.391 1.00 9.90 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -13.340 2.082 15.327 1.00 10.50 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -14.417 2.840 15.239 1.00 10.36 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.091 7.806 17.844 1.00 11.21 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.162 8.822 18.359 1.00 11.20 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.295 8.352 19.536 1.00 11.62 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -9.678 7.454 20.303 1.00 11.27 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -10.913 10.127 18.717 1.00 10.77 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.113 8.957 19.656 1.00 12.57 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.235 8.728 20.812 1.00 12.48 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -7.796 9.401 22.081 1.00 12.71 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.189 10.583 22.060 1.00 11.99 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -5.786 9.236 20.550 1.00 13.09 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -4.878 8.945 21.750 1.00 12.04 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.191 8.611 19.275 1.00 12.67 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -7.831 8.657 23.185 1.00 12.66 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.168 9.264 24.473 1.00 13.03 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.026 9.070 25.482 1.00 13.43 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.243 8.120 25.372 1.00 12.99 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -9.515 8.749 25.071 1.00 13.15 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -10.672 8.867 24.064 1.00 13.56 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.370 7.312 25.599 1.00 13.22 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -6.946 9.973 26.457 1.00 13.91 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -5.967 9.888 27.546 1.00 15.17 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -6.495 10.617 28.779 1.00 15.81 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -7.566 11.247 28.727 1.00 15.67 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -4.621 10.494 27.118 1.00 15.08 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -4.695 11.913 27.046 1.00 16.03 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -5.759 10.533 29.887 1.00 16.57 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -6.024 11.409 31.024 1.00 17.87 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -5.672 12.835 30.637 1.00 17.84 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -4.731 13.055 29.868 1.00 17.56 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -5.257 10.951 32.274 1.00 17.88 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -6.091 9.991 33.137 1.00 18.78 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -5.288 9.054 34.063 1.00 20.49 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -4.395 9.756 34.971 1.00 20.84 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -4.030 9.333 36.179 1.00 18.86 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -4.505 8.211 36.711 1.00 18.82 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.205 10.078 36.879 1.00 17.96 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -6.420 13.917 31.105 0.50 17.89 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -6.212 15.334 30.783 0.50 18.47 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -4.853 15.882 31.228 0.50 18.49 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -4.365 16.869 30.673 0.50 17.94 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -7.349 16.185 31.357 0.50 18.50 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -7.654 15.807 32.688 0.50 20.14 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -4.253 15.236 32.225 1.00 19.65 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -2.915 15.590 32.700 1.00 20.53 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -1.810 15.045 31.789 1.00 20.35 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -0.644 15.429 31.919 1.00 20.86 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -2.710 15.106 34.141 1.00 21.00 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -3.186 13.679 34.354 1.00 24.00 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -4.415 13.459 34.394 1.00 25.18 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -2.331 12.780 34.493 1.00 25.73 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -2.136 14.238 30.775 1.00 19.80 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -1.232 13.524 29.856 1.00 19.38 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -1.540 13.780 28.369 1.00 19.15 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -0.749 13.414 27.492 1.00 18.66 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -1.261 12.007 30.133 1.00 19.53 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -0.687 11.569 31.479 1.00 19.55 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 0.834 11.786 31.561 1.00 19.60 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 1.566 10.732 30.853 1.00 18.66 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 2.828 10.826 30.442 1.00 19.08 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 3.531 11.947 30.644 1.00 19.38 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 3.386 9.794 29.813 1.00 16.57 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -2.698 14.402 28.149 1.00 18.75 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -3.206 14.701 26.802 1.00 18.48 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -2.238 15.486 25.928 1.00 18.50 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -2.041 15.153 24.766 1.00 17.85 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -4.546 15.420 26.887 1.00 18.47 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -1.628 16.525 26.493 1.00 18.75 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -0.760 17.401 25.719 1.00 19.18 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 0.476 16.648 25.251 1.00 19.34 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 0.924 16.812 24.117 1.00 19.53 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -0.365 18.638 26.539 1.00 19.58 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 1.009 15.806 26.127 1.00 19.47 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 2.217 15.064 25.821 1.00 20.04 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 1.948 13.901 24.857 1.00 19.27 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.729 13.651 23.939 1.00 19.35 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 2.840 14.613 27.139 1.00 20.40 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 4.065 13.729 26.876 1.00 23.65 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 4.083 12.386 27.178 1.00 26.44 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 5.273 14.015 26.336 1.00 25.92 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 5.254 11.882 26.844 1.00 26.43 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 5.996 12.851 26.337 1.00 27.64 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.842 13.200 25.076 1.00 18.64 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 0.388 12.149 24.154 1.00 17.86 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 0.228 12.714 22.735 1.00 18.28 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.666 12.086 21.761 1.00 17.78 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -0.921 11.473 24.659 1.00 18.12 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -1.500 10.516 23.604 1.00 16.07 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -0.656 10.721 25.972 1.00 15.74 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -0.361 13.907 22.627 1.00 18.64 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -0.563 14.565 21.333 1.00 20.08 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.782 14.867 20.652 1.00 20.16 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.987 14.545 19.488 1.00 19.89 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -1.418 15.839 21.487 1.00 19.92 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -1.646 16.622 20.166 1.00 21.72 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -2.571 17.838 20.301 1.00 23.19 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -3.139 18.057 21.398 1.00 28.10 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -2.729 18.589 19.297 1.00 26.93 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 1.694 15.476 21.398 1.00 20.14 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 3.024 15.828 20.882 1.00 21.15 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.746 14.616 20.263 1.00 20.07 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 4.176 14.653 19.103 1.00 19.66 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.835 16.429 22.031 1.00 20.86 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 5.289 16.739 21.734 1.00 22.89 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 6.018 17.207 22.980 1.00 23.58 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 6.398 18.378 23.090 1.00 27.90 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.200 16.300 23.939 1.00 26.04 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.843 13.542 21.046 1.00 19.80 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 4.501 12.294 20.654 1.00 19.23 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.860 11.643 19.419 1.00 19.35 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 4.569 11.146 18.533 1.00 18.66 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 4.538 11.297 21.852 1.00 19.08 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 5.024 9.896 21.424 1.00 18.85 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 5.413 11.852 22.969 1.00 19.30 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 2.529 11.649 19.365 1.00 19.37 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.797 11.012 18.258 1.00 19.48 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.983 11.729 16.926 1.00 19.38 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 2.166 11.084 15.897 1.00 18.97 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 0.306 10.876 18.602 1.00 19.67 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.119 9.628 19.390 1.00 19.74 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 0.848 9.255 20.513 1.00 22.96 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -1.528 9.804 19.957 1.00 19.80 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.925 13.060 16.949 1.00 19.64 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 2.185 13.868 15.751 1.00 20.14 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 3.583 13.568 15.200 1.00 20.29 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.771 13.419 13.978 1.00 20.72 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 1.992 15.366 16.054 1.00 20.19 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 0.584 15.852 16.445 1.00 20.44 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 0.623 17.311 16.897 1.00 21.62 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -0.419 15.673 15.310 1.00 20.80 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 4.552 13.430 16.102 1.00 20.59 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.899 13.005 15.714 1.00 21.16 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.949 11.548 15.224 1.00 20.73 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.599 11.257 14.214 1.00 20.15 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.911 13.231 16.844 1.00 21.83 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 8.301 12.781 16.501 1.00 24.70 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 9.112 13.473 15.627 1.00 27.69 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 9.011 11.697 16.891 1.00 26.31 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 10.267 12.842 15.505 1.00 27.03 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 10.232 11.762 16.262 1.00 27.44 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 5.265 10.642 15.929 1.00 19.76 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 5.244 9.227 15.554 1.00 19.45 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.641 8.979 14.161 1.00 19.33 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 5.151 8.153 13.407 1.00 18.80 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 4.537 8.369 16.623 1.00 19.71 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 5.375 8.125 17.897 1.00 19.63 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 6.741 7.489 17.619 1.00 21.02 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 6.832 6.423 17.016 1.00 21.04 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 7.804 8.140 18.081 1.00 20.94 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.581 9.711 13.812 1.00 19.61 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 3.004 9.591 12.467 1.00 20.28 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.860 10.229 11.361 1.00 20.55 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.871 9.744 10.232 1.00 20.79 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 1.550 10.064 12.405 1.00 20.04 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 1.312 11.552 12.603 1.00 19.87 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.161 11.905 12.493 1.00 20.52 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.012 11.022 12.350 1.00 21.02 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -0.472 13.196 12.570 1.00 18.94 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 4.563 11.312 11.679 1.00 21.23 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 5.534 11.880 10.729 1.00 22.19 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 6.574 10.824 10.307 1.00 22.52 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 7.042 10.817 9.159 1.00 23.07 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 6.199 13.121 11.310 1.00 22.20 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.895 9.913 11.225 1.00 22.93 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.825 8.824 10.957 1.00 23.55 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 7.180 7.586 10.324 1.00 24.28 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.705 7.059 9.337 1.00 24.36 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 8.573 8.421 12.233 1.00 23.80 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 9.341 9.491 13.023 1.00 23.78 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 9.988 8.850 14.232 1.00 25.25 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 10.386 10.220 12.171 1.00 24.95 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 6.054 7.126 10.877 1.00 24.51 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 5.471 5.834 10.465 1.00 24.89 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 4.042 5.897 9.892 1.00 25.60 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 3.454 4.854 9.590 1.00 25.37 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 5.539 4.802 11.612 1.00 24.90 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.860 4.779 12.353 1.00 24.76 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 8.028 4.358 11.721 1.00 25.08 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.928 5.177 13.695 1.00 25.09 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 9.247 4.346 12.403 1.00 24.90 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 8.141 5.157 14.387 1.00 24.99 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 9.297 4.740 13.743 1.00 25.35 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 3.496 7.099 9.731 1.00 26.33 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 2.177 7.282 9.112 1.00 28.14 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 2.150 7.127 7.595 1.00 29.50 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 3.122 6.676 6.986 1.00 29.28 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 1.035 7.518 6.984 1.00 31.23 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.815 7.305 5.546 1.00 33.13 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 2.007 7.669 4.648 1.00 34.13 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 2.542 6.807 3.946 1.00 34.67 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.467 7.984 5.063 1.00 33.41 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -0.749 7.708 3.594 1.00 34.45 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.219 7.754 3.269 1.00 35.75 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -2.454 7.237 1.859 1.00 36.90 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -1.575 7.912 0.862 1.00 37.55 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.415 8.935 4.673 1.00 35.26 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.614 9.367 3.943 1.00 36.29 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.840 9.426 4.851 1.00 36.32 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.764 10.214 4.623 1.00 36.52 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.380 10.720 3.259 1.00 36.55 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.509 10.607 2.023 1.00 37.73 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 2.418 9.542 1.403 1.00 38.79 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 1.871 11.714 1.648 1.00 38.34 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.837 8.573 5.873 1.00 36.30 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.861 8.565 6.908 1.00 36.35 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 7.270 8.399 6.383 1.00 36.53 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.509 7.641 5.437 1.00 36.33 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 8.200 9.115 7.010 1.00 36.71 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.618 9.063 6.653 1.00 36.94 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 10.169 7.638 6.610 1.00 36.57 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 11.024 7.328 5.782 1.00 36.81 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.455 9.903 7.625 1.00 37.15 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.658 11.356 7.216 1.00 38.25 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 9.790 12.313 8.025 1.00 40.35 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 10.376 13.723 7.998 1.00 40.81 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 9.417 14.774 8.474 1.00 41.60 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.684 6.631 7.491 1.00 36.04 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 10.128 5.251 7.693 1.00 35.61 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 9.021 4.195 7.562 1.00 34.84 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 9.154 3.085 8.085 1.00 34.49 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 10.832 5.115 9.052 1.00 36.00 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 12.054 6.013 9.177 1.00 37.57 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.827 6.175 8.231 1.00 39.48 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 12.238 6.595 10.357 1.00 40.27 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.939 4.537 6.862 1.00 34.08 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.823 3.603 6.663 1.00 34.49 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 7.141 2.488 5.649 1.00 35.40 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 7.283 1.331 6.053 1.00 35.86 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 5.513 4.347 6.341 1.00 34.10 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 4.112 3.392 5.630 1.00 31.74 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 7.282 2.825 4.346 1.00 35.72 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 7.445 1.757 3.350 1.00 36.21 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 8.765 0.993 3.481 1.00 36.36 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 8.964 -0.016 2.799 1.00 37.12 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 7.405 2.511 2.011 1.00 36.14 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 6.857 3.866 2.328 1.00 36.06 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 7.322 4.154 3.711 1.00 35.81 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 9.645 1.471 4.358 1.00 36.32 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 10.965 0.877 4.547 1.00 36.09 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 11.064 0.053 5.832 1.00 35.41 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 11.583 -1.065 5.816 1.00 35.51 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 12.049 1.962 4.535 1.00 36.58 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 12.031 2.799 3.265 1.00 38.09 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 13.054 2.813 2.549 1.00 40.56 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 10.996 3.442 2.980 1.00 39.25 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 10.565 0.607 6.937 1.00 34.29 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.728 -0.012 8.254 1.00 33.24 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 9.404 -0.449 8.890 1.00 31.90 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 9.169 -1.645 9.072 1.00 32.12 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 11.511 0.914 9.198 1.00 33.36 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.871 1.360 8.656 1.00 33.99 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.590 2.312 9.604 1.00 33.98 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.484 1.566 10.585 1.00 36.27 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.187 2.494 11.513 1.00 37.23 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 8.547 0.518 9.220 1.00 30.37 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 7.279 0.239 9.903 1.00 28.68 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 6.211 1.287 9.593 1.00 27.86 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 6.482 2.487 9.622 1.00 27.39 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 7.501 0.142 11.421 1.00 28.36 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 6.236 -0.055 12.217 1.00 27.57 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 5.677 -1.322 12.359 1.00 27.64 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.610 1.027 12.832 1.00 26.30 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 4.508 -1.508 13.096 1.00 26.18 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 4.441 0.851 13.568 1.00 25.73 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 3.890 -0.419 13.702 1.00 26.30 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.997 0.820 9.306 1.00 26.70 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.848 1.703 9.118 1.00 25.92 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.854 1.528 10.262 1.00 24.81 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 2.509 0.403 10.633 1.00 23.83 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 3.167 1.445 7.772 1.00 26.32 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 4.284 1.498 6.355 1.00 29.00 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 2.401 2.651 10.811 1.00 23.82 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 1.541 2.658 11.991 1.00 23.29 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 0.088 2.331 11.648 1.00 22.99 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -0.640 1.777 12.475 1.00 22.49 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 1.618 4.020 12.688 1.00 23.41 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 1.948 4.085 14.184 1.00 24.36 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 2.076 5.534 14.628 1.00 23.51 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 0.939 3.341 15.052 1.00 22.10 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.326 2.674 10.429 1.00 22.55 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -1.714 2.491 9.998 1.00 22.88 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -1.897 1.317 9.026 1.00 23.63 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -2.844 1.296 8.236 1.00 23.40 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.265 3.790 9.390 1.00 22.45 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -2.095 5.000 10.272 1.00 22.85 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -2.905 5.186 11.389 1.00 22.01 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -1.129 5.958 9.978 1.00 23.29 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.751 6.305 12.205 1.00 22.77 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -0.968 7.081 10.787 1.00 23.29 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -1.780 7.255 11.903 1.00 22.52 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -0.990 0.344 9.094 1.00 24.24 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.079 -0.871 8.280 1.00 25.69 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -0.904 -2.129 9.126 1.00 26.04 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 0.070 -2.255 9.873 1.00 25.61 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.049 -0.849 7.143 1.00 26.25 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.596 -0.396 5.792 1.00 27.78 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -0.618 1.119 5.646 1.00 30.46 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -1.143 1.524 4.278 1.00 32.46 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -1.135 3.000 4.084 1.00 32.38 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -1.855 -3.055 9.001 1.00 26.85 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -1.837 -4.306 9.763 1.00 28.01 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -2.520 -5.462 9.022 1.00 28.91 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -3.093 -6.357 9.651 1.00 29.64 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -2.477 -4.100 11.143 1.00 27.94 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -3.822 -3.670 11.025 1.00 27.82 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -2.441 -5.435 7.690 0.50 29.38 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.030 -6.463 6.817 0.50 29.84 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -4.542 -6.613 7.028 0.50 29.82 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.010 -7.642 7.523 0.50 29.87 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -2.316 -7.815 6.985 0.50 29.88 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -0.823 -7.793 6.668 0.50 31.06 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -0.109 -9.072 7.077 0.50 32.72 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.832 -9.478 6.363 0.50 33.05 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -0.482 -9.672 8.109 0.50 33.47 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -5.285 -5.573 6.648 1.00 29.96 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -6.758 -5.503 6.774 1.00 30.06 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -7.353 -6.094 8.073 1.00 29.00 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -8.452 -6.657 8.072 1.00 30.07 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -7.496 -6.020 5.485 1.00 30.27 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -8.905 -5.785 5.605 1.00 33.14 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -7.245 -7.509 5.227 1.00 30.68 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -6.623 -5.937 9.177 1.00 26.99 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -7.062 -6.427 10.487 1.00 24.45 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.494 -5.297 11.422 1.00 22.21 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -8.154 -5.543 12.436 1.00 21.42 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -5.965 -7.268 11.149 1.00 24.56 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -5.828 -8.675 10.588 1.00 26.31 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -4.717 -9.442 11.286 1.00 25.77 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -4.578 -10.847 10.724 1.00 29.61 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -3.492 -11.610 11.399 1.00 29.97 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.115 -4.067 11.070 1.00 19.21 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -7.449 -2.856 11.834 1.00 17.28 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -6.922 -2.862 13.275 1.00 16.24 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -7.635 -2.492 14.214 1.00 15.86 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -8.962 -2.571 11.796 1.00 16.50 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -9.525 -2.549 10.382 1.00 16.00 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -10.537 -3.191 10.099 1.00 18.55 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -8.874 -1.811 9.489 1.00 13.14 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -5.669 -3.281 13.436 1.00 14.67 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -5.029 -3.353 14.750 1.00 14.15 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -4.530 -1.979 15.191 1.00 13.72 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -3.911 -1.257 14.404 1.00 13.29 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -3.875 -4.364 14.741 1.00 14.01 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.144 -5.806 14.289 1.00 14.11 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -2.833 -6.546 14.065 1.00 12.76 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.027 -6.565 15.276 1.00 14.60 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -4.807 -1.636 16.451 1.00 13.26 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -4.487 -0.325 17.046 1.00 12.57 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.258 0.824 16.388 1.00 12.13 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -6.049 1.505 17.046 1.00 11.56 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -2.972 -0.048 17.051 1.00 12.51 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.043 -1.009 17.803 1.00 12.62 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -0.591 -0.746 17.431 1.00 13.55 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -2.234 -0.923 19.316 1.00 13.00 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.113 1.095 15.061 1.00 11.63 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -5.828 2.086 14.256 1.00 11.99 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -6.469 1.390 13.076 1.00 12.09 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.058 0.291 12.704 1.00 12.44 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -4.879 3.165 13.721 1.00 11.76 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.094 3.848 14.790 1.00 13.40 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -4.650 4.910 15.498 1.00 13.34 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -2.820 3.409 15.120 1.00 12.87 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -3.945 5.537 16.509 1.00 12.52 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.099 4.040 16.136 1.00 14.23 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -2.671 5.101 16.825 1.00 12.08 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -7.474 2.032 12.488 1.00 12.15 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.059 1.543 11.246 1.00 13.16 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.045 1.667 10.126 1.00 13.73 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.341 2.675 10.026 1.00 13.26 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.329 2.316 10.903 1.00 12.81 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -10.511 1.878 11.747 1.00 11.90 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -10.800 0.680 11.854 1.00 11.64 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.204 2.838 12.339 1.00 11.62 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -6.994 0.638 9.291 1.00 15.16 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.038 0.559 8.188 1.00 15.99 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.273 1.635 7.124 1.00 16.35 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -5.379 1.915 6.313 1.00 16.42 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.079 -0.835 7.556 1.00 16.48 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -5.602 -1.924 8.498 1.00 18.11 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -4.794 -1.659 9.416 1.00 16.96 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -6.052 -3.068 8.325 1.00 21.59 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -7.460 2.242 7.132 1.00 16.13 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -7.756 3.344 6.216 1.00 17.01 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -7.431 4.744 6.756 1.00 17.20 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -7.715 5.747 6.099 1.00 17.44 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.197 3.258 5.676 1.00 16.76 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -10.253 3.591 6.728 1.00 17.86 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -9.959 3.732 7.919 1.00 17.45 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -11.492 3.698 6.285 1.00 17.81 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -6.828 4.807 7.946 1.00 17.77 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -6.436 6.079 8.544 1.00 18.30 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -5.313 6.738 7.724 1.00 18.66 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.253 6.149 7.537 1.00 18.66 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -5.965 5.898 10.010 1.00 17.89 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -6.972 5.198 10.760 1.00 17.38 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -5.689 7.257 10.659 1.00 18.29 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -5.564 7.949 7.236 1.00 19.65 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -4.532 8.728 6.521 1.00 21.11 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -3.613 9.420 7.520 1.00 20.72 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -2.398 9.501 7.312 1.00 21.53 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -5.177 9.765 5.592 1.00 21.04 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -4.159 10.583 4.781 1.00 23.24 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -4.724 11.862 4.185 1.00 23.63 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -5.943 12.132 4.314 1.00 26.58 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -3.920 12.622 3.591 1.00 29.46 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.207 9.926 8.603 1.00 20.26 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -3.476 10.559 9.693 1.00 19.77 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -4.374 10.698 10.911 1.00 18.97 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -5.590 10.519 10.823 1.00 18.48 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -2.959 11.956 9.288 1.00 19.95 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.206 13.275 9.268 1.00 22.38 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -3.755 11.032 12.038 1.00 18.55 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -4.480 11.483 13.217 1.00 18.54 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -4.542 13.012 13.158 1.00 19.14 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -3.508 13.689 13.044 1.00 19.77 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -3.788 10.997 14.492 1.00 18.10 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -3.664 9.480 14.681 1.00 17.60 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -2.683 9.169 15.816 1.00 18.87 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.024 8.829 14.940 1.00 18.03 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -5.754 13.552 13.198 1.00 19.48 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -5.958 14.991 13.013 1.00 19.79 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.240 15.719 14.317 1.00 20.21 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -6.841 15.166 15.244 1.00 19.68 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -7.087 15.251 12.004 1.00 19.78 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -5.809 16.974 14.373 1.00 21.17 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.084 17.833 15.511 1.00 21.67 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -7.582 18.094 15.624 1.00 22.16 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.304 18.166 14.613 1.00 21.29 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.309 19.147 15.392 1.00 22.36 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -3.796 18.989 15.592 1.00 23.77 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -3.101 20.334 15.493 1.00 26.47 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -1.715 20.300 16.114 1.00 28.59 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.305 21.671 16.561 1.00 30.47 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.048 18.232 16.860 1.00 22.42 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -9.465 18.413 17.117 1.00 23.37 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -9.931 19.864 16.968 1.00 24.59 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -10.843 20.136 16.195 1.00 25.79 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -9.852 17.831 18.482 1.00 23.00 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -9.437 16.369 18.710 1.00 22.09 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -9.632 15.971 20.154 1.00 21.51 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -10.182 15.425 17.789 1.00 21.51 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -9.348 20.795 17.722 1.00 25.23 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -9.808 22.184 17.621 1.00 26.03 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -11.143 22.358 18.397 1.00 25.73 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -12.053 21.527 18.279 1.00 26.69 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -11.236 23.426 19.194 1.00 25.31 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -12.371 23.690 20.029 1.00 24.14 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -12.140 22.925 21.333 1.00 23.24 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -13.019 22.851 22.195 1.00 22.96 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -10.923 22.388 21.471 1.00 22.10 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -10.544 21.543 22.613 1.00 21.37 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -11.772 20.854 23.211 1.00 19.60 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -12.149 21.145 24.352 1.00 19.67 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -9.811 22.362 23.676 1.00 22.14 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -8.441 22.844 23.239 1.00 24.95 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -7.691 23.511 24.368 1.00 28.95 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -6.345 23.875 23.931 1.00 33.11 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -5.292 23.061 23.960 1.00 35.68 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -5.408 21.821 24.421 1.00 37.13 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -4.112 23.495 23.527 1.00 38.25 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -12.394 19.934 22.440 1.00 18.18 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -13.713 19.435 22.832 1.00 17.07 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -13.701 18.466 24.001 1.00 16.22 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -12.781 17.640 24.155 1.00 15.47 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -14.228 18.732 21.566 1.00 16.95 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -12.975 18.300 20.838 1.00 17.10 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -11.907 19.312 21.190 1.00 17.86 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -14.750 18.574 24.804 1.00 15.34 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.086 17.576 25.797 1.00 14.87 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -15.482 16.310 25.037 1.00 14.94 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -15.740 16.369 23.826 1.00 14.00 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.269 18.049 26.659 1.00 14.88 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -17.432 18.186 25.831 1.00 13.26 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -15.954 19.398 27.299 1.00 14.62 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -15.549 15.173 25.730 1.00 15.26 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -15.939 13.941 25.056 1.00 15.55 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -17.357 14.051 24.485 1.00 16.36 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -17.638 13.502 23.417 1.00 15.71 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -15.782 12.707 25.965 1.00 15.81 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -16.961 12.427 26.883 1.00 15.45 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -17.969 11.540 26.501 1.00 15.82 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.058 13.038 28.134 1.00 14.74 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.059 11.272 27.341 1.00 15.74 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.148 12.770 28.990 1.00 16.47 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.133 11.889 28.577 1.00 16.76 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.204 11.624 29.397 1.00 15.89 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.241 14.766 25.191 1.00 16.92 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -19.613 14.994 24.718 1.00 18.40 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -19.658 15.852 23.454 1.00 17.77 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -20.417 15.548 22.527 1.00 18.40 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -20.472 15.639 25.806 1.00 18.39 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -20.818 14.718 26.981 1.00 19.89 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -21.691 15.419 28.015 1.00 22.16 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -21.554 16.657 28.178 1.00 29.17 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -22.531 14.745 28.661 1.00 27.91 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -18.855 16.915 23.417 1.00 17.11 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -18.733 17.748 22.216 1.00 16.89 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -18.170 16.961 21.034 1.00 16.70 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -18.649 17.115 19.899 1.00 16.11 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -17.871 18.980 22.482 1.00 16.74 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -18.553 20.048 23.302 1.00 16.69 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -17.600 21.212 23.334 1.00 16.71 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -16.393 20.991 23.579 1.00 15.92 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.047 22.349 23.096 1.00 17.43 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -17.185 16.100 21.303 1.00 15.74 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -16.616 15.244 20.254 1.00 16.12 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -17.633 14.267 19.661 1.00 16.58 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -17.676 14.062 18.441 1.00 16.71 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -15.367 14.473 20.725 1.00 15.38 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -14.778 13.667 19.583 1.00 14.98 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.019 14.291 18.589 1.00 15.32 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.042 12.301 19.456 1.00 14.21 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -13.516 13.578 17.512 1.00 15.42 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -14.550 11.573 18.374 1.00 15.08 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -13.783 12.219 17.405 1.00 15.21 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -13.295 11.519 16.330 1.00 13.77 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -18.426 13.640 20.522 1.00 17.25 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -19.347 12.611 20.075 1.00 18.49 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -20.584 13.254 19.450 1.00 19.85 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -21.200 12.678 18.540 1.00 19.70 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -19.724 11.689 21.236 1.00 18.30 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -18.607 10.774 21.762 1.00 17.27 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -19.092 9.988 22.973 1.00 16.27 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.104 9.821 20.647 1.00 15.41 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -20.966 14.462 19.990 1.00 20.53 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -22.160 15.206 19.602 1.00 22.16 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -23.337 14.895 20.505 1.00 23.15 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -23.551 13.740 20.880 1.00 23.14 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -24.103 15.931 20.842 1.00 24.23 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -25.262 15.816 21.734 1.00 25.24 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -26.309 14.829 21.202 1.00 25.43 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -27.027 14.196 21.980 1.00 25.69 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -25.923 17.197 21.979 1.00 25.68 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -24.848 18.139 21.868 1.00 27.17 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -26.570 17.337 23.354 1.00 25.86 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -26.378 14.707 19.877 1.00 25.69 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.283 13.773 19.176 1.00 26.15 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -26.943 12.315 19.530 1.00 25.28 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -27.833 11.518 19.837 1.00 25.18 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -27.152 14.035 17.629 1.00 26.37 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -27.954 13.181 16.575 1.00 27.84 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -27.538 13.361 15.084 1.00 28.50 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -28.431 13.559 14.221 1.00 31.65 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -26.323 13.294 14.795 1.00 33.37 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -25.656 11.979 19.462 1.00 24.15 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.190 10.611 19.691 1.00 23.10 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.076 10.260 21.178 1.00 23.12 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -25.335 9.120 21.566 1.00 23.05 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -23.862 10.364 18.959 1.00 22.20 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.251 8.994 19.185 1.00 21.04 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -23.955 7.828 18.873 1.00 21.01 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -21.960 8.865 19.697 1.00 20.40 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -23.394 6.571 19.081 1.00 19.38 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -21.388 7.612 19.902 1.00 18.29 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.111 6.471 19.594 1.00 20.12 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -21.549 5.232 19.800 1.00 18.64 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -24.694 11.240 21.998 1.00 23.38 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -24.562 11.050 23.449 1.00 23.94 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -25.899 10.661 24.093 1.00 24.55 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -25.951 9.755 24.930 1.00 24.75 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -23.952 12.305 24.142 1.00 23.76 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -24.040 12.203 25.663 1.00 23.96 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -22.503 12.501 23.716 1.00 23.08 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -26.971 11.339 23.685 1.00 25.21 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -28.321 11.043 24.173 1.00 26.04 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -28.843 9.700 23.658 1.00 25.93 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -29.653 9.049 24.321 1.00 26.77 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -29.327 12.157 23.800 1.00 25.78 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -29.216 12.461 22.404 1.00 27.70 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -29.066 13.417 24.616 1.00 25.60 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -28.371 9.297 22.478 1.00 26.04 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -28.757 8.024 21.865 1.00 26.07 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -28.214 6.818 22.633 1.00 26.11 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -28.873 5.778 22.707 1.00 25.88 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -28.313 7.977 20.409 1.00 26.11 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -27.015 6.963 23.197 1.00 26.11 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -26.414 5.919 24.031 1.00 26.26 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -27.099 5.880 25.396 1.00 26.88 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.431 4.804 25.896 1.00 27.14 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -24.889 6.124 24.229 1.00 26.07 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.192 6.399 22.894 1.00 26.10 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -24.264 4.905 24.913 1.00 25.37 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -22.898 7.175 23.031 1.00 25.99 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -27.314 7.059 25.981 1.00 27.64 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -27.941 7.195 27.299 1.00 28.48 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -29.341 6.582 27.357 1.00 28.87 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -29.753 6.060 28.395 1.00 29.26 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -27.983 8.660 27.717 1.00 28.35 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -30.062 6.651 26.239 1.00 29.61 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -31.374 6.019 26.113 1.00 30.10 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -31.282 4.497 26.000 1.00 30.08 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -32.169 3.780 26.467 1.00 29.73 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -32.141 6.598 24.921 1.00 30.71 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -32.696 7.984 25.198 1.00 32.47 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -33.396 8.201 26.188 1.00 34.06 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -32.393 8.929 24.316 1.00 33.58 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -30.206 4.018 25.378 1.00 29.81 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -29.957 2.585 25.228 1.00 29.39 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -29.390 1.976 26.513 1.00 29.91 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -29.660 0.814 26.828 1.00 29.29 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -29.012 2.326 24.047 1.00 29.11 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -28.701 0.883 23.626 1.00 28.71 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -29.922 0.187 23.031 1.00 27.95 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -27.542 0.856 22.642 1.00 27.88 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -28.615 2.772 27.250 1.00 30.99 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -27.985 2.333 28.500 1.00 32.15 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -28.985 2.104 29.637 1.00 32.77 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -28.662 1.443 30.628 1.00 32.95 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -26.905 3.330 28.942 1.00 32.13 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -25.602 3.261 28.147 1.00 33.10 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -24.725 2.093 28.582 1.00 33.39 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -23.427 2.055 27.790 1.00 33.60 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -22.552 0.926 28.211 1.00 34.05 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -30.191 2.652 29.489 1.00 33.73 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -31.263 2.474 30.472 1.00 34.76 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -31.789 1.039 30.508 1.00 35.30 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -32.304 0.586 31.533 1.00 35.46 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -32.417 3.445 30.203 1.00 34.77 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -32.131 4.890 30.596 1.00 35.83 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -33.415 5.709 30.722 1.00 37.56 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -33.921 6.212 29.373 1.00 38.21 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -33.098 7.337 28.846 1.00 39.95 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -31.655 0.336 29.385 1.00 35.66 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.097 -1.053 29.269 1.00 36.15 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.164 -2.021 29.996 1.00 36.92 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -31.616 -3.017 30.565 1.00 37.00 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.230 -1.448 27.797 1.00 36.04 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -33.470 -0.498 26.880 1.00 34.22 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -29.866 -1.722 29.971 1.00 37.75 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -28.861 -2.548 30.636 1.00 38.49 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -28.736 -2.183 32.112 1.00 38.78 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -29.525 -2.637 32.942 1.00 39.59 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -27.504 -2.405 29.944 1.00 38.53 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -27.568 -2.848 28.599 1.00 39.55 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -27.995 7.445 36.768 1.00 45.66 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -28.009 7.549 35.313 1.00 45.42 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -26.678 8.075 34.771 1.00 44.99 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -26.336 7.836 33.610 1.00 45.16 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -29.168 8.441 34.851 1.00 45.54 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -29.707 8.261 33.428 1.00 45.81 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -30.522 6.978 33.303 1.00 46.10 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -30.546 9.461 33.022 1.00 45.66 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -25.936 8.786 35.619 1.00 44.38 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -24.624 9.323 35.253 1.00 43.45 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -23.538 8.946 36.266 1.00 42.50 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -23.550 9.408 37.412 1.00 42.58 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -24.683 10.846 35.047 1.00 43.81 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -25.329 11.638 36.186 1.00 44.63 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -24.998 13.120 36.141 1.00 45.23 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -23.818 13.470 35.921 1.00 45.71 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -25.921 13.939 36.337 1.00 45.39 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -22.608 8.097 35.828 1.00 40.85 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -21.485 7.638 36.650 1.00 39.17 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -20.467 6.868 35.812 1.00 37.91 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -20.781 6.401 34.714 1.00 37.67 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -21.982 6.765 37.807 1.00 39.31 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -19.248 6.745 36.336 1.00 35.80 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -18.226 5.895 35.731 1.00 35.28 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -18.580 4.429 35.966 1.00 35.44 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -18.979 4.048 37.070 1.00 35.55 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -16.844 6.215 36.308 1.00 34.50 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -15.501 5.136 35.734 1.00 32.12 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -18.434 3.618 34.921 1.00 35.41 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -18.792 2.199 34.969 1.00 35.45 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -17.864 1.374 35.864 1.00 35.54 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -18.229 0.280 36.304 1.00 35.81 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -18.829 1.616 33.560 1.00 35.35 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -16.674 1.906 36.133 1.00 35.43 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -15.671 1.210 36.935 1.00 35.15 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -15.483 1.869 38.300 1.00 35.58 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -15.421 3.094 38.408 1.00 36.04 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -14.334 1.144 36.189 1.00 34.82 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -14.467 0.804 34.728 1.00 33.58 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -14.757 -0.497 34.322 1.00 33.07 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -14.299 1.786 33.756 1.00 32.37 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -14.880 -0.812 32.970 1.00 32.49 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -14.420 1.481 32.402 1.00 31.69 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -14.711 0.179 32.009 1.00 32.85 ? 686 PHE A CZ 1 HETATM 2605 O O1 . DXI B 2 . ? -19.913 16.200 14.533 1.00 36.48 ? 1 DXI A O1 1 HETATM 2606 O O2 . DXI B 2 . ? -19.556 18.624 16.523 1.00 36.36 ? 1 DXI A O2 1 HETATM 2607 O O3 . DXI B 2 . ? -18.651 14.667 13.293 1.00 39.06 ? 1 DXI A O3 1 HETATM 2608 O O4 . DXI B 2 . ? -20.976 19.180 18.247 1.00 36.22 ? 1 DXI A O4 1 HETATM 2609 O O5 . DXI B 2 . ? -21.983 15.190 12.092 1.00 39.29 ? 1 DXI A O5 1 HETATM 2610 O O6 . DXI B 2 . ? -16.970 16.796 17.318 1.00 35.41 ? 1 DXI A O6 1 HETATM 2611 O O7 . DXI B 2 . ? -16.755 14.699 15.516 1.00 32.68 ? 1 DXI A O7 1 HETATM 2612 O O8 . DXI B 2 . ? -20.615 11.788 12.765 1.00 40.94 ? 1 DXI A O8 1 HETATM 2613 O O9 . DXI B 2 . ? -17.591 20.346 17.560 1.00 33.82 ? 1 DXI A O9 1 HETATM 2614 O O10 . DXI B 2 . ? -18.543 22.316 19.326 1.00 37.62 ? 1 DXI A O10 1 HETATM 2615 O O11 . DXI B 2 . ? -20.590 21.561 21.025 1.00 32.75 ? 1 DXI A O11 1 HETATM 2616 O O12 . DXI B 2 . ? -22.455 14.260 14.701 1.00 39.35 ? 1 DXI A O12 1 HETATM 2617 O O13 . DXI B 2 . ? -22.468 16.978 14.587 1.00 37.13 ? 1 DXI A O13 1 HETATM 2618 O O14 . DXI B 2 . ? -24.056 14.546 12.647 1.00 39.43 ? 1 DXI A O14 1 HETATM 2619 O O15 . DXI B 2 . ? -21.414 15.107 9.486 1.00 42.67 ? 1 DXI A O15 1 HETATM 2620 O O16 . DXI B 2 . ? -23.196 18.370 19.380 1.00 33.67 ? 1 DXI A O16 1 HETATM 2621 C C17 . DXI B 2 . ? -19.308 17.213 16.635 1.00 36.11 ? 1 DXI A C17 1 HETATM 2622 C C18 . DXI B 2 . ? -18.125 16.234 16.728 1.00 35.43 ? 1 DXI A C18 1 HETATM 2623 C C19 . DXI B 2 . ? -17.732 15.698 15.344 1.00 35.68 ? 1 DXI A C19 1 HETATM 2624 C C20 . DXI B 2 . ? -20.430 16.596 15.789 1.00 36.59 ? 1 DXI A C20 1 HETATM 2625 C C21 . DXI B 2 . ? -18.962 15.159 14.607 1.00 36.80 ? 1 DXI A C21 1 HETATM 2626 C C22 . DXI B 2 . ? -19.887 14.099 12.823 1.00 39.32 ? 1 DXI A C22 1 HETATM 2627 C C23 . DXI B 2 . ? -19.621 19.080 17.855 1.00 35.69 ? 1 DXI A C23 1 HETATM 2628 C C24 . DXI B 2 . ? -20.748 12.995 13.492 1.00 39.61 ? 1 DXI A C24 1 HETATM 2629 C C25 . DXI B 2 . ? -20.625 14.956 11.771 1.00 39.91 ? 1 DXI A C25 1 HETATM 2630 C C26 . DXI B 2 . ? -18.956 20.454 17.903 1.00 34.14 ? 1 DXI A C26 1 HETATM 2631 C C27 . DXI B 2 . ? -19.098 21.026 19.308 1.00 35.24 ? 1 DXI A C27 1 HETATM 2632 C C28 . DXI B 2 . ? -20.571 21.065 19.708 1.00 34.79 ? 1 DXI A C28 1 HETATM 2633 C C29 . DXI B 2 . ? -22.241 13.355 13.647 1.00 39.61 ? 1 DXI A C29 1 HETATM 2634 C C30 . DXI B 2 . ? -21.177 19.654 19.568 1.00 34.88 ? 1 DXI A C30 1 HETATM 2635 C C31 . DXI B 2 . ? -21.589 17.559 15.519 1.00 36.93 ? 1 DXI A C31 1 HETATM 2636 C C32 . DXI B 2 . ? -22.768 14.058 12.396 1.00 39.01 ? 1 DXI A C32 1 HETATM 2637 C C33 . DXI B 2 . ? -20.578 14.373 10.351 1.00 40.77 ? 1 DXI A C33 1 HETATM 2638 C C34 . DXI B 2 . ? -22.689 19.615 19.800 1.00 35.28 ? 1 DXI A C34 1 HETATM 2639 C C1 . NAG C 3 . ? 14.114 14.787 19.403 1.00 46.30 ? 2 NAG A C1 1 HETATM 2640 C C2 . NAG C 3 . ? 15.048 15.892 19.912 1.00 47.63 ? 2 NAG A C2 1 HETATM 2641 C C3 . NAG C 3 . ? 14.649 17.260 19.337 1.00 48.53 ? 2 NAG A C3 1 HETATM 2642 C C4 . NAG C 3 . ? 14.166 17.227 17.880 1.00 48.80 ? 2 NAG A C4 1 HETATM 2643 C C5 . NAG C 3 . ? 13.300 15.995 17.603 1.00 48.30 ? 2 NAG A C5 1 HETATM 2644 C C6 . NAG C 3 . ? 12.786 15.894 16.162 1.00 48.60 ? 2 NAG A C6 1 HETATM 2645 C C7 . NAG C 3 . ? 15.783 15.256 22.189 1.00 48.53 ? 2 NAG A C7 1 HETATM 2646 C C8 . NAG C 3 . ? 15.890 15.771 23.594 1.00 48.29 ? 2 NAG A C8 1 HETATM 2647 N N2 . NAG C 3 . ? 15.001 15.965 21.367 1.00 48.12 ? 2 NAG A N2 1 HETATM 2648 O O3 . NAG C 3 . ? 15.736 18.156 19.446 1.00 49.05 ? 2 NAG A O3 1 HETATM 2649 O O4 . NAG C 3 . ? 13.420 18.394 17.623 1.00 49.72 ? 2 NAG A O4 1 HETATM 2650 O O5 . NAG C 3 . ? 14.030 14.844 17.988 1.00 47.36 ? 2 NAG A O5 1 HETATM 2651 O O6 . NAG C 3 . ? 13.823 15.596 15.250 1.00 50.25 ? 2 NAG A O6 1 HETATM 2652 O O7 . NAG C 3 . ? 16.387 14.230 21.862 1.00 48.85 ? 2 NAG A O7 1 HETATM 2653 C C1 . NAG D 3 . ? 12.181 10.045 20.633 1.00 35.44 ? 687 NAG A C1 1 HETATM 2654 C C2 . NAG D 3 . ? 12.476 10.347 19.157 1.00 37.36 ? 687 NAG A C2 1 HETATM 2655 C C3 . NAG D 3 . ? 13.562 11.429 19.030 1.00 39.23 ? 687 NAG A C3 1 HETATM 2656 C C4 . NAG D 3 . ? 13.295 12.647 19.918 1.00 40.34 ? 687 NAG A C4 1 HETATM 2657 C C5 . NAG D 3 . ? 12.870 12.218 21.328 1.00 39.59 ? 687 NAG A C5 1 HETATM 2658 C C6 . NAG D 3 . ? 12.414 13.392 22.196 1.00 39.77 ? 687 NAG A C6 1 HETATM 2659 C C7 . NAG D 3 . ? 11.983 8.394 17.715 1.00 36.08 ? 687 NAG A C7 1 HETATM 2660 C C8 . NAG D 3 . ? 12.602 7.420 16.760 1.00 34.36 ? 687 NAG A C8 1 HETATM 2661 N N2 . NAG D 3 . ? 12.845 9.133 18.437 1.00 35.82 ? 687 NAG A N2 1 HETATM 2662 O O3 . NAG D 3 . ? 13.668 11.881 17.696 1.00 39.32 ? 687 NAG A O3 1 HETATM 2663 O O4 . NAG D 3 . ? 14.445 13.483 19.947 1.00 43.44 ? 687 NAG A O4 1 HETATM 2664 O O5 . NAG D 3 . ? 11.820 11.267 21.251 1.00 37.86 ? 687 NAG A O5 1 HETATM 2665 O O6 . NAG D 3 . ? 11.341 14.080 21.587 1.00 40.78 ? 687 NAG A O6 1 HETATM 2666 O O7 . NAG D 3 . ? 10.744 8.464 17.799 1.00 34.77 ? 687 NAG A O7 1 HETATM 2667 C C1 . NAG E 3 . ? -34.391 6.564 20.863 1.00 40.58 ? 3 NAG A C1 1 HETATM 2668 C C2 . NAG E 3 . ? -33.446 7.416 20.004 1.00 42.89 ? 3 NAG A C2 1 HETATM 2669 C C3 . NAG E 3 . ? -33.036 8.720 20.700 1.00 43.98 ? 3 NAG A C3 1 HETATM 2670 C C4 . NAG E 3 . ? -34.213 9.430 21.384 1.00 45.43 ? 3 NAG A C4 1 HETATM 2671 C C5 . NAG E 3 . ? -35.040 8.420 22.193 1.00 44.33 ? 3 NAG A C5 1 HETATM 2672 C C6 . NAG E 3 . ? -36.270 9.036 22.866 1.00 45.15 ? 3 NAG A C6 1 HETATM 2673 C C7 . NAG E 3 . ? -31.889 6.464 18.364 1.00 42.90 ? 3 NAG A C7 1 HETATM 2674 C C8 . NAG E 3 . ? -30.661 5.624 18.154 1.00 42.74 ? 3 NAG A C8 1 HETATM 2675 N N2 . NAG E 3 . ? -32.266 6.650 19.630 1.00 42.64 ? 3 NAG A N2 1 HETATM 2676 O O3 . NAG E 3 . ? -32.456 9.596 19.755 1.00 43.65 ? 3 NAG A O3 1 HETATM 2677 O O4 . NAG E 3 . ? -33.709 10.452 22.225 1.00 48.71 ? 3 NAG A O4 1 HETATM 2678 O O5 . NAG E 3 . ? -35.455 7.366 21.344 1.00 42.43 ? 3 NAG A O5 1 HETATM 2679 O O6 . NAG E 3 . ? -37.186 9.513 21.902 1.00 45.06 ? 3 NAG A O6 1 HETATM 2680 O O7 . NAG E 3 . ? -32.486 6.941 17.393 1.00 43.41 ? 3 NAG A O7 1 HETATM 2681 C C1 . NAG F 3 . ? -34.136 11.767 21.818 1.00 51.40 ? 4 NAG A C1 1 HETATM 2682 C C2 . NAG F 3 . ? -34.196 12.667 23.052 1.00 52.80 ? 4 NAG A C2 1 HETATM 2683 C C3 . NAG F 3 . ? -34.600 14.095 22.679 1.00 53.96 ? 4 NAG A C3 1 HETATM 2684 C C4 . NAG F 3 . ? -33.839 14.643 21.464 1.00 54.83 ? 4 NAG A C4 1 HETATM 2685 C C5 . NAG F 3 . ? -33.786 13.591 20.342 1.00 53.84 ? 4 NAG A C5 1 HETATM 2686 C C6 . NAG F 3 . ? -32.943 14.020 19.141 1.00 54.08 ? 4 NAG A C6 1 HETATM 2687 C C7 . NAG F 3 . ? -34.797 11.708 25.241 1.00 52.84 ? 4 NAG A C7 1 HETATM 2688 C C8 . NAG F 3 . ? -35.935 11.408 26.170 1.00 52.67 ? 4 NAG A C8 1 HETATM 2689 N N2 . NAG F 3 . ? -35.136 12.123 24.017 1.00 52.88 ? 4 NAG A N2 1 HETATM 2690 O O3 . NAG F 3 . ? -34.411 14.943 23.792 1.00 54.86 ? 4 NAG A O3 1 HETATM 2691 O O4 . NAG F 3 . ? -34.508 15.819 21.038 1.00 57.11 ? 4 NAG A O4 1 HETATM 2692 O O5 . NAG F 3 . ? -33.298 12.355 20.839 1.00 52.64 ? 4 NAG A O5 1 HETATM 2693 O O6 . NAG F 3 . ? -31.577 13.726 19.351 1.00 54.03 ? 4 NAG A O6 1 HETATM 2694 O O7 . NAG F 3 . ? -33.637 11.565 25.631 1.00 52.61 ? 4 NAG A O7 1 HETATM 2695 C C1 . MAN G 4 . ? -33.652 16.987 20.985 1.00 59.44 ? 5 MAN A C1 1 HETATM 2696 C C2 . MAN G 4 . ? -33.590 17.705 22.339 1.00 60.15 ? 5 MAN A C2 1 HETATM 2697 C C3 . MAN G 4 . ? -33.532 19.228 22.202 1.00 60.75 ? 5 MAN A C3 1 HETATM 2698 C C4 . MAN G 4 . ? -32.738 19.660 20.973 1.00 60.99 ? 5 MAN A C4 1 HETATM 2699 C C5 . MAN G 4 . ? -33.253 19.001 19.692 1.00 60.94 ? 5 MAN A C5 1 HETATM 2700 C C6 . MAN G 4 . ? -32.099 18.637 18.759 1.00 61.26 ? 5 MAN A C6 1 HETATM 2701 O O2 . MAN G 4 . ? -32.459 17.245 23.049 1.00 60.55 ? 5 MAN A O2 1 HETATM 2702 O O3 . MAN G 4 . ? -32.943 19.801 23.350 1.00 61.21 ? 5 MAN A O3 1 HETATM 2703 O O4 . MAN G 4 . ? -32.852 21.057 20.825 1.00 61.74 ? 5 MAN A O4 1 HETATM 2704 O O5 . MAN G 4 . ? -34.074 17.869 19.955 1.00 60.46 ? 5 MAN A O5 1 HETATM 2705 O O6 . MAN G 4 . ? -31.644 19.812 18.125 1.00 61.46 ? 5 MAN A O6 1 HETATM 2706 C C1 . NAG H 3 . ? -17.728 4.159 1.139 1.00 25.36 ? 8 NAG A C1 1 HETATM 2707 C C2 . NAG H 3 . ? -17.666 5.605 0.626 1.00 28.51 ? 8 NAG A C2 1 HETATM 2708 C C3 . NAG H 3 . ? -16.732 5.717 -0.587 1.00 30.43 ? 8 NAG A C3 1 HETATM 2709 C C4 . NAG H 3 . ? -15.366 5.060 -0.349 1.00 30.74 ? 8 NAG A C4 1 HETATM 2710 C C5 . NAG H 3 . ? -15.517 3.690 0.336 1.00 28.90 ? 8 NAG A C5 1 HETATM 2711 C C6 . NAG H 3 . ? -14.183 3.190 0.873 1.00 27.59 ? 8 NAG A C6 1 HETATM 2712 C C7 . NAG H 3 . ? -19.576 7.157 0.850 1.00 29.16 ? 8 NAG A C7 1 HETATM 2713 C C8 . NAG H 3 . ? -20.947 7.498 0.344 1.00 30.46 ? 8 NAG A C8 1 HETATM 2714 N N2 . NAG H 3 . ? -18.995 6.092 0.297 1.00 29.06 ? 8 NAG A N2 1 HETATM 2715 O O3 . NAG H 3 . ? -16.554 7.081 -0.903 1.00 31.86 ? 8 NAG A O3 1 HETATM 2716 O O4 . NAG H 3 . ? -14.671 4.906 -1.575 1.00 35.24 ? 8 NAG A O4 1 HETATM 2717 O O5 . NAG H 3 . ? -16.409 3.753 1.436 1.00 25.72 ? 8 NAG A O5 1 HETATM 2718 O O6 . NAG H 3 . ? -13.724 4.114 1.833 1.00 27.72 ? 8 NAG A O6 1 HETATM 2719 O O7 . NAG H 3 . ? -19.062 7.855 1.721 1.00 29.76 ? 8 NAG A O7 1 HETATM 2720 C C1 . NAG I 3 . ? -13.397 5.592 -1.603 1.00 38.94 ? 9 NAG A C1 1 HETATM 2721 C C2 . NAG I 3 . ? -12.499 4.881 -2.626 1.00 40.85 ? 9 NAG A C2 1 HETATM 2722 C C3 . NAG I 3 . ? -11.245 5.675 -3.009 1.00 42.73 ? 9 NAG A C3 1 HETATM 2723 C C4 . NAG I 3 . ? -11.605 7.139 -3.309 1.00 44.30 ? 9 NAG A C4 1 HETATM 2724 C C5 . NAG I 3 . ? -12.351 7.718 -2.102 1.00 43.03 ? 9 NAG A C5 1 HETATM 2725 C C6 . NAG I 3 . ? -12.689 9.190 -2.331 1.00 43.00 ? 9 NAG A C6 1 HETATM 2726 C C7 . NAG I 3 . ? -12.372 2.426 -2.764 1.00 40.75 ? 9 NAG A C7 1 HETATM 2727 C C8 . NAG I 3 . ? -11.472 1.267 -2.454 1.00 40.82 ? 9 NAG A C8 1 HETATM 2728 N N2 . NAG I 3 . ? -12.120 3.572 -2.120 1.00 40.81 ? 9 NAG A N2 1 HETATM 2729 O O3 . NAG I 3 . ? -10.654 5.059 -4.131 1.00 42.68 ? 9 NAG A O3 1 HETATM 2730 O O4 . NAG I 3 . ? -10.547 8.018 -3.715 1.00 48.00 ? 9 NAG A O4 1 HETATM 2731 O O5 . NAG I 3 . ? -13.544 6.977 -1.877 1.00 41.34 ? 9 NAG A O5 1 HETATM 2732 O O6 . NAG I 3 . ? -13.681 9.611 -1.422 1.00 43.92 ? 9 NAG A O6 1 HETATM 2733 O O7 . NAG I 3 . ? -13.285 2.277 -3.571 1.00 40.89 ? 9 NAG A O7 1 HETATM 2734 C C1 . MAN J 4 . ? -9.194 7.528 -3.579 1.00 50.80 ? 10 MAN A C1 1 HETATM 2735 C C2 . MAN J 4 . ? -8.326 8.514 -2.793 1.00 52.51 ? 10 MAN A C2 1 HETATM 2736 C C3 . MAN J 4 . ? -7.824 9.678 -3.651 1.00 53.19 ? 10 MAN A C3 1 HETATM 2737 C C4 . MAN J 4 . ? -7.283 9.220 -5.004 1.00 53.40 ? 10 MAN A C4 1 HETATM 2738 C C5 . MAN J 4 . ? -8.227 8.229 -5.693 1.00 53.46 ? 10 MAN A C5 1 HETATM 2739 C C6 . MAN J 4 . ? -7.567 7.656 -6.949 1.00 53.93 ? 10 MAN A C6 1 HETATM 2740 O O2 . MAN J 4 . ? -7.230 7.807 -2.255 1.00 52.98 ? 10 MAN A O2 1 HETATM 2741 O O3 . MAN J 4 . ? -6.794 10.365 -2.970 1.00 54.67 ? 10 MAN A O3 1 HETATM 2742 O O4 . MAN J 4 . ? -7.085 10.360 -5.813 1.00 53.89 ? 10 MAN A O4 1 HETATM 2743 O O5 . MAN J 4 . ? -8.590 7.169 -4.815 1.00 52.46 ? 10 MAN A O5 1 HETATM 2744 O O6 . MAN J 4 . ? -8.110 6.391 -7.276 1.00 54.71 ? 10 MAN A O6 1 HETATM 2745 S S . SO4 K 5 . ? -32.500 -6.281 -4.703 1.00 40.43 ? 68 SO4 A S 1 HETATM 2746 O O1 . SO4 K 5 . ? -32.460 -5.340 -3.591 1.00 39.65 ? 68 SO4 A O1 1 HETATM 2747 O O2 . SO4 K 5 . ? -33.815 -6.212 -5.338 1.00 41.15 ? 68 SO4 A O2 1 HETATM 2748 O O3 . SO4 K 5 . ? -31.464 -5.935 -5.670 1.00 40.50 ? 68 SO4 A O3 1 HETATM 2749 O O4 . SO4 K 5 . ? -32.274 -7.643 -4.229 1.00 40.02 ? 68 SO4 A O4 1 HETATM 2750 ZN ZN . ZN L 6 . ? -16.160 23.146 24.108 1.00 17.96 ? 81 ZN A ZN 1 HETATM 2751 ZN ZN . ZN M 6 . ? -27.853 10.735 7.432 1.00 24.62 ? 82 ZN A ZN 1 HETATM 2752 FE FE . FE N 7 . ? -16.640 2.478 15.004 1.00 13.15 ? 84 FE A FE 1 HETATM 2753 C C . CO3 O 8 . ? -18.047 0.414 15.241 1.00 13.49 ? 85 CO3 A C 1 HETATM 2754 O O1 . CO3 O 8 . ? -16.782 0.381 15.571 1.00 13.28 ? 85 CO3 A O1 1 HETATM 2755 O O2 . CO3 O 8 . ? -18.566 1.537 14.828 1.00 14.30 ? 85 CO3 A O2 1 HETATM 2756 O O3 . CO3 O 8 . ? -18.786 -0.647 15.310 1.00 12.58 ? 85 CO3 A O3 1 HETATM 2757 O O . HOH P 9 . ? -19.723 -10.420 14.251 1.00 12.90 ? 806 HOH A O 1 HETATM 2758 O O . HOH P 9 . ? -29.893 7.240 5.150 1.00 18.99 ? 807 HOH A O 1 HETATM 2759 O O . HOH P 9 . ? -27.922 -11.743 3.902 1.00 17.66 ? 808 HOH A O 1 HETATM 2760 O O . HOH P 9 . ? -9.821 0.217 7.429 1.00 20.21 ? 809 HOH A O 1 HETATM 2761 O O . HOH P 9 . ? -31.426 4.763 5.912 1.00 22.68 ? 810 HOH A O 1 HETATM 2762 O O . HOH P 9 . ? -8.800 -4.320 17.722 1.00 14.02 ? 811 HOH A O 1 HETATM 2763 O O . HOH P 9 . ? -3.438 9.197 30.172 1.00 16.00 ? 812 HOH A O 1 HETATM 2764 O O . HOH P 9 . ? -17.160 -4.734 23.555 1.00 21.53 ? 813 HOH A O 1 HETATM 2765 O O . HOH P 9 . ? -5.605 -0.406 21.272 1.00 14.17 ? 814 HOH A O 1 HETATM 2766 O O . HOH P 9 . ? -24.555 0.025 11.617 1.00 20.35 ? 815 HOH A O 1 HETATM 2767 O O . HOH P 9 . ? -8.226 -6.587 19.367 1.00 14.53 ? 816 HOH A O 1 HETATM 2768 O O . HOH P 9 . ? -11.913 0.298 9.380 1.00 18.44 ? 817 HOH A O 1 HETATM 2769 O O . HOH P 9 . ? -11.457 -12.939 10.643 1.00 16.61 ? 818 HOH A O 1 HETATM 2770 O O . HOH P 9 . ? -8.340 0.168 20.757 1.00 12.20 ? 819 HOH A O 1 HETATM 2771 O O . HOH P 9 . ? -17.542 5.905 16.502 1.00 12.00 ? 820 HOH A O 1 HETATM 2772 O O . HOH P 9 . ? -5.187 -8.281 19.307 1.00 14.71 ? 821 HOH A O 1 HETATM 2773 O O . HOH P 9 . ? -30.896 -10.134 19.708 1.00 22.26 ? 822 HOH A O 1 HETATM 2774 O O . HOH P 9 . ? -5.132 1.907 19.878 1.00 11.88 ? 823 HOH A O 1 HETATM 2775 O O . HOH P 9 . ? -3.411 -6.006 31.726 1.00 14.56 ? 824 HOH A O 1 HETATM 2776 O O . HOH P 9 . ? -7.297 -3.683 33.324 1.00 14.73 ? 825 HOH A O 1 HETATM 2777 O O . HOH P 9 . ? -11.826 -4.742 11.873 1.00 11.48 ? 826 HOH A O 1 HETATM 2778 O O . HOH P 9 . ? -9.688 2.324 15.136 1.00 14.70 ? 827 HOH A O 1 HETATM 2779 O O . HOH P 9 . ? -11.863 -0.713 14.223 1.00 15.02 ? 828 HOH A O 1 HETATM 2780 O O . HOH P 9 . ? -7.277 -7.589 30.771 1.00 19.37 ? 829 HOH A O 1 HETATM 2781 O O . HOH P 9 . ? -12.357 0.709 19.352 1.00 20.11 ? 830 HOH A O 1 HETATM 2782 O O . HOH P 9 . ? -35.997 -1.881 -2.113 1.00 28.46 ? 831 HOH A O 1 HETATM 2783 O O . HOH P 9 . ? -31.454 -15.336 -4.370 1.00 24.11 ? 832 HOH A O 1 HETATM 2784 O O . HOH P 9 . ? -18.211 5.437 5.892 1.00 24.48 ? 833 HOH A O 1 HETATM 2785 O O . HOH P 9 . ? -17.985 -12.162 25.404 1.00 27.13 ? 834 HOH A O 1 HETATM 2786 O O . HOH P 9 . ? -10.331 -11.632 13.945 1.00 22.96 ? 835 HOH A O 1 HETATM 2787 O O . HOH P 9 . ? -25.735 -12.250 -2.656 1.00 21.91 ? 836 HOH A O 1 HETATM 2788 O O . HOH P 9 . ? -14.221 13.165 30.133 1.00 18.22 ? 837 HOH A O 1 HETATM 2789 O O . HOH P 9 . ? -34.639 -1.805 4.660 1.00 21.89 ? 838 HOH A O 1 HETATM 2790 O O . HOH P 9 . ? -26.137 -14.047 4.671 1.00 17.82 ? 839 HOH A O 1 HETATM 2791 O O . HOH P 9 . ? -17.569 0.291 26.822 1.00 15.60 ? 840 HOH A O 1 HETATM 2792 O O . HOH P 9 . ? -7.937 -0.680 18.084 1.00 18.50 ? 841 HOH A O 1 HETATM 2793 O O . HOH P 9 . ? -25.247 -11.142 26.858 1.00 24.39 ? 842 HOH A O 1 HETATM 2794 O O . HOH P 9 . ? -12.817 6.111 12.445 1.00 13.97 ? 843 HOH A O 1 HETATM 2795 O O . HOH P 9 . ? -8.368 -0.006 15.491 1.00 19.16 ? 844 HOH A O 1 HETATM 2796 O O . HOH P 9 . ? -10.766 -1.103 20.796 1.00 13.70 ? 845 HOH A O 1 HETATM 2797 O O . HOH P 9 . ? -10.363 6.100 9.529 1.00 23.15 ? 846 HOH A O 1 HETATM 2798 O O . HOH P 9 . ? -34.752 -14.210 1.892 1.00 28.60 ? 847 HOH A O 1 HETATM 2799 O O . HOH P 9 . ? -29.704 -16.179 25.383 1.00 28.33 ? 848 HOH A O 1 HETATM 2800 O O . HOH P 9 . ? -2.186 17.547 29.391 1.00 25.23 ? 849 HOH A O 1 HETATM 2801 O O . HOH P 9 . ? 0.735 16.372 28.848 1.00 31.89 ? 850 HOH A O 1 HETATM 2802 O O . HOH P 9 . ? -14.195 3.584 12.177 1.00 13.59 ? 851 HOH A O 1 HETATM 2803 O O . HOH P 9 . ? -16.391 -15.998 2.383 1.00 41.11 ? 852 HOH A O 1 HETATM 2804 O O . HOH P 9 . ? 1.105 3.916 8.389 1.00 20.09 ? 853 HOH A O 1 HETATM 2805 O O . HOH P 9 . ? -0.042 9.846 8.665 1.00 31.32 ? 854 HOH A O 1 HETATM 2806 O O . HOH P 9 . ? -10.775 20.857 26.737 1.00 20.40 ? 855 HOH A O 1 HETATM 2807 O O . HOH P 9 . ? -9.543 -4.348 15.035 1.00 18.49 ? 856 HOH A O 1 HETATM 2808 O O . HOH P 9 . ? -3.698 0.076 11.312 1.00 20.91 ? 857 HOH A O 1 HETATM 2809 O O . HOH P 9 . ? -10.931 -2.795 18.684 1.00 18.03 ? 858 HOH A O 1 HETATM 2810 O O . HOH P 9 . ? -14.389 15.373 28.434 1.00 13.52 ? 859 HOH A O 1 HETATM 2811 O O . HOH P 9 . ? -29.424 -12.651 19.442 1.00 22.62 ? 861 HOH A O 1 HETATM 2812 O O . HOH P 9 . ? -9.409 -20.023 -3.316 1.00 39.74 ? 862 HOH A O 1 HETATM 2813 O O . HOH P 9 . ? -6.294 18.029 19.038 1.00 29.60 ? 864 HOH A O 1 HETATM 2814 O O . HOH P 9 . ? -13.546 -1.531 7.920 1.00 18.51 ? 866 HOH A O 1 HETATM 2815 O O . HOH P 9 . ? -0.433 -2.956 34.741 1.00 19.81 ? 867 HOH A O 1 HETATM 2816 O O . HOH P 9 . ? -10.148 17.253 24.182 1.00 18.84 ? 868 HOH A O 1 HETATM 2817 O O . HOH P 9 . ? -27.684 0.866 5.965 1.00 15.63 ? 869 HOH A O 1 HETATM 2818 O O . HOH P 9 . ? -12.533 11.935 8.104 1.00 33.89 ? 870 HOH A O 1 HETATM 2819 O O . HOH P 9 . ? -11.792 -8.491 -1.862 1.00 30.70 ? 871 HOH A O 1 HETATM 2820 O O . HOH P 9 . ? 0.120 -7.907 14.865 1.00 26.00 ? 872 HOH A O 1 HETATM 2821 O O . HOH P 9 . ? 1.773 14.756 12.382 1.00 25.88 ? 873 HOH A O 1 HETATM 2822 O O . HOH P 9 . ? -2.835 7.757 32.412 1.00 23.39 ? 874 HOH A O 1 HETATM 2823 O O . HOH P 9 . ? -32.073 -16.708 9.474 1.00 33.19 ? 875 HOH A O 1 HETATM 2824 O O . HOH P 9 . ? -37.162 2.545 10.457 1.00 34.10 ? 876 HOH A O 1 HETATM 2825 O O . HOH P 9 . ? 1.595 4.497 32.471 1.00 23.86 ? 877 HOH A O 1 HETATM 2826 O O . HOH P 9 . ? -27.410 4.177 20.788 1.00 29.24 ? 878 HOH A O 1 HETATM 2827 O O . HOH P 9 . ? -12.995 -4.509 23.124 1.00 14.01 ? 879 HOH A O 1 HETATM 2828 O O . HOH P 9 . ? 1.482 3.635 37.088 1.00 27.38 ? 880 HOH A O 1 HETATM 2829 O O . HOH P 9 . ? -17.581 -20.822 7.692 1.00 37.88 ? 881 HOH A O 1 HETATM 2830 O O . HOH P 9 . ? -22.808 -20.426 6.979 1.00 36.27 ? 882 HOH A O 1 HETATM 2831 O O . HOH P 9 . ? -6.470 -10.123 30.689 1.00 22.14 ? 883 HOH A O 1 HETATM 2832 O O . HOH P 9 . ? -28.077 -19.965 23.931 1.00 39.50 ? 884 HOH A O 1 HETATM 2833 O O . HOH P 9 . ? -11.049 -3.760 35.306 1.00 28.50 ? 885 HOH A O 1 HETATM 2834 O O . HOH P 9 . ? -9.531 -0.586 0.133 1.00 41.33 ? 887 HOH A O 1 HETATM 2835 O O . HOH P 9 . ? 8.010 10.714 19.689 1.00 28.95 ? 888 HOH A O 1 HETATM 2836 O O . HOH P 9 . ? -12.926 6.774 9.448 1.00 25.11 ? 889 HOH A O 1 HETATM 2837 O O . HOH P 9 . ? -6.978 -17.326 25.607 1.00 28.62 ? 890 HOH A O 1 HETATM 2838 O O . HOH P 9 . ? 1.132 18.952 20.083 1.00 48.39 ? 891 HOH A O 1 HETATM 2839 O O . HOH P 9 . ? -18.331 -3.163 27.436 1.00 27.13 ? 892 HOH A O 1 HETATM 2840 O O . HOH P 9 . ? -26.590 12.191 7.915 1.00 28.44 ? 893 HOH A O 1 HETATM 2841 O O . HOH P 9 . ? -26.721 10.536 11.938 1.00 23.83 ? 894 HOH A O 1 HETATM 2842 O O . HOH P 9 . ? -15.942 -21.377 12.056 1.00 46.41 ? 895 HOH A O 1 HETATM 2843 O O . HOH P 9 . ? -26.098 -19.799 2.857 1.00 46.33 ? 896 HOH A O 1 HETATM 2844 O O . HOH P 9 . ? -20.948 2.473 24.317 1.00 19.64 ? 897 HOH A O 1 HETATM 2845 O O . HOH P 9 . ? -24.380 0.528 24.724 1.00 24.66 ? 898 HOH A O 1 HETATM 2846 O O . HOH P 9 . ? -28.019 5.752 30.721 1.00 47.43 ? 899 HOH A O 1 HETATM 2847 O O . HOH P 9 . ? -38.706 -6.819 12.175 1.00 36.54 ? 900 HOH A O 1 HETATM 2848 O O . HOH P 9 . ? -37.380 -4.435 12.165 1.00 52.13 ? 901 HOH A O 1 HETATM 2849 O O . HOH P 9 . ? -14.242 -14.812 -1.124 1.00 32.21 ? 902 HOH A O 1 HETATM 2850 O O . HOH P 9 . ? -9.379 -10.444 7.116 1.00 40.69 ? 903 HOH A O 1 HETATM 2851 O O . HOH P 9 . ? -13.066 -9.886 -5.457 1.00 41.37 ? 904 HOH A O 1 HETATM 2852 O O . HOH P 9 . ? -12.280 -3.943 6.917 1.00 48.66 ? 905 HOH A O 1 HETATM 2853 O O . HOH P 9 . ? -15.551 -23.484 21.182 1.00 50.87 ? 906 HOH A O 1 HETATM 2854 O O . HOH P 9 . ? -8.038 -12.762 25.839 1.00 34.27 ? 907 HOH A O 1 HETATM 2855 O O . HOH P 9 . ? 14.890 13.266 15.848 1.00 48.75 ? 908 HOH A O 1 HETATM 2856 O O . HOH P 9 . ? -5.049 18.265 28.462 1.00 30.48 ? 909 HOH A O 1 HETATM 2857 O O . HOH P 9 . ? -20.115 -10.983 28.883 1.00 34.51 ? 910 HOH A O 1 HETATM 2858 O O . HOH P 9 . ? -23.767 7.132 -1.630 1.00 25.55 ? 911 HOH A O 1 HETATM 2859 O O . HOH P 9 . ? -14.461 -3.894 25.980 1.00 17.49 ? 912 HOH A O 1 HETATM 2860 O O . HOH P 9 . ? 1.535 -10.771 21.557 1.00 29.48 ? 913 HOH A O 1 HETATM 2861 O O . HOH P 9 . ? -8.225 21.733 20.257 1.00 39.12 ? 914 HOH A O 1 HETATM 2862 O O . HOH P 9 . ? -3.989 -20.311 22.483 1.00 28.52 ? 915 HOH A O 1 HETATM 2863 O O . HOH P 9 . ? -32.572 3.104 22.352 1.00 23.73 ? 917 HOH A O 1 HETATM 2864 O O . HOH P 9 . ? -7.359 -10.116 13.149 1.00 44.39 ? 918 HOH A O 1 HETATM 2865 O O . HOH P 9 . ? -21.007 -13.413 -1.581 1.00 32.46 ? 919 HOH A O 1 HETATM 2866 O O . HOH P 9 . ? 0.662 -4.928 30.157 1.00 26.49 ? 921 HOH A O 1 HETATM 2867 O O . HOH P 9 . ? -25.869 -16.070 0.293 1.00 38.36 ? 922 HOH A O 1 HETATM 2868 O O . HOH P 9 . ? -12.160 -3.430 14.333 1.00 19.96 ? 923 HOH A O 1 HETATM 2869 O O . HOH P 9 . ? -32.645 -17.225 12.013 1.00 37.80 ? 924 HOH A O 1 HETATM 2870 O O . HOH P 9 . ? 9.624 -2.053 26.389 1.00 50.50 ? 925 HOH A O 1 HETATM 2871 O O . HOH P 9 . ? -20.084 12.841 31.989 1.00 31.38 ? 926 HOH A O 1 HETATM 2872 O O . HOH P 9 . ? -26.175 -1.560 25.420 1.00 22.79 ? 927 HOH A O 1 HETATM 2873 O O . HOH P 9 . ? -14.535 23.399 16.962 1.00 50.24 ? 929 HOH A O 1 HETATM 2874 O O . HOH P 9 . ? -33.724 1.671 -4.036 1.00 51.79 ? 930 HOH A O 1 HETATM 2875 O O . HOH P 9 . ? -39.331 1.375 7.339 1.00 56.63 ? 931 HOH A O 1 HETATM 2876 O O . HOH P 9 . ? -36.134 4.741 14.878 1.00 39.84 ? 932 HOH A O 1 HETATM 2877 O O . HOH P 9 . ? -12.684 11.856 5.607 1.00 30.06 ? 933 HOH A O 1 HETATM 2878 O O . HOH P 9 . ? 15.642 7.574 9.214 1.00 58.14 ? 934 HOH A O 1 HETATM 2879 O O . HOH P 9 . ? 10.094 -3.746 15.010 1.00 49.02 ? 935 HOH A O 1 HETATM 2880 O O . HOH P 9 . ? -13.795 4.691 7.881 1.00 20.52 ? 936 HOH A O 1 HETATM 2881 O O . HOH P 9 . ? 6.386 12.715 7.495 1.00 34.16 ? 937 HOH A O 1 HETATM 2882 O O . HOH P 9 . ? -38.142 6.905 20.223 1.00 54.94 ? 939 HOH A O 1 HETATM 2883 O O . HOH P 9 . ? -26.478 1.133 31.673 1.00 61.41 ? 940 HOH A O 1 HETATM 2884 O O . HOH P 9 . ? -37.629 -2.915 0.141 1.00 31.15 ? 941 HOH A O 1 HETATM 2885 O O . HOH P 9 . ? -38.380 -14.531 10.400 1.00 48.23 ? 942 HOH A O 1 HETATM 2886 O O . HOH P 9 . ? -35.255 -4.267 -3.730 1.00 44.36 ? 944 HOH A O 1 HETATM 2887 O O . HOH P 9 . ? -6.928 -13.349 14.832 1.00 37.01 ? 945 HOH A O 1 HETATM 2888 O O . HOH P 9 . ? -2.232 23.087 18.840 1.00 45.39 ? 946 HOH A O 1 HETATM 2889 O O . HOH P 9 . ? -9.090 -10.769 -5.041 1.00 65.41 ? 947 HOH A O 1 HETATM 2890 O O . HOH P 9 . ? -27.464 -18.512 6.618 1.00 43.89 ? 948 HOH A O 1 HETATM 2891 O O . HOH P 9 . ? 13.418 3.959 13.490 1.00 51.74 ? 950 HOH A O 1 HETATM 2892 O O . HOH P 9 . ? -2.611 -9.732 24.947 1.00 45.52 ? 951 HOH A O 1 HETATM 2893 O O . HOH P 9 . ? -39.681 -8.018 2.116 1.00 40.66 ? 952 HOH A O 1 HETATM 2894 O O . HOH P 9 . ? -19.554 -12.188 -3.693 1.00 36.42 ? 953 HOH A O 1 HETATM 2895 O O . HOH P 9 . ? -7.415 12.942 1.476 1.00 51.83 ? 954 HOH A O 1 HETATM 2896 O O . HOH P 9 . ? -7.740 -15.035 6.466 1.00 49.56 ? 955 HOH A O 1 HETATM 2897 O O . HOH P 9 . ? -32.126 -9.657 -6.144 1.00 32.69 ? 957 HOH A O 1 HETATM 2898 O O . HOH P 9 . ? 5.614 16.203 14.023 1.00 53.70 ? 958 HOH A O 1 HETATM 2899 O O . HOH P 9 . ? -42.935 -4.178 19.532 1.00 45.35 ? 960 HOH A O 1 HETATM 2900 O O . HOH P 9 . ? -12.788 17.415 28.163 1.00 18.23 ? 961 HOH A O 1 HETATM 2901 O O . HOH P 9 . ? -21.201 -17.993 30.743 1.00 26.81 ? 962 HOH A O 1 HETATM 2902 O O . HOH P 9 . ? -16.842 -5.109 26.232 1.00 19.35 ? 963 HOH A O 1 HETATM 2903 O O . HOH P 9 . ? -5.933 -5.797 32.295 1.00 16.85 ? 964 HOH A O 1 HETATM 2904 O O . HOH P 9 . ? -0.989 -4.776 32.535 1.00 18.19 ? 965 HOH A O 1 HETATM 2905 O O . HOH P 9 . ? -38.352 -5.971 -0.546 1.00 42.56 ? 967 HOH A O 1 HETATM 2906 O O . HOH P 9 . ? -14.160 -20.645 22.840 1.00 37.43 ? 968 HOH A O 1 HETATM 2907 O O . HOH P 9 . ? 8.144 15.691 14.834 1.00 36.85 ? 969 HOH A O 1 HETATM 2908 O O . HOH P 9 . ? -29.366 -15.525 -6.067 1.00 40.04 ? 970 HOH A O 1 HETATM 2909 O O . HOH P 9 . ? 6.217 -7.601 17.706 1.00 29.02 ? 971 HOH A O 1 HETATM 2910 O O . HOH P 9 . ? 9.100 11.289 22.112 1.00 33.26 ? 972 HOH A O 1 HETATM 2911 O O . HOH P 9 . ? -22.388 9.143 -2.482 1.00 38.01 ? 973 HOH A O 1 HETATM 2912 O O . HOH P 9 . ? 0.191 -5.924 12.485 1.00 27.43 ? 974 HOH A O 1 HETATM 2913 O O . HOH P 9 . ? 3.986 -1.648 30.544 1.00 58.22 ? 975 HOH A O 1 HETATM 2914 O O . HOH P 9 . ? -26.812 8.066 -2.431 1.00 41.61 ? 977 HOH A O 1 HETATM 2915 O O . HOH P 9 . ? -10.209 -9.115 4.536 1.00 27.02 ? 978 HOH A O 1 HETATM 2916 O O . HOH P 9 . ? -31.019 -18.852 13.849 1.00 33.53 ? 979 HOH A O 1 HETATM 2917 O O . HOH P 9 . ? 2.904 1.766 35.857 1.00 30.91 ? 980 HOH A O 1 HETATM 2918 O O . HOH P 9 . ? 4.995 16.770 17.652 1.00 34.27 ? 981 HOH A O 1 HETATM 2919 O O . HOH P 9 . ? -39.374 -12.427 7.916 1.00 44.85 ? 982 HOH A O 1 HETATM 2920 O O . HOH P 9 . ? -41.992 0.719 14.716 1.00 45.08 ? 984 HOH A O 1 HETATM 2921 O O . HOH P 9 . ? -26.534 -20.830 12.867 1.00 32.85 ? 986 HOH A O 1 HETATM 2922 O O . HOH P 9 . ? -38.713 -3.186 27.843 1.00 38.54 ? 987 HOH A O 1 HETATM 2923 O O . HOH P 9 . ? 2.567 14.244 9.805 1.00 26.76 ? 988 HOH A O 1 HETATM 2924 O O . HOH P 9 . ? -36.058 -5.155 21.497 1.00 39.02 ? 989 HOH A O 1 HETATM 2925 O O . HOH P 9 . ? -36.609 -16.479 10.743 1.00 36.96 ? 990 HOH A O 1 HETATM 2926 O O . HOH P 9 . ? -15.551 11.510 35.284 1.00 47.41 ? 991 HOH A O 1 HETATM 2927 O O . HOH P 9 . ? -11.934 -9.980 13.721 1.00 53.83 ? 992 HOH A O 1 HETATM 2928 O O . HOH P 9 . ? -39.920 -3.148 4.315 1.00 54.13 ? 995 HOH A O 1 HETATM 2929 O O . HOH P 9 . ? -16.771 12.824 33.272 1.00 31.95 ? 998 HOH A O 1 HETATM 2930 O O . HOH P 9 . ? -31.005 -0.942 35.004 1.00 83.89 ? 999 HOH A O 1 HETATM 2931 O O . HOH P 9 . ? -7.149 13.560 34.906 1.00 28.57 ? 1000 HOH A O 1 HETATM 2932 O O . HOH P 9 . ? -24.373 -22.040 17.643 1.00 41.06 ? 1001 HOH A O 1 HETATM 2933 O O . HOH P 9 . ? -8.121 6.854 3.997 1.00 38.00 ? 1002 HOH A O 1 HETATM 2934 O O . HOH P 9 . ? -7.087 19.643 21.053 1.00 28.47 ? 1003 HOH A O 1 HETATM 2935 O O . HOH P 9 . ? -18.909 -21.758 9.883 1.00 54.15 ? 1004 HOH A O 1 HETATM 2936 O O . HOH P 9 . ? 0.939 17.719 31.811 1.00 44.20 ? 1005 HOH A O 1 HETATM 2937 O O . HOH P 9 . ? 2.254 -4.728 12.018 1.00 41.44 ? 1006 HOH A O 1 HETATM 2938 O O . HOH P 9 . ? -38.981 -11.083 10.940 1.00 36.70 ? 1007 HOH A O 1 HETATM 2939 O O . HOH P 9 . ? -12.549 -3.402 32.819 1.00 27.34 ? 1009 HOH A O 1 HETATM 2940 O O . HOH P 9 . ? -19.867 5.131 -2.677 1.00 42.49 ? 1010 HOH A O 1 HETATM 2941 O O . HOH P 9 . ? 14.815 -2.162 23.957 1.00 66.65 ? 1011 HOH A O 1 HETATM 2942 O O . HOH P 9 . ? -4.186 5.486 -1.097 1.00 51.30 ? 1014 HOH A O 1 HETATM 2943 O O . HOH P 9 . ? -23.640 -14.515 -1.641 1.00 62.47 ? 1015 HOH A O 1 HETATM 2944 O O . HOH P 9 . ? -10.994 -18.475 14.128 1.00 43.06 ? 1016 HOH A O 1 HETATM 2945 O O . HOH P 9 . ? -16.145 -4.627 30.637 1.00 25.37 ? 1017 HOH A O 1 HETATM 2946 O O . HOH P 9 . ? -22.579 16.947 23.099 1.00 48.82 ? 1018 HOH A O 1 HETATM 2947 O O . HOH P 9 . ? -13.579 13.323 14.468 1.00 43.85 ? 1019 HOH A O 1 HETATM 2948 O O . HOH P 9 . ? -3.075 -9.786 30.288 1.00 44.35 ? 1020 HOH A O 1 HETATM 2949 O O . HOH P 9 . ? -13.284 10.227 25.979 1.00 38.19 ? 1021 HOH A O 1 HETATM 2950 O O . HOH P 9 . ? -41.956 -3.725 25.417 1.00 56.61 ? 1022 HOH A O 1 HETATM 2951 O O . HOH P 9 . ? 6.720 -2.343 25.417 1.00 31.21 ? 1023 HOH A O 1 HETATM 2952 O O . HOH P 9 . ? -5.191 -18.061 5.692 1.00 41.59 ? 1024 HOH A O 1 HETATM 2953 O O . HOH P 9 . ? -2.120 23.223 25.383 1.00 61.90 ? 1025 HOH A O 1 HETATM 2954 O O . HOH P 9 . ? -18.187 4.385 32.180 1.00 29.09 ? 1026 HOH A O 1 HETATM 2955 O O . HOH P 9 . ? -28.530 10.152 13.870 1.00 40.32 ? 1027 HOH A O 1 HETATM 2956 O O . HOH P 9 . ? -28.481 -1.341 26.877 1.00 27.16 ? 1029 HOH A O 1 HETATM 2957 O O . HOH P 9 . ? -8.499 -15.463 8.954 1.00 46.28 ? 1030 HOH A O 1 HETATM 2958 O O . HOH P 9 . ? -28.150 -3.092 -8.206 1.00 66.87 ? 1031 HOH A O 1 HETATM 2959 O O . HOH P 9 . ? -0.244 4.185 5.897 1.00 38.53 ? 1032 HOH A O 1 HETATM 2960 O O . HOH P 9 . ? -36.829 -8.697 21.232 1.00 44.26 ? 1034 HOH A O 1 HETATM 2961 O O . HOH P 9 . ? -26.089 -12.086 -5.284 1.00 38.08 ? 1035 HOH A O 1 HETATM 2962 O O . HOH P 9 . ? -18.345 -0.897 30.582 1.00 34.42 ? 1036 HOH A O 1 HETATM 2963 O O . HOH P 9 . ? -18.188 -12.822 -6.111 1.00 58.37 ? 1037 HOH A O 1 HETATM 2964 O O . HOH P 9 . ? -11.556 -18.962 4.476 1.00 53.74 ? 1038 HOH A O 1 HETATM 2965 O O . HOH P 9 . ? 15.839 9.684 17.188 1.00 51.45 ? 1039 HOH A O 1 HETATM 2966 O O . HOH P 9 . ? -25.571 -8.854 -8.629 1.00 51.43 ? 1040 HOH A O 1 HETATM 2967 O O . HOH P 9 . ? 3.091 2.317 32.909 1.00 21.97 ? 1041 HOH A O 1 HETATM 2968 O O . HOH P 9 . ? -6.318 -14.841 24.771 1.00 52.28 ? 1042 HOH A O 1 HETATM 2969 O O . HOH P 9 . ? -8.758 12.812 32.788 1.00 34.30 ? 1043 HOH A O 1 HETATM 2970 O O . HOH P 9 . ? -19.447 19.589 26.706 1.00 20.76 ? 1044 HOH A O 1 HETATM 2971 O O . HOH P 9 . ? -22.891 -1.487 -5.762 1.00 62.01 ? 1045 HOH A O 1 HETATM 2972 O O . HOH P 9 . ? -8.366 18.908 23.697 1.00 32.38 ? 1046 HOH A O 1 HETATM 2973 O O . HOH P 9 . ? -23.584 -18.943 22.666 1.00 16.64 ? 1047 HOH A O 1 HETATM 2974 O O . HOH P 9 . ? -20.397 -19.459 13.670 1.00 24.81 ? 1048 HOH A O 1 HETATM 2975 O O . HOH P 9 . ? 12.037 10.849 30.256 1.00 35.47 ? 1049 HOH A O 1 HETATM 2976 O O . HOH P 9 . ? -14.361 -22.455 16.775 1.00 55.43 ? 1051 HOH A O 1 HETATM 2977 O O . HOH P 9 . ? -35.238 4.515 -0.445 1.00 89.82 ? 1052 HOH A O 1 HETATM 2978 O O . HOH P 9 . ? 1.678 -10.897 12.032 1.00 47.63 ? 1053 HOH A O 1 HETATM 2979 O O . HOH P 9 . ? 11.684 16.636 8.787 1.00 52.70 ? 1054 HOH A O 1 HETATM 2980 O O . HOH P 9 . ? -34.525 5.615 4.753 1.00 35.76 ? 1055 HOH A O 1 HETATM 2981 O O . HOH P 9 . ? -2.627 -8.679 32.686 1.00 22.06 ? 1056 HOH A O 1 HETATM 2982 O O . HOH P 9 . ? -22.173 -11.136 30.271 1.00 35.77 ? 1057 HOH A O 1 HETATM 2983 O O . HOH P 9 . ? -3.827 -1.634 40.462 1.00 19.23 ? 1058 HOH A O 1 HETATM 2984 O O . HOH P 9 . ? 2.734 13.873 3.854 1.00 55.28 ? 1059 HOH A O 1 HETATM 2985 O O . HOH P 9 . ? 8.411 -3.766 11.822 1.00 43.99 ? 1060 HOH A O 1 HETATM 2986 O O . HOH P 9 . ? 13.362 12.122 13.287 1.00 50.57 ? 1061 HOH A O 1 HETATM 2987 O O . HOH P 9 . ? -18.822 -20.757 24.618 1.00 34.57 ? 1062 HOH A O 1 HETATM 2988 O O . HOH P 9 . ? 0.735 19.080 22.620 1.00 39.21 ? 1063 HOH A O 1 HETATM 2989 O O . HOH P 9 . ? -0.814 -7.882 10.348 1.00 52.31 ? 1064 HOH A O 1 HETATM 2990 O O . HOH P 9 . ? -30.429 22.007 17.173 1.00 51.69 ? 1065 HOH A O 1 HETATM 2991 O O . HOH P 9 . ? -30.569 8.187 -3.543 1.00 48.49 ? 1066 HOH A O 1 HETATM 2992 O O . HOH P 9 . ? -39.708 0.195 12.591 1.00 59.24 ? 1067 HOH A O 1 HETATM 2993 O O . HOH P 9 . ? -33.126 -13.996 6.200 1.00 45.80 ? 1068 HOH A O 1 HETATM 2994 O O . HOH P 9 . ? -30.514 -5.248 -8.439 1.00 49.27 ? 1070 HOH A O 1 HETATM 2995 O O . HOH P 9 . ? -21.742 19.528 24.812 1.00 26.76 ? 1071 HOH A O 1 HETATM 2996 O O . HOH P 9 . ? -30.841 9.918 17.057 1.00 45.24 ? 1072 HOH A O 1 HETATM 2997 O O . HOH P 9 . ? -12.685 0.449 -5.545 1.00 39.64 ? 1073 HOH A O 1 HETATM 2998 O O . HOH P 9 . ? 9.963 12.839 19.538 1.00 63.07 ? 1074 HOH A O 1 HETATM 2999 O O . HOH P 9 . ? -16.454 19.015 14.693 1.00 50.16 ? 1077 HOH A O 1 HETATM 3000 O O . HOH P 9 . ? -10.796 -10.383 9.932 1.00 47.33 ? 1078 HOH A O 1 HETATM 3001 O O . HOH P 9 . ? 13.528 9.225 9.364 1.00 57.53 ? 1079 HOH A O 1 HETATM 3002 O O . HOH P 9 . ? -7.492 -12.400 9.779 1.00 52.16 ? 1080 HOH A O 1 HETATM 3003 O O . HOH P 9 . ? -39.463 1.343 10.263 1.00 65.67 ? 1081 HOH A O 1 HETATM 3004 O O . HOH P 9 . ? 13.399 -2.146 21.549 1.00 56.17 ? 1083 HOH A O 1 HETATM 3005 O O . HOH P 9 . ? 7.150 -10.911 21.414 1.00 56.36 ? 1084 HOH A O 1 HETATM 3006 O O . HOH P 9 . ? 8.402 -0.251 29.400 1.00 58.27 ? 1085 HOH A O 1 HETATM 3007 O O . HOH P 9 . ? -3.256 8.619 -1.217 1.00 77.85 ? 1086 HOH A O 1 HETATM 3008 O O . HOH P 9 . ? -31.673 -20.321 16.385 1.00 69.17 ? 1087 HOH A O 1 HETATM 3009 O O . HOH P 9 . ? 4.388 18.195 15.408 1.00 51.10 ? 1088 HOH A O 1 HETATM 3010 O O . HOH P 9 . ? -17.808 -0.773 -7.362 1.00 33.70 ? 1089 HOH A O 1 HETATM 3011 O O . HOH P 9 . ? -4.660 17.287 23.482 1.00 42.14 ? 1090 HOH A O 1 HETATM 3012 O O . HOH P 9 . ? -1.619 20.014 23.154 1.00 54.33 ? 1091 HOH A O 1 HETATM 3013 O O . HOH P 9 . ? -9.384 -20.291 12.584 1.00 51.36 ? 1092 HOH A O 1 HETATM 3014 O O . HOH P 9 . ? -5.734 -20.766 20.642 1.00 40.39 ? 1093 HOH A O 1 HETATM 3015 O O . HOH P 9 . ? -3.479 -18.187 16.013 1.00 61.43 ? 1094 HOH A O 1 HETATM 3016 O O . HOH P 9 . ? -25.624 -16.215 -2.274 1.00 55.27 ? 1095 HOH A O 1 HETATM 3017 O O . HOH P 9 . ? -0.846 19.626 30.666 1.00 48.12 ? 1097 HOH A O 1 HETATM 3018 O O . HOH P 9 . ? -12.044 -1.942 -6.408 1.00 52.19 ? 1098 HOH A O 1 HETATM 3019 O O . HOH P 9 . ? -39.093 6.894 2.356 1.00 43.88 ? 1099 HOH A O 1 HETATM 3020 O O . HOH P 9 . ? -6.399 -8.383 -5.482 1.00 49.00 ? 1100 HOH A O 1 HETATM 3021 O O . HOH P 9 . ? -38.561 -10.271 27.306 1.00 65.28 ? 1101 HOH A O 1 HETATM 3022 O O . HOH P 9 . ? -36.933 6.539 6.905 1.00 42.41 ? 1102 HOH A O 1 HETATM 3023 O O . HOH P 9 . ? -21.479 -17.447 0.723 1.00 56.25 ? 1104 HOH A O 1 HETATM 3024 O O . HOH P 9 . ? 8.779 -4.316 22.113 1.00 55.24 ? 1105 HOH A O 1 HETATM 3025 O O . HOH P 9 . ? -14.487 -19.631 8.024 1.00 41.54 ? 1106 HOH A O 1 HETATM 3026 O O . HOH P 9 . ? -38.341 11.927 21.960 1.00 74.67 ? 1107 HOH A O 1 HETATM 3027 O O . HOH P 9 . ? -9.751 6.502 -0.196 1.00 56.90 ? 1108 HOH A O 1 HETATM 3028 O O . HOH P 9 . ? -20.459 2.844 28.342 1.00 40.57 ? 1109 HOH A O 1 HETATM 3029 O O . HOH P 9 . ? -24.259 -3.265 -4.310 1.00 30.45 ? 1110 HOH A O 1 HETATM 3030 O O . HOH P 9 . ? -11.135 -0.605 16.962 1.00 21.02 ? 1112 HOH A O 1 HETATM 3031 O O . HOH P 9 . ? 12.841 10.990 15.541 1.00 36.91 ? 1113 HOH A O 1 HETATM 3032 O O . HOH P 9 . ? -31.095 5.137 21.681 1.00 27.67 ? 1114 HOH A O 1 HETATM 3033 O O . HOH P 9 . ? -23.750 13.049 17.052 1.00 33.60 ? 1115 HOH A O 1 HETATM 3034 O O . HOH P 9 . ? -21.393 4.160 -0.774 1.00 32.51 ? 1116 HOH A O 1 HETATM 3035 O O . HOH P 9 . ? -14.239 -6.152 29.622 1.00 22.08 ? 1117 HOH A O 1 HETATM 3036 O O . HOH P 9 . ? -20.135 11.447 -0.325 1.00 47.39 ? 1118 HOH A O 1 HETATM 3037 O O . HOH P 9 . ? -27.083 -16.114 29.251 1.00 32.57 ? 1120 HOH A O 1 HETATM 3038 O O . HOH P 9 . ? -41.448 -10.809 7.978 1.00 37.33 ? 1121 HOH A O 1 HETATM 3039 O O . HOH P 9 . ? -31.029 -4.937 28.520 1.00 46.44 ? 1122 HOH A O 1 HETATM 3040 O O . HOH P 9 . ? -29.384 7.107 14.038 1.00 51.54 ? 1123 HOH A O 1 HETATM 3041 O O . HOH P 9 . ? -14.238 1.691 -7.809 1.00 59.00 ? 1124 HOH A O 1 HETATM 3042 O O . HOH P 9 . ? -28.189 -15.860 5.311 1.00 40.37 ? 1125 HOH A O 1 HETATM 3043 O O . HOH P 9 . ? -37.485 -14.158 20.464 1.00 63.36 ? 1126 HOH A O 1 HETATM 3044 O O . HOH P 9 . ? -34.027 -1.955 32.216 1.00 65.20 ? 1127 HOH A O 1 HETATM 3045 O O . HOH P 9 . ? -16.985 -15.831 -2.447 1.00 52.66 ? 1128 HOH A O 1 HETATM 3046 O O . HOH P 9 . ? 1.991 -1.497 34.975 1.00 38.51 ? 1129 HOH A O 1 HETATM 3047 O O . HOH P 9 . ? -11.466 17.336 14.048 1.00 39.86 ? 1131 HOH A O 1 HETATM 3048 O O . HOH P 9 . ? -35.335 -12.644 4.824 1.00 50.76 ? 1133 HOH A O 1 HETATM 3049 O O . HOH P 9 . ? -25.867 15.778 34.411 1.00 56.36 ? 1134 HOH A O 1 HETATM 3050 O O . HOH P 9 . ? 2.265 -11.588 6.925 1.00 68.48 ? 1136 HOH A O 1 HETATM 3051 O O . HOH P 9 . ? -28.534 -13.057 -6.398 1.00 31.36 ? 1137 HOH A O 1 HETATM 3052 O O . HOH P 9 . ? -10.622 1.548 -6.336 1.00 44.63 ? 1138 HOH A O 1 HETATM 3053 O O . HOH P 9 . ? -3.625 19.400 25.644 1.00 47.15 ? 1139 HOH A O 1 HETATM 3054 O O . HOH P 9 . ? -33.920 6.284 0.969 1.00 50.36 ? 1140 HOH A O 1 HETATM 3055 O O . HOH P 9 . ? -9.075 -4.083 -6.758 1.00 52.28 ? 1142 HOH A O 1 HETATM 3056 O O . HOH P 9 . ? -26.219 4.928 33.932 1.00 53.18 ? 1143 HOH A O 1 HETATM 3057 O O . HOH P 9 . ? 2.074 -0.874 32.265 1.00 37.58 ? 1144 HOH A O 1 HETATM 3058 O O . HOH P 9 . ? -22.634 4.766 31.774 1.00 40.24 ? 1145 HOH A O 1 HETATM 3059 O O . HOH P 9 . ? 14.395 4.624 15.958 1.00 44.41 ? 1146 HOH A O 1 HETATM 3060 O O . HOH P 9 . ? -25.146 -15.740 -4.853 1.00 47.16 ? 1147 HOH A O 1 HETATM 3061 O O . HOH P 9 . ? -13.097 -21.461 6.628 1.00 61.37 ? 1148 HOH A O 1 HETATM 3062 O O . HOH P 9 . ? -41.287 -12.800 19.247 1.00 69.07 ? 1149 HOH A O 1 HETATM 3063 O O . HOH P 9 . ? -30.188 15.541 22.026 1.00 42.60 ? 1150 HOH A O 1 HETATM 3064 O O . HOH P 9 . ? -22.888 18.492 29.694 1.00 55.13 ? 1152 HOH A O 1 HETATM 3065 O O . HOH P 9 . ? 1.505 16.498 8.169 1.00 43.76 ? 1153 HOH A O 1 HETATM 3066 O O . HOH P 9 . ? -30.857 -11.882 -5.670 1.00 49.35 ? 1154 HOH A O 1 HETATM 3067 O O . HOH P 9 . ? 13.738 9.338 28.729 1.00 48.88 ? 1155 HOH A O 1 HETATM 3068 O O . HOH P 9 . ? -25.458 -19.495 10.899 1.00 25.13 ? 1156 HOH A O 1 HETATM 3069 O O . HOH P 9 . ? -17.371 -22.990 22.915 1.00 31.46 ? 1157 HOH A O 1 HETATM 3070 O O . HOH P 9 . ? -11.213 -16.384 27.071 1.00 29.74 ? 1158 HOH A O 1 HETATM 3071 O O . HOH P 9 . ? -10.335 18.053 26.996 1.00 20.95 ? 1161 HOH A O 1 HETATM 3072 O O . HOH P 9 . ? -9.357 -13.779 11.968 1.00 41.69 ? 1162 HOH A O 1 HETATM 3073 O O . HOH P 9 . ? -3.271 -12.020 1.510 1.00 51.45 ? 1164 HOH A O 1 HETATM 3074 O O . HOH P 9 . ? -28.845 -13.185 24.307 1.00 24.72 ? 1165 HOH A O 1 HETATM 3075 O O . HOH P 9 . ? 5.445 -0.056 29.064 1.00 35.67 ? 1166 HOH A O 1 HETATM 3076 O O . HOH P 9 . ? -25.082 6.207 30.537 1.00 43.34 ? 1167 HOH A O 1 HETATM 3077 O O . HOH P 9 . ? 14.346 0.580 20.159 1.00 50.23 ? 1168 HOH A O 1 HETATM 3078 O O . HOH P 9 . ? -32.813 -11.176 29.065 1.00 43.02 ? 1170 HOH A O 1 HETATM 3079 O O . HOH P 9 . ? -27.822 -11.818 26.719 1.00 36.74 ? 1172 HOH A O 1 HETATM 3080 O O . HOH P 9 . ? -8.337 -15.507 15.466 1.00 36.70 ? 1173 HOH A O 1 HETATM 3081 O O . HOH P 9 . ? -3.353 -3.219 6.461 1.00 47.70 ? 1175 HOH A O 1 HETATM 3082 O O . HOH P 9 . ? 2.585 -7.841 13.804 1.00 48.27 ? 1176 HOH A O 1 HETATM 3083 O O . HOH P 9 . ? -19.712 -20.160 3.911 1.00 36.78 ? 1177 HOH A O 1 HETATM 3084 O O . HOH P 9 . ? -22.729 -21.296 15.576 1.00 53.35 ? 1179 HOH A O 1 HETATM 3085 O O . HOH P 9 . ? -35.390 6.070 16.974 1.00 49.08 ? 1181 HOH A O 1 HETATM 3086 O O . HOH P 9 . ? -10.078 10.238 34.577 1.00 35.87 ? 1183 HOH A O 1 HETATM 3087 O O . HOH P 9 . ? -9.209 -16.394 12.489 1.00 44.86 ? 1184 HOH A O 1 HETATM 3088 O O . HOH P 9 . ? -8.650 -3.186 1.986 1.00 37.04 ? 1186 HOH A O 1 HETATM 3089 O O . HOH P 9 . ? -20.253 -20.839 16.319 1.00 46.39 ? 1188 HOH A O 1 HETATM 3090 O O . HOH P 9 . ? -7.685 -26.025 15.628 1.00 65.28 ? 1189 HOH A O 1 HETATM 3091 O O . HOH P 9 . ? -15.210 12.683 0.867 1.00 46.80 ? 1190 HOH A O 1 HETATM 3092 O O . HOH P 9 . ? -37.544 5.392 10.724 1.00 58.15 ? 1194 HOH A O 1 HETATM 3093 O O . HOH P 9 . ? -21.706 0.451 1.605 1.00 37.22 ? 1195 HOH A O 1 HETATM 3094 O O . HOH P 9 . ? -23.526 -2.379 27.060 1.00 35.07 ? 1196 HOH A O 1 HETATM 3095 O O . HOH P 9 . ? -40.086 -7.824 26.837 1.00 51.05 ? 1197 HOH A O 1 HETATM 3096 O O . HOH P 9 . ? -24.216 18.324 27.317 1.00 73.37 ? 1198 HOH A O 1 HETATM 3097 O O . HOH P 9 . ? -20.405 4.116 30.677 1.00 41.97 ? 1199 HOH A O 1 HETATM 3098 O O . HOH P 9 . ? -0.516 -11.114 25.011 1.00 46.04 ? 1202 HOH A O 1 HETATM 3099 O O . HOH P 9 . ? -6.436 12.999 -7.482 1.00 53.30 ? 1203 HOH A O 1 HETATM 3100 O O . HOH P 9 . ? -5.435 -5.487 -3.049 1.00 55.32 ? 1204 HOH A O 1 HETATM 3101 O O . HOH P 9 . ? -40.255 -10.140 4.853 1.00 59.53 ? 1206 HOH A O 1 HETATM 3102 O O . HOH P 9 . ? 4.689 -1.976 9.190 1.00 35.61 ? 1207 HOH A O 1 HETATM 3103 O O . HOH P 9 . ? -34.270 4.152 24.299 1.00 48.99 ? 1208 HOH A O 1 HETATM 3104 O O . HOH P 9 . ? -15.993 12.709 13.717 1.00 37.09 ? 1209 HOH A O 1 HETATM 3105 O O . HOH P 9 . ? -17.821 6.693 3.754 1.00 63.74 ? 1210 HOH A O 1 HETATM 3106 O O . HOH P 9 . ? -29.108 -14.310 28.069 1.00 34.69 ? 1212 HOH A O 1 HETATM 3107 O O . HOH P 9 . ? -8.921 -2.606 6.912 1.00 31.73 ? 1213 HOH A O 1 HETATM 3108 O O . HOH P 9 . ? -15.075 -24.480 18.828 1.00 36.17 ? 1214 HOH A O 1 HETATM 3109 O O . HOH P 9 . ? -11.224 3.548 2.617 1.00 42.50 ? 1215 HOH A O 1 HETATM 3110 O O . HOH P 9 . ? -18.271 -19.909 11.764 1.00 29.61 ? 1216 HOH A O 1 HETATM 3111 O O . HOH P 9 . ? -15.453 18.195 7.297 1.00 80.17 ? 1217 HOH A O 1 HETATM 3112 O O . HOH P 9 . ? -4.795 -10.030 26.200 1.00 30.95 ? 1218 HOH A O 1 HETATM 3113 O O . HOH P 9 . ? 11.719 8.606 31.155 1.00 45.17 ? 1219 HOH A O 1 HETATM 3114 O O . HOH P 9 . ? -39.434 3.670 8.866 1.00 38.98 ? 1220 HOH A O 1 HETATM 3115 O O . HOH P 9 . ? 2.443 -2.483 10.591 1.00 40.68 ? 1223 HOH A O 1 HETATM 3116 O O . HOH P 9 . ? -40.113 -13.411 13.002 1.00 51.71 ? 1224 HOH A O 1 HETATM 3117 O O . HOH P 9 . ? -11.553 14.430 6.212 1.00 45.34 ? 1226 HOH A O 1 HETATM 3118 O O . HOH P 9 . ? 2.050 3.905 3.653 1.00 41.73 ? 1227 HOH A O 1 HETATM 3119 O O . HOH P 9 . ? 8.284 20.386 22.586 1.00 48.70 ? 1228 HOH A O 1 HETATM 3120 O O . HOH P 9 . ? -37.523 -11.455 5.629 1.00 45.68 ? 1230 HOH A O 1 HETATM 3121 O O . HOH P 9 . ? -6.893 16.622 24.668 1.00 35.28 ? 1232 HOH A O 1 HETATM 3122 O O . HOH P 9 . ? -9.223 12.022 -5.972 1.00 50.73 ? 1233 HOH A O 1 HETATM 3123 O O . HOH P 9 . ? -19.902 11.749 2.231 1.00 51.50 ? 1234 HOH A O 1 HETATM 3124 O O . HOH P 9 . ? -36.216 -15.917 17.772 1.00 42.02 ? 1235 HOH A O 1 HETATM 3125 O O . HOH P 9 . ? -6.396 -17.522 15.547 1.00 38.57 ? 1236 HOH A O 1 HETATM 3126 O O . HOH P 9 . ? 10.498 -3.928 9.368 1.00 72.68 ? 1237 HOH A O 1 HETATM 3127 O O . HOH P 9 . ? -27.829 9.881 9.612 1.00 28.45 ? 1240 HOH A O 1 HETATM 3128 O O . HOH P 9 . ? -35.430 -5.365 -7.375 1.00 61.38 ? 1241 HOH A O 1 HETATM 3129 O O . HOH P 9 . ? -18.424 16.137 28.090 1.00 24.65 ? 1242 HOH A O 1 HETATM 3130 O O . HOH P 9 . ? -1.045 -3.840 5.212 1.00 46.07 ? 1244 HOH A O 1 HETATM 3131 O O . HOH P 9 . ? -39.639 9.252 20.387 1.00 60.57 ? 1248 HOH A O 1 HETATM 3132 O O . HOH P 9 . ? -9.574 20.792 11.531 1.00 39.63 ? 1249 HOH A O 1 HETATM 3133 O O . HOH P 9 . ? -41.835 -6.737 7.065 1.00 39.58 ? 1250 HOH A O 1 HETATM 3134 O O . HOH P 9 . ? -24.158 15.878 26.220 1.00 46.69 ? 1251 HOH A O 1 HETATM 3135 O O . HOH P 9 . ? -6.744 -16.796 11.559 1.00 56.48 ? 1252 HOH A O 1 HETATM 3136 O O . HOH P 9 . ? -30.125 -18.960 25.149 1.00 58.43 ? 1253 HOH A O 1 HETATM 3137 O O . HOH P 9 . ? -35.567 5.804 12.425 1.00 63.62 ? 1254 HOH A O 1 HETATM 3138 O O . HOH P 9 . ? -1.280 12.336 4.969 1.00 53.52 ? 1255 HOH A O 1 HETATM 3139 O O . HOH P 9 . ? -34.690 2.937 26.680 1.00 53.95 ? 1256 HOH A O 1 HETATM 3140 O O . HOH P 9 . ? 11.694 13.488 31.341 1.00 81.69 ? 1257 HOH A O 1 HETATM 3141 O O . HOH P 9 . ? -19.352 10.739 34.632 1.00 39.67 ? 1258 HOH A O 1 HETATM 3142 O O . HOH P 9 . ? 0.500 23.487 18.022 1.00 58.17 ? 1259 HOH A O 1 HETATM 3143 O O . HOH P 9 . ? -10.184 2.118 17.742 1.00 34.89 ? 1261 HOH A O 1 HETATM 3144 O O . HOH P 9 . ? -22.862 -20.806 12.735 1.00 45.07 ? 1262 HOH A O 1 HETATM 3145 O O . HOH P 9 . ? -13.373 -12.470 -8.807 1.00 77.14 ? 1263 HOH A O 1 HETATM 3146 O O . HOH P 9 . ? -23.171 -20.684 10.067 1.00 80.31 ? 1266 HOH A O 1 HETATM 3147 O O . HOH P 9 . ? -30.694 -18.894 7.613 1.00 46.93 ? 1267 HOH A O 1 HETATM 3148 O O . HOH P 9 . ? 15.498 6.697 28.565 1.00 53.77 ? 1270 HOH A O 1 HETATM 3149 O O . HOH P 9 . ? 10.398 4.194 0.740 1.00 61.32 ? 1271 HOH A O 1 HETATM 3150 O O . HOH P 9 . ? -39.901 -2.716 11.510 1.00 51.04 ? 1273 HOH A O 1 HETATM 3151 O O . HOH P 9 . ? -25.058 -22.115 14.721 1.00 62.18 ? 1274 HOH A O 1 HETATM 3152 O O . HOH P 9 . ? -8.169 -1.466 4.287 1.00 39.12 ? 1275 HOH A O 1 HETATM 3153 O O . HOH P 9 . ? -14.991 -18.164 3.704 1.00 64.56 ? 1278 HOH A O 1 HETATM 3154 O O . HOH P 9 . ? -20.092 18.688 28.963 1.00 33.32 ? 1280 HOH A O 1 HETATM 3155 O O . HOH P 9 . ? -13.574 -17.658 -1.955 1.00 42.65 ? 1281 HOH A O 1 HETATM 3156 O O . HOH P 9 . ? -32.441 6.572 3.927 1.00 45.92 ? 1283 HOH A O 1 HETATM 3157 O O . HOH P 9 . ? 11.768 11.311 32.851 1.00 43.84 ? 1284 HOH A O 1 HETATM 3158 O O . HOH P 9 . ? -29.810 -15.896 0.399 1.00 65.06 ? 1286 HOH A O 1 HETATM 3159 O O . HOH P 9 . ? -34.811 -9.788 27.706 1.00 49.94 ? 1287 HOH A O 1 HETATM 3160 O O . HOH P 9 . ? -17.377 24.533 18.325 1.00 46.86 ? 1288 HOH A O 1 HETATM 3161 O O . HOH P 9 . ? 1.280 21.710 15.154 1.00 45.24 ? 1290 HOH A O 1 HETATM 3162 O O . HOH P 9 . ? -35.789 0.782 31.200 1.00 53.95 ? 1291 HOH A O 1 HETATM 3163 O O . HOH P 9 . ? -9.787 -18.901 9.485 1.00 41.11 ? 1295 HOH A O 1 HETATM 3164 O O . HOH P 9 . ? -15.480 -7.934 -8.873 1.00 68.18 ? 1297 HOH A O 1 HETATM 3165 O O . HOH P 9 . ? 6.667 -1.071 6.843 1.00 46.97 ? 1298 HOH A O 1 HETATM 3166 O O . HOH P 9 . ? -11.835 -18.885 0.076 1.00 41.54 ? 1299 HOH A O 1 HETATM 3167 O O . HOH P 9 . ? -12.101 17.472 -4.762 1.00 62.75 ? 1301 HOH A O 1 HETATM 3168 O O . HOH P 9 . ? -1.378 24.009 21.255 1.00 60.43 ? 1303 HOH A O 1 HETATM 3169 O O . HOH P 9 . ? -1.928 -9.786 13.300 1.00 36.53 ? 1305 HOH A O 1 HETATM 3170 O O . HOH P 9 . ? 6.404 -8.814 14.966 1.00 66.74 ? 1306 HOH A O 1 HETATM 3171 O O . HOH P 9 . ? 9.988 -2.155 23.381 1.00 54.63 ? 1307 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,O,P # _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 ? N FE . ? A FE 84 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 88.9 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 170.9 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 98.8 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 94.0 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 103.2 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 79.6 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 88.9 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 93.3 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 95.5 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O2 ? O CO3 . ? A CO3 85 ? 1_555 163.2 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 85.7 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 155.5 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 89.3 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 101.0 ? 15 O2 ? O CO3 . ? A CO3 85 ? 1_555 FE ? N FE . ? A FE 84 ? 1_555 O1 ? O CO3 . ? A CO3 85 ? 1_555 62.7 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 O ? P HOH . ? A HOH 1240 ? 1_555 93.2 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 O ? P HOH . ? A HOH 893 ? 1_555 117.6 ? 18 O ? P HOH . ? A HOH 1240 ? 1_555 ZN ? M ZN . ? A ZN 82 ? 1_555 O ? P HOH . ? A HOH 893 ? 1_555 92.0 ? 19 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? L ZN . ? A ZN 81 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 58.1 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2009-10-13 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2011-09-07 # _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' 3 3 'Structure model' 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.2.0019 ? 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 3K0V _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # 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 VAL A 410 ? ? -121.95 -53.86 2 1 SER A 417 ? ? -133.74 -153.87 3 1 ASP A 462 ? ? 80.65 -7.53 4 1 TRP A 467 ? ? -145.38 -61.00 5 1 VAL A 543 ? ? -134.56 -158.21 6 1 THR A 557 ? ? 74.01 -17.19 7 1 GLU A 583 ? ? -96.11 58.52 8 1 SER A 634 ? ? -150.73 31.45 9 1 THR A 636 ? ? 39.64 35.09 10 1 LEU A 640 ? ? 64.77 -60.45 11 1 ARG A 654 ? ? 26.14 66.56 # _pdbx_validate_main_chain_plane.id 1 _pdbx_validate_main_chain_plane.PDB_model_num 1 _pdbx_validate_main_chain_plane.auth_comp_id ASP _pdbx_validate_main_chain_plane.auth_asym_id A _pdbx_validate_main_chain_plane.auth_seq_id 513 _pdbx_validate_main_chain_plane.PDB_ins_code ? _pdbx_validate_main_chain_plane.label_alt_id ? _pdbx_validate_main_chain_plane.improper_torsion_angle -10.03 # 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 'beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose' DXI 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-D-MANNOSE MAN 5 'SULFATE ION' SO4 6 'ZINC ION' ZN 7 'FE (III) ION' FE 8 'CARBONATE ION' CO3 9 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 DXI 1 1 1 DXI DXI A . C 3 NAG 1 2 2 NAG NAG A . D 3 NAG 2 687 1 NAG NAG A . E 3 NAG 1 3 3 NAG NAG A . F 3 NAG 2 4 4 NAG NAG A . G 4 MAN 3 5 5 MAN MAN A . H 3 NAG 1 8 8 NAG NAG A . I 3 NAG 2 9 9 NAG NAG A . J 4 MAN 3 10 10 MAN MAN A . K 5 SO4 1 68 68 SO4 SO4 A . L 6 ZN 1 81 81 ZN ZN A . M 6 ZN 1 82 82 ZN ZN A . N 7 FE 1 84 84 FE FE A . O 8 CO3 1 85 85 CO3 CO3 A . P 9 HOH 1 806 806 HOH HOH A . P 9 HOH 2 807 807 HOH HOH A . P 9 HOH 3 808 808 HOH HOH A . P 9 HOH 4 809 809 HOH HOH A . P 9 HOH 5 810 810 HOH HOH A . P 9 HOH 6 811 811 HOH HOH A . P 9 HOH 7 812 812 HOH HOH A . P 9 HOH 8 813 813 HOH HOH A . P 9 HOH 9 814 814 HOH HOH A . P 9 HOH 10 815 815 HOH HOH A . P 9 HOH 11 816 816 HOH HOH A . P 9 HOH 12 817 817 HOH HOH A . P 9 HOH 13 818 818 HOH HOH A . P 9 HOH 14 819 819 HOH HOH A . P 9 HOH 15 820 820 HOH HOH A . P 9 HOH 16 821 821 HOH HOH A . P 9 HOH 17 822 822 HOH HOH A . P 9 HOH 18 823 823 HOH HOH A . P 9 HOH 19 824 824 HOH HOH A . P 9 HOH 20 825 825 HOH HOH A . P 9 HOH 21 826 826 HOH HOH A . P 9 HOH 22 827 827 HOH HOH A . P 9 HOH 23 828 828 HOH HOH A . P 9 HOH 24 829 829 HOH HOH A . P 9 HOH 25 830 830 HOH HOH A . P 9 HOH 26 831 831 HOH HOH A . P 9 HOH 27 832 832 HOH HOH A . P 9 HOH 28 833 833 HOH HOH A . P 9 HOH 29 834 834 HOH HOH A . P 9 HOH 30 835 835 HOH HOH A . P 9 HOH 31 836 836 HOH HOH A . P 9 HOH 32 837 837 HOH HOH A . P 9 HOH 33 838 838 HOH HOH A . P 9 HOH 34 839 839 HOH HOH A . P 9 HOH 35 840 840 HOH HOH A . P 9 HOH 36 841 841 HOH HOH A . P 9 HOH 37 842 842 HOH HOH A . P 9 HOH 38 843 843 HOH HOH A . P 9 HOH 39 844 844 HOH HOH A . P 9 HOH 40 845 845 HOH HOH A . P 9 HOH 41 846 846 HOH HOH A . P 9 HOH 42 847 847 HOH HOH A . P 9 HOH 43 848 848 HOH HOH A . P 9 HOH 44 849 849 HOH HOH A . P 9 HOH 45 850 850 HOH HOH A . P 9 HOH 46 851 851 HOH HOH A . P 9 HOH 47 852 852 HOH HOH A . P 9 HOH 48 853 853 HOH HOH A . P 9 HOH 49 854 854 HOH HOH A . P 9 HOH 50 855 855 HOH HOH A . P 9 HOH 51 856 856 HOH HOH A . P 9 HOH 52 857 857 HOH HOH A . P 9 HOH 53 858 858 HOH HOH A . P 9 HOH 54 859 859 HOH HOH A . P 9 HOH 55 861 861 HOH HOH A . P 9 HOH 56 862 862 HOH HOH A . P 9 HOH 57 864 864 HOH HOH A . P 9 HOH 58 866 866 HOH HOH A . P 9 HOH 59 867 867 HOH HOH A . P 9 HOH 60 868 868 HOH HOH A . P 9 HOH 61 869 869 HOH HOH A . P 9 HOH 62 870 870 HOH HOH A . P 9 HOH 63 871 871 HOH HOH A . P 9 HOH 64 872 872 HOH HOH A . P 9 HOH 65 873 873 HOH HOH A . P 9 HOH 66 874 874 HOH HOH A . P 9 HOH 67 875 875 HOH HOH A . P 9 HOH 68 876 876 HOH HOH A . P 9 HOH 69 877 877 HOH HOH A . P 9 HOH 70 878 878 HOH HOH A . P 9 HOH 71 879 879 HOH HOH A . P 9 HOH 72 880 880 HOH HOH A . P 9 HOH 73 881 881 HOH HOH A . P 9 HOH 74 882 882 HOH HOH A . P 9 HOH 75 883 883 HOH HOH A . P 9 HOH 76 884 884 HOH HOH A . P 9 HOH 77 885 885 HOH HOH A . P 9 HOH 78 887 887 HOH HOH A . P 9 HOH 79 888 888 HOH HOH A . P 9 HOH 80 889 889 HOH HOH A . P 9 HOH 81 890 890 HOH HOH A . P 9 HOH 82 891 891 HOH HOH A . P 9 HOH 83 892 892 HOH HOH A . P 9 HOH 84 893 893 HOH HOH A . P 9 HOH 85 894 894 HOH HOH A . P 9 HOH 86 895 895 HOH HOH A . P 9 HOH 87 896 896 HOH HOH A . P 9 HOH 88 897 897 HOH HOH A . P 9 HOH 89 898 898 HOH HOH A . P 9 HOH 90 899 899 HOH HOH A . P 9 HOH 91 900 900 HOH HOH A . P 9 HOH 92 901 901 HOH HOH A . P 9 HOH 93 902 902 HOH HOH A . P 9 HOH 94 903 903 HOH HOH A . P 9 HOH 95 904 904 HOH HOH A . P 9 HOH 96 905 905 HOH HOH A . P 9 HOH 97 906 906 HOH HOH A . P 9 HOH 98 907 907 HOH HOH A . P 9 HOH 99 908 908 HOH HOH A . P 9 HOH 100 909 909 HOH HOH A . P 9 HOH 101 910 910 HOH HOH A . P 9 HOH 102 911 911 HOH HOH A . P 9 HOH 103 912 912 HOH HOH A . P 9 HOH 104 913 913 HOH HOH A . P 9 HOH 105 914 914 HOH HOH A . P 9 HOH 106 915 915 HOH HOH A . P 9 HOH 107 917 917 HOH HOH A . P 9 HOH 108 918 918 HOH HOH A . P 9 HOH 109 919 919 HOH HOH A . P 9 HOH 110 921 921 HOH HOH A . P 9 HOH 111 922 922 HOH HOH A . P 9 HOH 112 923 923 HOH HOH A . P 9 HOH 113 924 924 HOH HOH A . P 9 HOH 114 925 925 HOH HOH A . P 9 HOH 115 926 926 HOH HOH A . P 9 HOH 116 927 927 HOH HOH A . P 9 HOH 117 929 929 HOH HOH A . P 9 HOH 118 930 930 HOH HOH A . P 9 HOH 119 931 931 HOH HOH A . P 9 HOH 120 932 932 HOH HOH A . P 9 HOH 121 933 933 HOH HOH A . P 9 HOH 122 934 934 HOH HOH A . P 9 HOH 123 935 935 HOH HOH A . P 9 HOH 124 936 936 HOH HOH A . P 9 HOH 125 937 937 HOH HOH A . P 9 HOH 126 939 939 HOH HOH A . P 9 HOH 127 940 940 HOH HOH A . P 9 HOH 128 941 941 HOH HOH A . P 9 HOH 129 942 942 HOH HOH A . P 9 HOH 130 944 944 HOH HOH A . P 9 HOH 131 945 945 HOH HOH A . P 9 HOH 132 946 946 HOH HOH A . P 9 HOH 133 947 947 HOH HOH A . P 9 HOH 134 948 948 HOH HOH A . P 9 HOH 135 950 950 HOH HOH A . P 9 HOH 136 951 951 HOH HOH A . P 9 HOH 137 952 952 HOH HOH A . P 9 HOH 138 953 953 HOH HOH A . P 9 HOH 139 954 954 HOH HOH A . P 9 HOH 140 955 955 HOH HOH A . P 9 HOH 141 957 957 HOH HOH A . P 9 HOH 142 958 958 HOH HOH A . P 9 HOH 143 960 960 HOH HOH A . P 9 HOH 144 961 961 HOH HOH A . P 9 HOH 145 962 962 HOH HOH A . P 9 HOH 146 963 963 HOH HOH A . P 9 HOH 147 964 964 HOH HOH A . P 9 HOH 148 965 965 HOH HOH A . P 9 HOH 149 967 967 HOH HOH A . P 9 HOH 150 968 968 HOH HOH A . P 9 HOH 151 969 969 HOH HOH A . P 9 HOH 152 970 970 HOH HOH A . P 9 HOH 153 971 971 HOH HOH A . P 9 HOH 154 972 972 HOH HOH A . P 9 HOH 155 973 973 HOH HOH A . P 9 HOH 156 974 974 HOH HOH A . P 9 HOH 157 975 975 HOH HOH A . P 9 HOH 158 977 977 HOH HOH A . P 9 HOH 159 978 978 HOH HOH A . P 9 HOH 160 979 979 HOH HOH A . P 9 HOH 161 980 980 HOH HOH A . P 9 HOH 162 981 981 HOH HOH A . P 9 HOH 163 982 982 HOH HOH A . P 9 HOH 164 984 984 HOH HOH A . P 9 HOH 165 986 986 HOH HOH A . P 9 HOH 166 987 987 HOH HOH A . P 9 HOH 167 988 988 HOH HOH A . P 9 HOH 168 989 989 HOH HOH A . P 9 HOH 169 990 990 HOH HOH A . P 9 HOH 170 991 991 HOH HOH A . P 9 HOH 171 992 992 HOH HOH A . P 9 HOH 172 995 995 HOH HOH A . P 9 HOH 173 998 998 HOH HOH A . P 9 HOH 174 999 999 HOH HOH A . P 9 HOH 175 1000 1000 HOH HOH A . P 9 HOH 176 1001 1001 HOH HOH A . P 9 HOH 177 1002 1002 HOH HOH A . P 9 HOH 178 1003 1003 HOH HOH A . P 9 HOH 179 1004 1004 HOH HOH A . P 9 HOH 180 1005 1005 HOH HOH A . P 9 HOH 181 1006 1006 HOH HOH A . P 9 HOH 182 1007 1007 HOH HOH A . P 9 HOH 183 1009 1009 HOH HOH A . P 9 HOH 184 1010 1010 HOH HOH A . P 9 HOH 185 1011 1011 HOH HOH A . P 9 HOH 186 1014 1014 HOH HOH A . P 9 HOH 187 1015 1015 HOH HOH A . P 9 HOH 188 1016 1016 HOH HOH A . P 9 HOH 189 1017 1017 HOH HOH A . P 9 HOH 190 1018 1018 HOH HOH A . P 9 HOH 191 1019 1019 HOH HOH A . P 9 HOH 192 1020 1020 HOH HOH A . P 9 HOH 193 1021 1021 HOH HOH A . P 9 HOH 194 1022 1022 HOH HOH A . P 9 HOH 195 1023 1023 HOH HOH A . P 9 HOH 196 1024 1024 HOH HOH A . P 9 HOH 197 1025 1025 HOH HOH A . P 9 HOH 198 1026 1026 HOH HOH A . P 9 HOH 199 1027 1027 HOH HOH A . P 9 HOH 200 1029 1029 HOH HOH A . P 9 HOH 201 1030 1030 HOH HOH A . P 9 HOH 202 1031 1031 HOH HOH A . P 9 HOH 203 1032 1032 HOH HOH A . P 9 HOH 204 1034 1034 HOH HOH A . P 9 HOH 205 1035 1035 HOH HOH A . P 9 HOH 206 1036 1036 HOH HOH A . P 9 HOH 207 1037 1037 HOH HOH A . P 9 HOH 208 1038 1038 HOH HOH A . P 9 HOH 209 1039 1039 HOH HOH A . P 9 HOH 210 1040 1040 HOH HOH A . P 9 HOH 211 1041 1041 HOH HOH A . P 9 HOH 212 1042 1042 HOH HOH A . P 9 HOH 213 1043 1043 HOH HOH A . P 9 HOH 214 1044 1044 HOH HOH A . P 9 HOH 215 1045 1045 HOH HOH A . P 9 HOH 216 1046 1046 HOH HOH A . P 9 HOH 217 1047 1047 HOH HOH A . P 9 HOH 218 1048 1048 HOH HOH A . P 9 HOH 219 1049 1049 HOH HOH A . P 9 HOH 220 1051 1051 HOH HOH A . P 9 HOH 221 1052 1052 HOH HOH A . P 9 HOH 222 1053 1053 HOH HOH A . P 9 HOH 223 1054 1054 HOH HOH A . P 9 HOH 224 1055 1055 HOH HOH A . P 9 HOH 225 1056 1056 HOH HOH A . P 9 HOH 226 1057 1057 HOH HOH A . P 9 HOH 227 1058 1058 HOH HOH A . P 9 HOH 228 1059 1059 HOH HOH A . P 9 HOH 229 1060 1060 HOH HOH A . P 9 HOH 230 1061 1061 HOH HOH A . P 9 HOH 231 1062 1062 HOH HOH A . P 9 HOH 232 1063 1063 HOH HOH A . P 9 HOH 233 1064 1064 HOH HOH A . P 9 HOH 234 1065 1065 HOH HOH A . P 9 HOH 235 1066 1066 HOH HOH A . P 9 HOH 236 1067 1067 HOH HOH A . P 9 HOH 237 1068 1068 HOH HOH A . P 9 HOH 238 1070 1070 HOH HOH A . P 9 HOH 239 1071 1071 HOH HOH A . P 9 HOH 240 1072 1072 HOH HOH A . P 9 HOH 241 1073 1073 HOH HOH A . P 9 HOH 242 1074 1074 HOH HOH A . P 9 HOH 243 1077 1077 HOH HOH A . P 9 HOH 244 1078 1078 HOH HOH A . P 9 HOH 245 1079 1079 HOH HOH A . P 9 HOH 246 1080 1080 HOH HOH A . P 9 HOH 247 1081 1081 HOH HOH A . P 9 HOH 248 1083 1083 HOH HOH A . P 9 HOH 249 1084 1084 HOH HOH A . P 9 HOH 250 1085 1085 HOH HOH A . P 9 HOH 251 1086 1086 HOH HOH A . P 9 HOH 252 1087 1087 HOH HOH A . P 9 HOH 253 1088 1088 HOH HOH A . P 9 HOH 254 1089 1089 HOH HOH A . P 9 HOH 255 1090 1090 HOH HOH A . P 9 HOH 256 1091 1091 HOH HOH A . P 9 HOH 257 1092 1092 HOH HOH A . P 9 HOH 258 1093 1093 HOH HOH A . P 9 HOH 259 1094 1094 HOH HOH A . P 9 HOH 260 1095 1095 HOH HOH A . P 9 HOH 261 1097 1097 HOH HOH A . P 9 HOH 262 1098 1098 HOH HOH A . P 9 HOH 263 1099 1099 HOH HOH A . P 9 HOH 264 1100 1100 HOH HOH A . P 9 HOH 265 1101 1101 HOH HOH A . P 9 HOH 266 1102 1102 HOH HOH A . P 9 HOH 267 1104 1104 HOH HOH A . P 9 HOH 268 1105 1105 HOH HOH A . P 9 HOH 269 1106 1106 HOH HOH A . P 9 HOH 270 1107 1107 HOH HOH A . P 9 HOH 271 1108 1108 HOH HOH A . P 9 HOH 272 1109 1109 HOH HOH A . P 9 HOH 273 1110 1110 HOH HOH A . P 9 HOH 274 1112 1112 HOH HOH A . P 9 HOH 275 1113 1113 HOH HOH A . P 9 HOH 276 1114 1114 HOH HOH A . P 9 HOH 277 1115 1115 HOH HOH A . P 9 HOH 278 1116 1116 HOH HOH A . P 9 HOH 279 1117 1117 HOH HOH A . P 9 HOH 280 1118 1118 HOH HOH A . P 9 HOH 281 1120 1120 HOH HOH A . P 9 HOH 282 1121 1121 HOH HOH A . P 9 HOH 283 1122 1122 HOH HOH A . P 9 HOH 284 1123 1123 HOH HOH A . P 9 HOH 285 1124 1124 HOH HOH A . P 9 HOH 286 1125 1125 HOH HOH A . P 9 HOH 287 1126 1126 HOH HOH A . P 9 HOH 288 1127 1127 HOH HOH A . P 9 HOH 289 1128 1128 HOH HOH A . P 9 HOH 290 1129 1129 HOH HOH A . P 9 HOH 291 1131 1131 HOH HOH A . P 9 HOH 292 1133 1133 HOH HOH A . P 9 HOH 293 1134 1134 HOH HOH A . P 9 HOH 294 1136 1136 HOH HOH A . P 9 HOH 295 1137 1137 HOH HOH A . P 9 HOH 296 1138 1138 HOH HOH A . P 9 HOH 297 1139 1139 HOH HOH A . P 9 HOH 298 1140 1140 HOH HOH A . P 9 HOH 299 1142 1142 HOH HOH A . P 9 HOH 300 1143 1143 HOH HOH A . P 9 HOH 301 1144 1144 HOH HOH A . P 9 HOH 302 1145 1145 HOH HOH A . P 9 HOH 303 1146 1146 HOH HOH A . P 9 HOH 304 1147 1147 HOH HOH A . P 9 HOH 305 1148 1148 HOH HOH A . P 9 HOH 306 1149 1149 HOH HOH A . P 9 HOH 307 1150 1150 HOH HOH A . P 9 HOH 308 1152 1152 HOH HOH A . P 9 HOH 309 1153 1153 HOH HOH A . P 9 HOH 310 1154 1154 HOH HOH A . P 9 HOH 311 1155 1155 HOH HOH A . P 9 HOH 312 1156 1156 HOH HOH A . P 9 HOH 313 1157 1157 HOH HOH A . P 9 HOH 314 1158 1158 HOH HOH A . P 9 HOH 315 1161 1161 HOH HOH A . P 9 HOH 316 1162 1162 HOH HOH A . P 9 HOH 317 1164 1164 HOH HOH A . P 9 HOH 318 1165 1165 HOH HOH A . P 9 HOH 319 1166 1166 HOH HOH A . P 9 HOH 320 1167 1167 HOH HOH A . P 9 HOH 321 1168 1168 HOH HOH A . P 9 HOH 322 1170 1170 HOH HOH A . P 9 HOH 323 1172 1172 HOH HOH A . P 9 HOH 324 1173 1173 HOH HOH A . P 9 HOH 325 1175 1175 HOH HOH A . P 9 HOH 326 1176 1176 HOH HOH A . P 9 HOH 327 1177 1177 HOH HOH A . P 9 HOH 328 1179 1179 HOH HOH A . P 9 HOH 329 1181 1181 HOH HOH A . P 9 HOH 330 1183 1183 HOH HOH A . P 9 HOH 331 1184 1184 HOH HOH A . P 9 HOH 332 1186 1186 HOH HOH A . P 9 HOH 333 1188 1188 HOH HOH A . P 9 HOH 334 1189 1189 HOH HOH A . P 9 HOH 335 1190 1190 HOH HOH A . P 9 HOH 336 1194 1194 HOH HOH A . P 9 HOH 337 1195 1195 HOH HOH A . P 9 HOH 338 1196 1196 HOH HOH A . P 9 HOH 339 1197 1197 HOH HOH A . P 9 HOH 340 1198 1198 HOH HOH A . P 9 HOH 341 1199 1199 HOH HOH A . P 9 HOH 342 1202 1202 HOH HOH A . P 9 HOH 343 1203 1203 HOH HOH A . P 9 HOH 344 1204 1204 HOH HOH A . P 9 HOH 345 1206 1206 HOH HOH A . P 9 HOH 346 1207 1207 HOH HOH A . P 9 HOH 347 1208 1208 HOH HOH A . P 9 HOH 348 1209 1209 HOH HOH A . P 9 HOH 349 1210 1210 HOH HOH A . P 9 HOH 350 1212 1212 HOH HOH A . P 9 HOH 351 1213 1213 HOH HOH A . P 9 HOH 352 1214 1214 HOH HOH A . P 9 HOH 353 1215 1215 HOH HOH A . P 9 HOH 354 1216 1216 HOH HOH A . P 9 HOH 355 1217 1217 HOH HOH A . P 9 HOH 356 1218 1218 HOH HOH A . P 9 HOH 357 1219 1219 HOH HOH A . P 9 HOH 358 1220 1220 HOH HOH A . P 9 HOH 359 1223 1223 HOH HOH A . P 9 HOH 360 1224 1224 HOH HOH A . P 9 HOH 361 1226 1226 HOH HOH A . P 9 HOH 362 1227 1227 HOH HOH A . P 9 HOH 363 1228 1228 HOH HOH A . P 9 HOH 364 1230 1230 HOH HOH A . P 9 HOH 365 1232 1232 HOH HOH A . P 9 HOH 366 1233 1233 HOH HOH A . P 9 HOH 367 1234 1234 HOH HOH A . P 9 HOH 368 1235 1235 HOH HOH A . P 9 HOH 369 1236 1236 HOH HOH A . P 9 HOH 370 1237 1237 HOH HOH A . P 9 HOH 371 1240 1240 HOH HOH A . P 9 HOH 372 1241 1241 HOH HOH A . P 9 HOH 373 1242 1242 HOH HOH A . P 9 HOH 374 1244 1244 HOH HOH A . P 9 HOH 375 1248 1248 HOH HOH A . P 9 HOH 376 1249 1249 HOH HOH A . P 9 HOH 377 1250 1250 HOH HOH A . P 9 HOH 378 1251 1251 HOH HOH A . P 9 HOH 379 1252 1252 HOH HOH A . P 9 HOH 380 1253 1253 HOH HOH A . P 9 HOH 381 1254 1254 HOH HOH A . P 9 HOH 382 1255 1255 HOH HOH A . P 9 HOH 383 1256 1256 HOH HOH A . P 9 HOH 384 1257 1257 HOH HOH A . P 9 HOH 385 1258 1258 HOH HOH A . P 9 HOH 386 1259 1259 HOH HOH A . P 9 HOH 387 1261 1261 HOH HOH A . P 9 HOH 388 1262 1262 HOH HOH A . P 9 HOH 389 1263 1263 HOH HOH A . P 9 HOH 390 1266 1266 HOH HOH A . P 9 HOH 391 1267 1267 HOH HOH A . P 9 HOH 392 1270 1270 HOH HOH A . P 9 HOH 393 1271 1271 HOH HOH A . P 9 HOH 394 1273 1273 HOH HOH A . P 9 HOH 395 1274 1274 HOH HOH A . P 9 HOH 396 1275 1275 HOH HOH A . P 9 HOH 397 1278 1278 HOH HOH A . P 9 HOH 398 1280 1280 HOH HOH A . P 9 HOH 399 1281 1281 HOH HOH A . P 9 HOH 400 1283 1283 HOH HOH A . P 9 HOH 401 1284 1284 HOH HOH A . P 9 HOH 402 1286 1286 HOH HOH A . P 9 HOH 403 1287 1287 HOH HOH A . P 9 HOH 404 1288 1288 HOH HOH A . P 9 HOH 405 1290 1290 HOH HOH A . P 9 HOH 406 1291 1291 HOH HOH A . P 9 HOH 407 1295 1295 HOH HOH A . P 9 HOH 408 1297 1297 HOH HOH A . P 9 HOH 409 1298 1298 HOH HOH A . P 9 HOH 410 1299 1299 HOH HOH A . P 9 HOH 411 1301 1301 HOH HOH A . P 9 HOH 412 1303 1303 HOH HOH A . P 9 HOH 413 1305 1305 HOH HOH A . P 9 HOH 414 1306 1306 HOH HOH A . P 9 HOH 415 1307 1307 HOH HOH A . #