data_3IB0 # _entry.id 3IB0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.298 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3IB0 RCSB RCSB054187 WWPDB D_1000054187 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2009-08-11 _pdbx_database_PDB_obs_spr.pdb_id 3IB0 _pdbx_database_PDB_obs_spr.replace_pdb_id '2B6D 3HWV' _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 2B6D _pdbx_database_related.details ;Specific binding of non-steroidal anti-inflammatory drugs (NSAIDS) to lactoferrin: Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with diclofenac at 1.4 A resolution ; _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3IB0 _pdbx_database_status.recvd_initial_deposition_date 2009-07-15 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Singh, N.' 2 'Sinha, M.' 3 'Sharma, S.' 4 'Kaur, P.' 5 'Srinivasan, A.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title ;The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin ; _citation.journal_abbrev Biophys.J. _citation.journal_volume 97 _citation.page_first 3178 _citation.page_last 3186 _citation.year 2009 _citation.journal_id_ASTM BIOJAU _citation.country US _citation.journal_id_ISSN 0006-3495 _citation.journal_id_CSD 0030 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20006955 _citation.pdbx_database_id_DOI 10.1016/j.bpj.2009.09.030 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Mir, R.' 1 ? primary 'Singh, N.' 2 ? primary 'Vikram, G.' 3 ? primary 'Kumar, R.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 3IB0 _cell.length_a 61.432 _cell.length_b 49.865 _cell.length_c 65.165 _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 3IB0 _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.- ? 'UNP residues 361-705' ? 2 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 3 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 4 non-polymer syn '2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID' 296.149 1 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 8 non-polymer man ALPHA-D-MANNOSE 180.156 7 ? ? ? ? 9 non-polymer syn ETHANOL 46.068 1 ? ? ? ? 10 water nat water 18.015 509 ? ? ? ? # _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 _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 3IB0 _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 3IB0 LYS A 224 ? UNP P24627 ASN 584 'SEE SEQUENCE DETAILS' 565 1 1 3IB0 GLU A 267 ? UNP P24627 LYS 627 'SEE SEQUENCE DETAILS' 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 DIF non-polymer . '2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID' DICLOFENAC 'C14 H11 Cl2 N O2' 296.149 EOH non-polymer . ETHANOL ? 'C2 H6 O' 46.068 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 3IB0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.53 _exptl_crystal.density_percent_sol 51.45 _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 '0.1M MES, 25% POLY ETHYLENE GLYCOL MONOMETHYL ETHER-550, 0.1M ZNSO4, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 203 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2005-09-06 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.8 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X13' _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, HAMBURG' _diffrn_source.pdbx_synchrotron_beamline X13 _diffrn_source.pdbx_wavelength 0.8 _diffrn_source.pdbx_wavelength_list 0.8 # _reflns.entry_id 3IB0 _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 62.260 _reflns.d_resolution_high 1.400 _reflns.number_obs 70446 _reflns.number_all 74524 _reflns.percent_possible_obs 99.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _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 1.40 _reflns_shell.d_res_low 1.43 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _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 3IB0 _refine.ls_number_reflns_obs 70446 _refine.ls_number_reflns_all 74524 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 62.26 _refine.ls_d_res_high 1.40 _refine.ls_percent_reflns_obs 99.6 _refine.ls_R_factor_obs 0.204 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.193 _refine.ls_R_factor_R_free 0.219 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.000 _refine.ls_number_reflns_R_free 3738 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.957 _refine.correlation_coeff_Fo_to_Fc_free 0.949 _refine.B_iso_mean 23.61 _refine.aniso_B[1][1] 0.70000 _refine.aniso_B[2][2] -0.63000 _refine.aniso_B[3][3] -0.38000 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] -0.53000 _refine.aniso_B[2][3] 0.00000 _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 1NKX' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.070 _refine.pdbx_overall_ESU_R_Free 0.067 _refine.overall_SU_ML 0.044 _refine.overall_SU_B 1.107 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _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 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 200 _refine_hist.number_atoms_solvent 509 _refine_hist.number_atoms_total 3314 _refine_hist.d_res_high 1.40 _refine_hist.d_res_low 62.26 # 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 0.006 0.022 ? 2874 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.467 2.030 ? 3913 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.216 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 38.734 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.736 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.983 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.078 0.200 ? 463 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.021 ? 2058 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.635 1.500 ? 1696 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.223 2.000 ? 2704 'X-RAY DIFFRACTION' ? r_scbond_it 1.681 3.000 ? 1178 'X-RAY DIFFRACTION' ? r_scangle_it 2.829 4.500 ? 1209 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.40 _refine_ls_shell.d_res_low 1.44 _refine_ls_shell.number_reflns_R_work 5133 _refine_ls_shell.R_factor_R_work 0.2910 _refine_ls_shell.percent_reflns_obs 97.86 _refine_ls_shell.R_factor_R_free 0.2980 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 262 _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 3IB0 _struct.title ;Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with diclofenac ; _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 3IB0 _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text ;C-LOBE, DRUGS, METAL BINDING PROTEIN, 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 4 ? E N N 5 ? F N N 5 ? G N N 6 ? H N N 6 ? I N N 7 ? J N N 7 ? K N N 7 ? L N N 7 ? M N N 8 ? N N N 8 ? O N N 8 ? P N N 7 ? Q N N 7 ? R N N 8 ? S N N 8 ? T N N 8 ? U N N 8 ? V N N 9 ? W N N 10 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P8 8 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P9 9 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P10 10 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P11 11 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P12 12 PRO A 239 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P13 13 ARG A 259 ? GLY A 278 ? ARG A 600 GLY A 619 1 ? 20 HELX_P HELX_P14 14 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P15 15 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.042 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.051 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.185 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.039 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.043 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.040 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.050 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 1.993 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.035 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.051 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 368 A NAG 690 1_555 ? ? ? ? ? ? ? 1.446 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 B FE . FE ? ? A ASP 395 A FE 999 1_555 ? ? ? ? ? ? ? 2.155 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 B FE . FE ? ? A TYR 433 A FE 999 1_555 ? ? ? ? ? ? ? 2.010 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.447 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 B FE . FE ? ? A TYR 526 A FE 999 1_555 ? ? ? ? ? ? ? 2.042 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 P NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.441 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 H ZN . ZN ? ? A HIS 588 A ZN 689 1_555 ? ? ? ? ? ? ? 2.032 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 B FE . FE ? ? A HIS 595 A FE 999 1_555 ? ? ? ? ? ? ? 2.127 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 G ZN . ZN ? ? A GLU 659 A ZN 688 1_555 ? ? ? ? ? ? ? 2.185 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 G ZN . ZN ? ? A GLU 659 A ZN 688 1_555 ? ? ? ? ? ? ? 2.096 ? metalc8 metalc ? ? B FE . FE ? ? ? 1_555 C CO3 . O1 ? ? A FE 999 A CO3 687 1_555 ? ? ? ? ? ? ? 2.185 ? metalc9 metalc ? ? B FE . FE ? ? ? 1_555 C CO3 . O2 ? ? A FE 999 A CO3 687 1_555 ? ? ? ? ? ? ? 2.096 ? metalc10 metalc ? ? G ZN . ZN ? ? ? 1_555 W HOH . O ? ? A ZN 688 A HOH 785 1_555 ? ? ? ? ? ? ? 2.045 ? metalc11 metalc ? ? H ZN . ZN ? ? ? 1_555 W HOH . O ? ? A ZN 689 A HOH 800 1_555 ? ? ? ? ? ? ? 2.267 ? metalc12 metalc ? ? H ZN . ZN ? ? ? 1_555 W HOH . O ? ? A ZN 689 A HOH 88 1_555 ? ? ? ? ? ? ? 2.047 ? covale4 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 690 A NAG 691 1_555 ? ? ? ? ? ? ? 1.438 ? covale5 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.403 ? covale6 covale ? ? L NAG . O4 ? ? ? 1_555 M MAN . C1 ? ? A NAG 4 A MAN 5 1_555 ? ? ? ? ? ? ? 1.420 ? covale7 covale ? ? M MAN . O4 ? ? ? 1_555 N MAN . C1 ? ? A MAN 5 A MAN 6 1_555 ? ? ? ? ? ? ? 1.440 ? covale8 covale ? ? M MAN . O6 ? ? ? 1_555 O MAN . C1 ? ? A MAN 5 A MAN 7 1_555 ? ? ? ? ? ? ? 1.530 ? covale9 covale ? ? P NAG . O4 ? ? ? 1_555 Q NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.434 ? covale10 covale ? ? Q NAG . O4 ? ? ? 1_555 R MAN . C1 ? ? A NAG 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.478 ? covale11 covale ? ? R MAN . O4 ? ? ? 1_555 S MAN . C1 ? ? A MAN 10 A MAN 11 1_555 ? ? ? ? ? ? ? 1.462 ? covale12 covale ? ? S MAN . O4 ? ? ? 1_555 T MAN . C1 ? ? A MAN 11 A MAN 12 1_555 ? ? ? ? ? ? ? 1.497 ? covale13 covale ? ? T MAN . O4 ? ? ? 1_555 U MAN . C1 ? ? A MAN 12 A MAN 13 1_555 ? ? ? ? ? ? ? 1.444 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id CYS _struct_mon_prot_cis.label_seq_id 284 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id CYS _struct_mon_prot_cis.auth_seq_id 625 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 285 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 626 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 11.40 # 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 VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 999' AC2 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 687' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE DIF A 701' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 1' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 2' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 688' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 689' AC8 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 690' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 691' BC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 3' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 4' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 5' BC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 6' BC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 7' BC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 8' BC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 9' BC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 10' BC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 11' CC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 12' CC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 13' CC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE EOH A 703' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 2 AC1 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 3 AC1 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 4 AC1 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 5 AC1 5 CO3 C . ? CO3 A 687 . ? 1_555 ? 6 AC2 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 7 AC2 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 8 AC2 10 THR A 118 ? THR A 459 . ? 1_555 ? 9 AC2 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 10 AC2 10 THR A 123 ? THR A 464 . ? 1_555 ? 11 AC2 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 12 AC2 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 13 AC2 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 14 AC2 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 15 AC2 10 FE B . ? FE A 999 . ? 1_555 ? 16 AC3 8 HOH W . ? HOH A 213 . ? 1_555 ? 17 AC3 8 HOH W . ? HOH A 260 . ? 1_555 ? 18 AC3 8 PRO A 252 ? PRO A 593 . ? 1_555 ? 19 AC3 8 GLU A 318 ? GLU A 659 . ? 1_555 ? 20 AC3 8 TYR A 319 ? TYR A 660 . ? 1_555 ? 21 AC3 8 GLY A 321 ? GLY A 662 . ? 1_555 ? 22 AC3 8 THR A 322 ? THR A 663 . ? 1_555 ? 23 AC3 8 HOH W . ? HOH A 793 . ? 1_555 ? 24 AC4 7 HOH W . ? HOH A 55 . ? 1_555 ? 25 AC4 7 HOH W . ? HOH A 139 . ? 1_555 ? 26 AC4 7 HOH W . ? HOH A 152 . ? 1_555 ? 27 AC4 7 HOH W . ? HOH A 265 . ? 1_555 ? 28 AC4 7 ARG A 229 ? ARG A 570 . ? 1_555 ? 29 AC4 7 ARG A 237 ? ARG A 578 . ? 1_555 ? 30 AC4 7 HOH W . ? HOH A 723 . ? 1_555 ? 31 AC5 4 TYR A 1 ? TYR A 342 . ? 1_555 ? 32 AC5 4 THR A 2 ? THR A 343 . ? 1_555 ? 33 AC5 4 ARG A 262 ? ARG A 603 . ? 1_555 ? 34 AC5 4 HIS A 265 ? HIS A 606 . ? 1_555 ? 35 AC6 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 36 AC6 2 HOH W . ? HOH A 785 . ? 1_555 ? 37 AC7 4 HOH W . ? HOH A 88 . ? 1_555 ? 38 AC7 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 39 AC7 4 HOH W . ? HOH A 799 . ? 1_555 ? 40 AC7 4 HOH W . ? HOH A 800 . ? 1_555 ? 41 AC8 10 HOH W . ? HOH A 103 . ? 1_555 ? 42 AC8 10 HOH W . ? HOH A 167 . ? 1_555 ? 43 AC8 10 HOH W . ? HOH A 269 . ? 1_555 ? 44 AC8 10 HOH W . ? HOH A 308 . ? 1_555 ? 45 AC8 10 TYR A 1 ? TYR A 342 . ? 1_555 ? 46 AC8 10 SER A 24 ? SER A 365 . ? 1_555 ? 47 AC8 10 ASN A 27 ? ASN A 368 . ? 1_555 ? 48 AC8 10 GLN A 273 ? GLN A 614 . ? 1_555 ? 49 AC8 10 LEU A 276 ? LEU A 617 . ? 1_555 ? 50 AC8 10 NAG J . ? NAG A 691 . ? 1_555 ? 51 AC9 2 HOH W . ? HOH A 103 . ? 1_555 ? 52 AC9 2 NAG I . ? NAG A 690 . ? 1_555 ? 53 BC1 5 NAG L . ? NAG A 4 . ? 1_555 ? 54 BC1 5 HOH W . ? HOH A 134 . ? 1_555 ? 55 BC1 5 HOH W . ? HOH A 309 . ? 1_555 ? 56 BC1 5 ASN A 135 ? ASN A 476 . ? 1_555 ? 57 BC1 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 58 BC2 5 NAG K . ? NAG A 3 . ? 1_555 ? 59 BC2 5 MAN M . ? MAN A 5 . ? 1_555 ? 60 BC2 5 THR A 326 ? THR A 667 . ? 1_555 ? 61 BC2 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 62 BC2 5 HOH W . ? HOH A 710 . ? 1_555 ? 63 BC3 3 NAG L . ? NAG A 4 . ? 1_555 ? 64 BC3 3 MAN N . ? MAN A 6 . ? 1_555 ? 65 BC3 3 MAN O . ? MAN A 7 . ? 1_555 ? 66 BC4 2 MAN M . ? MAN A 5 . ? 1_555 ? 67 BC4 2 HOH W . ? HOH A 272 . ? 1_555 ? 68 BC5 1 MAN M . ? MAN A 5 . ? 1_555 ? 69 BC6 9 NAG Q . ? NAG A 9 . ? 1_555 ? 70 BC6 9 LEU A 93 ? LEU A 434 . ? 1_555 ? 71 BC6 9 ASN A 204 ? ASN A 545 . ? 1_555 ? 72 BC6 9 ASP A 205 ? ASP A 546 . ? 1_555 ? 73 BC6 9 TRP A 208 ? TRP A 549 . ? 1_555 ? 74 BC6 9 HOH W . ? HOH A 770 . ? 1_555 ? 75 BC6 9 HOH W . ? HOH A 775 . ? 1_555 ? 76 BC6 9 HOH W . ? HOH A 820 . ? 1_555 ? 77 BC6 9 HOH W . ? HOH A 824 . ? 1_555 ? 78 BC7 6 NAG P . ? NAG A 8 . ? 1_555 ? 79 BC7 6 MAN R . ? MAN A 10 . ? 1_555 ? 80 BC7 6 HOH W . ? HOH A 268 . ? 1_555 ? 81 BC7 6 SER A 77 ? SER A 418 . ? 1_555 ? 82 BC7 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 83 BC7 6 HOH W . ? HOH A 734 . ? 1_555 ? 84 BC8 4 NAG Q . ? NAG A 9 . ? 1_555 ? 85 BC8 4 MAN S . ? MAN A 11 . ? 1_555 ? 86 BC8 4 HOH W . ? HOH A 207 . ? 1_555 ? 87 BC8 4 LYS A 75 ? LYS A 416 . ? 1_555 ? 88 BC9 5 MAN R . ? MAN A 10 . ? 1_555 ? 89 BC9 5 MAN T . ? MAN A 12 . ? 1_555 ? 90 BC9 5 LYS A 78 ? LYS A 419 . ? 1_555 ? 91 BC9 5 HIS A 79 ? HIS A 420 . ? 1_555 ? 92 BC9 5 HOH W . ? HOH A 854 . ? 1_555 ? 93 CC1 3 MAN S . ? MAN A 11 . ? 1_555 ? 94 CC1 3 MAN U . ? MAN A 13 . ? 1_555 ? 95 CC1 3 HOH W . ? HOH A 836 . ? 1_555 ? 96 CC2 1 MAN T . ? MAN A 12 . ? 1_555 ? 97 CC3 1 GLY A 138 ? GLY A 479 . ? 1_555 ? # _database_PDB_matrix.entry_id 3IB0 _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 3IB0 _atom_sites.fract_transf_matrix[1][1] 0.016278 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005008 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.020054 _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] 0.016055 _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 CL 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 ? 43.016 13.261 28.788 1.00 26.65 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 41.589 13.058 28.400 1.00 26.19 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 41.127 11.671 28.807 1.00 25.39 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 41.928 10.840 29.223 1.00 25.94 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 41.415 13.234 26.892 1.00 26.62 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 42.128 12.187 26.060 1.00 27.60 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 41.469 11.033 25.654 1.00 28.41 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 43.456 12.352 25.677 1.00 28.89 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 42.110 10.072 24.893 1.00 29.18 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 44.106 11.395 24.920 1.00 29.36 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 43.428 10.257 24.530 1.00 29.57 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 44.067 9.301 23.770 1.00 29.97 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.831 11.415 28.668 1.00 24.30 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.291 10.117 29.064 1.00 23.01 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 38.836 9.238 27.896 1.00 21.78 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 38.460 9.716 26.827 1.00 21.73 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 38.134 10.259 30.067 1.00 23.01 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 37.025 10.890 29.426 1.00 23.11 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 38.564 11.098 31.258 1.00 23.82 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.876 7.935 28.130 1.00 20.55 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.390 6.974 27.161 1.00 19.44 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 36.874 7.049 27.145 1.00 18.03 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.273 7.385 28.161 1.00 17.75 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 38.779 5.558 27.583 1.00 19.88 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 40.246 5.318 27.926 1.00 23.10 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.486 3.825 28.222 1.00 27.03 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.186 3.426 29.612 1.00 30.38 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.046 2.884 30.072 1.00 31.20 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 37.993 2.646 29.290 1.00 30.69 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 38.954 2.581 31.360 1.00 32.82 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.255 6.724 26.011 1.00 16.18 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 34.805 6.557 25.966 1.00 15.29 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.476 5.079 25.979 1.00 14.38 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 34.997 4.308 25.174 1.00 14.50 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.195 7.221 24.727 1.00 14.78 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.731 6.795 24.549 1.00 15.55 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.301 8.720 24.862 1.00 16.36 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 33.626 4.686 26.918 1.00 13.44 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.237 3.295 27.056 1.00 13.17 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 31.917 3.059 26.340 1.00 12.64 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 30.867 3.530 26.770 1.00 12.45 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.114 2.874 28.528 1.00 13.22 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 32.844 1.384 28.624 1.00 13.72 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.397 3.235 29.283 1.00 14.38 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 31.978 2.339 25.231 1.00 11.71 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 30.779 2.037 24.464 1.00 11.77 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.102 0.814 25.050 1.00 11.95 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 30.765 -0.034 25.623 1.00 13.48 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.155 1.746 23.006 1.00 11.59 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.023 2.050 22.084 1.00 11.14 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.176 1.159 21.486 1.00 11.09 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.583 3.346 21.703 1.00 9.86 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.249 1.834 20.730 1.00 11.61 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.476 3.180 20.850 1.00 9.67 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.025 4.635 21.992 1.00 10.74 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 27.797 4.263 20.292 1.00 10.91 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.357 5.706 21.443 1.00 11.12 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.256 5.516 20.598 1.00 11.40 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 28.784 0.699 24.903 1.00 11.16 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.120 -0.520 25.337 1.00 11.10 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.593 -1.299 24.155 1.00 10.85 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 26.763 -0.804 23.391 1.00 11.27 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 26.980 -0.234 26.305 1.00 11.42 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.485 -1.711 27.251 1.00 12.15 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.085 -2.524 24.021 1.00 10.85 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 27.688 -3.414 22.948 1.00 10.64 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.625 -4.368 23.452 1.00 11.10 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 26.742 -4.912 24.551 1.00 11.61 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 28.910 -4.187 22.452 1.00 10.80 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.595 -4.566 22.636 1.00 10.96 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.499 -5.464 22.969 1.00 11.63 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 24.730 -6.828 22.304 1.00 11.72 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.579 -6.982 21.091 1.00 11.90 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.148 -4.851 22.549 1.00 11.48 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 21.994 -5.780 22.908 1.00 12.12 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 22.975 -3.495 23.217 1.00 11.94 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.122 -7.811 23.106 1.00 12.51 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.367 -9.153 22.588 1.00 13.31 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 26.769 -9.331 22.042 1.00 14.01 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.507 -8.361 21.842 1.00 13.66 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.143 -10.589 21.788 1.00 14.73 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.527 -10.909 21.436 1.00 15.40 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 28.987 -10.441 20.064 1.00 15.44 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.175 -10.228 19.881 1.00 16.24 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.586 -12.437 21.511 1.00 15.59 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.203 -12.909 21.660 1.00 16.60 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.313 -11.777 22.039 1.00 15.11 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.080 -10.315 19.100 1.00 15.17 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.478 -9.849 17.778 1.00 15.35 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 28.817 -8.365 17.835 1.00 14.45 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 29.829 -7.924 17.287 1.00 14.63 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.392 -10.140 16.742 1.00 15.70 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.110 -11.634 16.584 1.00 18.64 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.083 -11.952 15.513 1.00 22.19 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.126 -11.172 15.317 1.00 23.57 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.224 -13.012 14.867 1.00 25.52 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 27.965 -7.593 18.499 1.00 13.76 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.270 -6.192 18.711 1.00 13.12 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.564 -6.051 19.492 1.00 13.82 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.351 -5.145 19.223 1.00 13.28 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.132 -5.484 19.447 1.00 12.66 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 25.928 -5.252 18.553 1.00 11.71 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.148 -4.015 18.935 1.00 11.63 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.344 -3.492 20.051 1.00 11.43 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.338 -3.570 18.102 1.00 12.03 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 29.784 -6.946 20.457 1.00 14.36 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.003 -6.883 21.264 1.00 15.23 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.256 -7.123 20.465 1.00 15.53 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.273 -6.518 20.751 1.00 15.80 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.002 -7.896 22.385 1.00 15.49 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.300 -7.886 23.171 1.00 17.17 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.346 -8.979 24.218 1.00 19.42 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.527 -8.588 25.473 1.00 21.73 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.222 -10.164 23.901 1.00 20.55 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.172 -8.015 19.479 1.00 15.78 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.299 -8.293 18.594 1.00 16.48 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.616 -7.072 17.731 1.00 15.82 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.777 -6.682 17.584 1.00 16.65 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 32.994 -9.516 17.722 1.00 17.04 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.114 -9.933 16.788 1.00 20.06 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.718 -11.122 15.925 1.00 23.94 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.844 -11.490 14.969 1.00 26.72 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.511 -12.686 14.149 1.00 28.79 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.578 -6.443 17.191 1.00 15.40 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.776 -5.244 16.395 1.00 14.95 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.325 -4.120 17.253 1.00 15.13 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.220 -3.381 16.837 1.00 15.29 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.470 -4.797 15.732 1.00 14.58 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.630 -3.532 14.914 1.00 13.79 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.368 -3.188 14.132 1.00 12.11 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.510 -1.821 13.478 1.00 12.54 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.327 -1.436 12.663 1.00 13.31 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 32.781 -3.983 18.452 1.00 15.07 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.240 -2.932 19.336 1.00 15.51 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 34.713 -3.125 19.671 1.00 15.63 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.470 -2.169 19.757 1.00 15.20 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.405 -2.900 20.618 1.00 15.62 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 32.851 -1.527 21.707 1.00 18.32 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.122 -4.369 19.869 1.00 15.68 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.513 -4.648 20.199 1.00 16.48 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.446 -4.270 19.047 1.00 16.78 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.555 -3.779 19.273 1.00 16.54 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 36.679 -6.114 20.604 1.00 16.62 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.004 -6.446 21.929 1.00 17.86 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 35.838 -7.933 22.152 1.00 18.64 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 35.841 -8.717 21.207 1.00 19.62 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 35.698 -8.331 23.413 1.00 20.08 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 36.995 -4.497 17.812 1.00 16.93 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 37.755 -4.075 16.630 1.00 17.77 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 37.893 -2.555 16.622 1.00 17.10 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 38.967 -2.006 16.365 1.00 17.54 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.039 -4.494 15.348 1.00 18.10 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 36.995 -5.979 15.075 1.00 21.67 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.270 -6.283 13.779 1.00 25.82 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 35.007 -6.675 13.883 1.00 29.85 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.841 -6.158 12.694 1.00 27.32 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 36.788 -1.871 16.877 1.00 16.70 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 36.781 -0.423 16.908 1.00 16.08 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 37.745 0.068 17.975 1.00 16.79 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.515 1.000 17.752 1.00 16.88 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.360 0.045 17.214 1.00 15.74 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.151 1.521 17.285 1.00 14.62 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 35.965 2.507 16.797 1.00 14.55 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.013 2.186 17.849 1.00 14.43 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.413 3.745 17.049 1.00 14.74 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.215 3.571 17.692 1.00 14.50 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 32.847 1.740 18.488 1.00 13.87 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.293 4.516 18.139 1.00 14.31 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 31.931 2.677 18.927 1.00 13.91 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.159 4.047 18.756 1.00 14.32 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 37.695 -0.563 19.141 1.00 17.07 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.560 -0.175 20.247 1.00 18.19 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.028 -0.266 19.846 1.00 19.12 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 40.805 0.657 20.094 1.00 19.16 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.283 -1.042 21.482 1.00 18.08 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.130 -0.682 22.562 1.00 18.69 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.401 -1.383 19.228 1.00 19.95 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 41.781 -1.579 18.795 1.00 21.39 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.195 -0.493 17.806 1.00 21.34 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.256 0.092 17.939 1.00 21.93 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 41.941 -2.959 18.163 1.00 21.63 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.357 -3.263 17.658 1.00 25.15 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.727 -4.734 17.721 1.00 29.07 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.920 -5.593 18.072 1.00 31.92 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.926 -5.252 17.424 1.00 31.48 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.340 -0.239 16.825 1.00 21.39 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 41.646 0.749 15.803 1.00 21.68 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 41.684 2.174 16.346 1.00 21.34 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.395 3.030 15.811 1.00 21.23 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 40.645 0.633 14.658 1.00 22.21 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 40.728 -0.704 13.955 1.00 24.73 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.011 -0.860 13.163 1.00 27.84 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.309 -0.054 12.283 1.00 30.35 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 42.782 -1.896 13.478 1.00 29.19 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 40.920 2.423 17.406 1.00 20.74 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 40.826 3.750 17.997 1.00 20.75 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 41.982 4.019 18.950 1.00 20.88 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.065 5.096 19.538 1.00 21.28 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 39.510 3.900 18.764 1.00 20.25 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 39.585 3.224 20.010 1.00 19.25 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 42.864 3.037 19.106 1.00 21.38 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 43.998 3.169 20.014 1.00 21.91 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.535 3.290 21.453 1.00 22.37 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.149 3.992 22.257 1.00 22.80 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.458 2.578 21.775 1.00 22.27 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 41.825 2.617 23.103 1.00 22.47 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.106 3.913 23.434 1.00 21.58 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 40.739 4.108 24.587 1.00 21.91 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 42.822 2.375 24.238 1.00 22.98 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.592 1.088 24.150 1.00 25.91 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 42.714 -0.060 23.761 1.00 28.10 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 41.887 -0.518 24.549 1.00 30.78 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.888 -0.545 22.539 1.00 30.06 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 40.928 4.810 22.472 1.00 20.61 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.137 6.006 22.735 1.00 19.84 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 38.702 5.599 23.008 1.00 18.74 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 37.964 6.307 23.693 1.00 18.62 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.173 6.981 21.562 1.00 20.03 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.437 7.822 21.537 1.00 21.91 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.164 7.900 22.529 1.00 22.51 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.693 8.459 20.390 1.00 23.72 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.311 4.470 22.426 1.00 17.68 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.030 3.841 22.717 1.00 16.72 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.325 2.455 23.278 1.00 16.48 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.178 1.743 22.754 1.00 16.40 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.146 3.713 21.448 1.00 16.71 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 34.888 2.881 21.739 1.00 16.03 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.746 5.080 20.930 1.00 16.77 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.644 2.087 24.361 1.00 16.05 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 36.718 0.739 24.907 1.00 16.54 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.303 0.194 25.013 1.00 16.24 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.345 0.904 24.723 1.00 15.73 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.394 0.704 26.277 1.00 16.74 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 36.657 1.522 27.191 1.00 18.01 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 38.819 1.215 26.164 1.00 17.35 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.172 -1.061 25.416 1.00 16.38 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 33.899 -1.744 25.272 1.00 17.25 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.408 -2.375 26.556 1.00 17.02 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.144 -3.079 27.242 1.00 18.51 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.010 -2.819 24.194 1.00 17.12 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.568 -2.189 22.613 1.00 20.62 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.151 -2.109 26.874 1.00 15.72 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.429 -2.870 27.867 1.00 15.12 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.390 -3.630 27.071 1.00 14.78 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.010 -3.214 25.977 1.00 14.60 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 30.760 -1.946 28.873 1.00 15.66 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 29.901 -4.735 27.592 1.00 14.60 ? 373 THR A N 1 ATOM 248 C CA A THR A 1 32 ? 28.897 -5.477 26.860 0.50 14.62 ? 373 THR A CA 1 ATOM 249 C CA B THR A 1 32 ? 28.893 -5.473 26.860 0.50 14.57 ? 373 THR A CA 1 ATOM 250 C C . THR A 1 32 ? 27.809 -5.992 27.797 1.00 14.48 ? 373 THR A C 1 ATOM 251 O O . THR A 1 32 ? 28.079 -6.326 28.953 1.00 15.26 ? 373 THR A O 1 ATOM 252 C CB A THR A 1 32 ? 29.514 -6.655 26.084 0.50 14.81 ? 373 THR A CB 1 ATOM 253 C CB B THR A 1 32 ? 29.517 -6.618 26.032 0.50 14.75 ? 373 THR A CB 1 ATOM 254 O OG1 A THR A 1 32 ? 30.528 -6.180 25.183 0.50 15.16 ? 373 THR A OG1 1 ATOM 255 O OG1 B THR A 1 32 ? 28.517 -7.201 25.186 0.50 14.97 ? 373 THR A OG1 1 ATOM 256 C CG2 A THR A 1 32 ? 28.441 -7.357 25.292 0.50 14.92 ? 373 THR A CG2 1 ATOM 257 C CG2 B THR A 1 32 ? 30.091 -7.677 26.941 0.50 14.62 ? 373 THR A CG2 1 ATOM 258 N N . ALA A 1 33 ? 26.577 -6.034 27.300 1.00 13.50 ? 374 ALA A N 1 ATOM 259 C CA . ALA A 1 33 ? 25.437 -6.560 28.052 1.00 13.05 ? 374 ALA A CA 1 ATOM 260 C C . ALA A 1 33 ? 24.587 -7.397 27.107 1.00 12.93 ? 374 ALA A C 1 ATOM 261 O O . ALA A 1 33 ? 24.746 -7.318 25.886 1.00 12.81 ? 374 ALA A O 1 ATOM 262 C CB . ALA A 1 33 ? 24.613 -5.426 28.653 1.00 13.74 ? 374 ALA A CB 1 ATOM 263 N N . SER A 1 34 ? 23.658 -8.169 27.660 1.00 12.67 ? 375 SER A N 1 ATOM 264 C CA . SER A 1 34 ? 22.878 -9.091 26.842 1.00 12.73 ? 375 SER A CA 1 ATOM 265 C C . SER A 1 34 ? 21.710 -8.423 26.141 1.00 12.22 ? 375 SER A C 1 ATOM 266 O O . SER A 1 34 ? 21.207 -8.932 25.140 1.00 13.43 ? 375 SER A O 1 ATOM 267 C CB . SER A 1 34 ? 22.368 -10.265 27.675 1.00 13.00 ? 375 SER A CB 1 ATOM 268 O OG . SER A 1 34 ? 23.447 -11.106 28.020 1.00 16.93 ? 375 SER A OG 1 ATOM 269 N N . THR A 1 35 ? 21.269 -7.291 26.673 1.00 11.35 ? 376 THR A N 1 ATOM 270 C CA . THR A 1 35 ? 20.124 -6.595 26.109 1.00 11.23 ? 376 THR A CA 1 ATOM 271 C C . THR A 1 35 ? 20.368 -5.112 26.139 1.00 10.92 ? 376 THR A C 1 ATOM 272 O O . THR A 1 35 ? 21.226 -4.628 26.871 1.00 10.61 ? 376 THR A O 1 ATOM 273 C CB . THR A 1 35 ? 18.840 -6.863 26.900 1.00 11.22 ? 376 THR A CB 1 ATOM 274 O OG1 . THR A 1 35 ? 18.881 -6.167 28.159 1.00 12.49 ? 376 THR A OG1 1 ATOM 275 C CG2 . THR A 1 35 ? 18.648 -8.366 27.139 1.00 12.13 ? 376 THR A CG2 1 ATOM 276 N N . THR A 1 36 ? 19.605 -4.394 25.333 1.00 10.64 ? 377 THR A N 1 ATOM 277 C CA . THR A 1 36 ? 19.717 -2.951 25.299 1.00 10.45 ? 377 THR A CA 1 ATOM 278 C C . THR A 1 36 ? 19.366 -2.340 26.653 1.00 10.50 ? 377 THR A C 1 ATOM 279 O O . THR A 1 36 ? 20.064 -1.437 27.123 1.00 10.52 ? 377 THR A O 1 ATOM 280 C CB . THR A 1 36 ? 18.857 -2.357 24.185 1.00 10.65 ? 377 THR A CB 1 ATOM 281 O OG1 . THR A 1 36 ? 19.262 -2.947 22.948 1.00 10.83 ? 377 THR A OG1 1 ATOM 282 C CG2 . THR A 1 36 ? 19.080 -0.854 24.096 1.00 11.41 ? 377 THR A CG2 1 ATOM 283 N N . ASP A 1 37 ? 18.306 -2.825 27.295 1.00 11.02 ? 378 ASP A N 1 ATOM 284 C CA . ASP A 1 37 ? 17.983 -2.325 28.618 1.00 11.40 ? 378 ASP A CA 1 ATOM 285 C C . ASP A 1 37 ? 19.146 -2.499 29.585 1.00 10.95 ? 378 ASP A C 1 ATOM 286 O O . ASP A 1 37 ? 19.410 -1.621 30.397 1.00 11.51 ? 378 ASP A O 1 ATOM 287 C CB . ASP A 1 37 ? 16.746 -3.019 29.189 1.00 11.92 ? 378 ASP A CB 1 ATOM 288 C CG . ASP A 1 37 ? 15.448 -2.453 28.642 1.00 14.53 ? 378 ASP A CG 1 ATOM 289 O OD1 . ASP A 1 37 ? 15.490 -1.458 27.895 1.00 15.63 ? 378 ASP A OD1 1 ATOM 290 O OD2 . ASP A 1 37 ? 14.380 -3.012 28.977 1.00 17.83 ? 378 ASP A OD2 1 ATOM 291 N N . ASP A 1 38 ? 19.835 -3.637 29.515 1.00 10.69 ? 379 ASP A N 1 ATOM 292 C CA . ASP A 1 38 ? 20.982 -3.842 30.399 1.00 11.39 ? 379 ASP A CA 1 ATOM 293 C C . ASP A 1 38 ? 22.117 -2.866 30.091 1.00 11.11 ? 379 ASP A C 1 ATOM 294 O O . ASP A 1 38 ? 22.812 -2.419 31.003 1.00 10.40 ? 379 ASP A O 1 ATOM 295 C CB . ASP A 1 38 ? 21.495 -5.276 30.320 1.00 11.79 ? 379 ASP A CB 1 ATOM 296 C CG . ASP A 1 38 ? 20.616 -6.260 31.038 1.00 14.80 ? 379 ASP A CG 1 ATOM 297 O OD1 . ASP A 1 38 ? 19.633 -5.849 31.676 1.00 15.92 ? 379 ASP A OD1 1 ATOM 298 O OD2 . ASP A 1 38 ? 20.943 -7.461 30.962 1.00 18.05 ? 379 ASP A OD2 1 ATOM 299 N N . CYS A 1 39 ? 22.322 -2.543 28.815 1.00 10.44 ? 380 CYS A N 1 ATOM 300 C CA . CYS A 1 39 ? 23.309 -1.526 28.447 1.00 10.73 ? 380 CYS A CA 1 ATOM 301 C C . CYS A 1 39 ? 22.916 -0.170 29.006 1.00 10.29 ? 380 CYS A C 1 ATOM 302 O O . CYS A 1 39 ? 23.765 0.565 29.513 1.00 10.62 ? 380 CYS A O 1 ATOM 303 C CB . CYS A 1 39 ? 23.484 -1.439 26.932 1.00 11.21 ? 380 CYS A CB 1 ATOM 304 S SG . CYS A 1 39 ? 24.846 -2.454 26.286 1.00 11.93 ? 380 CYS A SG 1 ATOM 305 N N . ILE A 1 40 ? 21.628 0.151 28.930 1.00 10.38 ? 381 ILE A N 1 ATOM 306 C CA . ILE A 1 40 ? 21.154 1.409 29.482 1.00 10.55 ? 381 ILE A CA 1 ATOM 307 C C . ILE A 1 40 ? 21.481 1.456 30.971 1.00 10.24 ? 381 ILE A C 1 ATOM 308 O O . ILE A 1 40 ? 21.960 2.473 31.490 1.00 10.72 ? 381 ILE A O 1 ATOM 309 C CB . ILE A 1 40 ? 19.646 1.610 29.205 1.00 10.59 ? 381 ILE A CB 1 ATOM 310 C CG1 . ILE A 1 40 ? 19.427 1.852 27.704 1.00 10.98 ? 381 ILE A CG1 1 ATOM 311 C CG2 . ILE A 1 40 ? 19.070 2.751 30.064 1.00 11.80 ? 381 ILE A CG2 1 ATOM 312 C CD1 . ILE A 1 40 ? 17.977 1.817 27.271 1.00 11.69 ? 381 ILE A CD1 1 ATOM 313 N N . VAL A 1 41 ? 21.270 0.338 31.653 1.00 10.21 ? 382 VAL A N 1 ATOM 314 C CA . VAL A 1 41 ? 21.596 0.265 33.067 1.00 10.52 ? 382 VAL A CA 1 ATOM 315 C C . VAL A 1 41 ? 23.100 0.432 33.306 1.00 10.26 ? 382 VAL A C 1 ATOM 316 O O . VAL A 1 41 ? 23.492 1.132 34.231 1.00 10.31 ? 382 VAL A O 1 ATOM 317 C CB . VAL A 1 41 ? 21.036 -1.032 33.705 1.00 10.31 ? 382 VAL A CB 1 ATOM 318 C CG1 . VAL A 1 41 ? 21.653 -1.271 35.069 1.00 11.59 ? 382 VAL A CG1 1 ATOM 319 C CG2 . VAL A 1 41 ? 19.511 -0.947 33.815 1.00 11.57 ? 382 VAL A CG2 1 ATOM 320 N N . LEU A 1 42 ? 23.951 -0.179 32.482 1.00 10.20 ? 383 LEU A N 1 ATOM 321 C CA . LEU A 1 42 ? 25.385 0.064 32.652 1.00 10.23 ? 383 LEU A CA 1 ATOM 322 C C . LEU A 1 42 ? 25.716 1.547 32.546 1.00 10.24 ? 383 LEU A C 1 ATOM 323 O O . LEU A 1 42 ? 26.536 2.070 33.307 1.00 10.12 ? 383 LEU A O 1 ATOM 324 C CB . LEU A 1 42 ? 26.222 -0.735 31.654 1.00 10.50 ? 383 LEU A CB 1 ATOM 325 C CG . LEU A 1 42 ? 26.252 -2.255 31.850 1.00 10.46 ? 383 LEU A CG 1 ATOM 326 C CD1 . LEU A 1 42 ? 27.229 -2.867 30.872 1.00 12.44 ? 383 LEU A CD1 1 ATOM 327 C CD2 . LEU A 1 42 ? 26.648 -2.649 33.284 1.00 11.20 ? 383 LEU A CD2 1 ATOM 328 N N . VAL A 1 43 ? 25.083 2.230 31.606 1.00 10.51 ? 384 VAL A N 1 ATOM 329 C CA . VAL A 1 43 ? 25.341 3.658 31.450 1.00 11.11 ? 384 VAL A CA 1 ATOM 330 C C . VAL A 1 43 ? 24.829 4.430 32.671 1.00 11.36 ? 384 VAL A C 1 ATOM 331 O O . VAL A 1 43 ? 25.516 5.304 33.207 1.00 11.92 ? 384 VAL A O 1 ATOM 332 C CB . VAL A 1 43 ? 24.724 4.213 30.150 1.00 11.03 ? 384 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 43 ? 24.898 5.722 30.095 1.00 11.90 ? 384 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 43 ? 25.369 3.572 28.927 1.00 11.36 ? 384 VAL A CG2 1 ATOM 335 N N . LEU A 1 44 ? 23.620 4.103 33.126 1.00 11.44 ? 385 LEU A N 1 ATOM 336 C CA . LEU A 1 44 ? 23.080 4.739 34.330 1.00 12.33 ? 385 LEU A CA 1 ATOM 337 C C . LEU A 1 44 ? 24.006 4.553 35.525 1.00 12.24 ? 385 LEU A C 1 ATOM 338 O O . LEU A 1 44 ? 24.136 5.447 36.361 1.00 13.31 ? 385 LEU A O 1 ATOM 339 C CB . LEU A 1 44 ? 21.687 4.196 34.657 1.00 12.71 ? 385 LEU A CB 1 ATOM 340 C CG . LEU A 1 44 ? 20.619 4.563 33.633 1.00 13.43 ? 385 LEU A CG 1 ATOM 341 C CD1 . LEU A 1 44 ? 19.341 3.752 33.863 1.00 14.77 ? 385 LEU A CD1 1 ATOM 342 C CD2 . LEU A 1 44 ? 20.348 6.072 33.676 1.00 14.10 ? 385 LEU A CD2 1 ATOM 343 N N . LYS A 1 45 ? 24.658 3.398 35.609 1.00 12.44 ? 386 LYS A N 1 ATOM 344 C CA . LYS A 1 45 ? 25.559 3.126 36.723 1.00 12.06 ? 386 LYS A CA 1 ATOM 345 C C . LYS A 1 45 ? 26.907 3.788 36.549 1.00 12.10 ? 386 LYS A C 1 ATOM 346 O O . LYS A 1 45 ? 27.693 3.810 37.484 1.00 13.64 ? 386 LYS A O 1 ATOM 347 C CB . LYS A 1 45 ? 25.786 1.626 36.870 1.00 11.89 ? 386 LYS A CB 1 ATOM 348 C CG . LYS A 1 45 ? 24.566 0.876 37.357 1.00 12.34 ? 386 LYS A CG 1 ATOM 349 C CD . LYS A 1 45 ? 24.906 -0.538 37.806 1.00 12.58 ? 386 LYS A CD 1 ATOM 350 C CE . LYS A 1 45 ? 25.410 -1.434 36.660 1.00 11.98 ? 386 LYS A CE 1 ATOM 351 N NZ . LYS A 1 45 ? 25.944 -2.734 37.226 1.00 13.49 ? 386 LYS A NZ 1 ATOM 352 N N . GLY A 1 46 ? 27.174 4.300 35.359 1.00 12.06 ? 387 GLY A N 1 ATOM 353 C CA . GLY A 1 46 ? 28.468 4.892 35.056 1.00 12.28 ? 387 GLY A CA 1 ATOM 354 C C . GLY A 1 46 ? 29.489 3.852 34.650 1.00 12.31 ? 387 GLY A C 1 ATOM 355 O O . GLY A 1 46 ? 30.686 4.125 34.617 1.00 13.35 ? 387 GLY A O 1 ATOM 356 N N . GLU A 1 47 ? 29.016 2.653 34.325 1.00 11.93 ? 388 GLU A N 1 ATOM 357 C CA . GLU A 1 47 ? 29.917 1.554 33.964 1.00 12.01 ? 388 GLU A CA 1 ATOM 358 C C . GLU A 1 47 ? 30.096 1.449 32.456 1.00 12.59 ? 388 GLU A C 1 ATOM 359 O O . GLU A 1 47 ? 30.891 0.642 31.954 1.00 13.24 ? 388 GLU A O 1 ATOM 360 C CB . GLU A 1 47 ? 29.429 0.238 34.575 1.00 12.46 ? 388 GLU A CB 1 ATOM 361 C CG . GLU A 1 47 ? 29.561 0.249 36.082 1.00 11.85 ? 388 GLU A CG 1 ATOM 362 C CD . GLU A 1 47 ? 28.816 -0.888 36.748 1.00 13.23 ? 388 GLU A CD 1 ATOM 363 O OE1 . GLU A 1 47 ? 28.550 -1.916 36.088 1.00 12.53 ? 388 GLU A OE1 1 ATOM 364 O OE2 . GLU A 1 47 ? 28.455 -0.745 37.926 1.00 13.78 ? 388 GLU A OE2 1 ATOM 365 N N . ALA A 1 48 ? 29.343 2.273 31.734 1.00 11.84 ? 389 ALA A N 1 ATOM 366 C CA . ALA A 1 48 ? 29.565 2.506 30.313 1.00 11.85 ? 389 ALA A CA 1 ATOM 367 C C . ALA A 1 48 ? 29.197 3.958 30.084 1.00 11.24 ? 389 ALA A C 1 ATOM 368 O O . ALA A 1 48 ? 28.514 4.552 30.919 1.00 11.34 ? 389 ALA A O 1 ATOM 369 C CB . ALA A 1 48 ? 28.706 1.577 29.452 1.00 12.45 ? 389 ALA A CB 1 ATOM 370 N N . ASP A 1 49 ? 29.660 4.533 28.976 1.00 10.78 ? 390 ASP A N 1 ATOM 371 C CA . ASP A 1 49 ? 29.359 5.924 28.642 1.00 10.73 ? 390 ASP A CA 1 ATOM 372 C C . ASP A 1 49 ? 28.184 6.114 27.697 1.00 10.51 ? 390 ASP A C 1 ATOM 373 O O . ASP A 1 49 ? 27.399 7.053 27.846 1.00 11.18 ? 390 ASP A O 1 ATOM 374 C CB . ASP A 1 49 ? 30.570 6.585 27.991 1.00 11.09 ? 390 ASP A CB 1 ATOM 375 C CG . ASP A 1 49 ? 31.639 6.923 28.985 1.00 12.40 ? 390 ASP A CG 1 ATOM 376 O OD1 . ASP A 1 49 ? 31.284 7.342 30.108 1.00 13.93 ? 390 ASP A OD1 1 ATOM 377 O OD2 . ASP A 1 49 ? 32.823 6.779 28.624 1.00 14.36 ? 390 ASP A OD2 1 ATOM 378 N N . ALA A 1 50 ? 28.072 5.250 26.698 1.00 10.31 ? 391 ALA A N 1 ATOM 379 C CA . ALA A 1 50 ? 27.138 5.540 25.630 1.00 10.04 ? 391 ALA A CA 1 ATOM 380 C C . ALA A 1 50 ? 26.847 4.335 24.766 1.00 9.68 ? 391 ALA A C 1 ATOM 381 O O . ALA A 1 50 ? 27.606 3.360 24.740 1.00 10.07 ? 391 ALA A O 1 ATOM 382 C CB . ALA A 1 50 ? 27.683 6.673 24.769 1.00 10.55 ? 391 ALA A CB 1 ATOM 383 N N . LEU A 1 51 ? 25.719 4.419 24.066 1.00 9.48 ? 392 LEU A N 1 ATOM 384 C CA . LEU A 1 51 ? 25.406 3.502 22.982 1.00 9.21 ? 392 LEU A CA 1 ATOM 385 C C . LEU A 1 51 ? 24.374 4.176 22.094 1.00 9.76 ? 392 LEU A C 1 ATOM 386 O O . LEU A 1 51 ? 23.747 5.170 22.478 1.00 9.75 ? 392 LEU A O 1 ATOM 387 C CB . LEU A 1 51 ? 24.900 2.142 23.492 1.00 9.39 ? 392 LEU A CB 1 ATOM 388 C CG . LEU A 1 51 ? 23.494 2.043 24.089 1.00 9.37 ? 392 LEU A CG 1 ATOM 389 C CD1 . LEU A 1 51 ? 23.097 0.565 24.125 1.00 10.78 ? 392 LEU A CD1 1 ATOM 390 C CD2 . LEU A 1 51 ? 23.438 2.660 25.491 1.00 12.21 ? 392 LEU A CD2 1 ATOM 391 N N . ASN A 1 52 ? 24.218 3.633 20.900 1.00 10.31 ? 393 ASN A N 1 ATOM 392 C CA . ASN A 1 52 ? 23.256 4.116 19.932 1.00 11.21 ? 393 ASN A CA 1 ATOM 393 C C . ASN A 1 52 ? 21.943 3.361 20.121 1.00 11.57 ? 393 ASN A C 1 ATOM 394 O O . ASN A 1 52 ? 21.946 2.135 20.282 1.00 13.45 ? 393 ASN A O 1 ATOM 395 C CB . ASN A 1 52 ? 23.842 3.868 18.545 1.00 11.57 ? 393 ASN A CB 1 ATOM 396 C CG . ASN A 1 52 ? 23.042 4.488 17.436 1.00 12.51 ? 393 ASN A CG 1 ATOM 397 O OD1 . ASN A 1 52 ? 22.660 5.653 17.494 1.00 14.54 ? 393 ASN A OD1 1 ATOM 398 N ND2 . ASN A 1 52 ? 22.842 3.721 16.376 1.00 13.28 ? 393 ASN A ND2 1 ATOM 399 N N . LEU A 1 53 ? 20.829 4.085 20.117 1.00 11.40 ? 394 LEU A N 1 ATOM 400 C CA . LEU A 1 53 ? 19.536 3.518 20.502 1.00 11.34 ? 394 LEU A CA 1 ATOM 401 C C . LEU A 1 53 ? 18.429 3.825 19.525 1.00 10.88 ? 394 LEU A C 1 ATOM 402 O O . LEU A 1 53 ? 18.303 4.948 19.056 1.00 10.13 ? 394 LEU A O 1 ATOM 403 C CB . LEU A 1 53 ? 19.094 4.063 21.861 1.00 12.31 ? 394 LEU A CB 1 ATOM 404 C CG . LEU A 1 53 ? 19.902 3.703 23.095 1.00 11.77 ? 394 LEU A CG 1 ATOM 405 C CD1 . LEU A 1 53 ? 19.254 4.346 24.312 1.00 12.31 ? 394 LEU A CD1 1 ATOM 406 C CD2 . LEU A 1 53 ? 19.975 2.198 23.280 1.00 12.81 ? 394 LEU A CD2 1 ATOM 407 N N . ASP A 1 54 ? 17.583 2.831 19.282 1.00 10.68 ? 395 ASP A N 1 ATOM 408 C CA . ASP A 1 54 ? 16.287 3.066 18.667 1.00 10.04 ? 395 ASP A CA 1 ATOM 409 C C . ASP A 1 54 ? 15.457 4.025 19.540 1.00 9.86 ? 395 ASP A C 1 ATOM 410 O O . ASP A 1 54 ? 15.631 4.094 20.757 1.00 10.06 ? 395 ASP A O 1 ATOM 411 C CB . ASP A 1 54 ? 15.541 1.741 18.496 1.00 9.96 ? 395 ASP A CB 1 ATOM 412 C CG . ASP A 1 54 ? 14.081 1.942 18.167 1.00 9.64 ? 395 ASP A CG 1 ATOM 413 O OD1 . ASP A 1 54 ? 13.768 2.266 17.012 1.00 10.34 ? 395 ASP A OD1 1 ATOM 414 O OD2 . ASP A 1 54 ? 13.244 1.791 19.069 1.00 10.04 ? 395 ASP A OD2 1 ATOM 415 N N . GLY A 1 55 ? 14.541 4.752 18.912 1.00 10.10 ? 396 GLY A N 1 ATOM 416 C CA . GLY A 1 55 ? 13.733 5.739 19.600 1.00 10.12 ? 396 GLY A CA 1 ATOM 417 C C . GLY A 1 55 ? 12.945 5.251 20.813 1.00 10.00 ? 396 GLY A C 1 ATOM 418 O O . GLY A 1 55 ? 12.683 6.021 21.740 1.00 10.22 ? 396 GLY A O 1 ATOM 419 N N . GLY A 1 56 ? 12.497 4.013 20.812 1.00 10.33 ? 397 GLY A N 1 ATOM 420 C CA . GLY A 1 56 ? 11.766 3.512 21.958 1.00 10.40 ? 397 GLY A CA 1 ATOM 421 C C . GLY A 1 56 ? 12.735 3.347 23.102 1.00 10.83 ? 397 GLY A C 1 ATOM 422 O O . GLY A 1 56 ? 12.436 3.655 24.252 1.00 11.45 ? 397 GLY A O 1 ATOM 423 N N . TYR A 1 57 ? 13.896 2.845 22.791 1.00 11.11 ? 398 TYR A N 1 ATOM 424 C CA . TYR A 1 57 ? 14.910 2.709 23.823 1.00 11.72 ? 398 TYR A CA 1 ATOM 425 C C . TYR A 1 57 ? 15.330 4.081 24.327 1.00 11.78 ? 398 TYR A C 1 ATOM 426 O O . TYR A 1 57 ? 15.625 4.231 25.524 1.00 12.36 ? 398 TYR A O 1 ATOM 427 C CB . TYR A 1 57 ? 16.093 1.918 23.309 1.00 12.03 ? 398 TYR A CB 1 ATOM 428 C CG . TYR A 1 57 ? 15.833 0.453 23.042 1.00 12.46 ? 398 TYR A CG 1 ATOM 429 C CD1 . TYR A 1 57 ? 15.259 -0.396 23.980 1.00 14.44 ? 398 TYR A CD1 1 ATOM 430 C CD2 . TYR A 1 57 ? 16.225 -0.088 21.829 1.00 13.48 ? 398 TYR A CD2 1 ATOM 431 C CE1 . TYR A 1 57 ? 15.061 -1.743 23.687 1.00 14.52 ? 398 TYR A CE1 1 ATOM 432 C CE2 . TYR A 1 57 ? 16.045 -1.412 21.533 1.00 12.67 ? 398 TYR A CE2 1 ATOM 433 C CZ . TYR A 1 57 ? 15.456 -2.239 22.452 1.00 13.06 ? 398 TYR A CZ 1 ATOM 434 O OH . TYR A 1 57 ? 15.268 -3.569 22.151 1.00 15.27 ? 398 TYR A OH 1 ATOM 435 N N . ILE A 1 58 ? 15.353 5.076 23.439 1.00 11.72 ? 399 ILE A N 1 ATOM 436 C CA . ILE A 1 58 ? 15.662 6.440 23.860 1.00 11.63 ? 399 ILE A CA 1 ATOM 437 C C . ILE A 1 58 ? 14.643 6.900 24.892 1.00 11.69 ? 399 ILE A C 1 ATOM 438 O O . ILE A 1 58 ? 14.986 7.610 25.840 1.00 12.14 ? 399 ILE A O 1 ATOM 439 C CB . ILE A 1 58 ? 15.704 7.419 22.668 1.00 10.81 ? 399 ILE A CB 1 ATOM 440 C CG1 . ILE A 1 58 ? 16.890 7.078 21.761 1.00 11.97 ? 399 ILE A CG1 1 ATOM 441 C CG2 . ILE A 1 58 ? 15.755 8.861 23.158 1.00 11.88 ? 399 ILE A CG2 1 ATOM 442 C CD1 . ILE A 1 58 ? 16.994 7.916 20.514 1.00 11.89 ? 399 ILE A CD1 1 ATOM 443 N N . TYR A 1 59 ? 13.391 6.490 24.705 1.00 12.22 ? 400 TYR A N 1 ATOM 444 C CA . TYR A 1 59 ? 12.343 6.799 25.675 1.00 12.29 ? 400 TYR A CA 1 ATOM 445 C C . TYR A 1 59 ? 12.683 6.213 27.047 1.00 12.82 ? 400 TYR A C 1 ATOM 446 O O . TYR A 1 59 ? 12.676 6.926 28.047 1.00 12.61 ? 400 TYR A O 1 ATOM 447 C CB . TYR A 1 59 ? 10.988 6.291 25.167 1.00 12.54 ? 400 TYR A CB 1 ATOM 448 C CG . TYR A 1 59 ? 9.822 6.554 26.084 1.00 14.09 ? 400 TYR A CG 1 ATOM 449 C CD1 . TYR A 1 59 ? 9.051 7.692 25.934 1.00 16.25 ? 400 TYR A CD1 1 ATOM 450 C CD2 . TYR A 1 59 ? 9.485 5.655 27.083 1.00 15.80 ? 400 TYR A CD2 1 ATOM 451 C CE1 . TYR A 1 59 ? 7.971 7.935 26.765 1.00 17.29 ? 400 TYR A CE1 1 ATOM 452 C CE2 . TYR A 1 59 ? 8.412 5.892 27.922 1.00 17.87 ? 400 TYR A CE2 1 ATOM 453 C CZ . TYR A 1 59 ? 7.664 7.030 27.754 1.00 18.01 ? 400 TYR A CZ 1 ATOM 454 O OH . TYR A 1 59 ? 6.590 7.257 28.589 1.00 20.93 ? 400 TYR A OH 1 ATOM 455 N N . THR A 1 60 ? 12.988 4.922 27.087 1.00 13.24 ? 401 THR A N 1 ATOM 456 C CA . THR A 1 60 ? 13.405 4.274 28.326 1.00 13.75 ? 401 THR A CA 1 ATOM 457 C C . THR A 1 60 ? 14.606 4.987 28.937 1.00 13.24 ? 401 THR A C 1 ATOM 458 O O . THR A 1 60 ? 14.616 5.311 30.126 1.00 13.80 ? 401 THR A O 1 ATOM 459 C CB . THR A 1 60 ? 13.773 2.803 28.077 1.00 13.97 ? 401 THR A CB 1 ATOM 460 O OG1 . THR A 1 60 ? 12.642 2.118 27.536 1.00 16.64 ? 401 THR A OG1 1 ATOM 461 C CG2 . THR A 1 60 ? 14.211 2.124 29.365 1.00 15.19 ? 401 THR A CG2 1 ATOM 462 N N . ALA A 1 61 ? 15.627 5.227 28.120 1.00 12.87 ? 402 ALA A N 1 ATOM 463 C CA . ALA A 1 61 ? 16.849 5.851 28.598 1.00 12.73 ? 402 ALA A CA 1 ATOM 464 C C . ALA A 1 61 ? 16.582 7.268 29.091 1.00 12.92 ? 402 ALA A C 1 ATOM 465 O O . ALA A 1 61 ? 17.148 7.713 30.092 1.00 12.89 ? 402 ALA A O 1 ATOM 466 C CB . ALA A 1 61 ? 17.892 5.865 27.489 1.00 12.80 ? 402 ALA A CB 1 ATOM 467 N N . GLY A 1 62 ? 15.698 7.965 28.391 1.00 12.94 ? 403 GLY A N 1 ATOM 468 C CA . GLY A 1 62 ? 15.406 9.358 28.708 1.00 13.59 ? 403 GLY A CA 1 ATOM 469 C C . GLY A 1 62 ? 14.659 9.527 30.011 1.00 14.14 ? 403 GLY A C 1 ATOM 470 O O . GLY A 1 62 ? 14.891 10.495 30.750 1.00 13.80 ? 403 GLY A O 1 ATOM 471 N N . LYS A 1 63 ? 13.768 8.559 30.322 1.00 14.84 ? 404 LYS A N 1 ATOM 472 C CA . LYS A 1 63 ? 13.006 8.592 31.599 1.00 16.12 ? 404 LYS A CA 1 ATOM 473 C C . LYS A 1 63 ? 13.995 8.420 32.738 1.00 16.60 ? 404 LYS A C 1 ATOM 474 O O . LYS A 1 63 ? 13.734 8.814 33.882 1.00 17.17 ? 404 LYS A O 1 ATOM 475 C CB . LYS A 1 63 ? 11.969 7.451 31.672 1.00 16.89 ? 404 LYS A CB 1 ATOM 476 C CG . LYS A 1 63 ? 10.774 7.636 30.737 1.00 19.52 ? 404 LYS A CG 1 ATOM 477 C CD . LYS A 1 63 ? 9.868 8.770 31.167 1.00 22.98 ? 404 LYS A CD 1 ATOM 478 C CE . LYS A 1 63 ? 8.677 8.895 30.228 1.00 25.30 ? 404 LYS A CE 1 ATOM 479 N NZ . LYS A 1 63 ? 7.867 10.114 30.507 1.00 28.33 ? 404 LYS A NZ 1 ATOM 480 N N . CYS A 1 64 ? 15.102 7.789 32.441 1.00 16.34 ? 405 CYS A N 1 ATOM 481 C CA . CYS A 1 64 ? 16.120 7.476 33.435 1.00 16.65 ? 405 CYS A CA 1 ATOM 482 C C . CYS A 1 64 ? 17.180 8.557 33.503 1.00 15.84 ? 405 CYS A C 1 ATOM 483 O O . CYS A 1 64 ? 18.124 8.461 34.277 1.00 16.71 ? 405 CYS A O 1 ATOM 484 C CB . CYS A 1 64 ? 16.745 6.143 33.134 1.00 16.79 ? 405 CYS A CB 1 ATOM 485 S SG . CYS A 1 64 ? 15.619 4.725 33.333 1.00 19.33 ? 405 CYS A SG 1 ATOM 486 N N . GLY A 1 65 ? 17.052 9.594 32.687 1.00 15.43 ? 406 GLY A N 1 ATOM 487 C CA . GLY A 1 65 ? 17.957 10.725 32.775 1.00 15.02 ? 406 GLY A CA 1 ATOM 488 C C . GLY A 1 65 ? 19.009 10.836 31.696 1.00 14.67 ? 406 GLY A C 1 ATOM 489 O O . GLY A 1 65 ? 19.718 11.831 31.639 1.00 15.74 ? 406 GLY A O 1 ATOM 490 N N . LEU A 1 66 ? 19.119 9.837 30.830 1.00 13.39 ? 407 LEU A N 1 ATOM 491 C CA . LEU A 1 66 ? 20.113 9.923 29.770 1.00 13.21 ? 407 LEU A CA 1 ATOM 492 C C . LEU A 1 66 ? 19.627 10.855 28.672 1.00 12.60 ? 407 LEU A C 1 ATOM 493 O O . LEU A 1 66 ? 18.422 11.052 28.501 1.00 13.33 ? 407 LEU A O 1 ATOM 494 C CB . LEU A 1 66 ? 20.426 8.546 29.202 1.00 13.32 ? 407 LEU A CB 1 ATOM 495 C CG . LEU A 1 66 ? 20.901 7.534 30.244 1.00 13.30 ? 407 LEU A CG 1 ATOM 496 C CD1 . LEU A 1 66 ? 21.271 6.228 29.560 1.00 14.74 ? 407 LEU A CD1 1 ATOM 497 C CD2 . LEU A 1 66 ? 22.066 8.061 31.088 1.00 15.49 ? 407 LEU A CD2 1 ATOM 498 N N . VAL A 1 67 ? 20.573 11.421 27.931 1.00 12.44 ? 408 VAL A N 1 ATOM 499 C CA . VAL A 1 67 ? 20.256 12.445 26.936 1.00 12.59 ? 408 VAL A CA 1 ATOM 500 C C . VAL A 1 67 ? 20.770 12.087 25.548 1.00 12.47 ? 408 VAL A C 1 ATOM 501 O O . VAL A 1 67 ? 21.781 11.401 25.406 1.00 12.07 ? 408 VAL A O 1 ATOM 502 C CB . VAL A 1 67 ? 20.823 13.823 27.344 1.00 12.42 ? 408 VAL A CB 1 ATOM 503 C CG1 . VAL A 1 67 ? 20.331 14.185 28.724 1.00 13.65 ? 408 VAL A CG1 1 ATOM 504 C CG2 . VAL A 1 67 ? 22.353 13.829 27.286 1.00 13.47 ? 408 VAL A CG2 1 ATOM 505 N N . PRO A 1 68 ? 20.069 12.551 24.511 1.00 12.29 ? 409 PRO A N 1 ATOM 506 C CA . PRO A 1 68 ? 20.559 12.309 23.157 1.00 12.40 ? 409 PRO A CA 1 ATOM 507 C C . PRO A 1 68 ? 21.788 13.164 22.864 1.00 12.12 ? 409 PRO A C 1 ATOM 508 O O . PRO A 1 68 ? 21.866 14.317 23.307 1.00 12.42 ? 409 PRO A O 1 ATOM 509 C CB . PRO A 1 68 ? 19.386 12.719 22.265 1.00 12.87 ? 409 PRO A CB 1 ATOM 510 C CG . PRO A 1 68 ? 18.515 13.584 23.101 1.00 13.68 ? 409 PRO A CG 1 ATOM 511 C CD . PRO A 1 68 ? 18.830 13.348 24.547 1.00 12.88 ? 409 PRO A CD 1 ATOM 512 N N . VAL A 1 69 ? 22.724 12.602 22.107 1.00 12.00 ? 410 VAL A N 1 ATOM 513 C CA . VAL A 1 69 ? 24.024 13.232 21.855 1.00 12.45 ? 410 VAL A CA 1 ATOM 514 C C . VAL A 1 69 ? 24.260 13.546 20.371 1.00 12.57 ? 410 VAL A C 1 ATOM 515 O O . VAL A 1 69 ? 24.624 14.667 20.021 1.00 12.98 ? 410 VAL A O 1 ATOM 516 C CB . VAL A 1 69 ? 25.179 12.352 22.381 1.00 12.80 ? 410 VAL A CB 1 ATOM 517 C CG1 . VAL A 1 69 ? 26.506 13.028 22.149 1.00 14.05 ? 410 VAL A CG1 1 ATOM 518 C CG2 . VAL A 1 69 ? 25.001 12.068 23.860 1.00 12.62 ? 410 VAL A CG2 1 ATOM 519 N N . LEU A 1 70 ? 24.044 12.552 19.508 1.00 12.25 ? 411 LEU A N 1 ATOM 520 C CA . LEU A 1 70 ? 24.206 12.670 18.055 1.00 12.20 ? 411 LEU A CA 1 ATOM 521 C C . LEU A 1 70 ? 23.241 11.674 17.458 1.00 12.36 ? 411 LEU A C 1 ATOM 522 O O . LEU A 1 70 ? 22.957 10.653 18.083 1.00 12.33 ? 411 LEU A O 1 ATOM 523 C CB . LEU A 1 70 ? 25.621 12.283 17.599 1.00 12.75 ? 411 LEU A CB 1 ATOM 524 C CG . LEU A 1 70 ? 26.803 13.181 17.967 1.00 13.38 ? 411 LEU A CG 1 ATOM 525 C CD1 . LEU A 1 70 ? 28.102 12.485 17.616 1.00 13.69 ? 411 LEU A CD1 1 ATOM 526 C CD2 . LEU A 1 70 ? 26.702 14.534 17.267 1.00 14.62 ? 411 LEU A CD2 1 ATOM 527 N N . ALA A 1 71 ? 22.747 11.955 16.257 1.00 11.95 ? 412 ALA A N 1 ATOM 528 C CA . ALA A 1 71 ? 21.762 11.079 15.619 1.00 12.14 ? 412 ALA A CA 1 ATOM 529 C C . ALA A 1 71 ? 22.297 10.449 14.349 1.00 12.37 ? 412 ALA A C 1 ATOM 530 O O . ALA A 1 71 ? 23.054 11.073 13.608 1.00 12.85 ? 412 ALA A O 1 ATOM 531 C CB . ALA A 1 71 ? 20.479 11.843 15.304 1.00 12.52 ? 412 ALA A CB 1 ATOM 532 N N . GLU A 1 72 ? 21.878 9.221 14.074 1.00 12.27 ? 413 GLU A N 1 ATOM 533 C CA . GLU A 1 72 ? 22.166 8.625 12.775 1.00 12.72 ? 413 GLU A CA 1 ATOM 534 C C . GLU A 1 72 ? 21.584 9.479 11.664 1.00 13.75 ? 413 GLU A C 1 ATOM 535 O O . GLU A 1 72 ? 20.435 9.892 11.730 1.00 13.98 ? 413 GLU A O 1 ATOM 536 C CB . GLU A 1 72 ? 21.541 7.238 12.657 1.00 12.37 ? 413 GLU A CB 1 ATOM 537 C CG . GLU A 1 72 ? 22.251 6.156 13.430 1.00 11.99 ? 413 GLU A CG 1 ATOM 538 C CD . GLU A 1 72 ? 21.674 4.785 13.139 1.00 10.66 ? 413 GLU A CD 1 ATOM 539 O OE1 . GLU A 1 72 ? 20.721 4.694 12.337 1.00 11.57 ? 413 GLU A OE1 1 ATOM 540 O OE2 . GLU A 1 72 ? 22.183 3.806 13.706 1.00 11.06 ? 413 GLU A OE2 1 ATOM 541 N N . ASN A 1 73 ? 22.374 9.713 10.626 1.00 15.07 ? 414 ASN A N 1 ATOM 542 C CA . ASN A 1 73 ? 21.904 10.421 9.456 1.00 17.20 ? 414 ASN A CA 1 ATOM 543 C C . ASN A 1 73 ? 22.197 9.520 8.283 1.00 18.43 ? 414 ASN A C 1 ATOM 544 O O . ASN A 1 73 ? 23.344 9.215 8.025 1.00 18.51 ? 414 ASN A O 1 ATOM 545 C CB . ASN A 1 73 ? 22.683 11.721 9.295 1.00 17.62 ? 414 ASN A CB 1 ATOM 546 C CG . ASN A 1 73 ? 21.829 12.842 8.776 1.00 19.00 ? 414 ASN A CG 1 ATOM 547 O OD1 . ASN A 1 73 ? 20.655 12.644 8.468 1.00 20.71 ? 414 ASN A OD1 1 ATOM 548 N ND2 . ASN A 1 73 ? 22.407 14.040 8.686 1.00 19.59 ? 414 ASN A ND2 1 ATOM 549 N N . ARG A 1 74 ? 21.169 9.066 7.588 1.00 20.44 ? 415 ARG A N 1 ATOM 550 C CA . ARG A 1 74 ? 21.395 8.305 6.374 1.00 22.69 ? 415 ARG A CA 1 ATOM 551 C C . ARG A 1 74 ? 21.403 9.259 5.176 1.00 24.11 ? 415 ARG A C 1 ATOM 552 O O . ARG A 1 74 ? 21.069 10.436 5.292 1.00 24.54 ? 415 ARG A O 1 ATOM 553 C CB . ARG A 1 74 ? 20.303 7.262 6.209 1.00 22.74 ? 415 ARG A CB 1 ATOM 554 C CG . ARG A 1 74 ? 18.956 7.884 6.034 1.00 23.34 ? 415 ARG A CG 1 ATOM 555 C CD . ARG A 1 74 ? 17.862 6.843 6.039 1.00 24.72 ? 415 ARG A CD 1 ATOM 556 N NE . ARG A 1 74 ? 16.571 7.467 5.779 1.00 26.10 ? 415 ARG A NE 1 ATOM 557 C CZ . ARG A 1 74 ? 15.871 8.128 6.690 1.00 26.04 ? 415 ARG A CZ 1 ATOM 558 N NH1 . ARG A 1 74 ? 16.334 8.251 7.930 1.00 26.66 ? 415 ARG A NH1 1 ATOM 559 N NH2 . ARG A 1 74 ? 14.706 8.666 6.360 1.00 27.27 ? 415 ARG A NH2 1 ATOM 560 N N . LYS A 1 75 ? 21.810 8.748 4.041 1.00 26.14 ? 416 LYS A N 1 ATOM 561 C CA . LYS A 1 75 ? 21.727 9.529 2.822 1.00 28.12 ? 416 LYS A CA 1 ATOM 562 C C . LYS A 1 75 ? 20.399 10.181 2.612 1.00 29.31 ? 416 LYS A C 1 ATOM 563 O O . LYS A 1 75 ? 19.397 9.583 2.824 1.00 29.32 ? 416 LYS A O 1 ATOM 564 C CB . LYS A 1 75 ? 22.124 8.693 1.608 1.00 28.28 ? 416 LYS A CB 1 ATOM 565 C CG . LYS A 1 75 ? 23.551 8.248 1.654 1.00 29.78 ? 416 LYS A CG 1 ATOM 566 C CD . LYS A 1 75 ? 23.883 7.343 0.457 1.00 31.92 ? 416 LYS A CD 1 ATOM 567 C CE . LYS A 1 75 ? 23.959 5.848 0.802 1.00 33.07 ? 416 LYS A CE 1 ATOM 568 N NZ . LYS A 1 75 ? 24.664 5.085 -0.315 1.00 34.17 ? 416 LYS A NZ 1 ATOM 569 N N . SER A 1 76 ? 20.390 11.443 2.233 1.00 30.96 ? 417 SER A N 1 ATOM 570 C CA . SER A 1 76 ? 19.121 12.036 2.001 1.00 32.75 ? 417 SER A CA 1 ATOM 571 C C . SER A 1 76 ? 18.606 11.880 0.619 1.00 33.65 ? 417 SER A C 1 ATOM 572 O O . SER A 1 76 ? 19.327 11.739 -0.334 1.00 33.88 ? 417 SER A O 1 ATOM 573 C CB . SER A 1 76 ? 19.035 13.459 2.446 1.00 32.77 ? 417 SER A CB 1 ATOM 574 O OG . SER A 1 76 ? 19.854 14.259 1.685 1.00 33.63 ? 417 SER A OG 1 ATOM 575 N N . SER A 1 77 ? 17.300 11.978 0.608 1.00 35.04 ? 418 SER A N 1 ATOM 576 C CA . SER A 1 77 ? 16.493 11.897 -0.540 1.00 36.20 ? 418 SER A CA 1 ATOM 577 C C . SER A 1 77 ? 16.704 13.085 -1.460 1.00 36.78 ? 418 SER A C 1 ATOM 578 O O . SER A 1 77 ? 16.503 12.999 -2.679 1.00 37.05 ? 418 SER A O 1 ATOM 579 C CB . SER A 1 77 ? 15.020 11.750 -0.116 1.00 36.24 ? 418 SER A CB 1 ATOM 580 O OG . SER A 1 77 ? 14.910 11.360 1.246 1.00 36.92 ? 418 SER A OG 1 ATOM 581 N N . LYS A 1 78 ? 17.096 14.173 -0.835 1.00 37.54 ? 419 LYS A N 1 ATOM 582 C CA . LYS A 1 78 ? 17.350 15.325 -1.632 1.00 38.22 ? 419 LYS A CA 1 ATOM 583 C C . LYS A 1 78 ? 18.719 15.894 -1.376 1.00 38.49 ? 419 LYS A C 1 ATOM 584 O O . LYS A 1 78 ? 19.132 16.084 -0.230 1.00 38.69 ? 419 LYS A O 1 ATOM 585 C CB . LYS A 1 78 ? 16.337 16.448 -1.346 1.00 38.26 ? 419 LYS A CB 1 ATOM 586 C CG . LYS A 1 78 ? 15.915 16.576 0.099 1.00 38.85 ? 419 LYS A CG 1 ATOM 587 C CD . LYS A 1 78 ? 16.464 17.848 0.711 1.00 39.63 ? 419 LYS A CD 1 ATOM 588 C CE . LYS A 1 78 ? 15.349 18.716 1.291 1.00 39.95 ? 419 LYS A CE 1 ATOM 589 N NZ . LYS A 1 78 ? 15.651 20.181 1.197 1.00 40.57 ? 419 LYS A NZ 1 ATOM 590 N N . HIS A 1 79 ? 19.359 16.353 -2.563 1.00 38.83 ? 420 HIS A N 1 ATOM 591 C CA . HIS A 1 79 ? 20.651 17.157 -2.588 1.00 39.01 ? 420 HIS A CA 1 ATOM 592 C C . HIS A 1 79 ? 20.544 18.045 -1.410 1.00 38.82 ? 420 HIS A C 1 ATOM 593 O O . HIS A 1 79 ? 19.544 18.712 -1.173 1.00 38.99 ? 420 HIS A O 1 ATOM 594 C CB . HIS A 1 79 ? 20.853 18.365 -3.628 1.00 39.16 ? 420 HIS A CB 1 ATOM 595 C CG . HIS A 1 79 ? 22.118 19.405 -3.527 1.00 39.89 ? 420 HIS A CG 1 ATOM 596 N ND1 . HIS A 1 79 ? 22.077 20.809 -3.566 1.00 40.24 ? 420 HIS A ND1 1 ATOM 597 C CD2 . HIS A 1 79 ? 23.457 19.135 -3.392 1.00 40.42 ? 420 HIS A CD2 1 ATOM 598 C CE1 . HIS A 1 79 ? 23.309 21.313 -3.494 1.00 40.57 ? 420 HIS A CE1 1 ATOM 599 N NE2 . HIS A 1 79 ? 24.144 20.332 -3.395 1.00 40.60 ? 420 HIS A NE2 1 ATOM 600 N N . SER A 1 80 ? 21.593 18.051 -0.671 1.00 38.56 ? 421 SER A N 1 ATOM 601 C CA . SER A 1 80 ? 21.722 19.110 0.285 1.00 38.25 ? 421 SER A CA 1 ATOM 602 C C . SER A 1 80 ? 23.139 19.612 0.181 1.00 37.88 ? 421 SER A C 1 ATOM 603 O O . SER A 1 80 ? 24.066 18.825 -0.002 1.00 37.97 ? 421 SER A O 1 ATOM 604 C CB . SER A 1 80 ? 21.433 18.607 1.694 1.00 38.36 ? 421 SER A CB 1 ATOM 605 O OG . SER A 1 80 ? 22.006 19.482 2.650 1.00 38.61 ? 421 SER A OG 1 ATOM 606 N N . SER A 1 81 ? 23.289 20.927 0.235 1.00 37.38 ? 422 SER A N 1 ATOM 607 C CA . SER A 1 81 ? 24.598 21.544 0.267 1.00 36.81 ? 422 SER A CA 1 ATOM 608 C C . SER A 1 81 ? 25.286 21.286 1.603 1.00 36.14 ? 422 SER A C 1 ATOM 609 O O . SER A 1 81 ? 26.498 21.413 1.727 1.00 36.29 ? 422 SER A O 1 ATOM 610 C CB . SER A 1 81 ? 24.453 23.044 0.046 1.00 36.84 ? 422 SER A CB 1 ATOM 611 O OG . SER A 1 81 ? 23.224 23.505 0.586 1.00 37.63 ? 422 SER A OG 1 ATOM 612 N N . LEU A 1 82 ? 24.522 20.917 2.619 1.00 35.19 ? 423 LEU A N 1 ATOM 613 C CA . LEU A 1 82 ? 25.116 20.783 3.936 1.00 34.15 ? 423 LEU A CA 1 ATOM 614 C C . LEU A 1 82 ? 25.963 19.528 4.104 1.00 33.12 ? 423 LEU A C 1 ATOM 615 O O . LEU A 1 82 ? 25.714 18.493 3.483 1.00 33.07 ? 423 LEU A O 1 ATOM 616 C CB . LEU A 1 82 ? 24.033 20.812 5.015 1.00 34.44 ? 423 LEU A CB 1 ATOM 617 C CG . LEU A 1 82 ? 23.124 22.045 5.054 1.00 35.02 ? 423 LEU A CG 1 ATOM 618 C CD1 . LEU A 1 82 ? 21.896 21.775 5.908 1.00 35.41 ? 423 LEU A CD1 1 ATOM 619 C CD2 . LEU A 1 82 ? 23.873 23.272 5.560 1.00 36.01 ? 423 LEU A CD2 1 ATOM 620 N N . ASP A 1 83 ? 26.967 19.639 4.964 1.00 31.80 ? 424 ASP A N 1 ATOM 621 C CA . ASP A 1 83 ? 27.771 18.500 5.367 1.00 30.40 ? 424 ASP A CA 1 ATOM 622 C C . ASP A 1 83 ? 26.859 17.549 6.129 1.00 28.91 ? 424 ASP A C 1 ATOM 623 O O . ASP A 1 83 ? 25.946 17.992 6.818 1.00 28.23 ? 424 ASP A O 1 ATOM 624 C CB . ASP A 1 83 ? 28.910 18.971 6.276 1.00 30.91 ? 424 ASP A CB 1 ATOM 625 C CG . ASP A 1 83 ? 29.969 17.904 6.501 1.00 32.45 ? 424 ASP A CG 1 ATOM 626 O OD1 . ASP A 1 83 ? 30.743 17.608 5.563 1.00 35.00 ? 424 ASP A OD1 1 ATOM 627 O OD2 . ASP A 1 83 ? 30.040 17.371 7.629 1.00 34.32 ? 424 ASP A OD2 1 ATOM 628 N N . CYS A 1 84 ? 27.105 16.248 6.008 1.00 27.28 ? 425 CYS A N 1 ATOM 629 C CA . CYS A 1 84 ? 26.264 15.250 6.671 1.00 25.76 ? 425 CYS A CA 1 ATOM 630 C C . CYS A 1 84 ? 26.087 15.526 8.163 1.00 25.31 ? 425 CYS A C 1 ATOM 631 O O . CYS A 1 84 ? 24.991 15.386 8.704 1.00 24.80 ? 425 CYS A O 1 ATOM 632 C CB . CYS A 1 84 ? 26.822 13.838 6.454 1.00 25.26 ? 425 CYS A CB 1 ATOM 633 S SG . CYS A 1 84 ? 25.868 12.522 7.278 1.00 23.74 ? 425 CYS A SG 1 ATOM 634 N N . VAL A 1 85 ? 27.167 15.922 8.827 1.00 25.07 ? 426 VAL A N 1 ATOM 635 C CA . VAL A 1 85 ? 27.120 16.167 10.261 1.00 25.11 ? 426 VAL A CA 1 ATOM 636 C C . VAL A 1 85 ? 26.217 17.349 10.613 1.00 25.30 ? 426 VAL A C 1 ATOM 637 O O . VAL A 1 85 ? 25.737 17.454 11.739 1.00 24.68 ? 426 VAL A O 1 ATOM 638 C CB . VAL A 1 85 ? 28.539 16.373 10.828 1.00 25.11 ? 426 VAL A CB 1 ATOM 639 C CG1 . VAL A 1 85 ? 28.490 16.714 12.305 1.00 26.04 ? 426 VAL A CG1 1 ATOM 640 C CG2 . VAL A 1 85 ? 29.369 15.127 10.597 1.00 24.91 ? 426 VAL A CG2 1 ATOM 641 N N . LEU A 1 86 ? 25.972 18.227 9.642 1.00 25.86 ? 427 LEU A N 1 ATOM 642 C CA . LEU A 1 86 ? 25.163 19.422 9.871 1.00 26.92 ? 427 LEU A CA 1 ATOM 643 C C . LEU A 1 86 ? 23.818 19.379 9.152 1.00 27.62 ? 427 LEU A C 1 ATOM 644 O O . LEU A 1 86 ? 23.023 20.312 9.249 1.00 27.86 ? 427 LEU A O 1 ATOM 645 C CB . LEU A 1 86 ? 25.932 20.675 9.449 1.00 26.79 ? 427 LEU A CB 1 ATOM 646 C CG . LEU A 1 86 ? 27.280 20.846 10.141 1.00 27.08 ? 427 LEU A CG 1 ATOM 647 C CD1 . LEU A 1 86 ? 27.933 22.148 9.711 1.00 27.54 ? 427 LEU A CD1 1 ATOM 648 C CD2 . LEU A 1 86 ? 27.090 20.802 11.645 1.00 27.98 ? 427 LEU A CD2 1 ATOM 649 N N . ARG A 1 87 ? 23.561 18.263 8.432 1.00 28.55 ? 428 ARG A N 1 ATOM 650 C CA . ARG A 1 87 ? 22.300 18.087 7.690 1.00 29.47 ? 428 ARG A CA 1 ATOM 651 C C . ARG A 1 87 ? 21.217 17.659 8.677 1.00 29.72 ? 428 ARG A C 1 ATOM 652 O O . ARG A 1 87 ? 21.415 16.708 9.423 1.00 29.99 ? 428 ARG A O 1 ATOM 653 C CB . ARG A 1 87 ? 22.490 17.023 6.553 1.00 29.59 ? 428 ARG A CB 1 ATOM 654 C CG . ARG A 1 87 ? 21.260 16.611 5.734 1.00 31.03 ? 428 ARG A CG 1 ATOM 655 C CD . ARG A 1 87 ? 21.464 15.242 5.032 1.00 32.84 ? 428 ARG A CD 1 ATOM 656 N NE . ARG A 1 87 ? 22.531 15.323 4.028 1.00 34.28 ? 428 ARG A NE 1 ATOM 657 C CZ . ARG A 1 87 ? 23.619 14.525 4.032 1.00 34.43 ? 428 ARG A CZ 1 ATOM 658 N NH1 . ARG A 1 87 ? 23.749 13.582 4.940 1.00 35.46 ? 428 ARG A NH1 1 ATOM 659 N NH2 . ARG A 1 87 ? 24.575 14.699 3.123 1.00 35.09 ? 428 ARG A NH2 1 ATOM 660 N N . PRO A 1 88 ? 20.073 18.359 8.715 1.00 29.93 ? 429 PRO A N 1 ATOM 661 C CA . PRO A 1 88 ? 18.972 17.929 9.571 1.00 29.81 ? 429 PRO A CA 1 ATOM 662 C C . PRO A 1 88 ? 18.547 16.512 9.194 1.00 29.55 ? 429 PRO A C 1 ATOM 663 O O . PRO A 1 88 ? 18.528 16.168 8.015 1.00 29.61 ? 429 PRO A O 1 ATOM 664 C CB . PRO A 1 88 ? 17.860 18.932 9.246 1.00 29.86 ? 429 PRO A CB 1 ATOM 665 C CG . PRO A 1 88 ? 18.579 20.140 8.731 1.00 30.01 ? 429 PRO A CG 1 ATOM 666 C CD . PRO A 1 88 ? 19.771 19.611 7.999 1.00 30.01 ? 429 PRO A CD 1 ATOM 667 N N . THR A 1 89 ? 18.255 15.684 10.185 1.00 29.54 ? 430 THR A N 1 ATOM 668 C CA . THR A 1 89 ? 17.853 14.326 9.885 1.00 29.22 ? 430 THR A CA 1 ATOM 669 C C . THR A 1 89 ? 16.442 14.291 9.296 1.00 28.54 ? 430 THR A C 1 ATOM 670 O O . THR A 1 89 ? 15.674 15.244 9.436 1.00 28.73 ? 430 THR A O 1 ATOM 671 C CB . THR A 1 89 ? 17.954 13.450 11.136 1.00 29.51 ? 430 THR A CB 1 ATOM 672 O OG1 . THR A 1 89 ? 17.012 13.901 12.120 1.00 30.78 ? 430 THR A OG1 1 ATOM 673 C CG2 . THR A 1 89 ? 19.353 13.562 11.706 1.00 29.98 ? 430 THR A CG2 1 ATOM 674 N N . GLU A 1 90 ? 16.124 13.202 8.606 1.00 27.33 ? 431 GLU A N 1 ATOM 675 C CA . GLU A 1 90 ? 14.773 12.950 8.158 1.00 26.41 ? 431 GLU A CA 1 ATOM 676 C C . GLU A 1 90 ? 14.418 11.685 8.895 1.00 24.96 ? 431 GLU A C 1 ATOM 677 O O . GLU A 1 90 ? 15.211 10.772 8.971 1.00 25.39 ? 431 GLU A O 1 ATOM 678 C CB . GLU A 1 90 ? 14.739 12.667 6.657 1.00 26.77 ? 431 GLU A CB 1 ATOM 679 C CG . GLU A 1 90 ? 15.094 13.841 5.742 1.00 29.13 ? 431 GLU A CG 1 ATOM 680 C CD . GLU A 1 90 ? 15.165 13.425 4.281 1.00 31.38 ? 431 GLU A CD 1 ATOM 681 O OE1 . GLU A 1 90 ? 15.874 12.439 3.974 1.00 32.78 ? 431 GLU A OE1 1 ATOM 682 O OE2 . GLU A 1 90 ? 14.514 14.082 3.438 1.00 33.46 ? 431 GLU A OE2 1 ATOM 683 N N . GLY A 1 91 ? 13.245 11.590 9.469 1.00 23.30 ? 432 GLY A N 1 ATOM 684 C CA . GLY A 1 91 ? 12.997 10.350 10.161 1.00 20.35 ? 432 GLY A CA 1 ATOM 685 C C . GLY A 1 91 ? 12.839 9.212 9.175 1.00 18.68 ? 432 GLY A C 1 ATOM 686 O O . GLY A 1 91 ? 12.704 9.428 7.964 1.00 19.72 ? 432 GLY A O 1 ATOM 687 N N . TYR A 1 92 ? 12.829 7.987 9.683 1.00 15.06 ? 433 TYR A N 1 ATOM 688 C CA . TYR A 1 92 ? 12.630 6.845 8.812 1.00 13.02 ? 433 TYR A CA 1 ATOM 689 C C . TYR A 1 92 ? 11.177 6.414 8.828 1.00 12.19 ? 433 TYR A C 1 ATOM 690 O O . TYR A 1 92 ? 10.414 6.799 9.706 1.00 12.42 ? 433 TYR A O 1 ATOM 691 C CB . TYR A 1 92 ? 13.576 5.694 9.171 1.00 12.31 ? 433 TYR A CB 1 ATOM 692 C CG . TYR A 1 92 ? 13.526 5.160 10.596 1.00 10.98 ? 433 TYR A CG 1 ATOM 693 C CD1 . TYR A 1 92 ? 12.727 4.078 10.918 1.00 10.40 ? 433 TYR A CD1 1 ATOM 694 C CD2 . TYR A 1 92 ? 14.339 5.699 11.591 1.00 11.58 ? 433 TYR A CD2 1 ATOM 695 C CE1 . TYR A 1 92 ? 12.713 3.552 12.206 1.00 8.83 ? 433 TYR A CE1 1 ATOM 696 C CE2 . TYR A 1 92 ? 14.325 5.184 12.892 1.00 10.53 ? 433 TYR A CE2 1 ATOM 697 C CZ . TYR A 1 92 ? 13.502 4.112 13.188 1.00 9.03 ? 433 TYR A CZ 1 ATOM 698 O OH . TYR A 1 92 ? 13.489 3.588 14.461 1.00 9.64 ? 433 TYR A OH 1 ATOM 699 N N . LEU A 1 93 ? 10.791 5.649 7.840 1.00 12.05 ? 434 LEU A N 1 ATOM 700 C CA . LEU A 1 93 ? 9.393 5.241 7.693 1.00 12.09 ? 434 LEU A CA 1 ATOM 701 C C . LEU A 1 93 ? 9.119 3.847 8.254 1.00 11.72 ? 434 LEU A C 1 ATOM 702 O O . LEU A 1 93 ? 9.632 2.844 7.750 1.00 12.20 ? 434 LEU A O 1 ATOM 703 C CB . LEU A 1 93 ? 9.016 5.304 6.223 1.00 12.30 ? 434 LEU A CB 1 ATOM 704 C CG . LEU A 1 93 ? 9.113 6.704 5.638 1.00 13.58 ? 434 LEU A CG 1 ATOM 705 C CD1 . LEU A 1 93 ? 9.115 6.648 4.123 1.00 15.18 ? 434 LEU A CD1 1 ATOM 706 C CD2 . LEU A 1 93 ? 7.972 7.584 6.132 1.00 14.46 ? 434 LEU A CD2 1 ATOM 707 N N . ALA A 1 94 ? 8.315 3.760 9.301 1.00 11.58 ? 435 ALA A N 1 ATOM 708 C CA . ALA A 1 94 ? 7.922 2.488 9.890 1.00 11.80 ? 435 ALA A CA 1 ATOM 709 C C . ALA A 1 94 ? 6.871 1.857 8.964 1.00 12.12 ? 435 ALA A C 1 ATOM 710 O O . ALA A 1 94 ? 5.909 2.519 8.603 1.00 12.59 ? 435 ALA A O 1 ATOM 711 C CB . ALA A 1 94 ? 7.373 2.661 11.309 1.00 11.54 ? 435 ALA A CB 1 ATOM 712 N N . VAL A 1 95 ? 7.017 0.610 8.563 1.00 11.56 ? 436 VAL A N 1 ATOM 713 C CA . VAL A 1 95 ? 6.062 0.006 7.640 1.00 11.71 ? 436 VAL A CA 1 ATOM 714 C C . VAL A 1 95 ? 5.647 -1.406 8.044 1.00 11.36 ? 436 VAL A C 1 ATOM 715 O O . VAL A 1 95 ? 6.325 -2.062 8.843 1.00 11.88 ? 436 VAL A O 1 ATOM 716 C CB . VAL A 1 95 ? 6.638 -0.043 6.224 1.00 11.53 ? 436 VAL A CB 1 ATOM 717 C CG1 . VAL A 1 95 ? 7.012 1.357 5.747 1.00 12.25 ? 436 VAL A CG1 1 ATOM 718 C CG2 . VAL A 1 95 ? 7.831 -0.978 6.159 1.00 12.52 ? 436 VAL A CG2 1 ATOM 719 N N . ALA A 1 96 ? 4.553 -1.850 7.499 1.00 11.34 ? 437 ALA A N 1 ATOM 720 C CA . ALA A 1 96 ? 4.089 -3.198 7.737 1.00 11.05 ? 437 ALA A CA 1 ATOM 721 C C . ALA A 1 96 ? 4.220 -3.873 6.385 1.00 11.79 ? 437 ALA A C 1 ATOM 722 O O . ALA A 1 96 ? 3.541 -3.514 5.434 1.00 11.99 ? 437 ALA A O 1 ATOM 723 C CB . ALA A 1 96 ? 2.646 -3.254 8.234 1.00 11.81 ? 437 ALA A CB 1 ATOM 724 N N . VAL A 1 97 ? 5.096 -4.857 6.298 1.00 11.41 ? 438 VAL A N 1 ATOM 725 C CA . VAL A 1 97 ? 5.359 -5.548 5.064 1.00 11.99 ? 438 VAL A CA 1 ATOM 726 C C . VAL A 1 97 ? 4.842 -6.970 5.048 1.00 11.70 ? 438 VAL A C 1 ATOM 727 O O . VAL A 1 97 ? 4.930 -7.691 6.038 1.00 11.55 ? 438 VAL A O 1 ATOM 728 C CB . VAL A 1 97 ? 6.880 -5.574 4.842 1.00 12.07 ? 438 VAL A CB 1 ATOM 729 C CG1 . VAL A 1 97 ? 7.216 -5.884 3.387 1.00 12.57 ? 438 VAL A CG1 1 ATOM 730 C CG2 . VAL A 1 97 ? 7.502 -4.240 5.235 1.00 13.90 ? 438 VAL A CG2 1 ATOM 731 N N . VAL A 1 98 ? 4.290 -7.358 3.906 1.00 11.99 ? 439 VAL A N 1 ATOM 732 C CA . VAL A 1 98 ? 3.787 -8.709 3.708 1.00 12.34 ? 439 VAL A CA 1 ATOM 733 C C . VAL A 1 98 ? 4.257 -9.219 2.356 1.00 12.67 ? 439 VAL A C 1 ATOM 734 O O . VAL A 1 98 ? 4.806 -8.472 1.553 1.00 12.95 ? 439 VAL A O 1 ATOM 735 C CB . VAL A 1 98 ? 2.242 -8.753 3.720 1.00 12.33 ? 439 VAL A CB 1 ATOM 736 C CG1 . VAL A 1 98 ? 1.689 -8.262 5.042 1.00 12.29 ? 439 VAL A CG1 1 ATOM 737 C CG2 . VAL A 1 98 ? 1.664 -7.958 2.541 1.00 13.24 ? 439 VAL A CG2 1 ATOM 738 N N . LYS A 1 99 ? 4.017 -10.499 2.098 1.00 13.33 ? 440 LYS A N 1 ATOM 739 C CA . LYS A 1 99 ? 4.274 -11.046 0.776 1.00 14.18 ? 440 LYS A CA 1 ATOM 740 C C . LYS A 1 99 ? 3.135 -10.704 -0.168 1.00 14.49 ? 440 LYS A C 1 ATOM 741 O O . LYS A 1 99 ? 1.970 -10.768 0.211 1.00 14.37 ? 440 LYS A O 1 ATOM 742 C CB . LYS A 1 99 ? 4.416 -12.566 0.844 1.00 14.18 ? 440 LYS A CB 1 ATOM 743 C CG . LYS A 1 99 ? 5.672 -13.054 1.552 1.00 15.00 ? 440 LYS A CG 1 ATOM 744 C CD . LYS A 1 99 ? 6.921 -12.712 0.754 1.00 15.80 ? 440 LYS A CD 1 ATOM 745 C CE . LYS A 1 99 ? 8.179 -13.303 1.379 1.00 16.46 ? 440 LYS A CE 1 ATOM 746 N NZ . LYS A 1 99 ? 8.196 -14.781 1.235 1.00 17.39 ? 440 LYS A NZ 1 ATOM 747 N N . LYS A 1 100 ? 3.480 -10.331 -1.395 1.00 15.21 ? 441 LYS A N 1 ATOM 748 C CA . LYS A 1 100 ? 2.477 -10.097 -2.422 1.00 16.27 ? 441 LYS A CA 1 ATOM 749 C C . LYS A 1 100 ? 1.619 -11.348 -2.563 1.00 16.28 ? 441 LYS A C 1 ATOM 750 O O . LYS A 1 100 ? 0.393 -11.267 -2.686 1.00 16.78 ? 441 LYS A O 1 ATOM 751 C CB . LYS A 1 100 ? 3.156 -9.748 -3.745 1.00 16.43 ? 441 LYS A CB 1 ATOM 752 C CG . LYS A 1 100 ? 2.183 -9.569 -4.904 1.00 19.07 ? 441 LYS A CG 1 ATOM 753 C CD . LYS A 1 100 ? 2.875 -9.010 -6.139 1.00 21.99 ? 441 LYS A CD 1 ATOM 754 C CE . LYS A 1 100 ? 3.572 -10.082 -6.962 1.00 23.89 ? 441 LYS A CE 1 ATOM 755 N NZ . LYS A 1 100 ? 4.278 -9.480 -8.135 1.00 26.75 ? 441 LYS A NZ 1 ATOM 756 N N . ALA A 1 101 ? 2.264 -12.507 -2.491 1.00 16.65 ? 442 ALA A N 1 ATOM 757 C CA . ALA A 1 101 ? 1.574 -13.785 -2.679 1.00 16.97 ? 442 ALA A CA 1 ATOM 758 C C . ALA A 1 101 ? 0.517 -14.053 -1.604 1.00 17.13 ? 442 ALA A C 1 ATOM 759 O O . ALA A 1 101 ? -0.405 -14.844 -1.799 1.00 17.14 ? 442 ALA A O 1 ATOM 760 C CB . ALA A 1 101 ? 2.578 -14.922 -2.730 1.00 17.31 ? 442 ALA A CB 1 ATOM 761 N N . ASN A 1 102 ? 0.660 -13.405 -0.456 1.00 16.93 ? 443 ASN A N 1 ATOM 762 C CA . ASN A 1 102 ? -0.317 -13.530 0.608 1.00 17.35 ? 443 ASN A CA 1 ATOM 763 C C . ASN A 1 102 ? -1.478 -12.585 0.306 1.00 17.50 ? 443 ASN A C 1 ATOM 764 O O . ASN A 1 102 ? -1.636 -11.550 0.944 1.00 17.28 ? 443 ASN A O 1 ATOM 765 C CB . ASN A 1 102 ? 0.350 -13.189 1.943 1.00 17.64 ? 443 ASN A CB 1 ATOM 766 C CG . ASN A 1 102 ? -0.373 -13.768 3.133 1.00 18.54 ? 443 ASN A CG 1 ATOM 767 O OD1 . ASN A 1 102 ? -1.532 -14.176 3.043 1.00 20.78 ? 443 ASN A OD1 1 ATOM 768 N ND2 . ASN A 1 102 ? 0.311 -13.804 4.272 1.00 18.58 ? 443 ASN A ND2 1 ATOM 769 N N . GLU A 1 103 ? -2.281 -12.941 -0.689 1.00 17.63 ? 444 GLU A N 1 ATOM 770 C CA . GLU A 1 103 ? -3.281 -12.020 -1.222 1.00 18.45 ? 444 GLU A CA 1 ATOM 771 C C . GLU A 1 103 ? -4.412 -11.800 -0.226 1.00 19.03 ? 444 GLU A C 1 ATOM 772 O O . GLU A 1 103 ? -4.737 -12.676 0.562 1.00 19.83 ? 444 GLU A O 1 ATOM 773 C CB . GLU A 1 103 ? -3.822 -12.547 -2.561 1.00 18.13 ? 444 GLU A CB 1 ATOM 774 C CG . GLU A 1 103 ? -2.743 -12.747 -3.627 1.00 17.81 ? 444 GLU A CG 1 ATOM 775 C CD . GLU A 1 103 ? -3.251 -13.470 -4.875 1.00 17.71 ? 444 GLU A CD 1 ATOM 776 O OE1 . GLU A 1 103 ? -2.415 -14.027 -5.621 1.00 16.73 ? 444 GLU A OE1 1 ATOM 777 O OE2 . GLU A 1 103 ? -4.484 -13.489 -5.093 1.00 22.41 ? 444 GLU A OE2 1 ATOM 778 N N . GLY A 1 104 ? -5.009 -10.620 -0.233 1.00 19.98 ? 445 GLY A N 1 ATOM 779 C CA . GLY A 1 104 ? -6.108 -10.381 0.695 1.00 20.50 ? 445 GLY A CA 1 ATOM 780 C C . GLY A 1 104 ? -5.719 -10.081 2.140 1.00 20.43 ? 445 GLY A C 1 ATOM 781 O O . GLY A 1 104 ? -6.575 -9.721 2.954 1.00 21.43 ? 445 GLY A O 1 ATOM 782 N N . LEU A 1 105 ? -4.443 -10.238 2.485 1.00 19.89 ? 446 LEU A N 1 ATOM 783 C CA . LEU A 1 105 ? -3.989 -9.758 3.785 1.00 18.59 ? 446 LEU A CA 1 ATOM 784 C C . LEU A 1 105 ? -3.857 -8.236 3.748 1.00 18.13 ? 446 LEU A C 1 ATOM 785 O O . LEU A 1 105 ? -3.158 -7.682 2.901 1.00 17.81 ? 446 LEU A O 1 ATOM 786 C CB . LEU A 1 105 ? -2.655 -10.398 4.182 1.00 18.49 ? 446 LEU A CB 1 ATOM 787 C CG . LEU A 1 105 ? -2.131 -9.966 5.555 1.00 18.30 ? 446 LEU A CG 1 ATOM 788 C CD1 . LEU A 1 105 ? -3.176 -10.222 6.656 1.00 19.11 ? 446 LEU A CD1 1 ATOM 789 C CD2 . LEU A 1 105 ? -0.788 -10.633 5.879 1.00 18.29 ? 446 LEU A CD2 1 ATOM 790 N N . THR A 1 106 ? -4.539 -7.565 4.664 1.00 17.59 ? 447 THR A N 1 ATOM 791 C CA . THR A 1 106 ? -4.436 -6.123 4.776 1.00 17.64 ? 447 THR A CA 1 ATOM 792 C C . THR A 1 106 ? -4.292 -5.758 6.241 1.00 17.28 ? 447 THR A C 1 ATOM 793 O O . THR A 1 106 ? -4.375 -6.617 7.117 1.00 16.49 ? 447 THR A O 1 ATOM 794 C CB . THR A 1 106 ? -5.689 -5.408 4.222 1.00 17.63 ? 447 THR A CB 1 ATOM 795 O OG1 . THR A 1 106 ? -6.775 -5.569 5.139 1.00 18.87 ? 447 THR A OG1 1 ATOM 796 C CG2 . THR A 1 106 ? -6.078 -5.973 2.869 1.00 18.71 ? 447 THR A CG2 1 ATOM 797 N N . TRP A 1 107 ? -4.094 -4.476 6.508 1.00 17.58 ? 448 TRP A N 1 ATOM 798 C CA . TRP A 1 107 ? -4.013 -4.009 7.876 1.00 18.14 ? 448 TRP A CA 1 ATOM 799 C C . TRP A 1 107 ? -5.217 -4.502 8.671 1.00 18.47 ? 448 TRP A C 1 ATOM 800 O O . TRP A 1 107 ? -5.100 -4.853 9.841 1.00 19.10 ? 448 TRP A O 1 ATOM 801 C CB . TRP A 1 107 ? -3.955 -2.481 7.922 1.00 18.08 ? 448 TRP A CB 1 ATOM 802 C CG . TRP A 1 107 ? -3.983 -1.955 9.308 1.00 18.36 ? 448 TRP A CG 1 ATOM 803 C CD1 . TRP A 1 107 ? -5.070 -1.469 9.975 1.00 18.85 ? 448 TRP A CD1 1 ATOM 804 C CD2 . TRP A 1 107 ? -2.885 -1.896 10.230 1.00 17.84 ? 448 TRP A CD2 1 ATOM 805 N NE1 . TRP A 1 107 ? -4.717 -1.100 11.249 1.00 18.74 ? 448 TRP A NE1 1 ATOM 806 C CE2 . TRP A 1 107 ? -3.380 -1.345 11.429 1.00 18.12 ? 448 TRP A CE2 1 ATOM 807 C CE3 . TRP A 1 107 ? -1.528 -2.239 10.152 1.00 17.93 ? 448 TRP A CE3 1 ATOM 808 C CZ2 . TRP A 1 107 ? -2.575 -1.139 12.545 1.00 18.09 ? 448 TRP A CZ2 1 ATOM 809 C CZ3 . TRP A 1 107 ? -0.729 -2.032 11.263 1.00 17.96 ? 448 TRP A CZ3 1 ATOM 810 C CH2 . TRP A 1 107 ? -1.257 -1.489 12.444 1.00 17.58 ? 448 TRP A CH2 1 ATOM 811 N N . ASN A 1 108 ? -6.374 -4.531 8.019 1.00 19.26 ? 449 ASN A N 1 ATOM 812 C CA . ASN A 1 108 ? -7.614 -4.877 8.699 1.00 19.74 ? 449 ASN A CA 1 ATOM 813 C C . ASN A 1 108 ? -7.870 -6.367 8.897 1.00 19.78 ? 449 ASN A C 1 ATOM 814 O O . ASN A 1 108 ? -8.851 -6.749 9.539 1.00 20.50 ? 449 ASN A O 1 ATOM 815 C CB . ASN A 1 108 ? -8.789 -4.192 8.004 1.00 20.01 ? 449 ASN A CB 1 ATOM 816 C CG . ASN A 1 108 ? -8.693 -2.692 8.092 1.00 20.56 ? 449 ASN A CG 1 ATOM 817 O OD1 . ASN A 1 108 ? -8.514 -2.139 9.179 1.00 22.68 ? 449 ASN A OD1 1 ATOM 818 N ND2 . ASN A 1 108 ? -8.785 -2.023 6.954 1.00 22.64 ? 449 ASN A ND2 1 ATOM 819 N N . SER A 1 109 ? -6.986 -7.212 8.373 1.00 19.45 ? 450 SER A N 1 ATOM 820 C CA . SER A 1 109 ? -7.112 -8.650 8.583 1.00 19.22 ? 450 SER A CA 1 ATOM 821 C C . SER A 1 109 ? -5.892 -9.245 9.290 1.00 18.98 ? 450 SER A C 1 ATOM 822 O O . SER A 1 109 ? -5.622 -10.438 9.185 1.00 19.15 ? 450 SER A O 1 ATOM 823 C CB . SER A 1 109 ? -7.408 -9.387 7.270 1.00 19.54 ? 450 SER A CB 1 ATOM 824 O OG . SER A 1 109 ? -6.332 -9.298 6.352 1.00 20.42 ? 450 SER A OG 1 ATOM 825 N N . LEU A 1 110 ? -5.175 -8.407 10.030 1.00 18.47 ? 451 LEU A N 1 ATOM 826 C CA . LEU A 1 110 ? -3.981 -8.855 10.752 1.00 18.40 ? 451 LEU A CA 1 ATOM 827 C C . LEU A 1 110 ? -4.279 -9.775 11.940 1.00 18.40 ? 451 LEU A C 1 ATOM 828 O O . LEU A 1 110 ? -3.446 -10.589 12.326 1.00 18.17 ? 451 LEU A O 1 ATOM 829 C CB . LEU A 1 110 ? -3.155 -7.652 11.214 1.00 18.37 ? 451 LEU A CB 1 ATOM 830 C CG . LEU A 1 110 ? -2.334 -6.968 10.122 1.00 18.37 ? 451 LEU A CG 1 ATOM 831 C CD1 . LEU A 1 110 ? -1.709 -5.692 10.653 1.00 18.16 ? 451 LEU A CD1 1 ATOM 832 C CD2 . LEU A 1 110 ? -1.265 -7.913 9.585 1.00 19.32 ? 451 LEU A CD2 1 ATOM 833 N N . LYS A 1 111 ? -5.459 -9.637 12.533 1.00 18.67 ? 452 LYS A N 1 ATOM 834 C CA . LYS A 1 111 ? -5.809 -10.452 13.684 1.00 18.87 ? 452 LYS A CA 1 ATOM 835 C C . LYS A 1 111 ? -5.599 -11.933 13.394 1.00 18.59 ? 452 LYS A C 1 ATOM 836 O O . LYS A 1 111 ? -5.968 -12.425 12.336 1.00 18.63 ? 452 LYS A O 1 ATOM 837 C CB . LYS A 1 111 ? -7.262 -10.204 14.098 1.00 19.32 ? 452 LYS A CB 1 ATOM 838 C CG . LYS A 1 111 ? -7.651 -10.897 15.396 1.00 21.66 ? 452 LYS A CG 1 ATOM 839 C CD . LYS A 1 111 ? -8.648 -10.056 16.187 1.00 25.74 ? 452 LYS A CD 1 ATOM 840 C CE . LYS A 1 111 ? -10.080 -10.228 15.693 1.00 28.02 ? 452 LYS A CE 1 ATOM 841 N NZ . LYS A 1 111 ? -10.848 -11.223 16.507 1.00 29.67 ? 452 LYS A NZ 1 ATOM 842 N N . ASP A 1 112 ? -4.991 -12.632 14.346 1.00 18.62 ? 453 ASP A N 1 ATOM 843 C CA . ASP A 1 112 ? -4.746 -14.069 14.233 1.00 18.50 ? 453 ASP A CA 1 ATOM 844 C C . ASP A 1 112 ? -3.684 -14.472 13.211 1.00 17.63 ? 453 ASP A C 1 ATOM 845 O O . ASP A 1 112 ? -3.497 -15.656 12.937 1.00 17.84 ? 453 ASP A O 1 ATOM 846 C CB . ASP A 1 112 ? -6.052 -14.831 13.958 1.00 19.38 ? 453 ASP A CB 1 ATOM 847 C CG . ASP A 1 112 ? -7.036 -14.743 15.107 1.00 21.62 ? 453 ASP A CG 1 ATOM 848 O OD1 . ASP A 1 112 ? -6.619 -14.863 16.279 1.00 25.39 ? 453 ASP A OD1 1 ATOM 849 O OD2 . ASP A 1 112 ? -8.243 -14.566 14.828 1.00 25.49 ? 453 ASP A OD2 1 ATOM 850 N N . LYS A 1 113 ? -2.979 -13.500 12.649 1.00 16.63 ? 454 LYS A N 1 ATOM 851 C CA . LYS A 1 113 ? -1.910 -13.824 11.722 1.00 15.61 ? 454 LYS A CA 1 ATOM 852 C C . LYS A 1 113 ? -0.592 -13.935 12.479 1.00 15.08 ? 454 LYS A C 1 ATOM 853 O O . LYS A 1 113 ? -0.547 -13.717 13.686 1.00 14.89 ? 454 LYS A O 1 ATOM 854 C CB . LYS A 1 113 ? -1.812 -12.765 10.627 1.00 15.61 ? 454 LYS A CB 1 ATOM 855 C CG . LYS A 1 113 ? -3.083 -12.602 9.792 1.00 16.86 ? 454 LYS A CG 1 ATOM 856 C CD . LYS A 1 113 ? -3.503 -13.901 9.109 1.00 18.67 ? 454 LYS A CD 1 ATOM 857 C CE . LYS A 1 113 ? -4.770 -13.714 8.262 1.00 20.52 ? 454 LYS A CE 1 ATOM 858 N NZ . LYS A 1 113 ? -5.937 -13.218 9.056 1.00 22.30 ? 454 LYS A NZ 1 ATOM 859 N N . LYS A 1 114 ? 0.470 -14.275 11.762 1.00 14.38 ? 455 LYS A N 1 ATOM 860 C CA . LYS A 1 114 ? 1.786 -14.445 12.369 1.00 14.09 ? 455 LYS A CA 1 ATOM 861 C C . LYS A 1 114 ? 2.622 -13.208 12.106 1.00 13.29 ? 455 LYS A C 1 ATOM 862 O O . LYS A 1 114 ? 2.684 -12.737 10.982 1.00 12.56 ? 455 LYS A O 1 ATOM 863 C CB . LYS A 1 114 ? 2.485 -15.675 11.787 1.00 14.43 ? 455 LYS A CB 1 ATOM 864 C CG . LYS A 1 114 ? 1.725 -16.965 12.073 1.00 16.27 ? 455 LYS A CG 1 ATOM 865 C CD . LYS A 1 114 ? 2.361 -18.164 11.396 1.00 18.99 ? 455 LYS A CD 1 ATOM 866 C CE . LYS A 1 114 ? 2.239 -18.087 9.881 1.00 22.01 ? 455 LYS A CE 1 ATOM 867 N NZ . LYS A 1 114 ? 2.587 -19.380 9.220 1.00 24.79 ? 455 LYS A NZ 1 ATOM 868 N N . SER A 1 115 ? 3.269 -12.686 13.144 1.00 12.22 ? 456 SER A N 1 ATOM 869 C CA . SER A 1 115 ? 3.971 -11.407 13.013 1.00 11.72 ? 456 SER A CA 1 ATOM 870 C C . SER A 1 115 ? 5.450 -11.495 13.363 1.00 11.32 ? 456 SER A C 1 ATOM 871 O O . SER A 1 115 ? 5.857 -12.290 14.210 1.00 11.34 ? 456 SER A O 1 ATOM 872 C CB . SER A 1 115 ? 3.317 -10.335 13.882 1.00 11.82 ? 456 SER A CB 1 ATOM 873 O OG . SER A 1 115 ? 3.394 -10.664 15.252 1.00 11.43 ? 456 SER A OG 1 ATOM 874 N N . CYS A 1 116 ? 6.239 -10.639 12.721 1.00 10.92 ? 457 CYS A N 1 ATOM 875 C CA . CYS A 1 116 ? 7.676 -10.556 12.964 1.00 10.52 ? 457 CYS A CA 1 ATOM 876 C C . CYS A 1 116 ? 7.981 -9.130 13.377 1.00 10.12 ? 457 CYS A C 1 ATOM 877 O O . CYS A 1 116 ? 7.705 -8.200 12.625 1.00 10.63 ? 457 CYS A O 1 ATOM 878 C CB . CYS A 1 116 ? 8.464 -10.866 11.693 1.00 10.86 ? 457 CYS A CB 1 ATOM 879 S SG . CYS A 1 116 ? 7.961 -12.382 10.836 1.00 12.69 ? 457 CYS A SG 1 ATOM 880 N N . HIS A 1 117 ? 8.570 -8.971 14.557 1.00 9.62 ? 458 HIS A N 1 ATOM 881 C CA . HIS A 1 117 ? 8.881 -7.664 15.127 1.00 9.96 ? 458 HIS A CA 1 ATOM 882 C C . HIS A 1 117 ? 10.378 -7.541 15.363 1.00 10.11 ? 458 HIS A C 1 ATOM 883 O O . HIS A 1 117 ? 11.036 -8.510 15.724 1.00 10.29 ? 458 HIS A O 1 ATOM 884 C CB . HIS A 1 117 ? 8.176 -7.502 16.475 1.00 9.94 ? 458 HIS A CB 1 ATOM 885 C CG . HIS A 1 117 ? 6.704 -7.758 16.430 1.00 10.30 ? 458 HIS A CG 1 ATOM 886 N ND1 . HIS A 1 117 ? 5.772 -6.742 16.458 1.00 11.34 ? 458 HIS A ND1 1 ATOM 887 C CD2 . HIS A 1 117 ? 6.004 -8.914 16.363 1.00 11.21 ? 458 HIS A CD2 1 ATOM 888 C CE1 . HIS A 1 117 ? 4.557 -7.266 16.411 1.00 10.65 ? 458 HIS A CE1 1 ATOM 889 N NE2 . HIS A 1 117 ? 4.672 -8.581 16.355 1.00 11.00 ? 458 HIS A NE2 1 ATOM 890 N N . THR A 1 118 ? 10.916 -6.339 15.204 1.00 9.87 ? 459 THR A N 1 ATOM 891 C CA . THR A 1 118 ? 12.338 -6.159 15.473 1.00 10.07 ? 459 THR A CA 1 ATOM 892 C C . THR A 1 118 ? 12.675 -6.590 16.912 1.00 10.56 ? 459 THR A C 1 ATOM 893 O O . THR A 1 118 ? 13.571 -7.417 17.129 1.00 11.09 ? 459 THR A O 1 ATOM 894 C CB . THR A 1 118 ? 12.769 -4.715 15.215 1.00 9.93 ? 459 THR A CB 1 ATOM 895 O OG1 . THR A 1 118 ? 12.027 -3.839 16.068 1.00 9.35 ? 459 THR A OG1 1 ATOM 896 C CG2 . THR A 1 118 ? 12.510 -4.320 13.770 1.00 10.68 ? 459 THR A CG2 1 ATOM 897 N N . ALA A 1 119 ? 11.974 -6.001 17.887 1.00 10.41 ? 460 ALA A N 1 ATOM 898 C CA . ALA A 1 119 ? 12.048 -6.379 19.303 1.00 10.34 ? 460 ALA A CA 1 ATOM 899 C C . ALA A 1 119 ? 10.955 -5.617 20.012 1.00 10.84 ? 460 ALA A C 1 ATOM 900 O O . ALA A 1 119 ? 10.505 -4.567 19.533 1.00 11.24 ? 460 ALA A O 1 ATOM 901 C CB . ALA A 1 119 ? 13.419 -6.020 19.946 1.00 10.40 ? 460 ALA A CB 1 ATOM 902 N N . VAL A 1 120 ? 10.543 -6.135 21.162 1.00 10.88 ? 461 VAL A N 1 ATOM 903 C CA . VAL A 1 120 ? 9.671 -5.378 22.038 1.00 11.62 ? 461 VAL A CA 1 ATOM 904 C C . VAL A 1 120 ? 10.345 -4.052 22.379 1.00 11.29 ? 461 VAL A C 1 ATOM 905 O O . VAL A 1 120 ? 11.566 -3.988 22.526 1.00 11.15 ? 461 VAL A O 1 ATOM 906 C CB . VAL A 1 120 ? 9.362 -6.150 23.335 1.00 11.88 ? 461 VAL A CB 1 ATOM 907 C CG1 . VAL A 1 120 ? 8.596 -5.264 24.302 1.00 15.03 ? 461 VAL A CG1 1 ATOM 908 C CG2 . VAL A 1 120 ? 8.579 -7.424 23.032 1.00 12.92 ? 461 VAL A CG2 1 ATOM 909 N N . ASP A 1 121 ? 9.544 -2.995 22.457 1.00 11.49 ? 462 ASP A N 1 ATOM 910 C CA . ASP A 1 121 ? 9.992 -1.658 22.853 1.00 11.81 ? 462 ASP A CA 1 ATOM 911 C C . ASP A 1 121 ? 10.648 -0.836 21.757 1.00 11.39 ? 462 ASP A C 1 ATOM 912 O O . ASP A 1 121 ? 10.970 0.328 21.985 1.00 12.04 ? 462 ASP A O 1 ATOM 913 C CB . ASP A 1 121 ? 10.952 -1.759 24.020 1.00 11.93 ? 462 ASP A CB 1 ATOM 914 C CG . ASP A 1 121 ? 10.186 -1.805 25.324 1.00 14.72 ? 462 ASP A CG 1 ATOM 915 O OD1 . ASP A 1 121 ? 8.994 -1.455 25.332 1.00 17.22 ? 462 ASP A OD1 1 ATOM 916 O OD2 . ASP A 1 121 ? 10.802 -2.183 26.344 1.00 16.61 ? 462 ASP A OD2 1 ATOM 917 N N . ARG A 1 122 ? 10.845 -1.415 20.579 1.00 10.58 ? 463 ARG A N 1 ATOM 918 C CA . ARG A 1 122 ? 11.447 -0.662 19.486 1.00 10.29 ? 463 ARG A CA 1 ATOM 919 C C . ARG A 1 122 ? 10.373 0.061 18.679 1.00 9.86 ? 463 ARG A C 1 ATOM 920 O O . ARG A 1 122 ? 9.204 -0.328 18.695 1.00 10.40 ? 463 ARG A O 1 ATOM 921 C CB . ARG A 1 122 ? 12.303 -1.567 18.600 1.00 10.20 ? 463 ARG A CB 1 ATOM 922 C CG . ARG A 1 122 ? 13.609 -1.968 19.303 1.00 10.40 ? 463 ARG A CG 1 ATOM 923 C CD . ARG A 1 122 ? 14.505 -2.863 18.447 1.00 11.73 ? 463 ARG A CD 1 ATOM 924 N NE . ARG A 1 122 ? 14.888 -2.259 17.174 1.00 12.58 ? 463 ARG A NE 1 ATOM 925 C CZ . ARG A 1 122 ? 15.899 -2.671 16.411 1.00 13.34 ? 463 ARG A CZ 1 ATOM 926 N NH1 . ARG A 1 122 ? 16.687 -3.678 16.790 1.00 14.19 ? 463 ARG A NH1 1 ATOM 927 N NH2 . ARG A 1 122 ? 16.128 -2.066 15.257 1.00 13.13 ? 463 ARG A NH2 1 ATOM 928 N N . THR A 1 123 ? 10.762 1.118 17.980 1.00 9.72 ? 464 THR A N 1 ATOM 929 C CA . THR A 1 123 ? 9.801 2.002 17.317 1.00 10.01 ? 464 THR A CA 1 ATOM 930 C C . THR A 1 123 ? 8.973 1.338 16.221 1.00 10.10 ? 464 THR A C 1 ATOM 931 O O . THR A 1 123 ? 7.773 1.177 16.371 1.00 10.49 ? 464 THR A O 1 ATOM 932 C CB . THR A 1 123 ? 10.500 3.238 16.740 1.00 9.74 ? 464 THR A CB 1 ATOM 933 O OG1 . THR A 1 123 ? 11.160 3.928 17.811 1.00 10.24 ? 464 THR A OG1 1 ATOM 934 C CG2 . THR A 1 123 ? 9.477 4.173 16.095 1.00 11.24 ? 464 THR A CG2 1 ATOM 935 N N . ALA A 1 124 ? 9.610 0.977 15.119 1.00 9.84 ? 465 ALA A N 1 ATOM 936 C CA . ALA A 1 124 ? 8.886 0.405 13.990 1.00 9.91 ? 465 ALA A CA 1 ATOM 937 C C . ALA A 1 124 ? 8.421 -1.002 14.299 1.00 10.37 ? 465 ALA A C 1 ATOM 938 O O . ALA A 1 124 ? 7.371 -1.434 13.838 1.00 10.18 ? 465 ALA A O 1 ATOM 939 C CB . ALA A 1 124 ? 9.757 0.403 12.751 1.00 10.46 ? 465 ALA A CB 1 ATOM 940 N N . GLY A 1 125 ? 9.211 -1.729 15.071 1.00 9.89 ? 466 GLY A N 1 ATOM 941 C CA . GLY A 1 125 ? 8.881 -3.124 15.313 1.00 10.37 ? 466 GLY A CA 1 ATOM 942 C C . GLY A 1 125 ? 7.813 -3.355 16.357 1.00 10.78 ? 466 GLY A C 1 ATOM 943 O O . GLY A 1 125 ? 7.235 -4.433 16.406 1.00 11.19 ? 466 GLY A O 1 ATOM 944 N N . TRP A 1 126 ? 7.550 -2.356 17.192 1.00 10.85 ? 467 TRP A N 1 ATOM 945 C CA . TRP A 1 126 ? 6.682 -2.586 18.336 1.00 11.38 ? 467 TRP A CA 1 ATOM 946 C C . TRP A 1 126 ? 5.801 -1.401 18.704 1.00 11.28 ? 467 TRP A C 1 ATOM 947 O O . TRP A 1 126 ? 4.569 -1.491 18.675 1.00 11.35 ? 467 TRP A O 1 ATOM 948 C CB . TRP A 1 126 ? 7.521 -3.004 19.550 1.00 11.72 ? 467 TRP A CB 1 ATOM 949 C CG . TRP A 1 126 ? 6.668 -3.427 20.698 1.00 11.58 ? 467 TRP A CG 1 ATOM 950 C CD1 . TRP A 1 126 ? 6.288 -2.666 21.764 1.00 11.63 ? 467 TRP A CD1 1 ATOM 951 C CD2 . TRP A 1 126 ? 6.049 -4.706 20.874 1.00 12.24 ? 467 TRP A CD2 1 ATOM 952 N NE1 . TRP A 1 126 ? 5.468 -3.394 22.597 1.00 13.72 ? 467 TRP A NE1 1 ATOM 953 C CE2 . TRP A 1 126 ? 5.316 -4.652 22.074 1.00 12.37 ? 467 TRP A CE2 1 ATOM 954 C CE3 . TRP A 1 126 ? 6.045 -5.896 20.132 1.00 12.45 ? 467 TRP A CE3 1 ATOM 955 C CZ2 . TRP A 1 126 ? 4.600 -5.744 22.558 1.00 14.09 ? 467 TRP A CZ2 1 ATOM 956 C CZ3 . TRP A 1 126 ? 5.324 -6.976 20.616 1.00 13.26 ? 467 TRP A CZ3 1 ATOM 957 C CH2 . TRP A 1 126 ? 4.613 -6.888 21.815 1.00 14.08 ? 467 TRP A CH2 1 ATOM 958 N N . ASN A 1 127 ? 6.417 -0.290 19.073 1.00 11.19 ? 468 ASN A N 1 ATOM 959 C CA . ASN A 1 127 ? 5.653 0.800 19.655 1.00 11.49 ? 468 ASN A CA 1 ATOM 960 C C . ASN A 1 127 ? 4.608 1.321 18.691 1.00 11.98 ? 468 ASN A C 1 ATOM 961 O O . ASN A 1 127 ? 3.462 1.543 19.072 1.00 12.44 ? 468 ASN A O 1 ATOM 962 C CB . ASN A 1 127 ? 6.574 1.933 20.093 1.00 11.19 ? 468 ASN A CB 1 ATOM 963 C CG . ASN A 1 127 ? 7.374 1.587 21.324 1.00 12.02 ? 468 ASN A CG 1 ATOM 964 O OD1 . ASN A 1 127 ? 7.067 0.627 22.033 1.00 12.78 ? 468 ASN A OD1 1 ATOM 965 N ND2 . ASN A 1 127 ? 8.416 2.368 21.581 1.00 12.21 ? 468 ASN A ND2 1 ATOM 966 N N . ILE A 1 128 ? 5.005 1.520 17.441 1.00 12.07 ? 469 ILE A N 1 ATOM 967 C CA . ILE A 1 128 ? 4.081 2.052 16.449 1.00 12.41 ? 469 ILE A CA 1 ATOM 968 C C . ILE A 1 128 ? 2.982 1.035 16.120 1.00 12.47 ? 469 ILE A C 1 ATOM 969 O O . ILE A 1 128 ? 1.806 1.306 16.349 1.00 12.63 ? 469 ILE A O 1 ATOM 970 C CB . ILE A 1 128 ? 4.827 2.533 15.195 1.00 12.16 ? 469 ILE A CB 1 ATOM 971 C CG1 . ILE A 1 128 ? 5.654 3.782 15.536 1.00 12.06 ? 469 ILE A CG1 1 ATOM 972 C CG2 . ILE A 1 128 ? 3.853 2.801 14.038 1.00 13.56 ? 469 ILE A CG2 1 ATOM 973 C CD1 . ILE A 1 128 ? 4.885 4.918 16.184 1.00 16.14 ? 469 ILE A CD1 1 ATOM 974 N N . PRO A 1 129 ? 3.347 -0.168 15.644 1.00 12.24 ? 470 PRO A N 1 ATOM 975 C CA . PRO A 1 129 ? 2.264 -1.081 15.267 1.00 12.51 ? 470 PRO A CA 1 ATOM 976 C C . PRO A 1 129 ? 1.412 -1.537 16.446 1.00 13.05 ? 470 PRO A C 1 ATOM 977 O O . PRO A 1 129 ? 0.185 -1.586 16.328 1.00 13.43 ? 470 PRO A O 1 ATOM 978 C CB . PRO A 1 129 ? 3.001 -2.260 14.624 1.00 12.28 ? 470 PRO A CB 1 ATOM 979 C CG . PRO A 1 129 ? 4.410 -2.189 15.199 1.00 11.90 ? 470 PRO A CG 1 ATOM 980 C CD . PRO A 1 129 ? 4.672 -0.706 15.293 1.00 12.27 ? 470 PRO A CD 1 ATOM 981 N N . MET A 1 130 ? 2.024 -1.868 17.577 1.00 13.23 ? 471 MET A N 1 ATOM 982 C CA . MET A 1 130 ? 1.205 -2.319 18.699 1.00 13.78 ? 471 MET A CA 1 ATOM 983 C C . MET A 1 130 ? 0.386 -1.171 19.286 1.00 14.35 ? 471 MET A C 1 ATOM 984 O O . MET A 1 130 ? -0.742 -1.370 19.750 1.00 14.74 ? 471 MET A O 1 ATOM 985 C CB . MET A 1 130 ? 2.075 -3.005 19.776 1.00 13.86 ? 471 MET A CB 1 ATOM 986 C CG . MET A 1 130 ? 2.784 -4.282 19.302 1.00 15.55 ? 471 MET A CG 1 ATOM 987 S SD . MET A 1 130 ? 1.684 -5.396 18.394 1.00 19.51 ? 471 MET A SD 1 ATOM 988 C CE . MET A 1 130 ? 1.864 -6.899 19.346 1.00 24.50 ? 471 MET A CE 1 ATOM 989 N N . GLY A 1 131 ? 0.941 0.034 19.264 1.00 14.73 ? 472 GLY A N 1 ATOM 990 C CA . GLY A 1 131 ? 0.208 1.191 19.752 1.00 15.33 ? 472 GLY A CA 1 ATOM 991 C C . GLY A 1 131 ? -1.033 1.387 18.901 1.00 15.86 ? 472 GLY A C 1 ATOM 992 O O . GLY A 1 131 ? -2.127 1.623 19.425 1.00 16.30 ? 472 GLY A O 1 ATOM 993 N N . LEU A 1 132 ? -0.870 1.284 17.585 1.00 16.00 ? 473 LEU A N 1 ATOM 994 C CA . LEU A 1 132 ? -1.998 1.407 16.671 1.00 16.67 ? 473 LEU A CA 1 ATOM 995 C C . LEU A 1 132 ? -2.998 0.288 16.901 1.00 17.50 ? 473 LEU A C 1 ATOM 996 O O . LEU A 1 132 ? -4.210 0.517 16.907 1.00 18.18 ? 473 LEU A O 1 ATOM 997 C CB . LEU A 1 132 ? -1.524 1.377 15.223 1.00 16.37 ? 473 LEU A CB 1 ATOM 998 C CG . LEU A 1 132 ? -0.769 2.627 14.787 1.00 16.27 ? 473 LEU A CG 1 ATOM 999 C CD1 . LEU A 1 132 ? 0.022 2.341 13.523 1.00 15.79 ? 473 LEU A CD1 1 ATOM 1000 C CD2 . LEU A 1 132 ? -1.738 3.794 14.596 1.00 18.02 ? 473 LEU A CD2 1 ATOM 1001 N N . ILE A 1 133 ? -2.501 -0.930 17.080 1.00 17.34 ? 474 ILE A N 1 ATOM 1002 C CA . ILE A 1 133 ? -3.390 -2.071 17.269 1.00 18.35 ? 474 ILE A CA 1 ATOM 1003 C C . ILE A 1 133 ? -4.175 -1.989 18.574 1.00 19.31 ? 474 ILE A C 1 ATOM 1004 O O . ILE A 1 133 ? -5.381 -2.246 18.597 1.00 20.00 ? 474 ILE A O 1 ATOM 1005 C CB . ILE A 1 133 ? -2.633 -3.405 17.148 1.00 17.86 ? 474 ILE A CB 1 ATOM 1006 C CG1 . ILE A 1 133 ? -2.239 -3.619 15.685 1.00 17.47 ? 474 ILE A CG1 1 ATOM 1007 C CG2 . ILE A 1 133 ? -3.510 -4.558 17.617 1.00 17.98 ? 474 ILE A CG2 1 ATOM 1008 C CD1 . ILE A 1 133 ? -1.207 -4.708 15.468 1.00 17.23 ? 474 ILE A CD1 1 ATOM 1009 N N . VAL A 1 134 ? -3.497 -1.634 19.657 1.00 20.18 ? 475 VAL A N 1 ATOM 1010 C CA . VAL A 1 134 ? -4.170 -1.425 20.935 1.00 21.34 ? 475 VAL A CA 1 ATOM 1011 C C . VAL A 1 134 ? -5.291 -0.407 20.784 1.00 22.35 ? 475 VAL A C 1 ATOM 1012 O O . VAL A 1 134 ? -6.416 -0.642 21.222 1.00 22.56 ? 475 VAL A O 1 ATOM 1013 C CB . VAL A 1 134 ? -3.176 -0.971 22.017 1.00 21.08 ? 475 VAL A CB 1 ATOM 1014 C CG1 . VAL A 1 134 ? -3.906 -0.353 23.211 1.00 20.91 ? 475 VAL A CG1 1 ATOM 1015 C CG2 . VAL A 1 134 ? -2.312 -2.145 22.438 1.00 21.06 ? 475 VAL A CG2 1 ATOM 1016 N N . ASN A 1 135 ? -4.993 0.719 20.148 1.00 23.21 ? 476 ASN A N 1 ATOM 1017 C CA . ASN A 1 135 ? -5.998 1.762 19.970 1.00 24.35 ? 476 ASN A CA 1 ATOM 1018 C C . ASN A 1 135 ? -7.199 1.292 19.166 1.00 24.85 ? 476 ASN A C 1 ATOM 1019 O O . ASN A 1 135 ? -8.346 1.470 19.577 1.00 24.53 ? 476 ASN A O 1 ATOM 1020 C CB . ASN A 1 135 ? -5.394 2.992 19.300 1.00 24.75 ? 476 ASN A CB 1 ATOM 1021 C CG . ASN A 1 135 ? -4.527 3.798 20.239 1.00 26.05 ? 476 ASN A CG 1 ATOM 1022 O OD1 . ASN A 1 135 ? -4.440 3.495 21.432 1.00 26.08 ? 476 ASN A OD1 1 ATOM 1023 N ND2 . ASN A 1 135 ? -3.869 4.829 19.698 1.00 28.94 ? 476 ASN A ND2 1 ATOM 1024 N N . GLN A 1 136 ? -6.934 0.714 18.004 1.00 25.30 ? 477 GLN A N 1 ATOM 1025 C CA . GLN A 1 136 ? -8.020 0.288 17.128 1.00 26.29 ? 477 GLN A CA 1 ATOM 1026 C C . GLN A 1 136 ? -8.859 -0.852 17.707 1.00 26.72 ? 477 GLN A C 1 ATOM 1027 O O . GLN A 1 136 ? -10.062 -0.931 17.447 1.00 27.03 ? 477 GLN A O 1 ATOM 1028 C CB . GLN A 1 136 ? -7.477 -0.049 15.741 1.00 26.11 ? 477 GLN A CB 1 ATOM 1029 C CG . GLN A 1 136 ? -6.894 1.165 15.053 1.00 27.12 ? 477 GLN A CG 1 ATOM 1030 C CD . GLN A 1 136 ? -6.247 0.839 13.728 1.00 27.82 ? 477 GLN A CD 1 ATOM 1031 O OE1 . GLN A 1 136 ? -6.500 -0.215 13.143 1.00 28.40 ? 477 GLN A OE1 1 ATOM 1032 N NE2 . GLN A 1 136 ? -5.408 1.746 13.242 1.00 28.36 ? 477 GLN A NE2 1 ATOM 1033 N N . THR A 1 137 ? -8.245 -1.725 18.499 1.00 27.12 ? 478 THR A N 1 ATOM 1034 C CA . THR A 1 137 ? -8.978 -2.836 19.094 1.00 27.62 ? 478 THR A CA 1 ATOM 1035 C C . THR A 1 137 ? -9.596 -2.416 20.425 1.00 28.19 ? 478 THR A C 1 ATOM 1036 O O . THR A 1 137 ? -10.433 -3.123 20.992 1.00 28.34 ? 478 THR A O 1 ATOM 1037 C CB . THR A 1 137 ? -8.072 -4.058 19.308 1.00 27.43 ? 478 THR A CB 1 ATOM 1038 O OG1 . THR A 1 137 ? -7.013 -3.714 20.211 1.00 26.86 ? 478 THR A OG1 1 ATOM 1039 C CG2 . THR A 1 137 ? -7.478 -4.507 17.982 1.00 27.35 ? 478 THR A CG2 1 ATOM 1040 N N . GLY A 1 138 ? -9.181 -1.255 20.915 1.00 28.66 ? 479 GLY A N 1 ATOM 1041 C CA . GLY A 1 138 ? -9.633 -0.780 22.215 1.00 29.29 ? 479 GLY A CA 1 ATOM 1042 C C . GLY A 1 138 ? -9.287 -1.773 23.307 1.00 29.59 ? 479 GLY A C 1 ATOM 1043 O O . GLY A 1 138 ? -9.952 -1.829 24.341 1.00 30.17 ? 479 GLY A O 1 ATOM 1044 N N . SER A 1 139 ? -8.236 -2.555 23.082 1.00 29.78 ? 480 SER A N 1 ATOM 1045 C CA . SER A 1 139 ? -7.827 -3.586 24.032 1.00 29.67 ? 480 SER A CA 1 ATOM 1046 C C . SER A 1 139 ? -6.325 -3.592 24.290 1.00 29.80 ? 480 SER A C 1 ATOM 1047 O O . SER A 1 139 ? -5.530 -3.383 23.374 1.00 29.67 ? 480 SER A O 1 ATOM 1048 C CB . SER A 1 139 ? -8.244 -4.965 23.531 1.00 29.78 ? 480 SER A CB 1 ATOM 1049 O OG . SER A 1 139 ? -7.607 -5.981 24.282 1.00 29.89 ? 480 SER A OG 1 ATOM 1050 N N . CYS A 1 140 ? -5.943 -3.855 25.536 1.00 29.75 ? 481 CYS A N 1 ATOM 1051 C CA . CYS A 1 140 ? -4.532 -3.929 25.908 1.00 29.87 ? 481 CYS A CA 1 ATOM 1052 C C . CYS A 1 140 ? -3.968 -5.331 25.724 1.00 29.53 ? 481 CYS A C 1 ATOM 1053 O O . CYS A 1 140 ? -2.805 -5.589 26.024 1.00 29.44 ? 481 CYS A O 1 ATOM 1054 C CB . CYS A 1 140 ? -4.324 -3.473 27.355 1.00 30.08 ? 481 CYS A CB 1 ATOM 1055 S SG . CYS A 1 140 ? -4.088 -1.699 27.549 1.00 31.73 ? 481 CYS A SG 1 ATOM 1056 N N . ALA A 1 141 ? -4.794 -6.239 25.224 1.00 29.22 ? 482 ALA A N 1 ATOM 1057 C CA . ALA A 1 141 ? -4.381 -7.625 25.087 1.00 29.02 ? 482 ALA A CA 1 ATOM 1058 C C . ALA A 1 141 ? -3.608 -7.826 23.797 1.00 28.88 ? 482 ALA A C 1 ATOM 1059 O O . ALA A 1 141 ? -3.886 -8.748 23.036 1.00 29.01 ? 482 ALA A O 1 ATOM 1060 C CB . ALA A 1 141 ? -5.591 -8.542 25.120 1.00 29.10 ? 482 ALA A CB 1 ATOM 1061 N N . PHE A 1 142 ? -2.629 -6.963 23.554 1.00 28.59 ? 483 PHE A N 1 ATOM 1062 C CA . PHE A 1 142 ? -1.816 -7.059 22.342 1.00 28.36 ? 483 PHE A CA 1 ATOM 1063 C C . PHE A 1 142 ? -0.995 -8.343 22.276 1.00 28.23 ? 483 PHE A C 1 ATOM 1064 O O . PHE A 1 142 ? -0.464 -8.699 21.232 1.00 28.20 ? 483 PHE A O 1 ATOM 1065 C CB . PHE A 1 142 ? -0.873 -5.830 22.232 1.00 28.48 ? 483 PHE A CB 1 ATOM 1066 C CG . PHE A 1 142 ? 0.017 -5.586 23.411 1.00 28.66 ? 483 PHE A CG 1 ATOM 1067 C CD1 . PHE A 1 142 ? -0.161 -4.459 24.175 1.00 29.19 ? 483 PHE A CD1 1 ATOM 1068 C CD2 . PHE A 1 142 ? 1.009 -6.465 23.758 1.00 28.54 ? 483 PHE A CD2 1 ATOM 1069 C CE1 . PHE A 1 142 ? 0.642 -4.213 25.242 1.00 29.16 ? 483 PHE A CE1 1 ATOM 1070 C CE2 . PHE A 1 142 ? 1.804 -6.220 24.827 1.00 28.93 ? 483 PHE A CE2 1 ATOM 1071 C CZ . PHE A 1 142 ? 1.622 -5.095 25.569 1.00 28.82 ? 483 PHE A CZ 1 ATOM 1072 N N . ASP A 1 143 ? -0.908 -9.052 23.397 1.00 27.90 ? 484 ASP A N 1 ATOM 1073 C CA . ASP A 1 143 ? -0.179 -10.308 23.459 1.00 27.64 ? 484 ASP A CA 1 ATOM 1074 C C . ASP A 1 143 ? -1.013 -11.467 22.949 1.00 27.16 ? 484 ASP A C 1 ATOM 1075 O O . ASP A 1 143 ? -0.539 -12.591 22.900 1.00 27.33 ? 484 ASP A O 1 ATOM 1076 C CB . ASP A 1 143 ? 0.203 -10.614 24.896 1.00 28.11 ? 484 ASP A CB 1 ATOM 1077 C CG . ASP A 1 143 ? -0.999 -10.954 25.747 1.00 29.32 ? 484 ASP A CG 1 ATOM 1078 O OD1 . ASP A 1 143 ? -1.989 -10.190 25.727 1.00 30.22 ? 484 ASP A OD1 1 ATOM 1079 O OD2 . ASP A 1 143 ? -0.951 -11.989 26.444 1.00 32.17 ? 484 ASP A OD2 1 ATOM 1080 N N . GLU A 1 144 ? -2.268 -11.207 22.610 1.00 26.16 ? 485 GLU A N 1 ATOM 1081 C CA . GLU A 1 144 ? -3.140 -12.254 22.091 1.00 25.51 ? 485 GLU A CA 1 ATOM 1082 C C . GLU A 1 144 ? -3.690 -11.900 20.709 1.00 24.10 ? 485 GLU A C 1 ATOM 1083 O O . GLU A 1 144 ? -4.555 -12.590 20.179 1.00 24.46 ? 485 GLU A O 1 ATOM 1084 C CB . GLU A 1 144 ? -4.312 -12.498 23.049 1.00 25.88 ? 485 GLU A CB 1 ATOM 1085 C CG . GLU A 1 144 ? -3.917 -13.042 24.416 1.00 28.23 ? 485 GLU A CG 1 ATOM 1086 C CD . GLU A 1 144 ? -5.086 -13.081 25.384 1.00 31.04 ? 485 GLU A CD 1 ATOM 1087 O OE1 . GLU A 1 144 ? -6.191 -12.644 25.003 1.00 32.70 ? 485 GLU A OE1 1 ATOM 1088 O OE2 . GLU A 1 144 ? -4.898 -13.549 26.526 1.00 33.09 ? 485 GLU A OE2 1 ATOM 1089 N N . PHE A 1 145 ? -3.194 -10.819 20.123 1.00 22.14 ? 486 PHE A N 1 ATOM 1090 C CA . PHE A 1 145 ? -3.685 -10.365 18.829 1.00 20.46 ? 486 PHE A CA 1 ATOM 1091 C C . PHE A 1 145 ? -3.237 -11.253 17.668 1.00 19.52 ? 486 PHE A C 1 ATOM 1092 O O . PHE A 1 145 ? -4.057 -11.730 16.881 1.00 19.75 ? 486 PHE A O 1 ATOM 1093 C CB . PHE A 1 145 ? -3.247 -8.922 18.582 1.00 20.23 ? 486 PHE A CB 1 ATOM 1094 C CG . PHE A 1 145 ? -3.831 -8.321 17.344 1.00 19.34 ? 486 PHE A CG 1 ATOM 1095 C CD1 . PHE A 1 145 ? -5.148 -7.883 17.330 1.00 19.48 ? 486 PHE A CD1 1 ATOM 1096 C CD2 . PHE A 1 145 ? -3.069 -8.186 16.192 1.00 18.81 ? 486 PHE A CD2 1 ATOM 1097 C CE1 . PHE A 1 145 ? -5.691 -7.324 16.193 1.00 18.29 ? 486 PHE A CE1 1 ATOM 1098 C CE2 . PHE A 1 145 ? -3.604 -7.630 15.053 1.00 18.59 ? 486 PHE A CE2 1 ATOM 1099 C CZ . PHE A 1 145 ? -4.919 -7.199 15.048 1.00 19.11 ? 486 PHE A CZ 1 ATOM 1100 N N . PHE A 1 146 ? -1.929 -11.448 17.547 1.00 17.97 ? 487 PHE A N 1 ATOM 1101 C CA . PHE A 1 146 ? -1.379 -12.325 16.526 1.00 16.85 ? 487 PHE A CA 1 ATOM 1102 C C . PHE A 1 146 ? -1.387 -13.764 17.032 1.00 16.65 ? 487 PHE A C 1 ATOM 1103 O O . PHE A 1 146 ? -1.189 -14.008 18.218 1.00 17.24 ? 487 PHE A O 1 ATOM 1104 C CB . PHE A 1 146 ? 0.044 -11.876 16.164 1.00 16.23 ? 487 PHE A CB 1 ATOM 1105 C CG . PHE A 1 146 ? 0.098 -10.515 15.535 1.00 15.43 ? 487 PHE A CG 1 ATOM 1106 C CD1 . PHE A 1 146 ? -0.370 -10.319 14.244 1.00 14.76 ? 487 PHE A CD1 1 ATOM 1107 C CD2 . PHE A 1 146 ? 0.609 -9.429 16.234 1.00 15.34 ? 487 PHE A CD2 1 ATOM 1108 C CE1 . PHE A 1 146 ? -0.328 -9.063 13.659 1.00 15.16 ? 487 PHE A CE1 1 ATOM 1109 C CE2 . PHE A 1 146 ? 0.656 -8.174 15.654 1.00 14.70 ? 487 PHE A CE2 1 ATOM 1110 C CZ . PHE A 1 146 ? 0.184 -7.990 14.367 1.00 15.42 ? 487 PHE A CZ 1 ATOM 1111 N N . SER A 1 147 ? -1.614 -14.727 16.149 1.00 16.36 ? 488 SER A N 1 ATOM 1112 C CA . SER A 1 147 ? -1.618 -16.123 16.588 1.00 16.44 ? 488 SER A CA 1 ATOM 1113 C C . SER A 1 147 ? -0.267 -16.504 17.179 1.00 16.08 ? 488 SER A C 1 ATOM 1114 O O . SER A 1 147 ? -0.194 -17.142 18.228 1.00 16.75 ? 488 SER A O 1 ATOM 1115 C CB . SER A 1 147 ? -1.999 -17.069 15.447 1.00 16.23 ? 488 SER A CB 1 ATOM 1116 O OG . SER A 1 147 ? -1.131 -16.932 14.336 1.00 17.10 ? 488 SER A OG 1 ATOM 1117 N N . GLN A 1 148 ? 0.797 -16.102 16.494 1.00 15.56 ? 489 GLN A N 1 ATOM 1118 C CA . GLN A 1 148 ? 2.154 -16.351 16.948 1.00 15.38 ? 489 GLN A CA 1 ATOM 1119 C C . GLN A 1 148 ? 3.007 -15.207 16.448 1.00 14.25 ? 489 GLN A C 1 ATOM 1120 O O . GLN A 1 148 ? 2.677 -14.574 15.448 1.00 14.46 ? 489 GLN A O 1 ATOM 1121 C CB . GLN A 1 148 ? 2.693 -17.646 16.364 1.00 16.05 ? 489 GLN A CB 1 ATOM 1122 C CG . GLN A 1 148 ? 1.903 -18.884 16.708 1.00 18.52 ? 489 GLN A CG 1 ATOM 1123 C CD . GLN A 1 148 ? 2.500 -20.106 16.055 1.00 20.50 ? 489 GLN A CD 1 ATOM 1124 O OE1 . GLN A 1 148 ? 3.102 -20.948 16.724 1.00 23.84 ? 489 GLN A OE1 1 ATOM 1125 N NE2 . GLN A 1 148 ? 2.368 -20.197 14.735 1.00 22.19 ? 489 GLN A NE2 1 ATOM 1126 N N . SER A 1 149 ? 4.117 -14.955 17.127 1.00 13.33 ? 490 SER A N 1 ATOM 1127 C CA . SER A 1 149 ? 5.030 -13.917 16.684 1.00 12.44 ? 490 SER A CA 1 ATOM 1128 C C . SER A 1 149 ? 6.473 -14.257 17.007 1.00 11.87 ? 490 SER A C 1 ATOM 1129 O O . SER A 1 149 ? 6.767 -15.186 17.768 1.00 11.71 ? 490 SER A O 1 ATOM 1130 C CB . SER A 1 149 ? 4.703 -12.596 17.374 1.00 12.62 ? 490 SER A CB 1 ATOM 1131 O OG . SER A 1 149 ? 3.314 -12.319 17.354 1.00 12.91 ? 490 SER A OG 1 ATOM 1132 N N . CYS A 1 150 ? 7.375 -13.492 16.412 1.00 11.21 ? 491 CYS A N 1 ATOM 1133 C CA . CYS A 1 150 ? 8.695 -13.345 16.993 1.00 10.52 ? 491 CYS A CA 1 ATOM 1134 C C . CYS A 1 150 ? 8.828 -11.897 17.406 1.00 10.42 ? 491 CYS A C 1 ATOM 1135 O O . CYS A 1 150 ? 8.874 -11.002 16.561 1.00 10.39 ? 491 CYS A O 1 ATOM 1136 C CB . CYS A 1 150 ? 9.825 -13.723 16.033 1.00 10.54 ? 491 CYS A CB 1 ATOM 1137 S SG . CYS A 1 150 ? 11.458 -13.532 16.783 1.00 11.65 ? 491 CYS A SG 1 ATOM 1138 N N . ALA A 1 151 ? 8.850 -11.669 18.713 1.00 10.38 ? 492 ALA A N 1 ATOM 1139 C CA . ALA A 1 151 ? 8.973 -10.336 19.270 1.00 10.05 ? 492 ALA A CA 1 ATOM 1140 C C . ALA A 1 151 ? 10.054 -10.432 20.330 1.00 10.51 ? 492 ALA A C 1 ATOM 1141 O O . ALA A 1 151 ? 9.760 -10.614 21.514 1.00 10.68 ? 492 ALA A O 1 ATOM 1142 C CB . ALA A 1 151 ? 7.655 -9.875 19.888 1.00 10.91 ? 492 ALA A CB 1 ATOM 1143 N N . PRO A 1 152 ? 11.318 -10.345 19.902 1.00 10.51 ? 493 PRO A N 1 ATOM 1144 C CA . PRO A 1 152 ? 12.418 -10.516 20.847 1.00 10.59 ? 493 PRO A CA 1 ATOM 1145 C C . PRO A 1 152 ? 12.260 -9.631 22.076 1.00 11.14 ? 493 PRO A C 1 ATOM 1146 O O . PRO A 1 152 ? 11.951 -8.439 21.965 1.00 11.04 ? 493 PRO A O 1 ATOM 1147 C CB . PRO A 1 152 ? 13.657 -10.132 20.024 1.00 10.61 ? 493 PRO A CB 1 ATOM 1148 C CG . PRO A 1 152 ? 13.260 -10.413 18.595 1.00 10.61 ? 493 PRO A CG 1 ATOM 1149 C CD . PRO A 1 152 ? 11.790 -10.096 18.526 1.00 10.44 ? 493 PRO A CD 1 ATOM 1150 N N . GLY A 1 153 ? 12.466 -10.229 23.249 1.00 11.83 ? 494 GLY A N 1 ATOM 1151 C CA . GLY A 1 153 ? 12.248 -9.528 24.501 1.00 12.37 ? 494 GLY A CA 1 ATOM 1152 C C . GLY A 1 153 ? 11.001 -9.967 25.241 1.00 12.67 ? 494 GLY A C 1 ATOM 1153 O O . GLY A 1 153 ? 10.858 -9.711 26.435 1.00 13.70 ? 494 GLY A O 1 ATOM 1154 N N . ALA A 1 154 ? 10.082 -10.615 24.534 1.00 12.62 ? 495 ALA A N 1 ATOM 1155 C CA . ALA A 1 154 ? 8.869 -11.097 25.176 1.00 12.40 ? 495 ALA A CA 1 ATOM 1156 C C . ALA A 1 154 ? 9.154 -12.385 25.940 1.00 12.55 ? 495 ALA A C 1 ATOM 1157 O O . ALA A 1 154 ? 10.279 -12.874 25.927 1.00 13.23 ? 495 ALA A O 1 ATOM 1158 C CB . ALA A 1 154 ? 7.771 -11.299 24.144 1.00 12.82 ? 495 ALA A CB 1 ATOM 1159 N N . ASP A 1 155 ? 8.149 -12.914 26.629 1.00 12.65 ? 496 ASP A N 1 ATOM 1160 C CA . ASP A 1 155 ? 8.322 -14.165 27.377 1.00 12.62 ? 496 ASP A CA 1 ATOM 1161 C C . ASP A 1 155 ? 8.626 -15.291 26.391 1.00 12.67 ? 496 ASP A C 1 ATOM 1162 O O . ASP A 1 155 ? 7.828 -15.555 25.503 1.00 12.66 ? 496 ASP A O 1 ATOM 1163 C CB . ASP A 1 155 ? 7.036 -14.473 28.147 1.00 12.84 ? 496 ASP A CB 1 ATOM 1164 C CG . ASP A 1 155 ? 7.115 -15.762 28.942 1.00 14.63 ? 496 ASP A CG 1 ATOM 1165 O OD1 . ASP A 1 155 ? 8.155 -16.448 28.906 1.00 14.83 ? 496 ASP A OD1 1 ATOM 1166 O OD2 . ASP A 1 155 ? 6.119 -16.093 29.610 1.00 17.01 ? 496 ASP A OD2 1 ATOM 1167 N N . PRO A 1 156 ? 9.779 -15.968 26.535 1.00 12.79 ? 497 PRO A N 1 ATOM 1168 C CA . PRO A 1 156 ? 10.150 -16.965 25.526 1.00 13.54 ? 497 PRO A CA 1 ATOM 1169 C C . PRO A 1 156 ? 9.158 -18.117 25.357 1.00 13.86 ? 497 PRO A C 1 ATOM 1170 O O . PRO A 1 156 ? 9.150 -18.752 24.306 1.00 14.62 ? 497 PRO A O 1 ATOM 1171 C CB . PRO A 1 156 ? 11.495 -17.504 26.024 1.00 13.48 ? 497 PRO A CB 1 ATOM 1172 C CG . PRO A 1 156 ? 12.006 -16.490 26.956 1.00 15.06 ? 497 PRO A CG 1 ATOM 1173 C CD . PRO A 1 156 ? 10.848 -15.739 27.523 1.00 13.15 ? 497 PRO A CD 1 ATOM 1174 N N . LYS A 1 157 ? 8.340 -18.399 26.369 1.00 14.58 ? 498 LYS A N 1 ATOM 1175 C CA . LYS A 1 157 ? 7.397 -19.509 26.243 1.00 15.16 ? 498 LYS A CA 1 ATOM 1176 C C . LYS A 1 157 ? 6.052 -19.054 25.695 1.00 15.43 ? 498 LYS A C 1 ATOM 1177 O O . LYS A 1 157 ? 5.156 -19.874 25.475 1.00 16.38 ? 498 LYS A O 1 ATOM 1178 C CB . LYS A 1 157 ? 7.205 -20.227 27.579 1.00 15.47 ? 498 LYS A CB 1 ATOM 1179 C CG . LYS A 1 157 ? 6.379 -19.452 28.582 1.00 15.82 ? 498 LYS A CG 1 ATOM 1180 C CD . LYS A 1 157 ? 6.196 -20.258 29.863 1.00 16.89 ? 498 LYS A CD 1 ATOM 1181 C CE . LYS A 1 157 ? 5.570 -19.425 30.959 1.00 17.30 ? 498 LYS A CE 1 ATOM 1182 N NZ . LYS A 1 157 ? 6.401 -18.254 31.356 1.00 16.69 ? 498 LYS A NZ 1 ATOM 1183 N N . SER A 1 158 ? 5.916 -17.753 25.464 1.00 14.79 ? 499 SER A N 1 ATOM 1184 C CA . SER A 1 158 ? 4.638 -17.186 25.034 1.00 14.36 ? 499 SER A CA 1 ATOM 1185 C C . SER A 1 158 ? 4.479 -17.186 23.521 1.00 14.27 ? 499 SER A C 1 ATOM 1186 O O . SER A 1 158 ? 5.430 -17.416 22.771 1.00 13.89 ? 499 SER A O 1 ATOM 1187 C CB . SER A 1 158 ? 4.498 -15.754 25.534 1.00 14.42 ? 499 SER A CB 1 ATOM 1188 O OG . SER A 1 158 ? 5.307 -14.886 24.754 1.00 14.39 ? 499 SER A OG 1 ATOM 1189 N N . ARG A 1 159 ? 3.260 -16.914 23.077 1.00 14.36 ? 500 ARG A N 1 ATOM 1190 C CA . ARG A 1 159 ? 2.978 -16.848 21.661 1.00 14.51 ? 500 ARG A CA 1 ATOM 1191 C C . ARG A 1 159 ? 3.808 -15.762 20.995 1.00 13.50 ? 500 ARG A C 1 ATOM 1192 O O . ARG A 1 159 ? 4.116 -15.866 19.817 1.00 12.85 ? 500 ARG A O 1 ATOM 1193 C CB . ARG A 1 159 ? 1.487 -16.588 21.430 1.00 15.34 ? 500 ARG A CB 1 ATOM 1194 C CG . ARG A 1 159 ? 0.592 -17.771 21.770 1.00 18.45 ? 500 ARG A CG 1 ATOM 1195 C CD . ARG A 1 159 ? -0.840 -17.323 22.062 1.00 22.66 ? 500 ARG A CD 1 ATOM 1196 N NE . ARG A 1 159 ? -1.375 -16.437 21.033 1.00 25.53 ? 500 ARG A NE 1 ATOM 1197 C CZ . ARG A 1 159 ? -2.607 -15.934 21.044 1.00 27.00 ? 500 ARG A CZ 1 ATOM 1198 N NH1 . ARG A 1 159 ? -3.437 -16.225 22.039 1.00 27.84 ? 500 ARG A NH1 1 ATOM 1199 N NH2 . ARG A 1 159 ? -3.011 -15.139 20.062 1.00 28.04 ? 500 ARG A NH2 1 ATOM 1200 N N . LEU A 1 160 ? 4.160 -14.720 21.746 1.00 12.43 ? 501 LEU A N 1 ATOM 1201 C CA . LEU A 1 160 ? 4.925 -13.609 21.177 1.00 12.42 ? 501 LEU A CA 1 ATOM 1202 C C . LEU A 1 160 ? 6.342 -14.001 20.791 1.00 12.29 ? 501 LEU A C 1 ATOM 1203 O O . LEU A 1 160 ? 7.008 -13.267 20.063 1.00 12.24 ? 501 LEU A O 1 ATOM 1204 C CB . LEU A 1 160 ? 4.963 -12.430 22.144 1.00 12.54 ? 501 LEU A CB 1 ATOM 1205 C CG . LEU A 1 160 ? 3.684 -11.594 22.176 1.00 13.44 ? 501 LEU A CG 1 ATOM 1206 C CD1 . LEU A 1 160 ? 3.714 -10.636 23.347 1.00 14.46 ? 501 LEU A CD1 1 ATOM 1207 C CD2 . LEU A 1 160 ? 3.525 -10.835 20.877 1.00 14.14 ? 501 LEU A CD2 1 ATOM 1208 N N . CYS A 1 161 ? 6.800 -15.144 21.287 1.00 12.08 ? 502 CYS A N 1 ATOM 1209 C CA . CYS A 1 161 ? 8.141 -15.648 20.979 1.00 12.22 ? 502 CYS A CA 1 ATOM 1210 C C . CYS A 1 161 ? 8.110 -16.934 20.184 1.00 12.61 ? 502 CYS A C 1 ATOM 1211 O O . CYS A 1 161 ? 9.162 -17.483 19.876 1.00 12.98 ? 502 CYS A O 1 ATOM 1212 C CB . CYS A 1 161 ? 8.918 -15.937 22.263 1.00 12.50 ? 502 CYS A CB 1 ATOM 1213 S SG . CYS A 1 161 ? 9.547 -14.443 23.102 1.00 13.37 ? 502 CYS A SG 1 ATOM 1214 N N . ALA A 1 162 ? 6.917 -17.415 19.844 1.00 12.68 ? 503 ALA A N 1 ATOM 1215 C CA . ALA A 1 162 ? 6.806 -18.752 19.255 1.00 13.38 ? 503 ALA A CA 1 ATOM 1216 C C . ALA A 1 162 ? 7.527 -18.906 17.925 1.00 13.10 ? 503 ALA A C 1 ATOM 1217 O O . ALA A 1 162 ? 7.944 -20.008 17.567 1.00 14.09 ? 503 ALA A O 1 ATOM 1218 C CB . ALA A 1 162 ? 5.354 -19.157 19.112 1.00 13.56 ? 503 ALA A CB 1 ATOM 1219 N N . LEU A 1 163 ? 7.663 -17.811 17.181 1.00 13.11 ? 504 LEU A N 1 ATOM 1220 C CA . LEU A 1 163 ? 8.358 -17.900 15.888 1.00 12.91 ? 504 LEU A CA 1 ATOM 1221 C C . LEU A 1 163 ? 9.822 -17.591 15.943 1.00 12.49 ? 504 LEU A C 1 ATOM 1222 O O . LEU A 1 163 ? 10.519 -17.751 14.941 1.00 12.09 ? 504 LEU A O 1 ATOM 1223 C CB . LEU A 1 163 ? 7.736 -16.950 14.899 1.00 13.28 ? 504 LEU A CB 1 ATOM 1224 C CG . LEU A 1 163 ? 6.229 -17.113 14.778 1.00 13.17 ? 504 LEU A CG 1 ATOM 1225 C CD1 . LEU A 1 163 ? 5.628 -16.003 13.925 1.00 14.39 ? 504 LEU A CD1 1 ATOM 1226 C CD2 . LEU A 1 163 ? 5.867 -18.476 14.207 1.00 14.47 ? 504 LEU A CD2 1 ATOM 1227 N N . CYS A 1 164 ? 10.316 -17.131 17.088 1.00 12.55 ? 505 CYS A N 1 ATOM 1228 C CA . CYS A 1 164 ? 11.737 -16.840 17.188 1.00 12.80 ? 505 CYS A CA 1 ATOM 1229 C C . CYS A 1 164 ? 12.530 -18.139 17.137 1.00 13.25 ? 505 CYS A C 1 ATOM 1230 O O . CYS A 1 164 ? 12.045 -19.191 17.537 1.00 14.42 ? 505 CYS A O 1 ATOM 1231 C CB . CYS A 1 164 ? 12.055 -16.083 18.464 1.00 12.35 ? 505 CYS A CB 1 ATOM 1232 S SG . CYS A 1 164 ? 11.284 -14.437 18.614 1.00 12.94 ? 505 CYS A SG 1 ATOM 1233 N N . ALA A 1 165 ? 13.760 -18.063 16.652 1.00 13.42 ? 506 ALA A N 1 ATOM 1234 C CA . ALA A 1 165 ? 14.533 -19.274 16.376 1.00 14.16 ? 506 ALA A CA 1 ATOM 1235 C C . ALA A 1 165 ? 15.843 -19.397 17.150 1.00 14.74 ? 506 ALA A C 1 ATOM 1236 O O . ALA A 1 165 ? 16.480 -20.452 17.131 1.00 15.71 ? 506 ALA A O 1 ATOM 1237 C CB . ALA A 1 165 ? 14.808 -19.378 14.896 1.00 14.56 ? 506 ALA A CB 1 ATOM 1238 N N . GLY A 1 166 ? 16.264 -18.306 17.792 1.00 14.75 ? 507 GLY A N 1 ATOM 1239 C CA . GLY A 1 166 ? 17.523 -18.244 18.540 1.00 15.70 ? 507 GLY A CA 1 ATOM 1240 C C . GLY A 1 166 ? 18.745 -18.295 17.574 1.00 16.45 ? 507 GLY A C 1 ATOM 1241 O O . GLY A 1 166 ? 18.651 -17.923 16.392 1.00 15.99 ? 507 GLY A O 1 ATOM 1242 N N . ASP A 1 167 ? 19.852 -18.825 18.111 1.00 17.78 ? 508 ASP A N 1 ATOM 1243 C CA . ASP A 1 167 ? 21.062 -18.973 17.321 1.00 19.94 ? 508 ASP A CA 1 ATOM 1244 C C . ASP A 1 167 ? 21.181 -20.422 16.604 1.00 21.72 ? 508 ASP A C 1 ATOM 1245 O O . ASP A 1 167 ? 20.176 -21.119 16.494 1.00 22.06 ? 508 ASP A O 1 ATOM 1246 C CB . ASP A 1 167 ? 22.281 -18.595 18.199 1.00 19.52 ? 508 ASP A CB 1 ATOM 1247 C CG . ASP A 1 167 ? 22.548 -19.493 19.378 1.00 19.93 ? 508 ASP A CG 1 ATOM 1248 O OD1 . ASP A 1 167 ? 21.940 -20.572 19.419 1.00 19.87 ? 508 ASP A OD1 1 ATOM 1249 O OD2 . ASP A 1 167 ? 23.376 -19.133 20.236 1.00 20.64 ? 508 ASP A OD2 1 ATOM 1250 N N . ASP A 1 168 ? 22.425 -20.807 16.093 1.00 24.03 ? 509 ASP A N 1 ATOM 1251 C CA . ASP A 1 168 ? 22.856 -22.087 15.365 1.00 26.33 ? 509 ASP A CA 1 ATOM 1252 C C . ASP A 1 168 ? 22.486 -23.336 16.125 1.00 26.94 ? 509 ASP A C 1 ATOM 1253 O O . ASP A 1 168 ? 22.044 -24.363 15.594 1.00 27.77 ? 509 ASP A O 1 ATOM 1254 C CB . ASP A 1 168 ? 24.418 -22.147 15.216 1.00 27.11 ? 509 ASP A CB 1 ATOM 1255 C CG . ASP A 1 168 ? 25.094 -20.917 14.621 1.00 29.19 ? 509 ASP A CG 1 ATOM 1256 O OD1 . ASP A 1 168 ? 24.464 -20.267 13.755 1.00 32.45 ? 509 ASP A OD1 1 ATOM 1257 O OD2 . ASP A 1 168 ? 26.231 -20.608 15.013 1.00 32.74 ? 509 ASP A OD2 1 ATOM 1258 N N . GLN A 1 169 ? 22.712 -23.145 17.430 1.00 27.54 ? 510 GLN A N 1 ATOM 1259 C CA . GLN A 1 169 ? 22.457 -24.107 18.469 1.00 27.89 ? 510 GLN A CA 1 ATOM 1260 C C . GLN A 1 169 ? 21.016 -23.991 19.020 1.00 27.66 ? 510 GLN A C 1 ATOM 1261 O O . GLN A 1 169 ? 20.676 -24.725 19.932 1.00 27.76 ? 510 GLN A O 1 ATOM 1262 C CB . GLN A 1 169 ? 23.426 -23.911 19.639 1.00 28.34 ? 510 GLN A CB 1 ATOM 1263 C CG . GLN A 1 169 ? 24.893 -24.172 19.262 1.00 30.08 ? 510 GLN A CG 1 ATOM 1264 C CD . GLN A 1 169 ? 25.758 -24.566 20.446 1.00 32.48 ? 510 GLN A CD 1 ATOM 1265 O OE1 . GLN A 1 169 ? 25.762 -25.722 20.885 1.00 34.15 ? 510 GLN A OE1 1 ATOM 1266 N NE2 . GLN A 1 169 ? 26.569 -23.758 21.123 1.00 33.35 ? 510 GLN A NE2 1 ATOM 1267 N N . GLY A 1 170 ? 20.157 -23.085 18.475 1.00 26.98 ? 511 GLY A N 1 ATOM 1268 C CA . GLY A 1 170 ? 18.755 -23.031 18.947 1.00 26.24 ? 511 GLY A CA 1 ATOM 1269 C C . GLY A 1 170 ? 18.639 -22.435 20.346 1.00 25.64 ? 511 GLY A C 1 ATOM 1270 O O . GLY A 1 170 ? 17.590 -22.484 20.994 1.00 26.44 ? 511 GLY A O 1 ATOM 1271 N N . LEU A 1 171 ? 19.756 -21.896 20.799 1.00 24.39 ? 512 LEU A N 1 ATOM 1272 C CA . LEU A 1 171 ? 19.826 -21.267 22.126 1.00 23.25 ? 512 LEU A CA 1 ATOM 1273 C C . LEU A 1 171 ? 19.471 -19.799 22.017 1.00 21.84 ? 512 LEU A C 1 ATOM 1274 O O . LEU A 1 171 ? 19.494 -19.260 20.913 1.00 21.53 ? 512 LEU A O 1 ATOM 1275 C CB . LEU A 1 171 ? 21.258 -21.350 22.723 1.00 23.79 ? 512 LEU A CB 1 ATOM 1276 C CG . LEU A 1 171 ? 21.907 -22.746 22.876 1.00 25.15 ? 512 LEU A CG 1 ATOM 1277 C CD1 . LEU A 1 171 ? 23.100 -22.676 23.811 1.00 26.28 ? 512 LEU A CD1 1 ATOM 1278 C CD2 . LEU A 1 171 ? 20.889 -23.750 23.390 1.00 26.05 ? 512 LEU A CD2 1 ATOM 1279 N N . ASP A 1 172 ? 19.156 -19.153 23.132 1.00 20.33 ? 513 ASP A N 1 ATOM 1280 C CA . ASP A 1 172 ? 18.852 -17.727 23.122 1.00 19.20 ? 513 ASP A CA 1 ATOM 1281 C C . ASP A 1 172 ? 17.606 -17.379 22.342 1.00 17.70 ? 513 ASP A C 1 ATOM 1282 O O . ASP A 1 172 ? 17.485 -16.276 21.816 1.00 16.51 ? 513 ASP A O 1 ATOM 1283 C CB . ASP A 1 172 ? 20.048 -16.930 22.602 1.00 19.75 ? 513 ASP A CB 1 ATOM 1284 C CG . ASP A 1 172 ? 21.096 -16.691 23.671 1.00 21.85 ? 513 ASP A CG 1 ATOM 1285 O OD1 . ASP A 1 172 ? 20.778 -16.875 24.865 1.00 24.65 ? 513 ASP A OD1 1 ATOM 1286 O OD2 . ASP A 1 172 ? 22.231 -16.310 23.321 1.00 24.15 ? 513 ASP A OD2 1 ATOM 1287 N N . LYS A 1 173 ? 16.683 -18.300 22.310 1.00 16.13 ? 514 LYS A N 1 ATOM 1288 C CA . LYS A 1 173 ? 15.441 -18.076 21.617 1.00 15.44 ? 514 LYS A CA 1 ATOM 1289 C C . LYS A 1 173 ? 14.690 -16.868 22.148 1.00 14.21 ? 514 LYS A C 1 ATOM 1290 O O . LYS A 1 173 ? 14.316 -16.824 23.310 1.00 13.72 ? 514 LYS A O 1 ATOM 1291 C CB . LYS A 1 173 ? 14.570 -19.329 21.716 1.00 16.45 ? 514 LYS A CB 1 ATOM 1292 C CG . LYS A 1 173 ? 13.504 -19.462 20.637 1.00 19.58 ? 514 LYS A CG 1 ATOM 1293 C CD . LYS A 1 173 ? 13.079 -20.918 20.464 1.00 24.39 ? 514 LYS A CD 1 ATOM 1294 C CE . LYS A 1 173 ? 14.213 -21.750 19.904 1.00 26.71 ? 514 LYS A CE 1 ATOM 1295 N NZ . LYS A 1 173 ? 13.715 -22.998 19.251 1.00 29.73 ? 514 LYS A NZ 1 ATOM 1296 N N . CYS A 1 174 ? 14.456 -15.865 21.285 1.00 13.22 ? 515 CYS A N 1 ATOM 1297 C CA . CYS A 1 174 ? 13.714 -14.620 21.598 1.00 13.08 ? 515 CYS A CA 1 ATOM 1298 C C . CYS A 1 174 ? 14.491 -13.571 22.429 1.00 12.76 ? 515 CYS A C 1 ATOM 1299 O O . CYS A 1 174 ? 13.911 -12.594 22.916 1.00 12.95 ? 515 CYS A O 1 ATOM 1300 C CB . CYS A 1 174 ? 12.383 -14.957 22.290 1.00 13.05 ? 515 CYS A CB 1 ATOM 1301 S SG . CYS A 1 174 ? 11.152 -13.602 22.271 1.00 13.79 ? 515 CYS A SG 1 ATOM 1302 N N . VAL A 1 175 ? 15.822 -13.762 22.581 1.00 13.06 ? 516 VAL A N 1 ATOM 1303 C CA . VAL A 1 175 ? 16.618 -12.758 23.263 1.00 12.65 ? 516 VAL A CA 1 ATOM 1304 C C . VAL A 1 175 ? 16.574 -11.539 22.343 1.00 12.40 ? 516 VAL A C 1 ATOM 1305 O O . VAL A 1 175 ? 16.545 -11.675 21.131 1.00 11.87 ? 516 VAL A O 1 ATOM 1306 C CB . VAL A 1 175 ? 18.104 -13.184 23.526 1.00 12.94 ? 516 VAL A CB 1 ATOM 1307 C CG1 . VAL A 1 175 ? 18.164 -14.349 24.516 1.00 13.91 ? 516 VAL A CG1 1 ATOM 1308 C CG2 . VAL A 1 175 ? 18.796 -13.547 22.213 1.00 12.28 ? 516 VAL A CG2 1 ATOM 1309 N N . PRO A 1 176 ? 16.577 -10.363 22.903 1.00 11.70 ? 517 PRO A N 1 ATOM 1310 C CA . PRO A 1 176 ? 16.606 -9.171 22.062 1.00 11.35 ? 517 PRO A CA 1 ATOM 1311 C C . PRO A 1 176 ? 18.041 -8.725 21.772 1.00 11.30 ? 517 PRO A C 1 ATOM 1312 O O . PRO A 1 176 ? 18.480 -7.634 22.158 1.00 11.80 ? 517 PRO A O 1 ATOM 1313 C CB . PRO A 1 176 ? 15.846 -8.147 22.897 1.00 11.58 ? 517 PRO A CB 1 ATOM 1314 C CG . PRO A 1 176 ? 16.143 -8.538 24.291 1.00 12.01 ? 517 PRO A CG 1 ATOM 1315 C CD . PRO A 1 176 ? 16.239 -10.054 24.299 1.00 11.89 ? 517 PRO A CD 1 ATOM 1316 N N . ASN A 1 177 ? 18.763 -9.584 21.080 1.00 10.72 ? 518 ASN A N 1 ATOM 1317 C CA . ASN A 1 177 ? 20.047 -9.203 20.531 1.00 10.84 ? 518 ASN A CA 1 ATOM 1318 C C . ASN A 1 177 ? 20.306 -10.020 19.283 1.00 11.54 ? 518 ASN A C 1 ATOM 1319 O O . ASN A 1 177 ? 19.528 -10.922 18.950 1.00 11.14 ? 518 ASN A O 1 ATOM 1320 C CB . ASN A 1 177 ? 21.179 -9.294 21.571 1.00 11.23 ? 518 ASN A CB 1 ATOM 1321 C CG . ASN A 1 177 ? 21.575 -10.726 21.921 1.00 11.23 ? 518 ASN A CG 1 ATOM 1322 O OD1 . ASN A 1 177 ? 21.694 -11.595 21.055 1.00 12.25 ? 518 ASN A OD1 1 ATOM 1323 N ND2 . ASN A 1 177 ? 21.824 -10.956 23.199 1.00 14.18 ? 518 ASN A ND2 1 ATOM 1324 N N . SER A 1 178 ? 21.348 -9.656 18.549 1.00 11.96 ? 519 SER A N 1 ATOM 1325 C CA . SER A 1 178 ? 21.606 -10.235 17.245 1.00 12.89 ? 519 SER A CA 1 ATOM 1326 C C . SER A 1 178 ? 21.800 -11.774 17.217 1.00 13.31 ? 519 SER A C 1 ATOM 1327 O O . SER A 1 178 ? 21.881 -12.336 16.117 1.00 14.20 ? 519 SER A O 1 ATOM 1328 C CB . SER A 1 178 ? 22.740 -9.478 16.555 1.00 13.35 ? 519 SER A CB 1 ATOM 1329 O OG . SER A 1 178 ? 23.981 -9.719 17.193 1.00 13.92 ? 519 SER A OG 1 ATOM 1330 N N . LYS A 1 179 ? 21.904 -12.454 18.323 1.00 13.51 ? 520 LYS A N 1 ATOM 1331 C CA . LYS A 1 179 ? 22.042 -13.914 18.299 1.00 14.52 ? 520 LYS A CA 1 ATOM 1332 C C . LYS A 1 179 ? 20.758 -14.522 17.805 1.00 14.07 ? 520 LYS A C 1 ATOM 1333 O O . LYS A 1 179 ? 20.757 -15.533 17.079 1.00 14.69 ? 520 LYS A O 1 ATOM 1334 C CB . LYS A 1 179 ? 22.432 -14.462 19.661 1.00 15.28 ? 520 LYS A CB 1 ATOM 1335 C CG . LYS A 1 179 ? 23.827 -14.033 20.080 1.00 17.86 ? 520 LYS A CG 1 ATOM 1336 C CD . LYS A 1 179 ? 24.820 -14.282 18.974 1.00 22.80 ? 520 LYS A CD 1 ATOM 1337 C CE . LYS A 1 179 ? 24.858 -15.768 18.639 1.00 25.17 ? 520 LYS A CE 1 ATOM 1338 N NZ . LYS A 1 179 ? 25.783 -16.068 17.514 1.00 27.78 ? 520 LYS A NZ 1 ATOM 1339 N N . GLU A 1 180 ? 19.661 -13.880 18.183 1.00 12.73 ? 521 GLU A N 1 ATOM 1340 C CA . GLU A 1 180 ? 18.377 -14.361 17.747 1.00 12.38 ? 521 GLU A CA 1 ATOM 1341 C C . GLU A 1 180 ? 18.276 -14.122 16.235 1.00 12.15 ? 521 GLU A C 1 ATOM 1342 O O . GLU A 1 180 ? 18.414 -13.010 15.736 1.00 11.19 ? 521 GLU A O 1 ATOM 1343 C CB . GLU A 1 180 ? 17.232 -13.658 18.508 1.00 12.47 ? 521 GLU A CB 1 ATOM 1344 C CG . GLU A 1 180 ? 15.874 -13.686 17.829 1.00 11.45 ? 521 GLU A CG 1 ATOM 1345 C CD . GLU A 1 180 ? 15.341 -15.087 17.610 1.00 11.48 ? 521 GLU A CD 1 ATOM 1346 O OE1 . GLU A 1 180 ? 15.328 -15.863 18.587 1.00 11.41 ? 521 GLU A OE1 1 ATOM 1347 O OE2 . GLU A 1 180 ? 14.938 -15.394 16.471 1.00 12.34 ? 521 GLU A OE2 1 ATOM 1348 N N . LYS A 1 181 ? 18.045 -15.212 15.510 1.00 12.35 ? 522 LYS A N 1 ATOM 1349 C CA . LYS A 1 181 ? 17.984 -15.192 14.052 1.00 12.82 ? 522 LYS A CA 1 ATOM 1350 C C . LYS A 1 181 ? 17.083 -14.082 13.519 1.00 12.33 ? 522 LYS A C 1 ATOM 1351 O O . LYS A 1 181 ? 17.414 -13.414 12.538 1.00 12.90 ? 522 LYS A O 1 ATOM 1352 C CB . LYS A 1 181 ? 17.476 -16.547 13.552 1.00 13.43 ? 522 LYS A CB 1 ATOM 1353 C CG . LYS A 1 181 ? 17.443 -16.723 12.049 1.00 15.79 ? 522 LYS A CG 1 ATOM 1354 C CD . LYS A 1 181 ? 16.957 -18.143 11.726 1.00 19.37 ? 522 LYS A CD 1 ATOM 1355 C CE . LYS A 1 181 ? 17.336 -18.580 10.334 1.00 23.65 ? 522 LYS A CE 1 ATOM 1356 N NZ . LYS A 1 181 ? 17.103 -20.045 10.162 1.00 25.74 ? 522 LYS A NZ 1 ATOM 1357 N N . TYR A 1 182 ? 15.939 -13.891 14.164 1.00 11.96 ? 523 TYR A N 1 ATOM 1358 C CA . TYR A 1 182 ? 14.956 -12.950 13.652 1.00 11.58 ? 523 TYR A CA 1 ATOM 1359 C C . TYR A 1 182 ? 14.937 -11.616 14.393 1.00 11.01 ? 523 TYR A C 1 ATOM 1360 O O . TYR A 1 182 ? 13.947 -10.887 14.340 1.00 11.17 ? 523 TYR A O 1 ATOM 1361 C CB . TYR A 1 182 ? 13.567 -13.590 13.639 1.00 11.80 ? 523 TYR A CB 1 ATOM 1362 C CG . TYR A 1 182 ? 13.512 -14.854 12.810 1.00 11.71 ? 523 TYR A CG 1 ATOM 1363 C CD1 . TYR A 1 182 ? 14.038 -14.882 11.523 1.00 12.72 ? 523 TYR A CD1 1 ATOM 1364 C CD2 . TYR A 1 182 ? 12.944 -16.014 13.311 1.00 12.82 ? 523 TYR A CD2 1 ATOM 1365 C CE1 . TYR A 1 182 ? 14.002 -16.038 10.754 1.00 13.65 ? 523 TYR A CE1 1 ATOM 1366 C CE2 . TYR A 1 182 ? 12.897 -17.175 12.540 1.00 14.02 ? 523 TYR A CE2 1 ATOM 1367 C CZ . TYR A 1 182 ? 13.431 -17.173 11.272 1.00 13.86 ? 523 TYR A CZ 1 ATOM 1368 O OH . TYR A 1 182 ? 13.386 -18.322 10.508 1.00 15.71 ? 523 TYR A OH 1 ATOM 1369 N N . TYR A 1 183 ? 16.032 -11.297 15.077 1.00 10.59 ? 524 TYR A N 1 ATOM 1370 C CA . TYR A 1 183 ? 16.156 -10.010 15.763 1.00 10.20 ? 524 TYR A CA 1 ATOM 1371 C C . TYR A 1 183 ? 16.373 -8.816 14.832 1.00 9.70 ? 524 TYR A C 1 ATOM 1372 O O . TYR A 1 183 ? 17.119 -8.893 13.844 1.00 10.24 ? 524 TYR A O 1 ATOM 1373 C CB . TYR A 1 183 ? 17.299 -10.046 16.800 1.00 10.81 ? 524 TYR A CB 1 ATOM 1374 C CG . TYR A 1 183 ? 17.506 -8.712 17.478 1.00 9.97 ? 524 TYR A CG 1 ATOM 1375 C CD1 . TYR A 1 183 ? 16.639 -8.291 18.472 1.00 11.62 ? 524 TYR A CD1 1 ATOM 1376 C CD2 . TYR A 1 183 ? 18.541 -7.861 17.099 1.00 11.54 ? 524 TYR A CD2 1 ATOM 1377 C CE1 . TYR A 1 183 ? 16.780 -7.064 19.074 1.00 11.95 ? 524 TYR A CE1 1 ATOM 1378 C CE2 . TYR A 1 183 ? 18.703 -6.633 17.712 1.00 12.03 ? 524 TYR A CE2 1 ATOM 1379 C CZ . TYR A 1 183 ? 17.815 -6.247 18.695 1.00 12.08 ? 524 TYR A CZ 1 ATOM 1380 O OH . TYR A 1 183 ? 17.928 -5.024 19.311 1.00 14.07 ? 524 TYR A OH 1 ATOM 1381 N N . GLY A 1 184 ? 15.751 -7.692 15.183 1.00 9.18 ? 525 GLY A N 1 ATOM 1382 C CA . GLY A 1 184 ? 16.096 -6.423 14.562 1.00 9.37 ? 525 GLY A CA 1 ATOM 1383 C C . GLY A 1 184 ? 15.441 -6.251 13.211 1.00 9.42 ? 525 GLY A C 1 ATOM 1384 O O . GLY A 1 184 ? 14.636 -7.072 12.793 1.00 9.51 ? 525 GLY A O 1 ATOM 1385 N N . TYR A 1 185 ? 15.769 -5.162 12.530 1.00 9.22 ? 526 TYR A N 1 ATOM 1386 C CA . TYR A 1 185 ? 15.201 -4.919 11.211 1.00 9.56 ? 526 TYR A CA 1 ATOM 1387 C C . TYR A 1 185 ? 15.423 -6.092 10.274 1.00 10.34 ? 526 TYR A C 1 ATOM 1388 O O . TYR A 1 185 ? 14.494 -6.576 9.634 1.00 10.30 ? 526 TYR A O 1 ATOM 1389 C CB . TYR A 1 185 ? 15.816 -3.686 10.562 1.00 9.54 ? 526 TYR A CB 1 ATOM 1390 C CG . TYR A 1 185 ? 15.533 -2.373 11.256 1.00 9.04 ? 526 TYR A CG 1 ATOM 1391 C CD1 . TYR A 1 185 ? 14.232 -1.898 11.410 1.00 8.87 ? 526 TYR A CD1 1 ATOM 1392 C CD2 . TYR A 1 185 ? 16.574 -1.590 11.719 1.00 9.56 ? 526 TYR A CD2 1 ATOM 1393 C CE1 . TYR A 1 185 ? 13.976 -0.685 12.028 1.00 8.77 ? 526 TYR A CE1 1 ATOM 1394 C CE2 . TYR A 1 185 ? 16.339 -0.382 12.331 1.00 8.79 ? 526 TYR A CE2 1 ATOM 1395 C CZ . TYR A 1 185 ? 15.037 0.069 12.490 1.00 9.29 ? 526 TYR A CZ 1 ATOM 1396 O OH . TYR A 1 185 ? 14.826 1.278 13.081 1.00 10.16 ? 526 TYR A OH 1 ATOM 1397 N N . THR A 1 186 ? 16.675 -6.525 10.172 1.00 11.17 ? 527 THR A N 1 ATOM 1398 C CA . THR A 1 186 ? 17.038 -7.549 9.202 1.00 12.11 ? 527 THR A CA 1 ATOM 1399 C C . THR A 1 186 ? 16.428 -8.893 9.597 1.00 11.11 ? 527 THR A C 1 ATOM 1400 O O . THR A 1 186 ? 15.911 -9.610 8.748 1.00 10.59 ? 527 THR A O 1 ATOM 1401 C CB . THR A 1 186 ? 18.571 -7.647 9.030 1.00 12.68 ? 527 THR A CB 1 ATOM 1402 O OG1 . THR A 1 186 ? 19.086 -6.341 8.734 1.00 17.09 ? 527 THR A OG1 1 ATOM 1403 C CG2 . THR A 1 186 ? 18.926 -8.585 7.893 1.00 15.79 ? 527 THR A CG2 1 ATOM 1404 N N . GLY A 1 187 ? 16.468 -9.215 10.888 1.00 10.84 ? 528 GLY A N 1 ATOM 1405 C CA . GLY A 1 187 ? 15.893 -10.462 11.377 1.00 10.69 ? 528 GLY A CA 1 ATOM 1406 C C . GLY A 1 187 ? 14.388 -10.528 11.166 1.00 10.48 ? 528 GLY A C 1 ATOM 1407 O O . GLY A 1 187 ? 13.856 -11.547 10.735 1.00 10.67 ? 528 GLY A O 1 ATOM 1408 N N . ALA A 1 188 ? 13.689 -9.441 11.467 1.00 10.06 ? 529 ALA A N 1 ATOM 1409 C CA . ALA A 1 188 ? 12.251 -9.438 11.290 1.00 10.10 ? 529 ALA A CA 1 ATOM 1410 C C . ALA A 1 188 ? 11.879 -9.535 9.814 1.00 10.47 ? 529 ALA A C 1 ATOM 1411 O O . ALA A 1 188 ? 10.931 -10.236 9.451 1.00 10.44 ? 529 ALA A O 1 ATOM 1412 C CB . ALA A 1 188 ? 11.637 -8.208 11.926 1.00 10.98 ? 529 ALA A CB 1 ATOM 1413 N N . PHE A 1 189 ? 12.626 -8.843 8.958 1.00 10.35 ? 530 PHE A N 1 ATOM 1414 C CA . PHE A 1 189 ? 12.403 -8.984 7.523 1.00 10.36 ? 530 PHE A CA 1 ATOM 1415 C C . PHE A 1 189 ? 12.690 -10.417 7.049 1.00 10.44 ? 530 PHE A C 1 ATOM 1416 O O . PHE A 1 189 ? 11.955 -10.947 6.225 1.00 10.23 ? 530 PHE A O 1 ATOM 1417 C CB . PHE A 1 189 ? 13.211 -7.964 6.715 1.00 10.33 ? 530 PHE A CB 1 ATOM 1418 C CG . PHE A 1 189 ? 12.836 -7.930 5.261 1.00 11.25 ? 530 PHE A CG 1 ATOM 1419 C CD1 . PHE A 1 189 ? 11.555 -7.568 4.875 1.00 12.51 ? 530 PHE A CD1 1 ATOM 1420 C CD2 . PHE A 1 189 ? 13.752 -8.273 4.287 1.00 12.82 ? 530 PHE A CD2 1 ATOM 1421 C CE1 . PHE A 1 189 ? 11.193 -7.542 3.528 1.00 13.14 ? 530 PHE A CE1 1 ATOM 1422 C CE2 . PHE A 1 189 ? 13.398 -8.254 2.939 1.00 13.19 ? 530 PHE A CE2 1 ATOM 1423 C CZ . PHE A 1 189 ? 12.120 -7.890 2.564 1.00 14.03 ? 530 PHE A CZ 1 ATOM 1424 N N . ARG A 1 190 ? 13.727 -11.050 7.589 1.00 10.56 ? 531 ARG A N 1 ATOM 1425 C CA . ARG A 1 190 ? 14.012 -12.441 7.236 1.00 10.63 ? 531 ARG A CA 1 ATOM 1426 C C . ARG A 1 190 ? 12.878 -13.363 7.672 1.00 11.25 ? 531 ARG A C 1 ATOM 1427 O O . ARG A 1 190 ? 12.528 -14.312 6.974 1.00 11.52 ? 531 ARG A O 1 ATOM 1428 C CB . ARG A 1 190 ? 15.326 -12.872 7.879 1.00 10.56 ? 531 ARG A CB 1 ATOM 1429 C CG . ARG A 1 190 ? 15.722 -14.298 7.581 1.00 10.91 ? 531 ARG A CG 1 ATOM 1430 C CD . ARG A 1 190 ? 17.004 -14.660 8.308 1.00 12.03 ? 531 ARG A CD 1 ATOM 1431 N NE . ARG A 1 190 ? 17.412 -16.011 7.941 1.00 14.03 ? 531 ARG A NE 1 ATOM 1432 C CZ . ARG A 1 190 ? 18.626 -16.504 8.142 1.00 16.34 ? 531 ARG A CZ 1 ATOM 1433 N NH1 . ARG A 1 190 ? 19.556 -15.768 8.733 1.00 17.95 ? 531 ARG A NH1 1 ATOM 1434 N NH2 . ARG A 1 190 ? 18.902 -17.743 7.756 1.00 18.58 ? 531 ARG A NH2 1 ATOM 1435 N N . CYS A 1 191 ? 12.301 -13.072 8.832 1.00 11.14 ? 532 CYS A N 1 ATOM 1436 C CA . CYS A 1 191 ? 11.178 -13.837 9.352 1.00 11.84 ? 532 CYS A CA 1 ATOM 1437 C C . CYS A 1 191 ? 10.008 -13.808 8.349 1.00 11.49 ? 532 CYS A C 1 ATOM 1438 O O . CYS A 1 191 ? 9.356 -14.837 8.106 1.00 12.07 ? 532 CYS A O 1 ATOM 1439 C CB . CYS A 1 191 ? 10.832 -13.294 10.744 1.00 11.49 ? 532 CYS A CB 1 ATOM 1440 S SG . CYS A 1 191 ? 9.289 -13.779 11.514 1.00 13.51 ? 532 CYS A SG 1 ATOM 1441 N N . LEU A 1 192 ? 9.781 -12.652 7.732 1.00 11.55 ? 533 LEU A N 1 ATOM 1442 C CA . LEU A 1 192 ? 8.770 -12.541 6.686 1.00 12.13 ? 533 LEU A CA 1 ATOM 1443 C C . LEU A 1 192 ? 9.238 -13.221 5.405 1.00 12.57 ? 533 LEU A C 1 ATOM 1444 O O . LEU A 1 192 ? 8.486 -13.968 4.767 1.00 12.79 ? 533 LEU A O 1 ATOM 1445 C CB . LEU A 1 192 ? 8.467 -11.075 6.389 1.00 11.86 ? 533 LEU A CB 1 ATOM 1446 C CG . LEU A 1 192 ? 7.545 -10.848 5.185 1.00 11.32 ? 533 LEU A CG 1 ATOM 1447 C CD1 . LEU A 1 192 ? 6.120 -11.306 5.495 1.00 13.65 ? 533 LEU A CD1 1 ATOM 1448 C CD2 . LEU A 1 192 ? 7.543 -9.378 4.803 1.00 12.13 ? 533 LEU A CD2 1 ATOM 1449 N N . ALA A 1 193 ? 10.484 -12.970 5.019 1.00 12.94 ? 534 ALA A N 1 ATOM 1450 C CA . ALA A 1 193 ? 10.991 -13.513 3.756 1.00 13.82 ? 534 ALA A CA 1 ATOM 1451 C C . ALA A 1 193 ? 10.872 -15.033 3.722 1.00 14.09 ? 534 ALA A C 1 ATOM 1452 O O . ALA A 1 193 ? 10.534 -15.612 2.689 1.00 14.70 ? 534 ALA A O 1 ATOM 1453 C CB . ALA A 1 193 ? 12.428 -13.100 3.544 1.00 13.87 ? 534 ALA A CB 1 ATOM 1454 N N . GLU A 1 194 ? 11.156 -15.669 4.851 1.00 14.04 ? 535 GLU A N 1 ATOM 1455 C CA . GLU A 1 194 ? 11.128 -17.131 4.951 1.00 14.86 ? 535 GLU A CA 1 ATOM 1456 C C . GLU A 1 194 ? 9.720 -17.665 5.218 1.00 15.23 ? 535 GLU A C 1 ATOM 1457 O O . GLU A 1 194 ? 9.531 -18.871 5.408 1.00 15.59 ? 535 GLU A O 1 ATOM 1458 C CB . GLU A 1 194 ? 12.116 -17.615 6.017 1.00 15.06 ? 535 GLU A CB 1 ATOM 1459 C CG . GLU A 1 194 ? 13.571 -17.283 5.701 1.00 16.75 ? 535 GLU A CG 1 ATOM 1460 C CD . GLU A 1 194 ? 14.535 -17.752 6.770 1.00 18.49 ? 535 GLU A CD 1 ATOM 1461 O OE1 . GLU A 1 194 ? 14.087 -18.128 7.874 1.00 20.84 ? 535 GLU A OE1 1 ATOM 1462 O OE2 . GLU A 1 194 ? 15.752 -17.738 6.497 1.00 21.35 ? 535 GLU A OE2 1 ATOM 1463 N N . ASP A 1 195 ? 8.739 -16.765 5.219 1.00 15.06 ? 536 ASP A N 1 ATOM 1464 C CA . ASP A 1 195 ? 7.340 -17.118 5.470 1.00 15.51 ? 536 ASP A CA 1 ATOM 1465 C C . ASP A 1 195 ? 7.122 -17.719 6.853 1.00 15.35 ? 536 ASP A C 1 ATOM 1466 O O . ASP A 1 195 ? 6.147 -18.435 7.097 1.00 15.83 ? 536 ASP A O 1 ATOM 1467 C CB . ASP A 1 195 ? 6.793 -18.020 4.356 1.00 15.88 ? 536 ASP A CB 1 ATOM 1468 C CG . ASP A 1 195 ? 6.645 -17.277 3.039 1.00 17.77 ? 536 ASP A CG 1 ATOM 1469 O OD1 . ASP A 1 195 ? 6.467 -16.045 3.065 1.00 19.03 ? 536 ASP A OD1 1 ATOM 1470 O OD2 . ASP A 1 195 ? 6.700 -17.917 1.969 1.00 22.30 ? 536 ASP A OD2 1 ATOM 1471 N N . VAL A 1 196 ? 8.021 -17.407 7.777 1.00 14.34 ? 537 VAL A N 1 ATOM 1472 C CA . VAL A 1 196 ? 7.790 -17.770 9.167 1.00 14.36 ? 537 VAL A CA 1 ATOM 1473 C C . VAL A 1 196 ? 6.643 -16.918 9.697 1.00 13.98 ? 537 VAL A C 1 ATOM 1474 O O . VAL A 1 196 ? 5.752 -17.407 10.388 1.00 14.11 ? 537 VAL A O 1 ATOM 1475 C CB . VAL A 1 196 ? 9.085 -17.619 9.993 1.00 13.99 ? 537 VAL A CB 1 ATOM 1476 C CG1 . VAL A 1 196 ? 8.812 -17.745 11.497 1.00 14.52 ? 537 VAL A CG1 1 ATOM 1477 C CG2 . VAL A 1 196 ? 10.121 -18.655 9.530 1.00 15.42 ? 537 VAL A CG2 1 ATOM 1478 N N . GLY A 1 197 ? 6.654 -15.635 9.359 1.00 13.24 ? 538 GLY A N 1 ATOM 1479 C CA . GLY A 1 197 ? 5.541 -14.761 9.700 1.00 12.85 ? 538 GLY A CA 1 ATOM 1480 C C . GLY A 1 197 ? 4.806 -14.283 8.461 1.00 12.79 ? 538 GLY A C 1 ATOM 1481 O O . GLY A 1 197 ? 5.319 -14.389 7.344 1.00 13.41 ? 538 GLY A O 1 ATOM 1482 N N . ASP A 1 198 ? 3.601 -13.757 8.669 1.00 12.72 ? 539 ASP A N 1 ATOM 1483 C CA . ASP A 1 198 ? 2.789 -13.164 7.612 1.00 13.04 ? 539 ASP A CA 1 ATOM 1484 C C . ASP A 1 198 ? 3.094 -11.685 7.396 1.00 12.48 ? 539 ASP A C 1 ATOM 1485 O O . ASP A 1 198 ? 2.876 -11.149 6.308 1.00 12.56 ? 539 ASP A O 1 ATOM 1486 C CB . ASP A 1 198 ? 1.315 -13.260 7.990 1.00 13.11 ? 539 ASP A CB 1 ATOM 1487 C CG . ASP A 1 198 ? 0.804 -14.688 8.034 1.00 15.04 ? 539 ASP A CG 1 ATOM 1488 O OD1 . ASP A 1 198 ? 0.943 -15.400 7.021 1.00 18.37 ? 539 ASP A OD1 1 ATOM 1489 O OD2 . ASP A 1 198 ? 0.234 -15.081 9.072 1.00 15.59 ? 539 ASP A OD2 1 ATOM 1490 N N . VAL A 1 199 ? 3.562 -11.019 8.448 1.00 12.15 ? 540 VAL A N 1 ATOM 1491 C CA . VAL A 1 199 ? 3.806 -9.586 8.396 1.00 12.06 ? 540 VAL A CA 1 ATOM 1492 C C . VAL A 1 199 ? 5.069 -9.261 9.176 1.00 11.86 ? 540 VAL A C 1 ATOM 1493 O O . VAL A 1 199 ? 5.345 -9.876 10.206 1.00 12.12 ? 540 VAL A O 1 ATOM 1494 C CB . VAL A 1 199 ? 2.601 -8.775 8.932 1.00 12.32 ? 540 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 199 ? 2.318 -9.120 10.380 1.00 12.41 ? 540 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 199 ? 2.836 -7.269 8.761 1.00 12.16 ? 540 VAL A CG2 1 ATOM 1497 N N . ALA A 1 200 ? 5.815 -8.290 8.685 1.00 11.36 ? 541 ALA A N 1 ATOM 1498 C CA . ALA A 1 200 ? 7.004 -7.815 9.369 1.00 11.00 ? 541 ALA A CA 1 ATOM 1499 C C . ALA A 1 200 ? 6.815 -6.309 9.660 1.00 10.72 ? 541 ALA A C 1 ATOM 1500 O O . ALA A 1 200 ? 6.372 -5.550 8.797 1.00 11.05 ? 541 ALA A O 1 ATOM 1501 C CB . ALA A 1 200 ? 8.267 -8.057 8.561 1.00 11.25 ? 541 ALA A CB 1 ATOM 1502 N N . PHE A 1 201 ? 7.159 -5.909 10.884 1.00 10.38 ? 542 PHE A N 1 ATOM 1503 C CA . PHE A 1 201 ? 7.105 -4.532 11.289 1.00 10.03 ? 542 PHE A CA 1 ATOM 1504 C C . PHE A 1 201 ? 8.532 -4.064 11.300 1.00 10.08 ? 542 PHE A C 1 ATOM 1505 O O . PHE A 1 201 ? 9.295 -4.415 12.196 1.00 10.66 ? 542 PHE A O 1 ATOM 1506 C CB . PHE A 1 201 ? 6.366 -4.376 12.593 1.00 10.58 ? 542 PHE A CB 1 ATOM 1507 C CG . PHE A 1 201 ? 4.929 -4.800 12.494 1.00 11.25 ? 542 PHE A CG 1 ATOM 1508 C CD1 . PHE A 1 201 ? 4.004 -4.043 11.795 1.00 11.33 ? 542 PHE A CD1 1 ATOM 1509 C CD2 . PHE A 1 201 ? 4.514 -5.970 13.103 1.00 11.49 ? 542 PHE A CD2 1 ATOM 1510 C CE1 . PHE A 1 201 ? 2.685 -4.445 11.726 1.00 11.53 ? 542 PHE A CE1 1 ATOM 1511 C CE2 . PHE A 1 201 ? 3.191 -6.371 13.044 1.00 12.12 ? 542 PHE A CE2 1 ATOM 1512 C CZ . PHE A 1 201 ? 2.278 -5.604 12.359 1.00 11.78 ? 542 PHE A CZ 1 ATOM 1513 N N . VAL A 1 202 ? 8.882 -3.274 10.270 1.00 10.16 ? 543 VAL A N 1 ATOM 1514 C CA . VAL A 1 202 ? 10.237 -2.762 10.107 1.00 9.95 ? 543 VAL A CA 1 ATOM 1515 C C . VAL A 1 202 ? 10.173 -1.367 9.555 1.00 10.32 ? 543 VAL A C 1 ATOM 1516 O O . VAL A 1 202 ? 9.204 -0.653 9.780 1.00 10.84 ? 543 VAL A O 1 ATOM 1517 C CB . VAL A 1 202 ? 11.074 -3.708 9.193 1.00 10.03 ? 543 VAL A CB 1 ATOM 1518 C CG1 . VAL A 1 202 ? 11.303 -5.045 9.885 1.00 10.22 ? 543 VAL A CG1 1 ATOM 1519 C CG2 . VAL A 1 202 ? 10.378 -3.917 7.852 1.00 10.34 ? 543 VAL A CG2 1 ATOM 1520 N N . LYS A 1 203 ? 11.202 -0.997 8.830 1.00 10.92 ? 544 LYS A N 1 ATOM 1521 C CA . LYS A 1 203 ? 11.243 0.313 8.173 1.00 11.36 ? 544 LYS A CA 1 ATOM 1522 C C . LYS A 1 203 ? 11.422 0.142 6.667 1.00 11.79 ? 544 LYS A C 1 ATOM 1523 O O . LYS A 1 203 ? 11.869 -0.908 6.190 1.00 11.80 ? 544 LYS A O 1 ATOM 1524 C CB . LYS A 1 203 ? 12.290 1.221 8.780 1.00 11.57 ? 544 LYS A CB 1 ATOM 1525 C CG . LYS A 1 203 ? 13.706 0.974 8.301 1.00 11.79 ? 544 LYS A CG 1 ATOM 1526 C CD . LYS A 1 203 ? 14.714 1.687 9.181 1.00 12.41 ? 544 LYS A CD 1 ATOM 1527 C CE . LYS A 1 203 ? 16.078 1.034 9.103 1.00 11.97 ? 544 LYS A CE 1 ATOM 1528 N NZ . LYS A 1 203 ? 17.142 1.928 9.625 1.00 13.01 ? 544 LYS A NZ 1 ATOM 1529 N N . ASN A 1 204 ? 11.071 1.194 5.944 1.00 12.40 ? 545 ASN A N 1 ATOM 1530 C CA . ASN A 1 204 ? 11.165 1.155 4.494 1.00 13.28 ? 545 ASN A CA 1 ATOM 1531 C C . ASN A 1 204 ? 12.540 0.696 4.016 1.00 13.28 ? 545 ASN A C 1 ATOM 1532 O O . ASN A 1 204 ? 12.658 -0.125 3.102 1.00 13.67 ? 545 ASN A O 1 ATOM 1533 C CB . ASN A 1 204 ? 10.815 2.523 3.915 1.00 13.72 ? 545 ASN A CB 1 ATOM 1534 C CG . ASN A 1 204 ? 11.304 2.694 2.502 1.00 15.13 ? 545 ASN A CG 1 ATOM 1535 O OD1 . ASN A 1 204 ? 10.834 2.042 1.575 1.00 15.41 ? 545 ASN A OD1 1 ATOM 1536 N ND2 . ASN A 1 204 ? 12.278 3.570 2.324 1.00 17.74 ? 545 ASN A ND2 1 ATOM 1537 N N . ASP A 1 205 ? 13.591 1.240 4.614 1.00 12.84 ? 546 ASP A N 1 ATOM 1538 C CA . ASP A 1 205 ? 14.940 0.975 4.141 1.00 13.25 ? 546 ASP A CA 1 ATOM 1539 C C . ASP A 1 205 ? 15.248 -0.505 4.167 1.00 13.18 ? 546 ASP A C 1 ATOM 1540 O O . ASP A 1 205 ? 15.939 -1.008 3.292 1.00 14.03 ? 546 ASP A O 1 ATOM 1541 C CB . ASP A 1 205 ? 15.953 1.737 4.992 1.00 13.38 ? 546 ASP A CB 1 ATOM 1542 C CG . ASP A 1 205 ? 15.630 3.205 5.079 1.00 15.20 ? 546 ASP A CG 1 ATOM 1543 O OD1 . ASP A 1 205 ? 14.970 3.600 6.063 1.00 18.20 ? 546 ASP A OD1 1 ATOM 1544 O OD2 . ASP A 1 205 ? 15.998 3.953 4.148 1.00 18.13 ? 546 ASP A OD2 1 ATOM 1545 N N . THR A 1 206 ? 14.742 -1.200 5.180 1.00 12.69 ? 547 THR A N 1 ATOM 1546 C CA . THR A 1 206 ? 15.038 -2.615 5.362 1.00 12.58 ? 547 THR A CA 1 ATOM 1547 C C . THR A 1 206 ? 14.632 -3.422 4.152 1.00 12.88 ? 547 THR A C 1 ATOM 1548 O O . THR A 1 206 ? 15.346 -4.327 3.726 1.00 12.59 ? 547 THR A O 1 ATOM 1549 C CB . THR A 1 206 ? 14.302 -3.156 6.585 1.00 12.69 ? 547 THR A CB 1 ATOM 1550 O OG1 . THR A 1 206 ? 14.597 -2.306 7.701 1.00 12.23 ? 547 THR A OG1 1 ATOM 1551 C CG2 . THR A 1 206 ? 14.741 -4.586 6.899 1.00 12.24 ? 547 THR A CG2 1 ATOM 1552 N N . VAL A 1 207 ? 13.467 -3.106 3.607 1.00 13.03 ? 548 VAL A N 1 ATOM 1553 C CA . VAL A 1 207 ? 12.971 -3.852 2.466 1.00 14.14 ? 548 VAL A CA 1 ATOM 1554 C C . VAL A 1 207 ? 13.923 -3.675 1.286 1.00 14.76 ? 548 VAL A C 1 ATOM 1555 O O . VAL A 1 207 ? 14.311 -4.638 0.647 1.00 15.24 ? 548 VAL A O 1 ATOM 1556 C CB . VAL A 1 207 ? 11.557 -3.417 2.096 1.00 14.15 ? 548 VAL A CB 1 ATOM 1557 C CG1 . VAL A 1 207 ? 11.079 -4.188 0.874 1.00 15.14 ? 548 VAL A CG1 1 ATOM 1558 C CG2 . VAL A 1 207 ? 10.630 -3.638 3.280 1.00 14.36 ? 548 VAL A CG2 1 ATOM 1559 N N . TRP A 1 208 ? 14.317 -2.438 1.026 1.00 15.30 ? 549 TRP A N 1 ATOM 1560 C CA . TRP A 1 208 ? 15.178 -2.127 -0.106 1.00 15.92 ? 549 TRP A CA 1 ATOM 1561 C C . TRP A 1 208 ? 16.586 -2.680 0.050 1.00 16.14 ? 549 TRP A C 1 ATOM 1562 O O . TRP A 1 208 ? 17.205 -3.123 -0.919 1.00 15.79 ? 549 TRP A O 1 ATOM 1563 C CB . TRP A 1 208 ? 15.210 -0.614 -0.314 1.00 16.17 ? 549 TRP A CB 1 ATOM 1564 C CG . TRP A 1 208 ? 13.911 -0.114 -0.838 1.00 17.41 ? 549 TRP A CG 1 ATOM 1565 C CD1 . TRP A 1 208 ? 12.763 0.089 -0.133 1.00 18.90 ? 549 TRP A CD1 1 ATOM 1566 C CD2 . TRP A 1 208 ? 13.612 0.209 -2.198 1.00 19.82 ? 549 TRP A CD2 1 ATOM 1567 N NE1 . TRP A 1 208 ? 11.766 0.524 -0.971 1.00 20.79 ? 549 TRP A NE1 1 ATOM 1568 C CE2 . TRP A 1 208 ? 12.264 0.608 -2.245 1.00 20.66 ? 549 TRP A CE2 1 ATOM 1569 C CE3 . TRP A 1 208 ? 14.358 0.204 -3.378 1.00 20.93 ? 549 TRP A CE3 1 ATOM 1570 C CZ2 . TRP A 1 208 ? 11.646 1.001 -3.428 1.00 22.76 ? 549 TRP A CZ2 1 ATOM 1571 C CZ3 . TRP A 1 208 ? 13.743 0.590 -4.549 1.00 22.35 ? 549 TRP A CZ3 1 ATOM 1572 C CH2 . TRP A 1 208 ? 12.402 0.986 -4.566 1.00 22.89 ? 549 TRP A CH2 1 ATOM 1573 N N . GLU A 1 209 ? 17.086 -2.677 1.278 1.00 16.32 ? 550 GLU A N 1 ATOM 1574 C CA . GLU A 1 209 ? 18.468 -3.062 1.523 1.00 17.47 ? 550 GLU A CA 1 ATOM 1575 C C . GLU A 1 209 ? 18.676 -4.572 1.494 1.00 17.68 ? 550 GLU A C 1 ATOM 1576 O O . GLU A 1 209 ? 19.812 -5.045 1.473 1.00 17.71 ? 550 GLU A O 1 ATOM 1577 C CB . GLU A 1 209 ? 18.962 -2.455 2.841 1.00 18.26 ? 550 GLU A CB 1 ATOM 1578 C CG . GLU A 1 209 ? 19.152 -0.949 2.756 1.00 20.86 ? 550 GLU A CG 1 ATOM 1579 C CD . GLU A 1 209 ? 19.406 -0.300 4.103 1.00 24.06 ? 550 GLU A CD 1 ATOM 1580 O OE1 . GLU A 1 209 ? 19.804 -1.013 5.047 1.00 24.88 ? 550 GLU A OE1 1 ATOM 1581 O OE2 . GLU A 1 209 ? 19.201 0.930 4.212 1.00 26.69 ? 550 GLU A OE2 1 ATOM 1582 N N . ASN A 1 210 ? 17.584 -5.328 1.478 1.00 17.52 ? 551 ASN A N 1 ATOM 1583 C CA . ASN A 1 210 ? 17.676 -6.784 1.515 1.00 18.07 ? 551 ASN A CA 1 ATOM 1584 C C . ASN A 1 210 ? 16.964 -7.464 0.356 1.00 17.90 ? 551 ASN A C 1 ATOM 1585 O O . ASN A 1 210 ? 16.613 -8.639 0.439 1.00 17.95 ? 551 ASN A O 1 ATOM 1586 C CB . ASN A 1 210 ? 17.141 -7.312 2.845 1.00 18.42 ? 551 ASN A CB 1 ATOM 1587 C CG . ASN A 1 210 ? 18.003 -6.893 4.012 1.00 19.65 ? 551 ASN A CG 1 ATOM 1588 O OD1 . ASN A 1 210 ? 19.061 -7.471 4.254 1.00 21.32 ? 551 ASN A OD1 1 ATOM 1589 N ND2 . ASN A 1 210 ? 17.566 -5.870 4.736 1.00 20.33 ? 551 ASN A ND2 1 ATOM 1590 N N . THR A 1 211 ? 16.754 -6.714 -0.721 1.00 17.59 ? 552 THR A N 1 ATOM 1591 C CA . THR A 1 211 ? 16.125 -7.245 -1.927 1.00 17.77 ? 552 THR A CA 1 ATOM 1592 C C . THR A 1 211 ? 16.916 -6.830 -3.162 1.00 18.60 ? 552 THR A C 1 ATOM 1593 O O . THR A 1 211 ? 17.780 -5.950 -3.103 1.00 18.30 ? 552 THR A O 1 ATOM 1594 C CB . THR A 1 211 ? 14.703 -6.701 -2.097 1.00 17.07 ? 552 THR A CB 1 ATOM 1595 O OG1 . THR A 1 211 ? 14.726 -5.279 -1.928 1.00 16.68 ? 552 THR A OG1 1 ATOM 1596 C CG2 . THR A 1 211 ? 13.742 -7.311 -1.069 1.00 16.51 ? 552 THR A CG2 1 ATOM 1597 N N . ASN A 1 212 ? 16.614 -7.483 -4.280 1.00 19.52 ? 553 ASN A N 1 ATOM 1598 C CA . ASN A 1 212 ? 17.192 -7.130 -5.580 1.00 20.83 ? 553 ASN A CA 1 ATOM 1599 C C . ASN A 1 212 ? 18.713 -7.049 -5.583 1.00 21.52 ? 553 ASN A C 1 ATOM 1600 O O . ASN A 1 212 ? 19.289 -6.156 -6.207 1.00 21.71 ? 553 ASN A O 1 ATOM 1601 C CB . ASN A 1 212 ? 16.598 -5.816 -6.090 1.00 21.06 ? 553 ASN A CB 1 ATOM 1602 C CG . ASN A 1 212 ? 15.113 -5.922 -6.394 1.00 21.85 ? 553 ASN A CG 1 ATOM 1603 O OD1 . ASN A 1 212 ? 14.361 -6.559 -5.657 1.00 23.59 ? 553 ASN A OD1 1 ATOM 1604 N ND2 . ASN A 1 212 ? 14.683 -5.292 -7.480 1.00 23.15 ? 553 ASN A ND2 1 ATOM 1605 N N . GLY A 1 213 ? 19.357 -7.971 -4.875 1.00 21.89 ? 554 GLY A N 1 ATOM 1606 C CA . GLY A 1 213 ? 20.811 -8.047 -4.856 1.00 22.93 ? 554 GLY A CA 1 ATOM 1607 C C . GLY A 1 213 ? 21.500 -7.131 -3.865 1.00 23.34 ? 554 GLY A C 1 ATOM 1608 O O . GLY A 1 213 ? 22.716 -7.213 -3.686 1.00 23.65 ? 554 GLY A O 1 ATOM 1609 N N . GLU A 1 214 ? 20.739 -6.256 -3.213 1.00 23.55 ? 555 GLU A N 1 ATOM 1610 C CA . GLU A 1 214 ? 21.340 -5.325 -2.263 1.00 24.08 ? 555 GLU A CA 1 ATOM 1611 C C . GLU A 1 214 ? 21.972 -6.060 -1.085 1.00 24.31 ? 555 GLU A C 1 ATOM 1612 O O . GLU A 1 214 ? 22.906 -5.555 -0.459 1.00 24.67 ? 555 GLU A O 1 ATOM 1613 C CB . GLU A 1 214 ? 20.319 -4.298 -1.778 1.00 24.06 ? 555 GLU A CB 1 ATOM 1614 C CG . GLU A 1 214 ? 19.865 -3.332 -2.852 1.00 24.62 ? 555 GLU A CG 1 ATOM 1615 C CD . GLU A 1 214 ? 20.993 -2.459 -3.370 1.00 26.54 ? 555 GLU A CD 1 ATOM 1616 O OE1 . GLU A 1 214 ? 21.689 -1.826 -2.548 1.00 26.13 ? 555 GLU A OE1 1 ATOM 1617 O OE2 . GLU A 1 214 ? 21.176 -2.397 -4.605 1.00 28.31 ? 555 GLU A OE2 1 ATOM 1618 N N . SER A 1 215 ? 21.458 -7.250 -0.787 1.00 24.76 ? 556 SER A N 1 ATOM 1619 C CA . SER A 1 215 ? 22.078 -8.130 0.200 1.00 25.43 ? 556 SER A CA 1 ATOM 1620 C C . SER A 1 215 ? 22.510 -9.432 -0.463 1.00 25.87 ? 556 SER A C 1 ATOM 1621 O O . SER A 1 215 ? 21.760 -10.010 -1.244 1.00 25.84 ? 556 SER A O 1 ATOM 1622 C CB . SER A 1 215 ? 21.114 -8.439 1.345 1.00 25.03 ? 556 SER A CB 1 ATOM 1623 O OG . SER A 1 215 ? 21.536 -9.607 2.044 1.00 26.12 ? 556 SER A OG 1 ATOM 1624 N N . THR A 1 216 ? 23.722 -9.883 -0.158 1.00 26.59 ? 557 THR A N 1 ATOM 1625 C CA . THR A 1 216 ? 24.244 -11.115 -0.739 1.00 27.19 ? 557 THR A CA 1 ATOM 1626 C C . THR A 1 216 ? 24.007 -12.305 0.181 1.00 27.32 ? 557 THR A C 1 ATOM 1627 O O . THR A 1 216 ? 24.422 -13.425 -0.115 1.00 27.58 ? 557 THR A O 1 ATOM 1628 C CB . THR A 1 216 ? 25.747 -11.004 -1.045 1.00 27.32 ? 557 THR A CB 1 ATOM 1629 O OG1 . THR A 1 216 ? 26.446 -10.590 0.134 1.00 28.34 ? 557 THR A OG1 1 ATOM 1630 C CG2 . THR A 1 216 ? 25.989 -9.990 -2.152 1.00 27.65 ? 557 THR A CG2 1 ATOM 1631 N N . ALA A 1 217 ? 23.326 -12.058 1.297 1.00 27.34 ? 558 ALA A N 1 ATOM 1632 C CA . ALA A 1 217 ? 23.010 -13.115 2.255 1.00 27.31 ? 558 ALA A CA 1 ATOM 1633 C C . ALA A 1 217 ? 22.182 -14.229 1.618 1.00 27.08 ? 558 ALA A C 1 ATOM 1634 O O . ALA A 1 217 ? 21.329 -13.973 0.773 1.00 26.87 ? 558 ALA A O 1 ATOM 1635 C CB . ALA A 1 217 ? 22.281 -12.531 3.457 1.00 27.40 ? 558 ALA A CB 1 ATOM 1636 N N . ASP A 1 218 ? 22.442 -15.466 2.030 1.00 27.25 ? 559 ASP A N 1 ATOM 1637 C CA . ASP A 1 218 ? 21.778 -16.619 1.439 1.00 27.32 ? 559 ASP A CA 1 ATOM 1638 C C . ASP A 1 218 ? 20.263 -16.470 1.448 1.00 26.54 ? 559 ASP A C 1 ATOM 1639 O O . ASP A 1 218 ? 19.588 -16.862 0.496 1.00 26.57 ? 559 ASP A O 1 ATOM 1640 C CB . ASP A 1 218 ? 22.179 -17.904 2.168 1.00 28.01 ? 559 ASP A CB 1 ATOM 1641 C CG . ASP A 1 218 ? 21.574 -19.143 1.538 1.00 29.94 ? 559 ASP A CG 1 ATOM 1642 O OD1 . ASP A 1 218 ? 21.801 -19.366 0.329 1.00 32.60 ? 559 ASP A OD1 1 ATOM 1643 O OD2 . ASP A 1 218 ? 20.876 -19.896 2.251 1.00 32.81 ? 559 ASP A OD2 1 ATOM 1644 N N . TRP A 1 219 ? 19.727 -15.911 2.532 1.00 25.62 ? 560 TRP A N 1 ATOM 1645 C CA . TRP A 1 219 ? 18.276 -15.835 2.695 1.00 24.67 ? 560 TRP A CA 1 ATOM 1646 C C . TRP A 1 219 ? 17.703 -14.666 1.914 1.00 24.18 ? 560 TRP A C 1 ATOM 1647 O O . TRP A 1 219 ? 16.529 -14.668 1.553 1.00 24.25 ? 560 TRP A O 1 ATOM 1648 C CB . TRP A 1 219 ? 17.896 -15.698 4.171 1.00 24.58 ? 560 TRP A CB 1 ATOM 1649 C CG . TRP A 1 219 ? 18.355 -14.411 4.788 1.00 23.08 ? 560 TRP A CG 1 ATOM 1650 C CD1 . TRP A 1 219 ? 19.529 -14.187 5.444 1.00 22.49 ? 560 TRP A CD1 1 ATOM 1651 C CD2 . TRP A 1 219 ? 17.645 -13.163 4.802 1.00 21.60 ? 560 TRP A CD2 1 ATOM 1652 N NE1 . TRP A 1 219 ? 19.597 -12.884 5.864 1.00 23.07 ? 560 TRP A NE1 1 ATOM 1653 C CE2 . TRP A 1 219 ? 18.452 -12.234 5.484 1.00 22.12 ? 560 TRP A CE2 1 ATOM 1654 C CE3 . TRP A 1 219 ? 16.404 -12.747 4.309 1.00 20.56 ? 560 TRP A CE3 1 ATOM 1655 C CZ2 . TRP A 1 219 ? 18.063 -10.911 5.685 1.00 21.34 ? 560 TRP A CZ2 1 ATOM 1656 C CZ3 . TRP A 1 219 ? 16.019 -11.426 4.508 1.00 20.03 ? 560 TRP A CZ3 1 ATOM 1657 C CH2 . TRP A 1 219 ? 16.844 -10.528 5.191 1.00 20.68 ? 560 TRP A CH2 1 ATOM 1658 N N . ALA A 1 220 ? 18.558 -13.688 1.636 1.00 23.88 ? 561 ALA A N 1 ATOM 1659 C CA . ALA A 1 220 ? 18.122 -12.451 0.985 1.00 23.51 ? 561 ALA A CA 1 ATOM 1660 C C . ALA A 1 220 ? 18.508 -12.371 -0.478 1.00 23.52 ? 561 ALA A C 1 ATOM 1661 O O . ALA A 1 220 ? 17.894 -11.642 -1.246 1.00 22.84 ? 561 ALA A O 1 ATOM 1662 C CB . ALA A 1 220 ? 18.706 -11.267 1.702 1.00 23.56 ? 561 ALA A CB 1 ATOM 1663 N N . LYS A 1 221 ? 19.547 -13.101 -0.848 1.00 23.72 ? 562 LYS A N 1 ATOM 1664 C CA . LYS A 1 221 ? 20.195 -12.891 -2.131 1.00 23.93 ? 562 LYS A CA 1 ATOM 1665 C C . LYS A 1 221 ? 19.239 -13.012 -3.305 1.00 23.78 ? 562 LYS A C 1 ATOM 1666 O O . LYS A 1 221 ? 19.432 -12.366 -4.334 1.00 24.05 ? 562 LYS A O 1 ATOM 1667 C CB . LYS A 1 221 ? 21.366 -13.860 -2.303 1.00 23.98 ? 562 LYS A CB 1 ATOM 1668 C CG . LYS A 1 221 ? 20.931 -15.295 -2.503 1.00 24.76 ? 562 LYS A CG 1 ATOM 1669 C CD . LYS A 1 221 ? 22.114 -16.248 -2.489 1.00 25.78 ? 562 LYS A CD 1 ATOM 1670 C CE . LYS A 1 221 ? 21.634 -17.681 -2.599 1.00 26.25 ? 562 LYS A CE 1 ATOM 1671 N NZ . LYS A 1 221 ? 22.764 -18.651 -2.562 1.00 27.34 ? 562 LYS A NZ 1 ATOM 1672 N N . ASN A 1 222 ? 18.210 -13.838 -3.153 1.00 23.61 ? 563 ASN A N 1 ATOM 1673 C CA . ASN A 1 222 ? 17.281 -14.113 -4.244 1.00 23.48 ? 563 ASN A CA 1 ATOM 1674 C C . ASN A 1 222 ? 15.924 -13.405 -4.071 1.00 23.09 ? 563 ASN A C 1 ATOM 1675 O O . ASN A 1 222 ? 14.981 -13.639 -4.825 1.00 23.16 ? 563 ASN A O 1 ATOM 1676 C CB . ASN A 1 222 ? 17.114 -15.634 -4.411 1.00 23.81 ? 563 ASN A CB 1 ATOM 1677 C CG . ASN A 1 222 ? 16.734 -16.040 -5.828 1.00 24.70 ? 563 ASN A CG 1 ATOM 1678 O OD1 . ASN A 1 222 ? 17.109 -15.385 -6.798 1.00 25.41 ? 563 ASN A OD1 1 ATOM 1679 N ND2 . ASN A 1 222 ? 15.975 -17.122 -5.944 1.00 26.30 ? 563 ASN A ND2 1 ATOM 1680 N N . LEU A 1 223 ? 15.805 -12.496 -3.113 1.00 22.09 ? 564 LEU A N 1 ATOM 1681 C CA . LEU A 1 223 ? 14.531 -11.831 -2.902 1.00 21.58 ? 564 LEU A CA 1 ATOM 1682 C C . LEU A 1 223 ? 14.285 -10.672 -3.850 1.00 21.53 ? 564 LEU A C 1 ATOM 1683 O O . LEU A 1 223 ? 15.162 -9.957 -4.117 1.00 21.54 ? 564 LEU A O 1 ATOM 1684 C CB . LEU A 1 223 ? 14.449 -11.277 -1.464 1.00 21.14 ? 564 LEU A CB 1 ATOM 1685 C CG . LEU A 1 223 ? 14.572 -12.304 -0.355 1.00 20.31 ? 564 LEU A CG 1 ATOM 1686 C CD1 . LEU A 1 223 ? 14.583 -11.568 0.975 1.00 19.01 ? 564 LEU A CD1 1 ATOM 1687 C CD2 . LEU A 1 223 ? 13.420 -13.285 -0.398 1.00 20.28 ? 564 LEU A CD2 1 ATOM 1688 N N . LYS A 1 224 ? 13.058 -10.516 -4.317 1.00 21.67 ? 565 LYS A N 1 ATOM 1689 C CA . LYS A 1 224 ? 12.699 -9.438 -5.207 1.00 22.18 ? 565 LYS A CA 1 ATOM 1690 C C . LYS A 1 224 ? 11.678 -8.534 -4.573 1.00 21.79 ? 565 LYS A C 1 ATOM 1691 O O . LYS A 1 224 ? 10.774 -8.971 -4.019 1.00 21.34 ? 565 LYS A O 1 ATOM 1692 C CB . LYS A 1 224 ? 12.255 -9.939 -6.606 1.00 22.44 ? 565 LYS A CB 1 ATOM 1693 C CG . LYS A 1 224 ? 11.440 -8.937 -7.459 1.00 24.60 ? 565 LYS A CG 1 ATOM 1694 C CD . LYS A 1 224 ? 12.089 -7.629 -7.777 1.00 26.13 ? 565 LYS A CD 1 ATOM 1695 C CE . LYS A 1 224 ? 11.161 -6.530 -8.190 1.00 27.73 ? 565 LYS A CE 1 ATOM 1696 N NZ . LYS A 1 224 ? 11.700 -5.188 -8.278 1.00 28.96 ? 565 LYS A NZ 1 ATOM 1697 N N . ARG A 1 225 ? 11.878 -7.245 -4.706 1.00 22.12 ? 566 ARG A N 1 ATOM 1698 C CA . ARG A 1 225 ? 10.981 -6.245 -4.183 1.00 22.43 ? 566 ARG A CA 1 ATOM 1699 C C . ARG A 1 225 ? 9.546 -6.418 -4.584 1.00 22.48 ? 566 ARG A C 1 ATOM 1700 O O . ARG A 1 225 ? 8.668 -6.097 -3.879 1.00 22.31 ? 566 ARG A O 1 ATOM 1701 C CB . ARG A 1 225 ? 11.388 -4.882 -4.711 1.00 22.85 ? 566 ARG A CB 1 ATOM 1702 C CG . ARG A 1 225 ? 11.949 -4.019 -3.733 1.00 23.52 ? 566 ARG A CG 1 ATOM 1703 C CD . ARG A 1 225 ? 12.866 -2.996 -4.313 1.00 23.48 ? 566 ARG A CD 1 ATOM 1704 N NE . ARG A 1 225 ? 14.222 -3.164 -3.840 1.00 23.76 ? 566 ARG A NE 1 ATOM 1705 C CZ . ARG A 1 225 ? 15.295 -2.721 -4.445 1.00 24.12 ? 566 ARG A CZ 1 ATOM 1706 N NH1 . ARG A 1 225 ? 15.189 -2.069 -5.589 1.00 22.95 ? 566 ARG A NH1 1 ATOM 1707 N NH2 . ARG A 1 225 ? 16.469 -2.914 -3.913 1.00 24.31 ? 566 ARG A NH2 1 ATOM 1708 N N . GLU A 1 226 ? 9.334 -6.861 -5.812 1.00 22.30 ? 567 GLU A N 1 ATOM 1709 C CA . GLU A 1 226 ? 8.008 -6.907 -6.303 1.00 22.25 ? 567 GLU A CA 1 ATOM 1710 C C . GLU A 1 226 ? 7.209 -8.021 -5.656 1.00 21.12 ? 567 GLU A C 1 ATOM 1711 O O . GLU A 1 226 ? 6.051 -8.116 -5.845 1.00 21.39 ? 567 GLU A O 1 ATOM 1712 C CB . GLU A 1 226 ? 7.978 -7.052 -7.798 1.00 22.74 ? 567 GLU A CB 1 ATOM 1713 C CG . GLU A 1 226 ? 7.269 -5.914 -8.523 1.00 25.55 ? 567 GLU A CG 1 ATOM 1714 C CD . GLU A 1 226 ? 5.807 -5.783 -8.159 1.00 27.52 ? 567 GLU A CD 1 ATOM 1715 O OE1 . GLU A 1 226 ? 5.023 -6.729 -8.369 1.00 29.65 ? 567 GLU A OE1 1 ATOM 1716 O OE2 . GLU A 1 226 ? 5.462 -4.717 -7.667 1.00 29.64 ? 567 GLU A OE2 1 ATOM 1717 N N . ASP A 1 227 ? 7.892 -8.843 -4.897 1.00 19.98 ? 568 ASP A N 1 ATOM 1718 C CA . ASP A 1 227 ? 7.262 -9.946 -4.179 1.00 18.88 ? 568 ASP A CA 1 ATOM 1719 C C . ASP A 1 227 ? 6.771 -9.507 -2.808 1.00 17.63 ? 568 ASP A C 1 ATOM 1720 O O . ASP A 1 227 ? 6.255 -10.316 -2.037 1.00 16.26 ? 568 ASP A O 1 ATOM 1721 C CB . ASP A 1 227 ? 8.228 -11.120 -4.034 1.00 19.54 ? 568 ASP A CB 1 ATOM 1722 C CG . ASP A 1 227 ? 8.443 -11.856 -5.340 1.00 20.99 ? 568 ASP A CG 1 ATOM 1723 O OD1 . ASP A 1 227 ? 7.520 -11.850 -6.178 1.00 23.82 ? 568 ASP A OD1 1 ATOM 1724 O OD2 . ASP A 1 227 ? 9.528 -12.436 -5.526 1.00 23.55 ? 568 ASP A OD2 1 ATOM 1725 N N . PHE A 1 228 ? 6.938 -8.223 -2.508 1.00 16.56 ? 569 PHE A N 1 ATOM 1726 C CA . PHE A 1 228 ? 6.486 -7.691 -1.232 1.00 15.69 ? 569 PHE A CA 1 ATOM 1727 C C . PHE A 1 228 ? 5.499 -6.558 -1.419 1.00 15.46 ? 569 PHE A C 1 ATOM 1728 O O . PHE A 1 228 ? 5.490 -5.904 -2.463 1.00 16.00 ? 569 PHE A O 1 ATOM 1729 C CB . PHE A 1 228 ? 7.690 -7.213 -0.429 1.00 15.32 ? 569 PHE A CB 1 ATOM 1730 C CG . PHE A 1 228 ? 8.625 -8.321 -0.064 1.00 14.50 ? 569 PHE A CG 1 ATOM 1731 C CD1 . PHE A 1 228 ? 8.494 -8.979 1.149 1.00 15.41 ? 569 PHE A CD1 1 ATOM 1732 C CD2 . PHE A 1 228 ? 9.614 -8.732 -0.945 1.00 15.59 ? 569 PHE A CD2 1 ATOM 1733 C CE1 . PHE A 1 228 ? 9.344 -10.014 1.487 1.00 15.35 ? 569 PHE A CE1 1 ATOM 1734 C CE2 . PHE A 1 228 ? 10.464 -9.774 -0.617 1.00 15.87 ? 569 PHE A CE2 1 ATOM 1735 C CZ . PHE A 1 228 ? 10.333 -10.414 0.609 1.00 16.08 ? 569 PHE A CZ 1 ATOM 1736 N N . ARG A 1 229 ? 4.658 -6.349 -0.413 1.00 14.70 ? 570 ARG A N 1 ATOM 1737 C CA . ARG A 1 229 ? 3.722 -5.234 -0.394 1.00 14.70 ? 570 ARG A CA 1 ATOM 1738 C C . ARG A 1 229 ? 3.723 -4.579 0.975 1.00 14.32 ? 570 ARG A C 1 ATOM 1739 O O . ARG A 1 229 ? 3.998 -5.224 1.991 1.00 13.88 ? 570 ARG A O 1 ATOM 1740 C CB . ARG A 1 229 ? 2.300 -5.703 -0.708 1.00 14.89 ? 570 ARG A CB 1 ATOM 1741 C CG . ARG A 1 229 ? 2.088 -6.190 -2.137 1.00 16.34 ? 570 ARG A CG 1 ATOM 1742 C CD . ARG A 1 229 ? 2.118 -5.024 -3.107 1.00 18.43 ? 570 ARG A CD 1 ATOM 1743 N NE . ARG A 1 229 ? 1.953 -5.442 -4.494 1.00 21.04 ? 570 ARG A NE 1 ATOM 1744 C CZ . ARG A 1 229 ? 2.957 -5.582 -5.353 1.00 21.70 ? 570 ARG A CZ 1 ATOM 1745 N NH1 . ARG A 1 229 ? 4.204 -5.341 -4.968 1.00 24.26 ? 570 ARG A NH1 1 ATOM 1746 N NH2 . ARG A 1 229 ? 2.716 -5.962 -6.602 1.00 24.29 ? 570 ARG A NH2 1 ATOM 1747 N N . LEU A 1 230 ? 3.400 -3.295 0.995 1.00 14.26 ? 571 LEU A N 1 ATOM 1748 C CA . LEU A 1 230 ? 3.213 -2.572 2.246 1.00 14.18 ? 571 LEU A CA 1 ATOM 1749 C C . LEU A 1 230 ? 1.736 -2.528 2.589 1.00 14.40 ? 571 LEU A C 1 ATOM 1750 O O . LEU A 1 230 ? 0.889 -2.413 1.698 1.00 14.66 ? 571 LEU A O 1 ATOM 1751 C CB . LEU A 1 230 ? 3.741 -1.150 2.121 1.00 14.08 ? 571 LEU A CB 1 ATOM 1752 C CG . LEU A 1 230 ? 5.183 -0.995 1.656 1.00 14.10 ? 571 LEU A CG 1 ATOM 1753 C CD1 . LEU A 1 230 ? 5.520 0.484 1.562 1.00 14.92 ? 571 LEU A CD1 1 ATOM 1754 C CD2 . LEU A 1 230 ? 6.121 -1.726 2.611 1.00 14.10 ? 571 LEU A CD2 1 ATOM 1755 N N . LEU A 1 231 ? 1.417 -2.588 3.874 1.00 14.36 ? 572 LEU A N 1 ATOM 1756 C CA . LEU A 1 231 ? 0.045 -2.473 4.322 1.00 14.64 ? 572 LEU A CA 1 ATOM 1757 C C . LEU A 1 231 ? -0.199 -1.041 4.748 1.00 15.39 ? 572 LEU A C 1 ATOM 1758 O O . LEU A 1 231 ? 0.463 -0.536 5.647 1.00 15.21 ? 572 LEU A O 1 ATOM 1759 C CB . LEU A 1 231 ? -0.240 -3.405 5.523 1.00 14.44 ? 572 LEU A CB 1 ATOM 1760 C CG . LEU A 1 231 ? 0.002 -4.888 5.296 1.00 14.29 ? 572 LEU A CG 1 ATOM 1761 C CD1 . LEU A 1 231 ? -0.513 -5.722 6.463 1.00 15.09 ? 572 LEU A CD1 1 ATOM 1762 C CD2 . LEU A 1 231 ? -0.664 -5.330 4.001 1.00 14.75 ? 572 LEU A CD2 1 ATOM 1763 N N . CYS A 1 232 ? -1.162 -0.381 4.121 1.00 16.00 ? 573 CYS A N 1 ATOM 1764 C CA . CYS A 1 232 ? -1.483 0.985 4.490 1.00 16.73 ? 573 CYS A CA 1 ATOM 1765 C C . CYS A 1 232 ? -2.588 0.984 5.542 1.00 16.98 ? 573 CYS A C 1 ATOM 1766 O O . CYS A 1 232 ? -3.399 0.057 5.607 1.00 17.03 ? 573 CYS A O 1 ATOM 1767 C CB . CYS A 1 232 ? -1.905 1.787 3.259 1.00 17.06 ? 573 CYS A CB 1 ATOM 1768 S SG . CYS A 1 232 ? -0.956 1.451 1.764 1.00 18.79 ? 573 CYS A SG 1 ATOM 1769 N N . LEU A 1 233 ? -2.612 2.012 6.382 1.00 17.82 ? 574 LEU A N 1 ATOM 1770 C CA . LEU A 1 233 ? -3.594 2.064 7.457 1.00 18.67 ? 574 LEU A CA 1 ATOM 1771 C C . LEU A 1 233 ? -5.032 2.146 6.947 1.00 19.20 ? 574 LEU A C 1 ATOM 1772 O O . LEU A 1 233 ? -5.961 1.788 7.662 1.00 19.70 ? 574 LEU A O 1 ATOM 1773 C CB . LEU A 1 233 ? -3.289 3.216 8.418 1.00 18.51 ? 574 LEU A CB 1 ATOM 1774 C CG . LEU A 1 233 ? -2.090 2.984 9.343 1.00 18.77 ? 574 LEU A CG 1 ATOM 1775 C CD1 . LEU A 1 233 ? -1.778 4.242 10.133 1.00 19.53 ? 574 LEU A CD1 1 ATOM 1776 C CD2 . LEU A 1 233 ? -2.355 1.816 10.275 1.00 20.12 ? 574 LEU A CD2 1 ATOM 1777 N N . ASP A 1 234 ? -5.211 2.611 5.717 1.00 19.80 ? 575 ASP A N 1 ATOM 1778 C CA . ASP A 1 234 ? -6.552 2.681 5.141 1.00 20.38 ? 575 ASP A CA 1 ATOM 1779 C C . ASP A 1 234 ? -7.021 1.348 4.567 1.00 20.66 ? 575 ASP A C 1 ATOM 1780 O O . ASP A 1 234 ? -8.071 1.275 3.930 1.00 21.29 ? 575 ASP A O 1 ATOM 1781 C CB . ASP A 1 234 ? -6.639 3.777 4.079 1.00 20.53 ? 575 ASP A CB 1 ATOM 1782 C CG . ASP A 1 234 ? -5.836 3.457 2.835 1.00 21.25 ? 575 ASP A CG 1 ATOM 1783 O OD1 . ASP A 1 234 ? -5.221 2.369 2.768 1.00 21.47 ? 575 ASP A OD1 1 ATOM 1784 O OD2 . ASP A 1 234 ? -5.827 4.297 1.913 1.00 23.81 ? 575 ASP A OD2 1 ATOM 1785 N N . GLY A 1 235 ? -6.249 0.293 4.791 1.00 20.38 ? 576 GLY A N 1 ATOM 1786 C CA . GLY A 1 235 ? -6.666 -1.044 4.397 1.00 20.32 ? 576 GLY A CA 1 ATOM 1787 C C . GLY A 1 235 ? -6.222 -1.477 3.013 1.00 19.92 ? 576 GLY A C 1 ATOM 1788 O O . GLY A 1 235 ? -6.549 -2.581 2.582 1.00 20.47 ? 576 GLY A O 1 ATOM 1789 N N . THR A 1 236 ? -5.483 -0.616 2.312 1.00 19.74 ? 577 THR A N 1 ATOM 1790 C CA . THR A 1 236 ? -4.958 -0.947 0.991 1.00 19.62 ? 577 THR A CA 1 ATOM 1791 C C . THR A 1 236 ? -3.568 -1.586 1.063 1.00 19.23 ? 577 THR A C 1 ATOM 1792 O O . THR A 1 236 ? -2.923 -1.580 2.117 1.00 18.73 ? 577 THR A O 1 ATOM 1793 C CB . THR A 1 236 ? -4.906 0.289 0.067 1.00 19.90 ? 577 THR A CB 1 ATOM 1794 O OG1 . THR A 1 236 ? -4.045 1.288 0.628 1.00 20.44 ? 577 THR A OG1 1 ATOM 1795 C CG2 . THR A 1 236 ? -6.309 0.868 -0.124 1.00 20.76 ? 577 THR A CG2 1 ATOM 1796 N N . ARG A 1 237 ? -3.126 -2.141 -0.061 1.00 18.77 ? 578 ARG A N 1 ATOM 1797 C CA . ARG A 1 237 ? -1.798 -2.721 -0.196 1.00 18.58 ? 578 ARG A CA 1 ATOM 1798 C C . ARG A 1 237 ? -1.072 -1.980 -1.303 1.00 18.59 ? 578 ARG A C 1 ATOM 1799 O O . ARG A 1 237 ? -1.656 -1.692 -2.347 1.00 18.88 ? 578 ARG A O 1 ATOM 1800 C CB . ARG A 1 237 ? -1.905 -4.194 -0.584 1.00 18.16 ? 578 ARG A CB 1 ATOM 1801 C CG . ARG A 1 237 ? -2.491 -5.100 0.483 1.00 18.36 ? 578 ARG A CG 1 ATOM 1802 C CD . ARG A 1 237 ? -3.091 -6.371 -0.114 1.00 17.91 ? 578 ARG A CD 1 ATOM 1803 N NE . ARG A 1 237 ? -2.155 -7.140 -0.936 1.00 17.43 ? 578 ARG A NE 1 ATOM 1804 C CZ . ARG A 1 237 ? -1.500 -8.224 -0.525 1.00 17.22 ? 578 ARG A CZ 1 ATOM 1805 N NH1 . ARG A 1 237 ? -1.648 -8.670 0.717 1.00 16.20 ? 578 ARG A NH1 1 ATOM 1806 N NH2 . ARG A 1 237 ? -0.691 -8.863 -1.361 1.00 19.07 ? 578 ARG A NH2 1 ATOM 1807 N N . LYS A 1 238 ? 0.199 -1.670 -1.093 1.00 18.03 ? 579 LYS A N 1 ATOM 1808 C CA . LYS A 1 238 ? 0.957 -0.958 -2.109 1.00 18.24 ? 579 LYS A CA 1 ATOM 1809 C C . LYS A 1 238 ? 2.329 -1.549 -2.333 1.00 18.14 ? 579 LYS A C 1 ATOM 1810 O O . LYS A 1 238 ? 2.905 -2.160 -1.434 1.00 17.41 ? 579 LYS A O 1 ATOM 1811 C CB . LYS A 1 238 ? 1.128 0.510 -1.726 1.00 18.35 ? 579 LYS A CB 1 ATOM 1812 C CG . LYS A 1 238 ? -0.150 1.319 -1.706 1.00 20.62 ? 579 LYS A CG 1 ATOM 1813 C CD . LYS A 1 238 ? 0.193 2.801 -1.778 1.00 24.39 ? 579 LYS A CD 1 ATOM 1814 C CE . LYS A 1 238 ? -1.046 3.669 -1.879 1.00 27.06 ? 579 LYS A CE 1 ATOM 1815 N NZ . LYS A 1 238 ? -1.772 3.737 -0.584 1.00 28.78 ? 579 LYS A NZ 1 ATOM 1816 N N . PRO A 1 239 ? 2.873 -1.356 -3.536 1.00 18.12 ? 580 PRO A N 1 ATOM 1817 C CA . PRO A 1 239 ? 4.251 -1.734 -3.788 1.00 18.34 ? 580 PRO A CA 1 ATOM 1818 C C . PRO A 1 239 ? 5.170 -0.993 -2.832 1.00 18.44 ? 580 PRO A C 1 ATOM 1819 O O . PRO A 1 239 ? 4.827 0.077 -2.326 1.00 18.13 ? 580 PRO A O 1 ATOM 1820 C CB . PRO A 1 239 ? 4.487 -1.273 -5.229 1.00 18.37 ? 580 PRO A CB 1 ATOM 1821 C CG . PRO A 1 239 ? 3.124 -1.261 -5.843 1.00 19.04 ? 580 PRO A CG 1 ATOM 1822 C CD . PRO A 1 239 ? 2.204 -0.834 -4.742 1.00 18.39 ? 580 PRO A CD 1 ATOM 1823 N N . VAL A 1 240 ? 6.342 -1.557 -2.601 1.00 18.77 ? 581 VAL A N 1 ATOM 1824 C CA . VAL A 1 240 ? 7.256 -1.010 -1.613 1.00 19.22 ? 581 VAL A CA 1 ATOM 1825 C C . VAL A 1 240 ? 7.928 0.290 -2.075 1.00 19.59 ? 581 VAL A C 1 ATOM 1826 O O . VAL A 1 240 ? 8.723 0.873 -1.343 1.00 20.43 ? 581 VAL A O 1 ATOM 1827 C CB . VAL A 1 240 ? 8.299 -2.069 -1.195 1.00 19.41 ? 581 VAL A CB 1 ATOM 1828 C CG1 . VAL A 1 240 ? 7.599 -3.339 -0.742 1.00 19.19 ? 581 VAL A CG1 1 ATOM 1829 C CG2 . VAL A 1 240 ? 9.231 -2.379 -2.352 1.00 19.68 ? 581 VAL A CG2 1 ATOM 1830 N N . THR A 1 241 ? 7.602 0.732 -3.289 1.00 19.55 ? 582 THR A N 1 ATOM 1831 C CA . THR A 1 241 ? 8.018 2.035 -3.802 1.00 19.95 ? 582 THR A CA 1 ATOM 1832 C C . THR A 1 241 ? 7.148 3.154 -3.234 1.00 19.75 ? 582 THR A C 1 ATOM 1833 O O . THR A 1 241 ? 7.454 4.338 -3.399 1.00 20.11 ? 582 THR A O 1 ATOM 1834 C CB . THR A 1 241 ? 7.886 2.081 -5.338 1.00 19.77 ? 582 THR A CB 1 ATOM 1835 O OG1 . THR A 1 241 ? 6.597 1.576 -5.713 1.00 21.30 ? 582 THR A OG1 1 ATOM 1836 C CG2 . THR A 1 241 ? 8.968 1.240 -5.991 1.00 20.81 ? 582 THR A CG2 1 ATOM 1837 N N . GLU A 1 242 ? 6.054 2.781 -2.578 1.00 19.54 ? 583 GLU A N 1 ATOM 1838 C CA . GLU A 1 242 ? 5.069 3.766 -2.143 1.00 19.43 ? 583 GLU A CA 1 ATOM 1839 C C . GLU A 1 242 ? 5.095 4.028 -0.648 1.00 18.69 ? 583 GLU A C 1 ATOM 1840 O O . GLU A 1 242 ? 4.089 4.432 -0.071 1.00 18.03 ? 583 GLU A O 1 ATOM 1841 C CB . GLU A 1 242 ? 3.667 3.321 -2.550 1.00 20.04 ? 583 GLU A CB 1 ATOM 1842 C CG . GLU A 1 242 ? 3.559 2.999 -4.018 1.00 22.75 ? 583 GLU A CG 1 ATOM 1843 C CD . GLU A 1 242 ? 4.058 4.124 -4.893 1.00 25.66 ? 583 GLU A CD 1 ATOM 1844 O OE1 . GLU A 1 242 ? 5.030 3.897 -5.645 1.00 26.43 ? 583 GLU A OE1 1 ATOM 1845 O OE2 . GLU A 1 242 ? 3.483 5.236 -4.835 1.00 27.32 ? 583 GLU A OE2 1 ATOM 1846 N N . ALA A 1 243 ? 6.243 3.807 -0.021 1.00 17.98 ? 584 ALA A N 1 ATOM 1847 C CA . ALA A 1 243 ? 6.334 3.964 1.426 1.00 17.62 ? 584 ALA A CA 1 ATOM 1848 C C . ALA A 1 243 ? 5.934 5.355 1.909 1.00 17.48 ? 584 ALA A C 1 ATOM 1849 O O . ALA A 1 243 ? 5.360 5.492 2.984 1.00 16.64 ? 584 ALA A O 1 ATOM 1850 C CB . ALA A 1 243 ? 7.723 3.608 1.921 1.00 17.54 ? 584 ALA A CB 1 ATOM 1851 N N . GLN A 1 244 ? 6.220 6.383 1.113 1.00 17.57 ? 585 GLN A N 1 ATOM 1852 C CA . GLN A 1 244 ? 5.929 7.750 1.547 1.00 18.10 ? 585 GLN A CA 1 ATOM 1853 C C . GLN A 1 244 ? 4.429 8.000 1.683 1.00 17.59 ? 585 GLN A C 1 ATOM 1854 O O . GLN A 1 244 ? 4.014 8.941 2.361 1.00 17.64 ? 585 GLN A O 1 ATOM 1855 C CB . GLN A 1 244 ? 6.561 8.787 0.618 1.00 18.49 ? 585 GLN A CB 1 ATOM 1856 C CG . GLN A 1 244 ? 6.578 10.190 1.211 1.00 21.40 ? 585 GLN A CG 1 ATOM 1857 C CD . GLN A 1 244 ? 7.405 10.285 2.477 1.00 24.38 ? 585 GLN A CD 1 ATOM 1858 O OE1 . GLN A 1 244 ? 6.871 10.486 3.568 1.00 27.38 ? 585 GLN A OE1 1 ATOM 1859 N NE2 . GLN A 1 244 ? 8.719 10.144 2.337 1.00 25.91 ? 585 GLN A NE2 1 ATOM 1860 N N . SER A 1 245 ? 3.617 7.162 1.044 1.00 17.47 ? 586 SER A N 1 ATOM 1861 C CA . SER A 1 245 ? 2.161 7.264 1.167 1.00 17.51 ? 586 SER A CA 1 ATOM 1862 C C . SER A 1 245 ? 1.531 6.040 1.817 1.00 17.39 ? 586 SER A C 1 ATOM 1863 O O . SER A 1 245 ? 0.308 5.920 1.878 1.00 17.69 ? 586 SER A O 1 ATOM 1864 C CB . SER A 1 245 ? 1.513 7.520 -0.197 1.00 18.09 ? 586 SER A CB 1 ATOM 1865 O OG . SER A 1 245 ? 1.641 6.392 -1.044 1.00 19.85 ? 586 SER A OG 1 ATOM 1866 N N . CYS A 1 246 ? 2.366 5.138 2.327 1.00 16.19 ? 587 CYS A N 1 ATOM 1867 C CA . CYS A 1 246 ? 1.867 3.899 2.907 1.00 15.75 ? 587 CYS A CA 1 ATOM 1868 C C . CYS A 1 246 ? 2.775 3.423 4.042 1.00 15.38 ? 587 CYS A C 1 ATOM 1869 O O . CYS A 1 246 ? 3.364 2.350 3.977 1.00 15.20 ? 587 CYS A O 1 ATOM 1870 C CB . CYS A 1 246 ? 1.735 2.842 1.814 1.00 16.24 ? 587 CYS A CB 1 ATOM 1871 S SG . CYS A 1 246 ? 0.994 1.302 2.325 1.00 15.78 ? 587 CYS A SG 1 ATOM 1872 N N . HIS A 1 247 ? 2.877 4.247 5.077 1.00 15.01 ? 588 HIS A N 1 ATOM 1873 C CA . HIS A 1 247 ? 3.651 3.904 6.264 1.00 14.37 ? 588 HIS A CA 1 ATOM 1874 C C . HIS A 1 247 ? 2.775 3.994 7.503 1.00 14.35 ? 588 HIS A C 1 ATOM 1875 O O . HIS A 1 247 ? 1.682 4.572 7.479 1.00 14.57 ? 588 HIS A O 1 ATOM 1876 C CB . HIS A 1 247 ? 4.839 4.850 6.413 1.00 14.54 ? 588 HIS A CB 1 ATOM 1877 C CG . HIS A 1 247 ? 4.455 6.292 6.367 1.00 14.75 ? 588 HIS A CG 1 ATOM 1878 N ND1 . HIS A 1 247 ? 4.519 7.035 5.208 1.00 15.46 ? 588 HIS A ND1 1 ATOM 1879 C CD2 . HIS A 1 247 ? 3.962 7.118 7.320 1.00 15.37 ? 588 HIS A CD2 1 ATOM 1880 C CE1 . HIS A 1 247 ? 4.110 8.266 5.455 1.00 15.42 ? 588 HIS A CE1 1 ATOM 1881 N NE2 . HIS A 1 247 ? 3.760 8.342 6.727 1.00 14.24 ? 588 HIS A NE2 1 ATOM 1882 N N . LEU A 1 248 ? 3.259 3.421 8.596 1.00 13.78 ? 589 LEU A N 1 ATOM 1883 C CA . LEU A 1 248 ? 2.547 3.471 9.858 1.00 13.54 ? 589 LEU A CA 1 ATOM 1884 C C . LEU A 1 248 ? 2.883 4.738 10.636 1.00 13.59 ? 589 LEU A C 1 ATOM 1885 O O . LEU A 1 248 ? 2.051 5.261 11.373 1.00 14.39 ? 589 LEU A O 1 ATOM 1886 C CB . LEU A 1 248 ? 2.891 2.245 10.697 1.00 13.50 ? 589 LEU A CB 1 ATOM 1887 C CG . LEU A 1 248 ? 2.587 0.899 10.038 1.00 13.13 ? 589 LEU A CG 1 ATOM 1888 C CD1 . LEU A 1 248 ? 2.763 -0.201 11.067 1.00 13.08 ? 589 LEU A CD1 1 ATOM 1889 C CD2 . LEU A 1 248 ? 1.190 0.866 9.438 1.00 14.60 ? 589 LEU A CD2 1 ATOM 1890 N N . ALA A 1 249 ? 4.112 5.216 10.478 1.00 13.53 ? 590 ALA A N 1 ATOM 1891 C CA . ALA A 1 249 ? 4.570 6.431 11.150 1.00 13.92 ? 590 ALA A CA 1 ATOM 1892 C C . ALA A 1 249 ? 5.924 6.843 10.617 1.00 14.09 ? 590 ALA A C 1 ATOM 1893 O O . ALA A 1 249 ? 6.625 6.057 9.976 1.00 13.72 ? 590 ALA A O 1 ATOM 1894 C CB . ALA A 1 249 ? 4.662 6.209 12.661 1.00 14.19 ? 590 ALA A CB 1 ATOM 1895 N N . VAL A 1 250 ? 6.299 8.085 10.916 1.00 14.06 ? 591 VAL A N 1 ATOM 1896 C CA . VAL A 1 250 ? 7.667 8.564 10.671 1.00 15.03 ? 591 VAL A CA 1 ATOM 1897 C C . VAL A 1 250 ? 8.353 8.456 12.027 1.00 14.71 ? 591 VAL A C 1 ATOM 1898 O O . VAL A 1 250 ? 7.851 8.998 13.012 1.00 15.75 ? 591 VAL A O 1 ATOM 1899 C CB . VAL A 1 250 ? 7.706 10.012 10.195 1.00 15.51 ? 591 VAL A CB 1 ATOM 1900 C CG1 . VAL A 1 250 ? 9.140 10.490 10.076 1.00 17.07 ? 591 VAL A CG1 1 ATOM 1901 C CG2 . VAL A 1 250 ? 6.992 10.166 8.865 1.00 17.40 ? 591 VAL A CG2 1 ATOM 1902 N N . ALA A 1 251 ? 9.482 7.767 12.082 1.00 13.73 ? 592 ALA A N 1 ATOM 1903 C CA . ALA A 1 251 ? 10.188 7.522 13.334 1.00 13.32 ? 592 ALA A CA 1 ATOM 1904 C C . ALA A 1 251 ? 11.375 8.446 13.466 1.00 12.88 ? 592 ALA A C 1 ATOM 1905 O O . ALA A 1 251 ? 12.030 8.750 12.482 1.00 13.16 ? 592 ALA A O 1 ATOM 1906 C CB . ALA A 1 251 ? 10.669 6.101 13.371 1.00 13.17 ? 592 ALA A CB 1 ATOM 1907 N N . PRO A 1 252 ? 11.689 8.860 14.703 1.00 12.52 ? 593 PRO A N 1 ATOM 1908 C CA . PRO A 1 252 ? 12.923 9.602 14.895 1.00 12.28 ? 593 PRO A CA 1 ATOM 1909 C C . PRO A 1 252 ? 14.112 8.662 14.728 1.00 11.77 ? 593 PRO A C 1 ATOM 1910 O O . PRO A 1 252 ? 14.051 7.501 15.149 1.00 11.61 ? 593 PRO A O 1 ATOM 1911 C CB . PRO A 1 252 ? 12.803 10.089 16.339 1.00 12.36 ? 593 PRO A CB 1 ATOM 1912 C CG . PRO A 1 252 ? 12.003 9.014 17.015 1.00 12.69 ? 593 PRO A CG 1 ATOM 1913 C CD . PRO A 1 252 ? 10.999 8.576 15.974 1.00 12.45 ? 593 PRO A CD 1 ATOM 1914 N N . ASN A 1 253 ? 15.172 9.141 14.128 1.00 11.60 ? 594 ASN A N 1 ATOM 1915 C CA . ASN A 1 253 ? 16.354 8.314 13.882 1.00 11.88 ? 594 ASN A CA 1 ATOM 1916 C C . ASN A 1 253 ? 16.984 7.782 15.158 1.00 11.19 ? 594 ASN A C 1 ATOM 1917 O O . ASN A 1 253 ? 16.938 8.425 16.194 1.00 11.43 ? 594 ASN A O 1 ATOM 1918 C CB . ASN A 1 253 ? 17.377 9.095 13.076 1.00 12.59 ? 594 ASN A CB 1 ATOM 1919 C CG . ASN A 1 253 ? 17.085 9.032 11.602 1.00 15.30 ? 594 ASN A CG 1 ATOM 1920 O OD1 . ASN A 1 253 ? 16.295 8.207 11.147 1.00 19.54 ? 594 ASN A OD1 1 ATOM 1921 N ND2 . ASN A 1 253 ? 17.712 9.924 10.840 1.00 20.14 ? 594 ASN A ND2 1 ATOM 1922 N N . HIS A 1 254 ? 17.606 6.636 15.050 1.00 10.57 ? 595 HIS A N 1 ATOM 1923 C CA . HIS A 1 254 ? 18.351 6.087 16.151 1.00 10.04 ? 595 HIS A CA 1 ATOM 1924 C C . HIS A 1 254 ? 19.389 7.127 16.514 1.00 10.47 ? 595 HIS A C 1 ATOM 1925 O O . HIS A 1 254 ? 19.880 7.859 15.642 1.00 10.17 ? 595 HIS A O 1 ATOM 1926 C CB . HIS A 1 254 ? 19.038 4.812 15.734 1.00 10.32 ? 595 HIS A CB 1 ATOM 1927 C CG . HIS A 1 254 ? 17.972 3.737 15.465 1.00 8.84 ? 595 HIS A CG 1 ATOM 1928 N ND1 . HIS A 1 254 ? 18.250 2.389 15.524 1.00 9.87 ? 595 HIS A ND1 1 ATOM 1929 C CD2 . HIS A 1 254 ? 16.652 3.836 15.166 1.00 9.73 ? 595 HIS A CD2 1 ATOM 1930 C CE1 . HIS A 1 254 ? 17.156 1.701 15.253 1.00 9.50 ? 595 HIS A CE1 1 ATOM 1931 N NE2 . HIS A 1 254 ? 16.169 2.555 15.040 1.00 9.29 ? 595 HIS A NE2 1 ATOM 1932 N N . ALA A 1 255 ? 19.741 7.185 17.792 1.00 10.08 ? 596 ALA A N 1 ATOM 1933 C CA . ALA A 1 255 ? 20.666 8.203 18.273 1.00 10.33 ? 596 ALA A CA 1 ATOM 1934 C C . ALA A 1 255 ? 21.468 7.697 19.452 1.00 10.24 ? 596 ALA A C 1 ATOM 1935 O O . ALA A 1 255 ? 21.041 6.810 20.198 1.00 10.40 ? 596 ALA A O 1 ATOM 1936 C CB . ALA A 1 255 ? 19.908 9.461 18.664 1.00 10.86 ? 596 ALA A CB 1 ATOM 1937 N N . VAL A 1 256 ? 22.639 8.293 19.623 1.00 10.16 ? 597 VAL A N 1 ATOM 1938 C CA . VAL A 1 256 ? 23.519 7.982 20.725 1.00 10.65 ? 597 VAL A CA 1 ATOM 1939 C C . VAL A 1 256 ? 23.016 8.695 21.971 1.00 10.42 ? 597 VAL A C 1 ATOM 1940 O O . VAL A 1 256 ? 22.633 9.861 21.917 1.00 10.56 ? 597 VAL A O 1 ATOM 1941 C CB . VAL A 1 256 ? 24.938 8.467 20.407 1.00 10.62 ? 597 VAL A CB 1 ATOM 1942 C CG1 . VAL A 1 256 ? 25.859 8.336 21.627 1.00 10.86 ? 597 VAL A CG1 1 ATOM 1943 C CG2 . VAL A 1 256 ? 25.492 7.714 19.218 1.00 11.58 ? 597 VAL A CG2 1 ATOM 1944 N N . VAL A 1 257 ? 22.998 7.976 23.086 1.00 10.69 ? 598 VAL A N 1 ATOM 1945 C CA . VAL A 1 257 ? 22.656 8.585 24.365 1.00 11.35 ? 598 VAL A CA 1 ATOM 1946 C C . VAL A 1 257 ? 23.782 8.395 25.368 1.00 11.45 ? 598 VAL A C 1 ATOM 1947 O O . VAL A 1 257 ? 24.569 7.441 25.270 1.00 11.96 ? 598 VAL A O 1 ATOM 1948 C CB . VAL A 1 257 ? 21.364 8.007 24.974 1.00 11.47 ? 598 VAL A CB 1 ATOM 1949 C CG1 . VAL A 1 257 ? 20.201 8.126 23.995 1.00 12.04 ? 598 VAL A CG1 1 ATOM 1950 C CG2 . VAL A 1 257 ? 21.578 6.568 25.417 1.00 13.59 ? 598 VAL A CG2 1 ATOM 1951 N N . SER A 1 258 ? 23.841 9.303 26.339 1.00 11.63 ? 599 SER A N 1 ATOM 1952 C CA . SER A 1 258 ? 24.815 9.226 27.423 1.00 12.47 ? 599 SER A CA 1 ATOM 1953 C C . SER A 1 258 ? 24.282 9.988 28.624 1.00 13.58 ? 599 SER A C 1 ATOM 1954 O O . SER A 1 258 ? 23.246 10.644 28.557 1.00 13.79 ? 599 SER A O 1 ATOM 1955 C CB . SER A 1 258 ? 26.150 9.851 27.004 1.00 12.36 ? 599 SER A CB 1 ATOM 1956 O OG . SER A 1 258 ? 26.057 11.271 26.920 1.00 13.05 ? 599 SER A OG 1 ATOM 1957 N N . ARG A 1 259 ? 24.991 9.913 29.738 1.00 14.56 ? 600 ARG A N 1 ATOM 1958 C CA . ARG A 1 259 ? 24.711 10.855 30.810 1.00 16.01 ? 600 ARG A CA 1 ATOM 1959 C C . ARG A 1 259 ? 25.036 12.258 30.344 1.00 16.67 ? 600 ARG A C 1 ATOM 1960 O O . ARG A 1 259 ? 25.958 12.450 29.563 1.00 16.04 ? 600 ARG A O 1 ATOM 1961 C CB . ARG A 1 259 ? 25.633 10.596 31.974 1.00 16.70 ? 600 ARG A CB 1 ATOM 1962 C CG . ARG A 1 259 ? 25.313 9.406 32.775 1.00 17.19 ? 600 ARG A CG 1 ATOM 1963 C CD . ARG A 1 259 ? 26.128 9.525 34.026 1.00 19.60 ? 600 ARG A CD 1 ATOM 1964 N NE . ARG A 1 259 ? 25.898 8.414 34.909 1.00 20.17 ? 600 ARG A NE 1 ATOM 1965 C CZ . ARG A 1 259 ? 26.493 8.302 36.082 1.00 17.10 ? 600 ARG A CZ 1 ATOM 1966 N NH1 . ARG A 1 259 ? 27.327 9.253 36.481 1.00 17.12 ? 600 ARG A NH1 1 ATOM 1967 N NH2 . ARG A 1 259 ? 26.235 7.262 36.846 1.00 16.50 ? 600 ARG A NH2 1 ATOM 1968 N N . SER A 1 260 ? 24.355 13.265 30.895 1.00 17.56 ? 601 SER A N 1 ATOM 1969 C CA . SER A 1 260 ? 24.619 14.655 30.532 1.00 18.95 ? 601 SER A CA 1 ATOM 1970 C C . SER A 1 260 ? 26.063 15.015 30.775 1.00 18.63 ? 601 SER A C 1 ATOM 1971 O O . SER A 1 260 ? 26.684 15.729 29.999 1.00 18.80 ? 601 SER A O 1 ATOM 1972 C CB . SER A 1 260 ? 23.768 15.602 31.379 1.00 19.20 ? 601 SER A CB 1 ATOM 1973 O OG . SER A 1 260 ? 22.389 15.356 31.184 1.00 22.43 ? 601 SER A OG 1 ATOM 1974 N N . ASP A 1 261 ? 26.613 14.554 31.877 1.00 19.72 ? 602 ASP A N 1 ATOM 1975 C CA . ASP A 1 261 ? 27.933 14.976 32.166 1.00 20.15 ? 602 ASP A CA 1 ATOM 1976 C C . ASP A 1 261 ? 28.992 14.316 31.343 1.00 19.12 ? 602 ASP A C 1 ATOM 1977 O O . ASP A 1 261 ? 30.089 14.715 31.402 1.00 19.95 ? 602 ASP A O 1 ATOM 1978 C CB . ASP A 1 261 ? 28.273 14.845 33.644 1.00 20.94 ? 602 ASP A CB 1 ATOM 1979 C CG . ASP A 1 261 ? 27.711 16.020 34.498 1.00 23.33 ? 602 ASP A CG 1 ATOM 1980 O OD1 . ASP A 1 261 ? 28.031 17.202 34.324 1.00 22.93 ? 602 ASP A OD1 1 ATOM 1981 O OD2 . ASP A 1 261 ? 26.967 15.698 35.377 1.00 26.35 ? 602 ASP A OD2 1 ATOM 1982 N N . ARG A 1 262 ? 28.610 13.345 30.522 1.00 17.54 ? 603 ARG A N 1 ATOM 1983 C CA . ARG A 1 262 ? 29.572 12.732 29.614 1.00 16.52 ? 603 ARG A CA 1 ATOM 1984 C C . ARG A 1 262 ? 29.287 13.093 28.161 1.00 16.04 ? 603 ARG A C 1 ATOM 1985 O O . ARG A 1 262 ? 30.084 12.778 27.269 1.00 15.67 ? 603 ARG A O 1 ATOM 1986 C CB . ARG A 1 262 ? 29.559 11.206 29.776 1.00 15.90 ? 603 ARG A CB 1 ATOM 1987 C CG . ARG A 1 262 ? 30.091 10.713 31.119 1.00 15.38 ? 603 ARG A CG 1 ATOM 1988 C CD . ARG A 1 262 ? 31.585 10.964 31.234 1.00 15.27 ? 603 ARG A CD 1 ATOM 1989 N NE . ARG A 1 262 ? 32.361 9.980 30.473 1.00 15.21 ? 603 ARG A NE 1 ATOM 1990 C CZ . ARG A 1 262 ? 33.639 10.123 30.144 1.00 16.78 ? 603 ARG A CZ 1 ATOM 1991 N NH1 . ARG A 1 262 ? 34.300 11.225 30.494 1.00 17.38 ? 603 ARG A NH1 1 ATOM 1992 N NH2 . ARG A 1 262 ? 34.253 9.168 29.452 1.00 17.12 ? 603 ARG A NH2 1 ATOM 1993 N N . ALA A 1 263 ? 28.171 13.779 27.932 1.00 16.03 ? 604 ALA A N 1 ATOM 1994 C CA . ALA A 1 263 ? 27.686 14.024 26.567 1.00 15.87 ? 604 ALA A CA 1 ATOM 1995 C C . ALA A 1 263 ? 28.667 14.790 25.674 1.00 16.31 ? 604 ALA A C 1 ATOM 1996 O O . ALA A 1 263 ? 28.888 14.418 24.529 1.00 15.84 ? 604 ALA A O 1 ATOM 1997 C CB . ALA A 1 263 ? 26.332 14.713 26.602 1.00 15.70 ? 604 ALA A CB 1 ATOM 1998 N N . ALA A 1 264 ? 29.248 15.871 26.186 1.00 16.69 ? 605 ALA A N 1 ATOM 1999 C CA . ALA A 1 264 ? 30.126 16.679 25.356 1.00 17.40 ? 605 ALA A CA 1 ATOM 2000 C C . ALA A 1 264 ? 31.352 15.882 24.960 1.00 17.23 ? 605 ALA A C 1 ATOM 2001 O O . ALA A 1 264 ? 31.863 15.999 23.849 1.00 17.85 ? 605 ALA A O 1 ATOM 2002 C CB . ALA A 1 264 ? 30.536 17.955 26.084 1.00 17.52 ? 605 ALA A CB 1 ATOM 2003 N N . HIS A 1 265 ? 31.834 15.065 25.880 1.00 17.79 ? 606 HIS A N 1 ATOM 2004 C CA . HIS A 1 265 ? 33.021 14.292 25.581 1.00 17.44 ? 606 HIS A CA 1 ATOM 2005 C C . HIS A 1 265 ? 32.716 13.129 24.642 1.00 16.83 ? 606 HIS A C 1 ATOM 2006 O O . HIS A 1 265 ? 33.492 12.824 23.740 1.00 16.84 ? 606 HIS A O 1 ATOM 2007 C CB . HIS A 1 265 ? 33.672 13.794 26.860 1.00 18.19 ? 606 HIS A CB 1 ATOM 2008 C CG . HIS A 1 265 ? 34.934 13.032 26.633 1.00 19.77 ? 606 HIS A CG 1 ATOM 2009 N ND1 . HIS A 1 265 ? 36.079 13.610 26.120 1.00 21.39 ? 606 HIS A ND1 1 ATOM 2010 C CD2 . HIS A 1 265 ? 35.242 11.739 26.879 1.00 21.43 ? 606 HIS A CD2 1 ATOM 2011 C CE1 . HIS A 1 265 ? 37.030 12.697 26.044 1.00 22.53 ? 606 HIS A CE1 1 ATOM 2012 N NE2 . HIS A 1 265 ? 36.551 11.555 26.504 1.00 22.78 ? 606 HIS A NE2 1 ATOM 2013 N N . VAL A 1 266 ? 31.581 12.477 24.859 1.00 15.85 ? 607 VAL A N 1 ATOM 2014 C CA . VAL A 1 266 ? 31.156 11.425 23.947 1.00 14.81 ? 607 VAL A CA 1 ATOM 2015 C C . VAL A 1 266 ? 30.984 12.005 22.543 1.00 14.78 ? 607 VAL A C 1 ATOM 2016 O O . VAL A 1 266 ? 31.392 11.399 21.547 1.00 14.29 ? 607 VAL A O 1 ATOM 2017 C CB . VAL A 1 266 ? 29.858 10.764 24.443 1.00 14.27 ? 607 VAL A CB 1 ATOM 2018 C CG1 . VAL A 1 266 ? 29.225 9.899 23.355 1.00 13.21 ? 607 VAL A CG1 1 ATOM 2019 C CG2 . VAL A 1 266 ? 30.151 9.930 25.676 1.00 13.71 ? 607 VAL A CG2 1 ATOM 2020 N N . GLU A 1 267 ? 30.399 13.195 22.476 1.00 15.03 ? 608 GLU A N 1 ATOM 2021 C CA . GLU A 1 267 ? 30.177 13.853 21.200 1.00 16.16 ? 608 GLU A CA 1 ATOM 2022 C C . GLU A 1 267 ? 31.500 14.127 20.488 1.00 16.22 ? 608 GLU A C 1 ATOM 2023 O O . GLU A 1 267 ? 31.658 13.796 19.323 1.00 16.58 ? 608 GLU A O 1 ATOM 2024 C CB . GLU A 1 267 ? 29.387 15.148 21.388 1.00 16.28 ? 608 GLU A CB 1 ATOM 2025 C CG . GLU A 1 267 ? 29.153 15.891 20.081 1.00 19.10 ? 608 GLU A CG 1 ATOM 2026 C CD . GLU A 1 267 ? 28.217 17.074 20.228 1.00 23.07 ? 608 GLU A CD 1 ATOM 2027 O OE1 . GLU A 1 267 ? 27.649 17.255 21.325 1.00 27.91 ? 608 GLU A OE1 1 ATOM 2028 O OE2 . GLU A 1 267 ? 28.042 17.822 19.237 1.00 26.25 ? 608 GLU A OE2 1 ATOM 2029 N N . GLN A 1 268 ? 32.446 14.736 21.191 1.00 16.83 ? 609 GLN A N 1 ATOM 2030 C CA . GLN A 1 268 ? 33.719 15.080 20.568 1.00 17.69 ? 609 GLN A CA 1 ATOM 2031 C C . GLN A 1 268 ? 34.416 13.828 20.056 1.00 17.35 ? 609 GLN A C 1 ATOM 2032 O O . GLN A 1 268 ? 34.913 13.791 18.934 1.00 17.92 ? 609 GLN A O 1 ATOM 2033 C CB . GLN A 1 268 ? 34.619 15.826 21.562 1.00 18.37 ? 609 GLN A CB 1 ATOM 2034 C CG . GLN A 1 268 ? 35.998 16.225 21.007 1.00 20.92 ? 609 GLN A CG 1 ATOM 2035 C CD . GLN A 1 268 ? 37.029 15.094 21.003 1.00 24.21 ? 609 GLN A CD 1 ATOM 2036 O OE1 . GLN A 1 268 ? 37.582 14.751 19.952 1.00 26.82 ? 609 GLN A OE1 1 ATOM 2037 N NE2 . GLN A 1 268 ? 37.295 14.518 22.171 1.00 25.71 ? 609 GLN A NE2 1 ATOM 2038 N N . VAL A 1 269 ? 34.441 12.794 20.887 1.00 16.75 ? 610 VAL A N 1 ATOM 2039 C CA . VAL A 1 269 ? 35.109 11.564 20.529 1.00 16.13 ? 610 VAL A CA 1 ATOM 2040 C C . VAL A 1 269 ? 34.466 10.917 19.305 1.00 16.05 ? 610 VAL A C 1 ATOM 2041 O O . VAL A 1 269 ? 35.160 10.489 18.389 1.00 16.06 ? 610 VAL A O 1 ATOM 2042 C CB . VAL A 1 269 ? 35.169 10.600 21.726 1.00 16.15 ? 610 VAL A CB 1 ATOM 2043 C CG1 . VAL A 1 269 ? 35.658 9.228 21.302 1.00 15.35 ? 610 VAL A CG1 1 ATOM 2044 C CG2 . VAL A 1 269 ? 36.089 11.182 22.801 1.00 16.29 ? 610 VAL A CG2 1 ATOM 2045 N N . LEU A 1 270 ? 33.140 10.872 19.279 1.00 15.47 ? 611 LEU A N 1 ATOM 2046 C CA . LEU A 1 270 ? 32.440 10.269 18.145 1.00 15.43 ? 611 LEU A CA 1 ATOM 2047 C C . LEU A 1 270 ? 32.649 11.034 16.850 1.00 15.72 ? 611 LEU A C 1 ATOM 2048 O O . LEU A 1 270 ? 32.765 10.440 15.783 1.00 15.75 ? 611 LEU A O 1 ATOM 2049 C CB . LEU A 1 270 ? 30.946 10.160 18.428 1.00 15.51 ? 611 LEU A CB 1 ATOM 2050 C CG . LEU A 1 270 ? 30.552 9.016 19.352 1.00 14.71 ? 611 LEU A CG 1 ATOM 2051 C CD1 . LEU A 1 270 ? 29.089 9.156 19.761 1.00 14.41 ? 611 LEU A CD1 1 ATOM 2052 C CD2 . LEU A 1 270 ? 30.822 7.678 18.669 1.00 16.12 ? 611 LEU A CD2 1 ATOM 2053 N N . LEU A 1 271 ? 32.666 12.358 16.934 1.00 16.22 ? 612 LEU A N 1 ATOM 2054 C CA . LEU A 1 271 ? 32.901 13.152 15.739 1.00 16.75 ? 612 LEU A CA 1 ATOM 2055 C C . LEU A 1 271 ? 34.270 12.817 15.157 1.00 17.19 ? 612 LEU A C 1 ATOM 2056 O O . LEU A 1 271 ? 34.429 12.697 13.936 1.00 17.95 ? 612 LEU A O 1 ATOM 2057 C CB . LEU A 1 271 ? 32.769 14.642 16.047 1.00 16.94 ? 612 LEU A CB 1 ATOM 2058 C CG . LEU A 1 271 ? 31.333 15.078 16.357 1.00 17.59 ? 612 LEU A CG 1 ATOM 2059 C CD1 . LEU A 1 271 ? 31.317 16.551 16.733 1.00 19.04 ? 612 LEU A CD1 1 ATOM 2060 C CD2 . LEU A 1 271 ? 30.397 14.807 15.182 1.00 18.15 ? 612 LEU A CD2 1 ATOM 2061 N N . HIS A 1 272 ? 35.258 12.631 16.023 1.00 17.48 ? 613 HIS A N 1 ATOM 2062 C CA . HIS A 1 272 ? 36.584 12.259 15.537 1.00 18.01 ? 613 HIS A CA 1 ATOM 2063 C C . HIS A 1 272 ? 36.610 10.816 15.047 1.00 17.67 ? 613 HIS A C 1 ATOM 2064 O O . HIS A 1 272 ? 37.182 10.516 14.005 1.00 17.77 ? 613 HIS A O 1 ATOM 2065 C CB . HIS A 1 272 ? 37.664 12.471 16.596 1.00 18.73 ? 613 HIS A CB 1 ATOM 2066 C CG . HIS A 1 272 ? 39.040 12.122 16.114 1.00 20.75 ? 613 HIS A CG 1 ATOM 2067 N ND1 . HIS A 1 272 ? 39.615 12.726 15.016 1.00 24.21 ? 613 HIS A ND1 1 ATOM 2068 C CD2 . HIS A 1 272 ? 39.945 11.221 16.565 1.00 22.80 ? 613 HIS A CD2 1 ATOM 2069 C CE1 . HIS A 1 272 ? 40.821 12.222 14.820 1.00 24.38 ? 613 HIS A CE1 1 ATOM 2070 N NE2 . HIS A 1 272 ? 41.047 11.309 15.747 1.00 24.23 ? 613 HIS A NE2 1 ATOM 2071 N N . GLN A 1 273 ? 35.993 9.911 15.800 1.00 17.09 ? 614 GLN A N 1 ATOM 2072 C CA . GLN A 1 273 ? 35.992 8.513 15.401 1.00 16.71 ? 614 GLN A CA 1 ATOM 2073 C C . GLN A 1 273 ? 35.376 8.303 14.021 1.00 16.75 ? 614 GLN A C 1 ATOM 2074 O O . GLN A 1 273 ? 35.861 7.481 13.241 1.00 16.62 ? 614 GLN A O 1 ATOM 2075 C CB . GLN A 1 273 ? 35.265 7.648 16.435 1.00 16.64 ? 614 GLN A CB 1 ATOM 2076 C CG . GLN A 1 273 ? 36.025 7.521 17.736 1.00 16.73 ? 614 GLN A CG 1 ATOM 2077 C CD . GLN A 1 273 ? 37.391 6.897 17.537 1.00 17.83 ? 614 GLN A CD 1 ATOM 2078 O OE1 . GLN A 1 273 ? 37.513 5.807 16.982 1.00 17.27 ? 614 GLN A OE1 1 ATOM 2079 N NE2 . GLN A 1 273 ? 38.432 7.591 17.993 1.00 19.02 ? 614 GLN A NE2 1 ATOM 2080 N N . GLN A 1 274 ? 34.304 9.023 13.710 1.00 16.62 ? 615 GLN A N 1 ATOM 2081 C CA . GLN A 1 274 ? 33.701 8.845 12.398 1.00 17.29 ? 615 GLN A CA 1 ATOM 2082 C C . GLN A 1 274 ? 34.525 9.512 11.305 1.00 17.54 ? 615 GLN A C 1 ATOM 2083 O O . GLN A 1 274 ? 34.515 9.067 10.158 1.00 17.86 ? 615 GLN A O 1 ATOM 2084 C CB . GLN A 1 274 ? 32.237 9.286 12.366 1.00 16.94 ? 615 GLN A CB 1 ATOM 2085 C CG . GLN A 1 274 ? 31.975 10.776 12.489 1.00 16.54 ? 615 GLN A CG 1 ATOM 2086 C CD . GLN A 1 274 ? 30.490 11.085 12.440 1.00 17.07 ? 615 GLN A CD 1 ATOM 2087 O OE1 . GLN A 1 274 ? 29.662 10.174 12.348 1.00 18.57 ? 615 GLN A OE1 1 ATOM 2088 N NE2 . GLN A 1 274 ? 30.145 12.362 12.508 1.00 17.16 ? 615 GLN A NE2 1 ATOM 2089 N N . ALA A 1 275 ? 35.249 10.569 11.657 1.00 18.03 ? 616 ALA A N 1 ATOM 2090 C CA . ALA A 1 275 ? 36.166 11.171 10.694 1.00 18.64 ? 616 ALA A CA 1 ATOM 2091 C C . ALA A 1 275 ? 37.188 10.131 10.244 1.00 19.16 ? 616 ALA A C 1 ATOM 2092 O O . ALA A 1 275 ? 37.617 10.131 9.084 1.00 19.96 ? 616 ALA A O 1 ATOM 2093 C CB . ALA A 1 275 ? 36.852 12.382 11.287 1.00 18.75 ? 616 ALA A CB 1 ATOM 2094 N N . LEU A 1 276 ? 37.561 9.238 11.158 1.00 19.20 ? 617 LEU A N 1 ATOM 2095 C CA . LEU A 1 276 ? 38.472 8.137 10.854 1.00 19.59 ? 617 LEU A CA 1 ATOM 2096 C C . LEU A 1 276 ? 37.774 6.939 10.211 1.00 19.92 ? 617 LEU A C 1 ATOM 2097 O O . LEU A 1 276 ? 38.224 6.422 9.188 1.00 20.31 ? 617 LEU A O 1 ATOM 2098 C CB . LEU A 1 276 ? 39.183 7.668 12.123 1.00 19.87 ? 617 LEU A CB 1 ATOM 2099 C CG . LEU A 1 276 ? 39.968 8.730 12.891 1.00 20.45 ? 617 LEU A CG 1 ATOM 2100 C CD1 . LEU A 1 276 ? 40.576 8.133 14.145 1.00 21.27 ? 617 LEU A CD1 1 ATOM 2101 C CD2 . LEU A 1 276 ? 41.048 9.343 11.997 1.00 21.27 ? 617 LEU A CD2 1 ATOM 2102 N N . PHE A 1 277 ? 36.678 6.488 10.813 1.00 19.58 ? 618 PHE A N 1 ATOM 2103 C CA . PHE A 1 277 ? 36.118 5.189 10.450 1.00 19.46 ? 618 PHE A CA 1 ATOM 2104 C C . PHE A 1 277 ? 34.721 5.234 9.843 1.00 19.37 ? 618 PHE A C 1 ATOM 2105 O O . PHE A 1 277 ? 34.141 4.188 9.551 1.00 18.89 ? 618 PHE A O 1 ATOM 2106 C CB . PHE A 1 277 ? 36.123 4.264 11.666 1.00 19.36 ? 618 PHE A CB 1 ATOM 2107 C CG . PHE A 1 277 ? 37.447 4.196 12.362 1.00 19.92 ? 618 PHE A CG 1 ATOM 2108 C CD1 . PHE A 1 277 ? 38.555 3.688 11.710 1.00 21.17 ? 618 PHE A CD1 1 ATOM 2109 C CD2 . PHE A 1 277 ? 37.588 4.650 13.665 1.00 19.17 ? 618 PHE A CD2 1 ATOM 2110 C CE1 . PHE A 1 277 ? 39.787 3.628 12.341 1.00 22.11 ? 618 PHE A CE1 1 ATOM 2111 C CE2 . PHE A 1 277 ? 38.818 4.592 14.308 1.00 20.46 ? 618 PHE A CE2 1 ATOM 2112 C CZ . PHE A 1 277 ? 39.920 4.081 13.641 1.00 21.24 ? 618 PHE A CZ 1 ATOM 2113 N N . GLY A 1 278 ? 34.187 6.433 9.648 1.00 19.78 ? 619 GLY A N 1 ATOM 2114 C CA . GLY A 1 278 ? 32.853 6.596 9.083 1.00 21.36 ? 619 GLY A CA 1 ATOM 2115 C C . GLY A 1 278 ? 32.812 6.403 7.578 1.00 22.51 ? 619 GLY A C 1 ATOM 2116 O O . GLY A 1 278 ? 33.787 5.963 6.972 1.00 22.45 ? 619 GLY A O 1 ATOM 2117 N N . LYS A 1 279 ? 31.639 6.710 6.977 1.00 24.04 ? 620 LYS A N 1 ATOM 2118 C CA . LYS A 1 279 ? 31.526 6.602 5.537 1.00 25.69 ? 620 LYS A CA 1 ATOM 2119 C C . LYS A 1 279 ? 32.522 7.588 4.921 1.00 26.61 ? 620 LYS A C 1 ATOM 2120 O O . LYS A 1 279 ? 32.553 8.768 5.237 1.00 27.22 ? 620 LYS A O 1 ATOM 2121 C CB . LYS A 1 279 ? 30.103 6.859 5.063 1.00 25.70 ? 620 LYS A CB 1 ATOM 2122 C CG . LYS A 1 279 ? 29.834 6.338 3.644 1.00 27.08 ? 620 LYS A CG 1 ATOM 2123 C CD . LYS A 1 279 ? 28.494 6.806 3.108 1.00 29.40 ? 620 LYS A CD 1 ATOM 2124 C CE . LYS A 1 279 ? 28.475 6.845 1.565 1.00 30.87 ? 620 LYS A CE 1 ATOM 2125 N NZ . LYS A 1 279 ? 29.050 5.596 0.983 1.00 32.35 ? 620 LYS A NZ 1 ATOM 2126 N N . ASN A 1 280 ? 33.301 7.018 4.052 1.00 28.10 ? 621 ASN A N 1 ATOM 2127 C CA . ASN A 1 280 ? 34.500 7.593 3.434 1.00 29.11 ? 621 ASN A CA 1 ATOM 2128 C C . ASN A 1 280 ? 35.362 8.336 4.470 1.00 29.20 ? 621 ASN A C 1 ATOM 2129 O O . ASN A 1 280 ? 35.907 9.406 4.222 1.00 29.40 ? 621 ASN A O 1 ATOM 2130 C CB . ASN A 1 280 ? 34.253 8.377 2.127 1.00 29.74 ? 621 ASN A CB 1 ATOM 2131 C CG . ASN A 1 280 ? 33.258 9.516 2.056 1.00 31.15 ? 621 ASN A CG 1 ATOM 2132 O OD1 . ASN A 1 280 ? 33.385 10.543 2.737 1.00 33.42 ? 621 ASN A OD1 1 ATOM 2133 N ND2 . ASN A 1 280 ? 32.235 9.341 1.211 1.00 32.51 ? 621 ASN A ND2 1 ATOM 2134 N N . GLY A 1 281 ? 35.455 7.700 5.650 1.00 29.14 ? 622 GLY A N 1 ATOM 2135 C CA . GLY A 1 281 ? 36.436 8.030 6.674 1.00 28.97 ? 622 GLY A CA 1 ATOM 2136 C C . GLY A 1 281 ? 37.860 7.765 6.233 1.00 29.02 ? 622 GLY A C 1 ATOM 2137 O O . GLY A 1 281 ? 38.109 6.992 5.314 1.00 28.81 ? 622 GLY A O 1 ATOM 2138 N N . LYS A 1 282 ? 38.811 8.387 6.912 1.00 29.15 ? 623 LYS A N 1 ATOM 2139 C CA . LYS A 1 282 ? 40.201 8.312 6.487 1.00 29.42 ? 623 LYS A CA 1 ATOM 2140 C C . LYS A 1 282 ? 40.749 6.900 6.506 1.00 29.33 ? 623 LYS A C 1 ATOM 2141 O O . LYS A 1 282 ? 41.636 6.546 5.735 1.00 29.52 ? 623 LYS A O 1 ATOM 2142 C CB . LYS A 1 282 ? 41.065 9.191 7.379 1.00 29.55 ? 623 LYS A CB 1 ATOM 2143 C CG . LYS A 1 282 ? 40.809 10.677 7.186 1.00 30.16 ? 623 LYS A CG 1 ATOM 2144 C CD . LYS A 1 282 ? 41.690 11.521 8.098 1.00 32.07 ? 623 LYS A CD 1 ATOM 2145 C CE . LYS A 1 282 ? 41.494 13.009 7.839 1.00 33.10 ? 623 LYS A CE 1 ATOM 2146 N NZ . LYS A 1 282 ? 40.106 13.474 8.127 1.00 34.42 ? 623 LYS A NZ 1 ATOM 2147 N N . ASN A 1 283 ? 40.238 6.081 7.395 1.00 28.99 ? 624 ASN A N 1 ATOM 2148 C CA . ASN A 1 283 ? 40.748 4.738 7.448 1.00 28.76 ? 624 ASN A CA 1 ATOM 2149 C C . ASN A 1 283 ? 39.669 3.687 7.219 1.00 28.10 ? 624 ASN A C 1 ATOM 2150 O O . ASN A 1 283 ? 39.814 2.539 7.635 1.00 27.90 ? 624 ASN A O 1 ATOM 2151 C CB . ASN A 1 283 ? 41.467 4.519 8.767 1.00 29.22 ? 624 ASN A CB 1 ATOM 2152 C CG . ASN A 1 283 ? 42.573 5.532 8.989 1.00 30.04 ? 624 ASN A CG 1 ATOM 2153 O OD1 . ASN A 1 283 ? 43.707 5.339 8.550 1.00 32.10 ? 624 ASN A OD1 1 ATOM 2154 N ND2 . ASN A 1 283 ? 42.243 6.630 9.662 1.00 30.64 ? 624 ASN A ND2 1 ATOM 2155 N N . CYS A 1 284 ? 38.595 4.110 6.557 1.00 27.69 ? 625 CYS A N 1 ATOM 2156 C CA . CYS A 1 284 ? 37.545 3.216 6.060 1.00 27.56 ? 625 CYS A CA 1 ATOM 2157 C C . CYS A 1 284 ? 37.503 3.350 4.539 1.00 28.09 ? 625 CYS A C 1 ATOM 2158 O O . CYS A 1 284 ? 37.344 4.460 4.033 1.00 28.10 ? 625 CYS A O 1 ATOM 2159 C CB . CYS A 1 284 ? 36.190 3.597 6.664 1.00 27.20 ? 625 CYS A CB 1 ATOM 2160 S SG . CYS A 1 284 ? 34.706 2.821 5.936 1.00 24.71 ? 625 CYS A SG 1 ATOM 2161 N N . PRO A 1 285 ? 37.566 2.220 3.806 1.00 28.88 ? 626 PRO A N 1 ATOM 2162 C CA . PRO A 1 285 ? 37.443 0.836 4.275 1.00 29.52 ? 626 PRO A CA 1 ATOM 2163 C C . PRO A 1 285 ? 38.765 0.119 4.571 1.00 29.99 ? 626 PRO A C 1 ATOM 2164 O O . PRO A 1 285 ? 38.760 -1.042 4.987 1.00 30.34 ? 626 PRO A O 1 ATOM 2165 C CB . PRO A 1 285 ? 36.745 0.151 3.100 1.00 29.47 ? 626 PRO A CB 1 ATOM 2166 C CG . PRO A 1 285 ? 37.241 0.896 1.897 1.00 29.25 ? 626 PRO A CG 1 ATOM 2167 C CD . PRO A 1 285 ? 37.585 2.297 2.331 1.00 29.01 ? 626 PRO A CD 1 ATOM 2168 N N . ASP A 1 286 ? 39.880 0.807 4.361 1.00 30.58 ? 627 ASP A N 1 ATOM 2169 C CA . ASP A 1 286 ? 41.189 0.171 4.489 1.00 31.05 ? 627 ASP A CA 1 ATOM 2170 C C . ASP A 1 286 ? 41.388 -0.515 5.830 1.00 30.72 ? 627 ASP A C 1 ATOM 2171 O O . ASP A 1 286 ? 41.895 -1.636 5.894 1.00 31.08 ? 627 ASP A O 1 ATOM 2172 C CB . ASP A 1 286 ? 42.312 1.184 4.265 1.00 31.49 ? 627 ASP A CB 1 ATOM 2173 C CG . ASP A 1 286 ? 42.506 1.526 2.803 1.00 33.01 ? 627 ASP A CG 1 ATOM 2174 O OD1 . ASP A 1 286 ? 42.432 0.607 1.957 1.00 34.89 ? 627 ASP A OD1 1 ATOM 2175 O OD2 . ASP A 1 286 ? 42.739 2.715 2.497 1.00 35.25 ? 627 ASP A OD2 1 ATOM 2176 N N . LYS A 1 287 ? 40.993 0.167 6.901 1.00 29.96 ? 628 LYS A N 1 ATOM 2177 C CA . LYS A 1 287 ? 41.305 -0.282 8.254 1.00 29.11 ? 628 LYS A CA 1 ATOM 2178 C C . LYS A 1 287 ? 40.076 -0.822 8.977 1.00 27.87 ? 628 LYS A C 1 ATOM 2179 O O . LYS A 1 287 ? 40.053 -1.969 9.418 1.00 28.23 ? 628 LYS A O 1 ATOM 2180 C CB . LYS A 1 287 ? 41.926 0.862 9.065 1.00 29.54 ? 628 LYS A CB 1 ATOM 2181 C CG . LYS A 1 287 ? 43.383 1.181 8.702 1.00 30.87 ? 628 LYS A CG 1 ATOM 2182 C CD . LYS A 1 287 ? 44.238 1.469 9.937 1.00 32.95 ? 628 LYS A CD 1 ATOM 2183 C CE . LYS A 1 287 ? 45.153 0.292 10.294 1.00 34.27 ? 628 LYS A CE 1 ATOM 2184 N NZ . LYS A 1 287 ? 46.133 0.640 11.365 1.00 35.59 ? 628 LYS A NZ 1 ATOM 2185 N N . PHE A 1 288 ? 39.055 0.015 9.095 1.00 26.18 ? 629 PHE A N 1 ATOM 2186 C CA . PHE A 1 288 ? 37.862 -0.354 9.839 1.00 24.22 ? 629 PHE A CA 1 ATOM 2187 C C . PHE A 1 288 ? 36.754 0.615 9.497 1.00 23.15 ? 629 PHE A C 1 ATOM 2188 O O . PHE A 1 288 ? 36.995 1.811 9.374 1.00 22.45 ? 629 PHE A O 1 ATOM 2189 C CB . PHE A 1 288 ? 38.147 -0.317 11.342 1.00 24.33 ? 629 PHE A CB 1 ATOM 2190 C CG . PHE A 1 288 ? 36.925 -0.516 12.202 1.00 22.89 ? 629 PHE A CG 1 ATOM 2191 C CD1 . PHE A 1 288 ? 36.342 -1.767 12.313 1.00 22.41 ? 629 PHE A CD1 1 ATOM 2192 C CD2 . PHE A 1 288 ? 36.368 0.543 12.905 1.00 21.14 ? 629 PHE A CD2 1 ATOM 2193 C CE1 . PHE A 1 288 ? 35.219 -1.957 13.104 1.00 21.98 ? 629 PHE A CE1 1 ATOM 2194 C CE2 . PHE A 1 288 ? 35.246 0.359 13.694 1.00 20.90 ? 629 PHE A CE2 1 ATOM 2195 C CZ . PHE A 1 288 ? 34.674 -0.895 13.793 1.00 20.98 ? 629 PHE A CZ 1 ATOM 2196 N N . CYS A 1 289 ? 35.542 0.091 9.341 1.00 21.87 ? 630 CYS A N 1 ATOM 2197 C CA . CYS A 1 289 ? 34.380 0.919 9.048 1.00 21.04 ? 630 CYS A CA 1 ATOM 2198 C C . CYS A 1 289 ? 33.358 0.807 10.164 1.00 19.84 ? 630 CYS A C 1 ATOM 2199 O O . CYS A 1 289 ? 32.775 -0.254 10.393 1.00 19.58 ? 630 CYS A O 1 ATOM 2200 C CB . CYS A 1 289 ? 33.743 0.520 7.724 1.00 21.42 ? 630 CYS A CB 1 ATOM 2201 S SG . CYS A 1 289 ? 34.824 0.807 6.304 1.00 24.27 ? 630 CYS A SG 1 ATOM 2202 N N . LEU A 1 290 ? 33.148 1.923 10.843 1.00 18.43 ? 631 LEU A N 1 ATOM 2203 C CA . LEU A 1 290 ? 32.242 1.989 11.978 1.00 17.57 ? 631 LEU A CA 1 ATOM 2204 C C . LEU A 1 290 ? 30.796 1.686 11.598 1.00 17.35 ? 631 LEU A C 1 ATOM 2205 O O . LEU A 1 290 ? 30.034 1.177 12.420 1.00 16.74 ? 631 LEU A O 1 ATOM 2206 C CB . LEU A 1 290 ? 32.335 3.372 12.613 1.00 17.70 ? 631 LEU A CB 1 ATOM 2207 C CG . LEU A 1 290 ? 31.632 3.545 13.957 1.00 17.40 ? 631 LEU A CG 1 ATOM 2208 C CD1 . LEU A 1 290 ? 32.135 2.519 14.956 1.00 18.51 ? 631 LEU A CD1 1 ATOM 2209 C CD2 . LEU A 1 290 ? 31.870 4.959 14.464 1.00 18.66 ? 631 LEU A CD2 1 ATOM 2210 N N . PHE A 1 291 ? 30.418 2.008 10.362 1.00 17.12 ? 632 PHE A N 1 ATOM 2211 C CA . PHE A 1 291 ? 29.023 1.891 9.940 1.00 17.43 ? 632 PHE A CA 1 ATOM 2212 C C . PHE A 1 291 ? 28.805 0.748 8.960 1.00 18.38 ? 632 PHE A C 1 ATOM 2213 O O . PHE A 1 291 ? 27.860 0.769 8.168 1.00 18.43 ? 632 PHE A O 1 ATOM 2214 C CB . PHE A 1 291 ? 28.522 3.216 9.357 1.00 17.38 ? 632 PHE A CB 1 ATOM 2215 C CG . PHE A 1 291 ? 28.722 4.393 10.268 1.00 17.03 ? 632 PHE A CG 1 ATOM 2216 C CD1 . PHE A 1 291 ? 28.416 4.305 11.617 1.00 16.33 ? 632 PHE A CD1 1 ATOM 2217 C CD2 . PHE A 1 291 ? 29.203 5.597 9.775 1.00 16.38 ? 632 PHE A CD2 1 ATOM 2218 C CE1 . PHE A 1 291 ? 28.601 5.383 12.453 1.00 16.24 ? 632 PHE A CE1 1 ATOM 2219 C CE2 . PHE A 1 291 ? 29.388 6.679 10.610 1.00 17.16 ? 632 PHE A CE2 1 ATOM 2220 C CZ . PHE A 1 291 ? 29.085 6.572 11.954 1.00 15.50 ? 632 PHE A CZ 1 ATOM 2221 N N . LYS A 1 292 ? 29.681 -0.248 9.017 1.00 19.01 ? 633 LYS A N 1 ATOM 2222 C CA . LYS A 1 292 ? 29.442 -1.498 8.309 1.00 20.43 ? 633 LYS A CA 1 ATOM 2223 C C . LYS A 1 292 ? 29.538 -2.695 9.253 1.00 20.65 ? 633 LYS A C 1 ATOM 2224 O O . LYS A 1 292 ? 30.241 -2.651 10.265 1.00 19.64 ? 633 LYS A O 1 ATOM 2225 C CB . LYS A 1 292 ? 30.394 -1.640 7.120 1.00 20.97 ? 633 LYS A CB 1 ATOM 2226 C CG . LYS A 1 292 ? 30.083 -0.667 5.979 1.00 22.85 ? 633 LYS A CG 1 ATOM 2227 C CD . LYS A 1 292 ? 28.610 -0.756 5.569 1.00 25.71 ? 633 LYS A CD 1 ATOM 2228 C CE . LYS A 1 292 ? 28.249 0.231 4.471 1.00 27.75 ? 633 LYS A CE 1 ATOM 2229 N NZ . LYS A 1 292 ? 26.826 0.071 4.045 1.00 29.42 ? 633 LYS A NZ 1 ATOM 2230 N N . SER A 1 293 ? 28.795 -3.749 8.932 1.00 21.85 ? 634 SER A N 1 ATOM 2231 C CA . SER A 1 293 ? 28.855 -4.991 9.682 1.00 23.37 ? 634 SER A CA 1 ATOM 2232 C C . SER A 1 293 ? 28.243 -6.132 8.874 1.00 24.50 ? 634 SER A C 1 ATOM 2233 O O . SER A 1 293 ? 27.691 -7.079 9.437 1.00 25.20 ? 634 SER A O 1 ATOM 2234 C CB . SER A 1 293 ? 28.147 -4.850 11.028 1.00 23.52 ? 634 SER A CB 1 ATOM 2235 O OG . SER A 1 293 ? 26.928 -4.151 10.908 1.00 23.95 ? 634 SER A OG 1 ATOM 2236 N N . GLU A 1 294 ? 28.314 -6.129 7.490 1.00 25.44 ? 635 GLU A N 1 ATOM 2237 C CA . GLU A 1 294 ? 27.816 -7.278 6.694 1.00 26.31 ? 635 GLU A CA 1 ATOM 2238 C C . GLU A 1 294 ? 26.339 -7.556 6.893 1.00 26.11 ? 635 GLU A C 1 ATOM 2239 O O . GLU A 1 294 ? 25.851 -8.642 7.255 1.00 26.65 ? 635 GLU A O 1 ATOM 2240 C CB . GLU A 1 294 ? 28.552 -8.492 7.107 1.00 26.63 ? 635 GLU A CB 1 ATOM 2241 C CG . GLU A 1 294 ? 29.942 -8.481 6.561 1.00 29.11 ? 635 GLU A CG 1 ATOM 2242 C CD . GLU A 1 294 ? 30.444 -9.867 6.491 1.00 31.99 ? 635 GLU A CD 1 ATOM 2243 O OE1 . GLU A 1 294 ? 30.047 -10.608 5.567 1.00 34.16 ? 635 GLU A OE1 1 ATOM 2244 O OE2 . GLU A 1 294 ? 31.259 -10.240 7.360 1.00 33.57 ? 635 GLU A OE2 1 ATOM 2245 N N . THR A 1 295 ? 25.670 -6.408 6.634 1.00 25.65 ? 636 THR A N 1 ATOM 2246 C CA . THR A 1 295 ? 24.245 -6.001 6.717 1.00 25.09 ? 636 THR A CA 1 ATOM 2247 C C . THR A 1 295 ? 23.584 -6.492 7.977 1.00 23.84 ? 636 THR A C 1 ATOM 2248 O O . THR A 1 295 ? 22.435 -6.933 7.936 1.00 24.51 ? 636 THR A O 1 ATOM 2249 C CB . THR A 1 295 ? 23.351 -6.497 5.568 1.00 25.48 ? 636 THR A CB 1 ATOM 2250 O OG1 . THR A 1 295 ? 23.253 -7.934 5.648 1.00 27.29 ? 636 THR A OG1 1 ATOM 2251 C CG2 . THR A 1 295 ? 23.951 -6.083 4.239 1.00 26.39 ? 636 THR A CG2 1 ATOM 2252 N N . LYS A 1 296 ? 24.327 -6.409 9.092 1.00 21.65 ? 637 LYS A N 1 ATOM 2253 C CA . LYS A 1 296 ? 23.848 -6.868 10.408 1.00 19.47 ? 637 LYS A CA 1 ATOM 2254 C C . LYS A 1 296 ? 23.503 -5.739 11.373 1.00 17.39 ? 637 LYS A C 1 ATOM 2255 O O . LYS A 1 296 ? 23.043 -5.981 12.488 1.00 17.14 ? 637 LYS A O 1 ATOM 2256 C CB . LYS A 1 296 ? 24.886 -7.775 11.052 1.00 20.05 ? 637 LYS A CB 1 ATOM 2257 C CG . LYS A 1 296 ? 24.910 -9.196 10.480 1.00 22.32 ? 637 LYS A CG 1 ATOM 2258 C CD . LYS A 1 296 ? 26.281 -9.840 10.602 1.00 24.93 ? 637 LYS A CD 1 ATOM 2259 C CE . LYS A 1 296 ? 26.490 -10.436 11.985 1.00 27.11 ? 637 LYS A CE 1 ATOM 2260 N NZ . LYS A 1 296 ? 26.611 -11.919 11.937 1.00 28.84 ? 637 LYS A NZ 1 ATOM 2261 N N . ASN A 1 297 ? 23.728 -4.504 10.935 1.00 14.87 ? 638 ASN A N 1 ATOM 2262 C CA . ASN A 1 297 ? 23.389 -3.331 11.738 1.00 13.80 ? 638 ASN A CA 1 ATOM 2263 C C . ASN A 1 297 ? 23.913 -3.392 13.172 1.00 12.95 ? 638 ASN A C 1 ATOM 2264 O O . ASN A 1 297 ? 23.163 -3.138 14.122 1.00 12.90 ? 638 ASN A O 1 ATOM 2265 C CB . ASN A 1 297 ? 21.871 -3.134 11.766 1.00 13.37 ? 638 ASN A CB 1 ATOM 2266 C CG . ASN A 1 297 ? 21.289 -2.937 10.382 1.00 14.22 ? 638 ASN A CG 1 ATOM 2267 O OD1 . ASN A 1 297 ? 21.953 -2.118 9.572 1.00 17.42 ? 638 ASN A OD1 1 ATOM 2268 N ND2 . ASN A 1 297 ? 20.260 -3.533 10.036 1.00 12.32 ? 638 ASN A ND2 1 ATOM 2269 N N . LEU A 1 298 ? 25.200 -3.696 13.329 1.00 12.00 ? 639 LEU A N 1 ATOM 2270 C CA . LEU A 1 298 ? 25.804 -3.814 14.648 1.00 11.70 ? 639 LEU A CA 1 ATOM 2271 C C . LEU A 1 298 ? 26.337 -2.466 15.114 1.00 11.48 ? 639 LEU A C 1 ATOM 2272 O O . LEU A 1 298 ? 27.118 -1.841 14.407 1.00 10.89 ? 639 LEU A O 1 ATOM 2273 C CB . LEU A 1 298 ? 26.942 -4.835 14.634 1.00 11.71 ? 639 LEU A CB 1 ATOM 2274 C CG . LEU A 1 298 ? 26.558 -6.242 14.174 1.00 12.64 ? 639 LEU A CG 1 ATOM 2275 C CD1 . LEU A 1 298 ? 27.796 -7.119 14.165 1.00 13.60 ? 639 LEU A CD1 1 ATOM 2276 C CD2 . LEU A 1 298 ? 25.474 -6.831 15.069 1.00 13.09 ? 639 LEU A CD2 1 ATOM 2277 N N . LEU A 1 299 ? 25.917 -2.054 16.311 1.00 11.04 ? 640 LEU A N 1 ATOM 2278 C CA . LEU A 1 299 ? 26.273 -0.762 16.942 1.00 10.86 ? 640 LEU A CA 1 ATOM 2279 C C . LEU A 1 299 ? 25.555 0.415 16.311 1.00 10.57 ? 640 LEU A C 1 ATOM 2280 O O . LEU A 1 299 ? 25.010 1.259 17.024 1.00 10.80 ? 640 LEU A O 1 ATOM 2281 C CB . LEU A 1 299 ? 27.784 -0.496 16.944 1.00 11.41 ? 640 LEU A CB 1 ATOM 2282 C CG . LEU A 1 299 ? 28.660 -1.553 17.621 1.00 11.07 ? 640 LEU A CG 1 ATOM 2283 C CD1 . LEU A 1 299 ? 30.129 -1.133 17.577 1.00 12.62 ? 640 LEU A CD1 1 ATOM 2284 C CD2 . LEU A 1 299 ? 28.233 -1.865 19.054 1.00 11.59 ? 640 LEU A CD2 1 ATOM 2285 N N . PHE A 1 300 ? 25.569 0.462 14.981 1.00 10.50 ? 641 PHE A N 1 ATOM 2286 C CA . PHE A 1 300 ? 24.866 1.475 14.206 1.00 10.21 ? 641 PHE A CA 1 ATOM 2287 C C . PHE A 1 300 ? 24.217 0.787 13.027 1.00 10.35 ? 641 PHE A C 1 ATOM 2288 O O . PHE A 1 300 ? 24.639 -0.292 12.635 1.00 10.80 ? 641 PHE A O 1 ATOM 2289 C CB . PHE A 1 300 ? 25.839 2.539 13.675 1.00 10.33 ? 641 PHE A CB 1 ATOM 2290 C CG . PHE A 1 300 ? 26.638 3.208 14.748 1.00 10.78 ? 641 PHE A CG 1 ATOM 2291 C CD1 . PHE A 1 300 ? 26.117 4.292 15.447 1.00 11.74 ? 641 PHE A CD1 1 ATOM 2292 C CD2 . PHE A 1 300 ? 27.893 2.733 15.087 1.00 10.88 ? 641 PHE A CD2 1 ATOM 2293 C CE1 . PHE A 1 300 ? 26.847 4.893 16.451 1.00 12.40 ? 641 PHE A CE1 1 ATOM 2294 C CE2 . PHE A 1 300 ? 28.623 3.341 16.088 1.00 12.16 ? 641 PHE A CE2 1 ATOM 2295 C CZ . PHE A 1 300 ? 28.104 4.419 16.760 1.00 12.65 ? 641 PHE A CZ 1 ATOM 2296 N N . ASN A 1 301 ? 23.205 1.411 12.449 1.00 10.82 ? 642 ASN A N 1 ATOM 2297 C CA . ASN A 1 301 ? 22.666 0.893 11.207 1.00 11.53 ? 642 ASN A CA 1 ATOM 2298 C C . ASN A 1 301 ? 23.695 1.009 10.100 1.00 12.31 ? 642 ASN A C 1 ATOM 2299 O O . ASN A 1 301 ? 24.409 2.003 10.007 1.00 12.53 ? 642 ASN A O 1 ATOM 2300 C CB . ASN A 1 301 ? 21.389 1.631 10.829 1.00 11.39 ? 642 ASN A CB 1 ATOM 2301 C CG . ASN A 1 301 ? 20.220 1.212 11.678 1.00 12.04 ? 642 ASN A CG 1 ATOM 2302 O OD1 . ASN A 1 301 ? 19.964 0.020 11.856 1.00 12.03 ? 642 ASN A OD1 1 ATOM 2303 N ND2 . ASN A 1 301 ? 19.502 2.187 12.208 1.00 12.16 ? 642 ASN A ND2 1 ATOM 2304 N N . ASP A 1 302 ? 23.769 -0.017 9.264 1.00 13.12 ? 643 ASP A N 1 ATOM 2305 C CA . ASP A 1 302 ? 24.743 -0.029 8.187 1.00 13.93 ? 643 ASP A CA 1 ATOM 2306 C C . ASP A 1 302 ? 24.506 1.063 7.152 1.00 14.22 ? 643 ASP A C 1 ATOM 2307 O O . ASP A 1 302 ? 25.407 1.379 6.370 1.00 15.05 ? 643 ASP A O 1 ATOM 2308 C CB . ASP A 1 302 ? 24.760 -1.397 7.515 1.00 14.09 ? 643 ASP A CB 1 ATOM 2309 C CG . ASP A 1 302 ? 25.155 -2.507 8.468 1.00 15.52 ? 643 ASP A CG 1 ATOM 2310 O OD1 . ASP A 1 302 ? 25.986 -2.278 9.366 1.00 16.98 ? 643 ASP A OD1 1 ATOM 2311 O OD2 . ASP A 1 302 ? 24.628 -3.624 8.319 1.00 19.75 ? 643 ASP A OD2 1 ATOM 2312 N N . ASN A 1 303 ? 23.307 1.635 7.135 1.00 14.17 ? 644 ASN A N 1 ATOM 2313 C CA . ASN A 1 303 ? 23.018 2.723 6.202 1.00 14.74 ? 644 ASN A CA 1 ATOM 2314 C C . ASN A 1 303 ? 23.290 4.104 6.783 1.00 14.85 ? 644 ASN A C 1 ATOM 2315 O O . ASN A 1 303 ? 22.936 5.122 6.190 1.00 15.45 ? 644 ASN A O 1 ATOM 2316 C CB . ASN A 1 303 ? 21.588 2.637 5.661 1.00 14.80 ? 644 ASN A CB 1 ATOM 2317 C CG . ASN A 1 303 ? 20.547 2.973 6.705 1.00 15.79 ? 644 ASN A CG 1 ATOM 2318 O OD1 . ASN A 1 303 ? 20.862 3.156 7.882 1.00 16.23 ? 644 ASN A OD1 1 ATOM 2319 N ND2 . ASN A 1 303 ? 19.298 3.051 6.280 1.00 17.75 ? 644 ASN A ND2 1 ATOM 2320 N N . THR A 1 304 ? 23.937 4.137 7.941 1.00 14.68 ? 645 THR A N 1 ATOM 2321 C CA . THR A 1 304 ? 24.345 5.400 8.533 1.00 14.76 ? 645 THR A CA 1 ATOM 2322 C C . THR A 1 304 ? 25.458 6.047 7.701 1.00 15.25 ? 645 THR A C 1 ATOM 2323 O O . THR A 1 304 ? 26.502 5.441 7.477 1.00 16.20 ? 645 THR A O 1 ATOM 2324 C CB . THR A 1 304 ? 24.851 5.177 9.968 1.00 14.01 ? 645 THR A CB 1 ATOM 2325 O OG1 . THR A 1 304 ? 23.816 4.559 10.745 1.00 13.70 ? 645 THR A OG1 1 ATOM 2326 C CG2 . THR A 1 304 ? 25.248 6.499 10.613 1.00 13.88 ? 645 THR A CG2 1 ATOM 2327 N N . GLU A 1 305 ? 25.232 7.276 7.238 1.00 15.93 ? 646 GLU A N 1 ATOM 2328 C CA . GLU A 1 305 ? 26.274 8.024 6.529 1.00 17.06 ? 646 GLU A CA 1 ATOM 2329 C C . GLU A 1 305 ? 27.147 8.742 7.541 1.00 17.11 ? 646 GLU A C 1 ATOM 2330 O O . GLU A 1 305 ? 28.359 8.815 7.389 1.00 17.90 ? 646 GLU A O 1 ATOM 2331 C CB . GLU A 1 305 ? 25.659 9.027 5.555 1.00 17.64 ? 646 GLU A CB 1 ATOM 2332 C CG . GLU A 1 305 ? 26.689 9.873 4.801 1.00 21.01 ? 646 GLU A CG 1 ATOM 2333 C CD . GLU A 1 305 ? 26.088 11.105 4.140 1.00 25.35 ? 646 GLU A CD 1 ATOM 2334 O OE1 . GLU A 1 305 ? 24.847 11.177 3.997 1.00 27.29 ? 646 GLU A OE1 1 ATOM 2335 O OE2 . GLU A 1 305 ? 26.865 12.013 3.767 1.00 29.12 ? 646 GLU A OE2 1 ATOM 2336 N N . CYS A 1 306 ? 26.522 9.267 8.587 1.00 16.54 ? 647 CYS A N 1 ATOM 2337 C CA . CYS A 1 306 ? 27.269 9.881 9.673 1.00 16.33 ? 647 CYS A CA 1 ATOM 2338 C C . CYS A 1 306 ? 26.380 10.010 10.894 1.00 15.49 ? 647 CYS A C 1 ATOM 2339 O O . CYS A 1 306 ? 25.164 9.838 10.815 1.00 15.31 ? 647 CYS A O 1 ATOM 2340 C CB . CYS A 1 306 ? 27.784 11.268 9.275 1.00 17.15 ? 647 CYS A CB 1 ATOM 2341 S SG . CYS A 1 306 ? 26.515 12.543 9.211 1.00 18.70 ? 647 CYS A SG 1 ATOM 2342 N N . LEU A 1 307 ? 27.002 10.308 12.026 1.00 15.07 ? 648 LEU A N 1 ATOM 2343 C CA . LEU A 1 307 ? 26.277 10.749 13.201 1.00 14.93 ? 648 LEU A CA 1 ATOM 2344 C C . LEU A 1 307 ? 26.238 12.267 13.128 1.00 15.06 ? 648 LEU A C 1 ATOM 2345 O O . LEU A 1 307 ? 27.274 12.916 12.975 1.00 16.34 ? 648 LEU A O 1 ATOM 2346 C CB . LEU A 1 307 ? 26.984 10.281 14.468 1.00 15.15 ? 648 LEU A CB 1 ATOM 2347 C CG . LEU A 1 307 ? 27.048 8.761 14.625 1.00 14.85 ? 648 LEU A CG 1 ATOM 2348 C CD1 . LEU A 1 307 ? 28.043 8.373 15.713 1.00 15.88 ? 648 LEU A CD1 1 ATOM 2349 C CD2 . LEU A 1 307 ? 25.656 8.200 14.914 1.00 15.78 ? 648 LEU A CD2 1 ATOM 2350 N N . ALA A 1 308 ? 25.046 12.826 13.231 1.00 14.86 ? 649 ALA A N 1 ATOM 2351 C CA . ALA A 1 308 ? 24.860 14.249 13.006 1.00 15.15 ? 649 ALA A CA 1 ATOM 2352 C C . ALA A 1 308 ? 24.565 15.005 14.286 1.00 15.76 ? 649 ALA A C 1 ATOM 2353 O O . ALA A 1 308 ? 23.963 14.475 15.226 1.00 15.67 ? 649 ALA A O 1 ATOM 2354 C CB . ALA A 1 308 ? 23.749 14.476 11.996 1.00 15.07 ? 649 ALA A CB 1 ATOM 2355 N N . LYS A 1 309 ? 24.982 16.264 14.313 1.00 16.59 ? 650 LYS A N 1 ATOM 2356 C CA . LYS A 1 309 ? 24.710 17.134 15.448 1.00 17.89 ? 650 LYS A CA 1 ATOM 2357 C C . LYS A 1 309 ? 23.214 17.392 15.590 1.00 18.59 ? 650 LYS A C 1 ATOM 2358 O O . LYS A 1 309 ? 22.486 17.498 14.594 1.00 18.73 ? 650 LYS A O 1 ATOM 2359 C CB . LYS A 1 309 ? 25.475 18.453 15.292 1.00 18.14 ? 650 LYS A CB 1 ATOM 2360 C CG . LYS A 1 309 ? 26.985 18.290 15.359 1.00 19.56 ? 650 LYS A CG 1 ATOM 2361 C CD . LYS A 1 309 ? 27.704 19.617 15.151 1.00 22.53 ? 650 LYS A CD 1 ATOM 2362 C CE . LYS A 1 309 ? 29.198 19.465 15.354 1.00 24.98 ? 650 LYS A CE 1 ATOM 2363 N NZ . LYS A 1 309 ? 29.891 20.782 15.301 1.00 27.45 ? 650 LYS A NZ 1 ATOM 2364 N N . LEU A 1 310 ? 22.755 17.493 16.833 1.00 19.30 ? 651 LEU A N 1 ATOM 2365 C CA . LEU A 1 310 ? 21.356 17.792 17.111 1.00 20.23 ? 651 LEU A CA 1 ATOM 2366 C C . LEU A 1 310 ? 21.111 19.296 17.153 1.00 20.94 ? 651 LEU A C 1 ATOM 2367 O O . LEU A 1 310 ? 21.968 20.062 17.593 1.00 22.04 ? 651 LEU A O 1 ATOM 2368 C CB . LEU A 1 310 ? 20.923 17.152 18.432 1.00 19.94 ? 651 LEU A CB 1 ATOM 2369 C CG . LEU A 1 310 ? 21.194 15.653 18.580 1.00 20.04 ? 651 LEU A CG 1 ATOM 2370 C CD1 . LEU A 1 310 ? 20.885 15.188 19.995 1.00 19.66 ? 651 LEU A CD1 1 ATOM 2371 C CD2 . LEU A 1 310 ? 20.391 14.858 17.563 1.00 21.30 ? 651 LEU A CD2 1 ATOM 2372 N N . GLY A 1 311 ? 19.935 19.712 16.693 1.00 21.90 ? 652 GLY A N 1 ATOM 2373 C CA . GLY A 1 311 ? 19.506 21.091 16.835 1.00 22.02 ? 652 GLY A CA 1 ATOM 2374 C C . GLY A 1 311 ? 18.901 21.372 18.197 1.00 21.82 ? 652 GLY A C 1 ATOM 2375 O O . GLY A 1 311 ? 18.001 20.662 18.646 1.00 22.37 ? 652 GLY A O 1 ATOM 2376 N N . GLY A 1 312 ? 19.398 22.414 18.856 1.00 21.37 ? 653 GLY A N 1 ATOM 2377 C CA . GLY A 1 312 ? 18.687 23.025 19.964 1.00 20.36 ? 653 GLY A CA 1 ATOM 2378 C C . GLY A 1 312 ? 18.848 22.247 21.255 1.00 19.31 ? 653 GLY A C 1 ATOM 2379 O O . GLY A 1 312 ? 18.054 22.396 22.184 1.00 19.39 ? 653 GLY A O 1 ATOM 2380 N N . ARG A 1 313 ? 19.881 21.413 21.313 1.00 18.18 ? 654 ARG A N 1 ATOM 2381 C CA . ARG A 1 313 ? 20.287 20.782 22.563 1.00 17.11 ? 654 ARG A CA 1 ATOM 2382 C C . ARG A 1 313 ? 19.129 20.019 23.197 1.00 15.98 ? 654 ARG A C 1 ATOM 2383 O O . ARG A 1 313 ? 18.835 20.189 24.381 1.00 15.24 ? 654 ARG A O 1 ATOM 2384 C CB . ARG A 1 313 ? 20.826 21.828 23.541 1.00 17.68 ? 654 ARG A CB 1 ATOM 2385 C CG . ARG A 1 313 ? 22.149 22.447 23.121 1.00 19.87 ? 654 ARG A CG 1 ATOM 2386 C CD . ARG A 1 313 ? 22.907 22.996 24.318 1.00 23.19 ? 654 ARG A CD 1 ATOM 2387 N NE . ARG A 1 313 ? 24.335 23.129 24.048 1.00 26.77 ? 654 ARG A NE 1 ATOM 2388 C CZ . ARG A 1 313 ? 25.273 22.362 24.594 1.00 28.56 ? 654 ARG A CZ 1 ATOM 2389 N NH1 . ARG A 1 313 ? 24.936 21.403 25.445 1.00 29.68 ? 654 ARG A NH1 1 ATOM 2390 N NH2 . ARG A 1 313 ? 26.550 22.554 24.290 1.00 30.14 ? 654 ARG A NH2 1 ATOM 2391 N N . PRO A 1 314 ? 18.475 19.178 22.403 1.00 14.70 ? 655 PRO A N 1 ATOM 2392 C CA . PRO A 1 314 ? 17.149 18.703 22.727 1.00 14.12 ? 655 PRO A CA 1 ATOM 2393 C C . PRO A 1 314 ? 17.095 17.746 23.868 1.00 13.29 ? 655 PRO A C 1 ATOM 2394 O O . PRO A 1 314 ? 17.975 16.968 24.071 1.00 13.64 ? 655 PRO A O 1 ATOM 2395 C CB . PRO A 1 314 ? 16.686 18.021 21.457 1.00 13.98 ? 655 PRO A CB 1 ATOM 2396 C CG . PRO A 1 314 ? 17.912 17.536 20.842 1.00 15.15 ? 655 PRO A CG 1 ATOM 2397 C CD . PRO A 1 314 ? 18.991 18.539 21.190 1.00 15.07 ? 655 PRO A CD 1 ATOM 2398 N N . THR A 1 315 ? 16.024 17.855 24.605 1.00 12.80 ? 656 THR A N 1 ATOM 2399 C CA . THR A 1 315 ? 15.717 16.862 25.612 1.00 12.55 ? 656 THR A CA 1 ATOM 2400 C C . THR A 1 315 ? 15.297 15.604 24.872 1.00 12.13 ? 656 THR A C 1 ATOM 2401 O O . THR A 1 315 ? 15.039 15.650 23.667 1.00 11.99 ? 656 THR A O 1 ATOM 2402 C CB . THR A 1 315 ? 14.541 17.287 26.489 1.00 12.26 ? 656 THR A CB 1 ATOM 2403 O OG1 . THR A 1 315 ? 13.358 17.380 25.681 1.00 13.37 ? 656 THR A OG1 1 ATOM 2404 C CG2 . THR A 1 315 ? 14.813 18.634 27.159 1.00 13.18 ? 656 THR A CG2 1 ATOM 2405 N N . TYR A 1 316 ? 15.208 14.485 25.582 1.00 12.26 ? 657 TYR A N 1 ATOM 2406 C CA . TYR A 1 316 ? 14.809 13.262 24.909 1.00 12.73 ? 657 TYR A CA 1 ATOM 2407 C C . TYR A 1 316 ? 13.399 13.403 24.353 1.00 13.09 ? 657 TYR A C 1 ATOM 2408 O O . TYR A 1 316 ? 13.090 12.828 23.320 1.00 13.47 ? 657 TYR A O 1 ATOM 2409 C CB . TYR A 1 316 ? 14.920 12.052 25.810 1.00 12.90 ? 657 TYR A CB 1 ATOM 2410 C CG . TYR A 1 316 ? 13.740 11.816 26.699 1.00 12.94 ? 657 TYR A CG 1 ATOM 2411 C CD1 . TYR A 1 316 ? 12.722 10.928 26.346 1.00 13.98 ? 657 TYR A CD1 1 ATOM 2412 C CD2 . TYR A 1 316 ? 13.649 12.456 27.932 1.00 13.85 ? 657 TYR A CD2 1 ATOM 2413 C CE1 . TYR A 1 316 ? 11.644 10.698 27.197 1.00 15.55 ? 657 TYR A CE1 1 ATOM 2414 C CE2 . TYR A 1 316 ? 12.573 12.230 28.783 1.00 15.17 ? 657 TYR A CE2 1 ATOM 2415 C CZ . TYR A 1 316 ? 11.571 11.352 28.409 1.00 16.33 ? 657 TYR A CZ 1 ATOM 2416 O OH . TYR A 1 316 ? 10.507 11.136 29.258 1.00 19.40 ? 657 TYR A OH 1 ATOM 2417 N N . GLU A 1 317 ? 12.544 14.151 25.013 1.00 13.35 ? 658 GLU A N 1 ATOM 2418 C CA . GLU A 1 317 ? 11.173 14.321 24.564 1.00 14.63 ? 658 GLU A CA 1 ATOM 2419 C C . GLU A 1 317 ? 11.122 15.186 23.320 1.00 14.13 ? 658 GLU A C 1 ATOM 2420 O O . GLU A 1 317 ? 10.323 14.935 22.414 1.00 14.59 ? 658 GLU A O 1 ATOM 2421 C CB . GLU A 1 317 ? 10.335 14.962 25.653 1.00 15.46 ? 658 GLU A CB 1 ATOM 2422 C CG . GLU A 1 317 ? 9.925 13.977 26.729 1.00 19.42 ? 658 GLU A CG 1 ATOM 2423 C CD . GLU A 1 317 ? 9.249 14.599 27.907 1.00 24.19 ? 658 GLU A CD 1 ATOM 2424 O OE1 . GLU A 1 317 ? 9.936 15.326 28.657 1.00 27.67 ? 658 GLU A OE1 1 ATOM 2425 O OE2 . GLU A 1 317 ? 8.031 14.378 28.084 1.00 27.92 ? 658 GLU A OE2 1 ATOM 2426 N N . GLU A 1 318 ? 11.964 16.209 23.269 1.00 13.59 ? 659 GLU A N 1 ATOM 2427 C CA . GLU A 1 318 ? 12.046 17.027 22.075 1.00 13.48 ? 659 GLU A CA 1 ATOM 2428 C C . GLU A 1 318 ? 12.600 16.218 20.916 1.00 13.33 ? 659 GLU A C 1 ATOM 2429 O O . GLU A 1 318 ? 12.148 16.360 19.777 1.00 13.68 ? 659 GLU A O 1 ATOM 2430 C CB . GLU A 1 318 ? 12.928 18.248 22.324 1.00 13.50 ? 659 GLU A CB 1 ATOM 2431 C CG . GLU A 1 318 ? 12.275 19.316 23.175 1.00 13.66 ? 659 GLU A CG 1 ATOM 2432 C CD . GLU A 1 318 ? 13.219 20.456 23.487 1.00 13.72 ? 659 GLU A CD 1 ATOM 2433 O OE1 . GLU A 1 318 ? 14.381 20.219 23.876 1.00 12.77 ? 659 GLU A OE1 1 ATOM 2434 O OE2 . GLU A 1 318 ? 12.808 21.618 23.333 1.00 14.31 ? 659 GLU A OE2 1 ATOM 2435 N N . TYR A 1 319 ? 13.587 15.372 21.200 1.00 12.67 ? 660 TYR A N 1 ATOM 2436 C CA . TYR A 1 319 ? 14.201 14.571 20.152 1.00 13.00 ? 660 TYR A CA 1 ATOM 2437 C C . TYR A 1 319 ? 13.197 13.585 19.553 1.00 13.38 ? 660 TYR A C 1 ATOM 2438 O O . TYR A 1 319 ? 13.101 13.441 18.331 1.00 13.89 ? 660 TYR A O 1 ATOM 2439 C CB . TYR A 1 319 ? 15.436 13.816 20.663 1.00 12.49 ? 660 TYR A CB 1 ATOM 2440 C CG . TYR A 1 319 ? 16.033 13.021 19.535 1.00 12.02 ? 660 TYR A CG 1 ATOM 2441 C CD1 . TYR A 1 319 ? 16.788 13.651 18.558 1.00 13.00 ? 660 TYR A CD1 1 ATOM 2442 C CD2 . TYR A 1 319 ? 15.764 11.669 19.396 1.00 12.48 ? 660 TYR A CD2 1 ATOM 2443 C CE1 . TYR A 1 319 ? 17.305 12.950 17.491 1.00 12.68 ? 660 TYR A CE1 1 ATOM 2444 C CE2 . TYR A 1 319 ? 16.260 10.957 18.329 1.00 11.79 ? 660 TYR A CE2 1 ATOM 2445 C CZ . TYR A 1 319 ? 17.022 11.598 17.381 1.00 12.28 ? 660 TYR A CZ 1 ATOM 2446 O OH . TYR A 1 319 ? 17.514 10.890 16.305 1.00 13.40 ? 660 TYR A OH 1 ATOM 2447 N N . LEU A 1 320 ? 12.448 12.907 20.419 1.00 13.48 ? 661 LEU A N 1 ATOM 2448 C CA . LEU A 1 320 ? 11.487 11.904 19.971 1.00 14.41 ? 661 LEU A CA 1 ATOM 2449 C C . LEU A 1 320 ? 10.257 12.543 19.344 1.00 15.75 ? 661 LEU A C 1 ATOM 2450 O O . LEU A 1 320 ? 9.628 11.963 18.450 1.00 16.29 ? 661 LEU A O 1 ATOM 2451 C CB . LEU A 1 320 ? 11.048 11.033 21.144 1.00 14.04 ? 661 LEU A CB 1 ATOM 2452 C CG . LEU A 1 320 ? 12.131 10.118 21.705 1.00 13.22 ? 661 LEU A CG 1 ATOM 2453 C CD1 . LEU A 1 320 ? 11.566 9.332 22.862 1.00 14.01 ? 661 LEU A CD1 1 ATOM 2454 C CD2 . LEU A 1 320 ? 12.663 9.176 20.611 1.00 12.91 ? 661 LEU A CD2 1 ATOM 2455 N N . GLY A 1 321 ? 9.902 13.725 19.846 1.00 16.67 ? 662 GLY A N 1 ATOM 2456 C CA . GLY A 1 321 ? 8.699 14.426 19.408 1.00 18.71 ? 662 GLY A CA 1 ATOM 2457 C C . GLY A 1 321 ? 7.520 14.114 20.305 1.00 19.93 ? 662 GLY A C 1 ATOM 2458 O O . GLY A 1 321 ? 7.319 12.973 20.717 1.00 19.65 ? 662 GLY A O 1 ATOM 2459 N N . THR A 1 322 ? 6.735 15.140 20.615 1.00 21.38 ? 663 THR A N 1 ATOM 2460 C CA . THR A 1 322 ? 5.627 15.017 21.550 1.00 22.78 ? 663 THR A CA 1 ATOM 2461 C C . THR A 1 322 ? 4.632 13.937 21.125 1.00 22.87 ? 663 THR A C 1 ATOM 2462 O O . THR A 1 322 ? 4.153 13.173 21.963 1.00 23.27 ? 663 THR A O 1 ATOM 2463 C CB . THR A 1 322 ? 4.902 16.372 21.725 1.00 22.98 ? 663 THR A CB 1 ATOM 2464 O OG1 . THR A 1 322 ? 5.870 17.395 21.995 1.00 25.02 ? 663 THR A OG1 1 ATOM 2465 C CG2 . THR A 1 322 ? 3.893 16.309 22.870 1.00 23.99 ? 663 THR A CG2 1 ATOM 2466 N N . GLU A 1 323 ? 4.338 13.888 19.827 1.00 23.44 ? 664 GLU A N 1 ATOM 2467 C CA . GLU A 1 323 ? 3.473 12.871 19.224 1.00 23.95 ? 664 GLU A CA 1 ATOM 2468 C C . GLU A 1 323 ? 3.890 11.473 19.647 1.00 22.86 ? 664 GLU A C 1 ATOM 2469 O O . GLU A 1 323 ? 3.108 10.708 20.212 1.00 23.03 ? 664 GLU A O 1 ATOM 2470 C CB . GLU A 1 323 ? 3.594 12.929 17.701 1.00 24.66 ? 664 GLU A CB 1 ATOM 2471 C CG . GLU A 1 323 ? 2.554 13.762 16.965 1.00 28.32 ? 664 GLU A CG 1 ATOM 2472 C CD . GLU A 1 323 ? 2.490 13.411 15.478 1.00 31.50 ? 664 GLU A CD 1 ATOM 2473 O OE1 . GLU A 1 323 ? 2.397 12.207 15.146 1.00 33.76 ? 664 GLU A OE1 1 ATOM 2474 O OE2 . GLU A 1 323 ? 2.532 14.337 14.638 1.00 34.61 ? 664 GLU A OE2 1 ATOM 2475 N N . TYR A 1 324 ? 5.140 11.143 19.352 1.00 21.58 ? 665 TYR A N 1 ATOM 2476 C CA . TYR A 1 324 ? 5.642 9.802 19.594 1.00 20.17 ? 665 TYR A CA 1 ATOM 2477 C C . TYR A 1 324 ? 5.737 9.499 21.089 1.00 20.12 ? 665 TYR A C 1 ATOM 2478 O O . TYR A 1 324 ? 5.423 8.396 21.523 1.00 19.66 ? 665 TYR A O 1 ATOM 2479 C CB . TYR A 1 324 ? 6.983 9.600 18.880 1.00 19.66 ? 665 TYR A CB 1 ATOM 2480 C CG . TYR A 1 324 ? 7.563 8.214 19.035 1.00 17.27 ? 665 TYR A CG 1 ATOM 2481 C CD1 . TYR A 1 324 ? 6.749 7.089 19.000 1.00 16.80 ? 665 TYR A CD1 1 ATOM 2482 C CD2 . TYR A 1 324 ? 8.922 8.031 19.203 1.00 16.28 ? 665 TYR A CD2 1 ATOM 2483 C CE1 . TYR A 1 324 ? 7.282 5.817 19.142 1.00 14.62 ? 665 TYR A CE1 1 ATOM 2484 C CE2 . TYR A 1 324 ? 9.462 6.774 19.339 1.00 15.21 ? 665 TYR A CE2 1 ATOM 2485 C CZ . TYR A 1 324 ? 8.644 5.673 19.311 1.00 14.59 ? 665 TYR A CZ 1 ATOM 2486 O OH . TYR A 1 324 ? 9.202 4.429 19.468 1.00 13.07 ? 665 TYR A OH 1 ATOM 2487 N N . VAL A 1 325 ? 6.153 10.485 21.880 1.00 20.21 ? 666 VAL A N 1 ATOM 2488 C CA . VAL A 1 325 ? 6.250 10.312 23.318 1.00 20.93 ? 666 VAL A CA 1 ATOM 2489 C C . VAL A 1 325 ? 4.904 9.937 23.923 1.00 21.30 ? 666 VAL A C 1 ATOM 2490 O O . VAL A 1 325 ? 4.809 9.026 24.750 1.00 21.19 ? 666 VAL A O 1 ATOM 2491 C CB . VAL A 1 325 ? 6.770 11.598 23.993 1.00 21.05 ? 666 VAL A CB 1 ATOM 2492 C CG1 . VAL A 1 325 ? 6.611 11.515 25.499 1.00 21.24 ? 666 VAL A CG1 1 ATOM 2493 C CG2 . VAL A 1 325 ? 8.221 11.828 23.618 1.00 21.09 ? 666 VAL A CG2 1 ATOM 2494 N N . THR A 1 326 ? 3.862 10.643 23.506 1.00 22.38 ? 667 THR A N 1 ATOM 2495 C CA . THR A 1 326 ? 2.537 10.371 24.037 1.00 23.38 ? 667 THR A CA 1 ATOM 2496 C C . THR A 1 326 ? 2.063 8.987 23.594 1.00 22.93 ? 667 THR A C 1 ATOM 2497 O O . THR A 1 326 ? 1.446 8.266 24.373 1.00 23.62 ? 667 THR A O 1 ATOM 2498 C CB . THR A 1 326 ? 1.522 11.452 23.635 1.00 23.73 ? 667 THR A CB 1 ATOM 2499 O OG1 . THR A 1 326 ? 1.160 11.293 22.258 1.00 26.44 ? 667 THR A OG1 1 ATOM 2500 C CG2 . THR A 1 326 ? 2.115 12.831 23.852 1.00 24.03 ? 667 THR A CG2 1 ATOM 2501 N N . ALA A 1 327 ? 2.367 8.619 22.351 1.00 22.45 ? 668 ALA A N 1 ATOM 2502 C CA . ALA A 1 327 ? 2.005 7.297 21.832 1.00 21.81 ? 668 ALA A CA 1 ATOM 2503 C C . ALA A 1 327 ? 2.648 6.187 22.660 1.00 21.26 ? 668 ALA A C 1 ATOM 2504 O O . ALA A 1 327 ? 2.001 5.195 22.994 1.00 21.03 ? 668 ALA A O 1 ATOM 2505 C CB . ALA A 1 327 ? 2.399 7.168 20.374 1.00 21.79 ? 668 ALA A CB 1 ATOM 2506 N N . ILE A 1 328 ? 3.927 6.352 22.983 1.00 20.65 ? 669 ILE A N 1 ATOM 2507 C CA . ILE A 1 328 ? 4.617 5.372 23.808 1.00 20.60 ? 669 ILE A CA 1 ATOM 2508 C C . ILE A 1 328 ? 3.981 5.306 25.191 1.00 21.02 ? 669 ILE A C 1 ATOM 2509 O O . ILE A 1 328 ? 3.706 4.228 25.709 1.00 20.48 ? 669 ILE A O 1 ATOM 2510 C CB . ILE A 1 328 ? 6.113 5.707 23.963 1.00 20.23 ? 669 ILE A CB 1 ATOM 2511 C CG1 . ILE A 1 328 ? 6.821 5.674 22.611 1.00 20.00 ? 669 ILE A CG1 1 ATOM 2512 C CG2 . ILE A 1 328 ? 6.777 4.733 24.917 1.00 20.29 ? 669 ILE A CG2 1 ATOM 2513 C CD1 . ILE A 1 328 ? 8.228 6.200 22.684 1.00 17.38 ? 669 ILE A CD1 1 ATOM 2514 N N . ALA A 1 329 ? 3.754 6.471 25.788 1.00 22.07 ? 670 ALA A N 1 ATOM 2515 C CA . ALA A 1 329 ? 3.158 6.543 27.113 1.00 22.91 ? 670 ALA A CA 1 ATOM 2516 C C . ALA A 1 329 ? 1.828 5.803 27.148 1.00 23.32 ? 670 ALA A C 1 ATOM 2517 O O . ALA A 1 329 ? 1.570 5.016 28.061 1.00 23.86 ? 670 ALA A O 1 ATOM 2518 C CB . ALA A 1 329 ? 2.968 7.995 27.526 1.00 23.11 ? 670 ALA A CB 1 ATOM 2519 N N . ASN A 1 330 ? 0.990 6.062 26.148 1.00 23.80 ? 671 ASN A N 1 ATOM 2520 C CA . ASN A 1 330 ? -0.314 5.412 26.050 1.00 24.11 ? 671 ASN A CA 1 ATOM 2521 C C . ASN A 1 330 ? -0.186 3.897 25.942 1.00 23.93 ? 671 ASN A C 1 ATOM 2522 O O . ASN A 1 330 ? -0.910 3.154 26.602 1.00 23.98 ? 671 ASN A O 1 ATOM 2523 C CB . ASN A 1 330 ? -1.112 5.970 24.867 1.00 24.50 ? 671 ASN A CB 1 ATOM 2524 C CG . ASN A 1 330 ? -1.958 7.180 25.245 1.00 26.05 ? 671 ASN A CG 1 ATOM 2525 O OD1 . ASN A 1 330 ? -2.859 7.086 26.080 1.00 28.76 ? 671 ASN A OD1 1 ATOM 2526 N ND2 . ASN A 1 330 ? -1.687 8.315 24.610 1.00 27.42 ? 671 ASN A ND2 1 ATOM 2527 N N . LEU A 1 331 ? 0.738 3.430 25.108 1.00 23.58 ? 672 LEU A N 1 ATOM 2528 C CA . LEU A 1 331 ? 0.948 1.997 24.974 1.00 23.46 ? 672 LEU A CA 1 ATOM 2529 C C . LEU A 1 331 ? 1.441 1.382 26.281 1.00 24.16 ? 672 LEU A C 1 ATOM 2530 O O . LEU A 1 331 ? 1.018 0.295 26.655 1.00 23.90 ? 672 LEU A O 1 ATOM 2531 C CB . LEU A 1 331 ? 1.931 1.689 23.843 1.00 22.88 ? 672 LEU A CB 1 ATOM 2532 C CG . LEU A 1 331 ? 2.315 0.218 23.660 1.00 21.27 ? 672 LEU A CG 1 ATOM 2533 C CD1 . LEU A 1 331 ? 1.110 -0.652 23.300 1.00 21.25 ? 672 LEU A CD1 1 ATOM 2534 C CD2 . LEU A 1 331 ? 3.397 0.107 22.593 1.00 19.29 ? 672 LEU A CD2 1 ATOM 2535 N N . LYS A 1 332 ? 2.362 2.055 26.978 1.00 25.51 ? 673 LYS A N 1 ATOM 2536 C CA . LYS A 1 332 ? 2.956 1.530 28.206 1.00 27.14 ? 673 LYS A CA 1 ATOM 2537 C C . LYS A 1 332 ? 1.902 1.376 29.319 1.00 27.90 ? 673 LYS A C 1 ATOM 2538 O O . LYS A 1 332 ? 2.125 0.657 30.278 1.00 28.34 ? 673 LYS A O 1 ATOM 2539 C CB . LYS A 1 332 ? 4.160 2.371 28.628 1.00 27.25 ? 673 LYS A CB 1 ATOM 2540 C CG . LYS A 1 332 ? 5.325 2.344 27.633 1.00 28.45 ? 673 LYS A CG 1 ATOM 2541 C CD . LYS A 1 332 ? 6.679 2.073 28.251 1.00 29.49 ? 673 LYS A CD 1 ATOM 2542 C CE . LYS A 1 332 ? 7.745 2.049 27.160 1.00 29.85 ? 673 LYS A CE 1 ATOM 2543 N NZ . LYS A 1 332 ? 9.112 2.252 27.711 1.00 30.50 ? 673 LYS A NZ 1 ATOM 2544 N N . LYS A 1 333 ? 0.757 2.038 29.197 1.00 29.01 ? 674 LYS A N 1 ATOM 2545 C CA . LYS A 1 333 ? -0.300 1.919 30.198 1.00 30.13 ? 674 LYS A CA 1 ATOM 2546 C C . LYS A 1 333 ? -0.887 0.512 30.187 1.00 30.72 ? 674 LYS A C 1 ATOM 2547 O O . LYS A 1 333 ? -1.539 0.086 31.143 1.00 30.93 ? 674 LYS A O 1 ATOM 2548 C CB . LYS A 1 333 ? -1.399 2.954 29.947 1.00 30.27 ? 674 LYS A CB 1 ATOM 2549 C CG . LYS A 1 333 ? -0.972 4.394 30.193 1.00 31.33 ? 674 LYS A CG 1 ATOM 2550 C CD . LYS A 1 333 ? -2.039 5.382 29.735 1.00 33.00 ? 674 LYS A CD 1 ATOM 2551 C CE . LYS A 1 333 ? -3.352 5.188 30.487 1.00 34.37 ? 674 LYS A CE 1 ATOM 2552 N NZ . LYS A 1 333 ? -3.297 5.663 31.906 1.00 35.73 ? 674 LYS A NZ 1 ATOM 2553 N N . CYS A 1 334 ? -0.653 -0.210 29.099 1.00 31.31 ? 675 CYS A N 1 ATOM 2554 C CA . CYS A 1 334 ? -1.163 -1.566 28.966 1.00 32.09 ? 675 CYS A CA 1 ATOM 2555 C C . CYS A 1 334 ? -0.417 -2.556 29.837 1.00 32.77 ? 675 CYS A C 1 ATOM 2556 O O . CYS A 1 334 ? -1.023 -3.389 30.508 1.00 33.25 ? 675 CYS A O 1 ATOM 2557 C CB . CYS A 1 334 ? -1.082 -2.013 27.516 1.00 31.98 ? 675 CYS A CB 1 ATOM 2558 S SG . CYS A 1 334 ? -2.378 -1.305 26.509 1.00 31.48 ? 675 CYS A SG 1 ATOM 2559 N N . SER A 1 335 ? 0.906 -2.473 29.809 1.00 33.48 ? 676 SER A N 1 ATOM 2560 C CA . SER A 1 335 ? 1.738 -3.392 30.571 1.00 34.07 ? 676 SER A CA 1 ATOM 2561 C C . SER A 1 335 ? 2.629 -2.642 31.556 1.00 34.30 ? 676 SER A C 1 ATOM 2562 O O . SER A 1 335 ? 2.242 -2.405 32.700 1.00 34.81 ? 676 SER A O 1 ATOM 2563 C CB . SER A 1 335 ? 2.589 -4.250 29.631 1.00 34.16 ? 676 SER A CB 1 ATOM 2564 O OG . SER A 1 335 ? 3.454 -3.451 28.842 1.00 34.91 ? 676 SER A OG 1 ATOM 2565 N N . LEU A 1 340 ? 4.015 6.787 33.983 1.00 43.41 ? 681 LEU A N 1 ATOM 2566 C CA . LEU A 1 340 ? 4.101 7.982 33.152 1.00 43.32 ? 681 LEU A CA 1 ATOM 2567 C C . LEU A 1 340 ? 5.441 8.687 33.338 1.00 43.16 ? 681 LEU A C 1 ATOM 2568 O O . LEU A 1 340 ? 5.796 9.578 32.566 1.00 43.27 ? 681 LEU A O 1 ATOM 2569 C CB . LEU A 1 340 ? 2.953 8.941 33.472 1.00 43.48 ? 681 LEU A CB 1 ATOM 2570 C CG . LEU A 1 340 ? 2.472 9.831 32.324 1.00 43.73 ? 681 LEU A CG 1 ATOM 2571 C CD1 . LEU A 1 340 ? 1.695 9.016 31.302 1.00 43.92 ? 681 LEU A CD1 1 ATOM 2572 C CD2 . LEU A 1 340 ? 1.629 10.981 32.852 1.00 43.76 ? 681 LEU A CD2 1 ATOM 2573 N N . GLU A 1 341 ? 6.179 8.282 34.365 1.00 42.71 ? 682 GLU A N 1 ATOM 2574 C CA . GLU A 1 341 ? 6.846 9.229 35.250 1.00 42.23 ? 682 GLU A CA 1 ATOM 2575 C C . GLU A 1 341 ? 8.361 9.065 35.194 1.00 41.46 ? 682 GLU A C 1 ATOM 2576 O O . GLU A 1 341 ? 9.099 10.047 35.114 1.00 41.65 ? 682 GLU A O 1 ATOM 2577 C CB . GLU A 1 341 ? 6.352 9.058 36.688 1.00 42.52 ? 682 GLU A CB 1 ATOM 2578 C CG . GLU A 1 341 ? 5.481 10.200 37.186 1.00 43.63 ? 682 GLU A CG 1 ATOM 2579 C CD . GLU A 1 341 ? 6.291 11.327 37.796 1.00 45.18 ? 682 GLU A CD 1 ATOM 2580 O OE1 . GLU A 1 341 ? 7.102 11.940 37.070 1.00 45.89 ? 682 GLU A OE1 1 ATOM 2581 O OE2 . GLU A 1 341 ? 6.118 11.600 39.002 1.00 46.08 ? 682 GLU A OE2 1 ATOM 2582 N N . ALA A 1 342 ? 8.818 7.818 35.236 1.00 40.24 ? 683 ALA A N 1 ATOM 2583 C CA . ALA A 1 342 ? 9.955 7.446 36.070 1.00 38.92 ? 683 ALA A CA 1 ATOM 2584 C C . ALA A 1 342 ? 10.805 6.373 35.398 1.00 37.87 ? 683 ALA A C 1 ATOM 2585 O O . ALA A 1 342 ? 10.339 5.668 34.503 1.00 37.77 ? 683 ALA A O 1 ATOM 2586 C CB . ALA A 1 342 ? 9.479 6.972 37.434 1.00 39.08 ? 683 ALA A CB 1 ATOM 2587 N N . CYS A 1 343 ? 12.024 6.256 35.866 1.00 36.51 ? 684 CYS A N 1 ATOM 2588 C CA . CYS A 1 343 ? 12.965 5.284 35.326 1.00 34.96 ? 684 CYS A CA 1 ATOM 2589 C C . CYS A 1 343 ? 12.439 3.832 35.550 1.00 35.46 ? 684 CYS A C 1 ATOM 2590 O O . CYS A 1 343 ? 12.054 3.499 36.671 1.00 35.57 ? 684 CYS A O 1 ATOM 2591 C CB . CYS A 1 343 ? 14.329 5.502 35.981 1.00 34.03 ? 684 CYS A CB 1 ATOM 2592 S SG . CYS A 1 343 ? 15.600 4.298 35.476 1.00 28.63 ? 684 CYS A SG 1 ATOM 2593 N N . ALA A 1 344 ? 12.433 3.007 34.508 1.00 35.78 ? 685 ALA A N 1 ATOM 2594 C CA . ALA A 1 344 ? 12.027 1.608 34.638 1.00 36.03 ? 685 ALA A CA 1 ATOM 2595 C C . ALA A 1 344 ? 13.092 0.753 35.319 1.00 36.24 ? 685 ALA A C 1 ATOM 2596 O O . ALA A 1 344 ? 13.089 -0.471 35.188 1.00 36.55 ? 685 ALA A O 1 ATOM 2597 C CB . ALA A 1 344 ? 11.680 1.021 33.280 1.00 36.06 ? 685 ALA A CB 1 ATOM 2598 N N . PHE A 1 345 ? 13.998 1.397 36.044 1.00 36.24 ? 686 PHE A N 1 ATOM 2599 C CA . PHE A 1 345 ? 15.060 0.680 36.728 1.00 36.22 ? 686 PHE A CA 1 ATOM 2600 C C . PHE A 1 345 ? 15.280 1.221 38.131 1.00 36.57 ? 686 PHE A C 1 ATOM 2601 O O . PHE A 1 345 ? 16.186 0.773 38.828 1.00 36.90 ? 686 PHE A O 1 ATOM 2602 C CB . PHE A 1 345 ? 16.361 0.753 35.929 1.00 35.89 ? 686 PHE A CB 1 ATOM 2603 C CG . PHE A 1 345 ? 16.221 0.289 34.511 1.00 34.70 ? 686 PHE A CG 1 ATOM 2604 C CD1 . PHE A 1 345 ? 15.866 -1.019 34.234 1.00 33.87 ? 686 PHE A CD1 1 ATOM 2605 C CD2 . PHE A 1 345 ? 16.442 1.159 33.457 1.00 33.69 ? 686 PHE A CD2 1 ATOM 2606 C CE1 . PHE A 1 345 ? 15.733 -1.453 32.929 1.00 33.32 ? 686 PHE A CE1 1 ATOM 2607 C CE2 . PHE A 1 345 ? 16.313 0.729 32.148 1.00 32.99 ? 686 PHE A CE2 1 ATOM 2608 C CZ . PHE A 1 345 ? 15.958 -0.577 31.885 1.00 33.42 ? 686 PHE A CZ 1 ATOM 2609 O OXT . PHE A 1 345 ? 14.564 2.110 38.592 1.00 36.89 ? 686 PHE A OXT 1 HETATM 2610 FE FE . FE B 2 . ? 14.193 1.772 14.958 1.00 9.69 ? 999 FE A FE 1 HETATM 2611 C C . CO3 C 3 . ? 12.810 -0.272 15.202 1.00 10.90 ? 687 CO3 A C 1 HETATM 2612 O O1 . CO3 C 3 . ? 14.076 -0.343 15.495 1.00 11.84 ? 687 CO3 A O1 1 HETATM 2613 O O2 . CO3 C 3 . ? 12.321 0.845 14.785 1.00 10.97 ? 687 CO3 A O2 1 HETATM 2614 O O3 . CO3 C 3 . ? 12.029 -1.307 15.316 1.00 10.87 ? 687 CO3 A O3 1 HETATM 2615 C C1 . DIF D 4 . ? 12.836 13.558 15.301 1.00 71.43 ? 701 DIF A C1 1 HETATM 2616 C C2 . DIF D 4 . ? 11.665 14.272 15.542 1.00 71.43 ? 701 DIF A C2 1 HETATM 2617 CL CL2 . DIF D 4 . ? 10.176 13.505 15.103 1.00 71.78 ? 701 DIF A CL2 1 HETATM 2618 C C3 . DIF D 4 . ? 11.729 15.557 16.106 1.00 71.50 ? 701 DIF A C3 1 HETATM 2619 C C4 . DIF D 4 . ? 12.988 16.071 16.435 1.00 71.62 ? 701 DIF A C4 1 HETATM 2620 CL CL4 . DIF D 4 . ? 13.144 17.641 17.150 1.00 72.28 ? 701 DIF A CL4 1 HETATM 2621 C C5 . DIF D 4 . ? 14.149 15.343 16.191 1.00 71.49 ? 701 DIF A C5 1 HETATM 2622 C C6 . DIF D 4 . ? 14.081 14.081 15.623 1.00 71.20 ? 701 DIF A C6 1 HETATM 2623 N N1 . DIF D 4 . ? 10.654 16.324 16.404 1.00 71.28 ? 701 DIF A N1 1 HETATM 2624 C C7 . DIF D 4 . ? 8.508 17.264 16.530 1.00 71.11 ? 701 DIF A C7 1 HETATM 2625 C C8 . DIF D 4 . ? 9.554 16.762 15.735 1.00 71.18 ? 701 DIF A C8 1 HETATM 2626 C C9 . DIF D 4 . ? 9.420 16.745 14.339 1.00 71.21 ? 701 DIF A C9 1 HETATM 2627 C C10 . DIF D 4 . ? 8.265 17.207 13.721 1.00 71.18 ? 701 DIF A C10 1 HETATM 2628 C C11 . DIF D 4 . ? 7.226 17.703 14.494 1.00 71.18 ? 701 DIF A C11 1 HETATM 2629 C C12 . DIF D 4 . ? 7.359 17.726 15.877 1.00 71.14 ? 701 DIF A C12 1 HETATM 2630 C C13 . DIF D 4 . ? 8.696 17.275 18.085 1.00 71.01 ? 701 DIF A C13 1 HETATM 2631 C C14 . DIF D 4 . ? 7.670 17.752 19.151 1.00 70.86 ? 701 DIF A C14 1 HETATM 2632 O O1 . DIF D 4 . ? 6.580 18.285 18.846 1.00 71.08 ? 701 DIF A O1 1 HETATM 2633 O O2 . DIF D 4 . ? 8.055 17.573 20.326 1.00 70.76 ? 701 DIF A O2 1 HETATM 2634 S S . SO4 E 5 . ? -1.504 -6.822 -4.574 1.00 28.64 ? 1 SO4 A S 1 HETATM 2635 O O1 . SO4 E 5 . ? -1.421 -5.902 -3.442 1.00 29.55 ? 1 SO4 A O1 1 HETATM 2636 O O2 . SO4 E 5 . ? -2.797 -6.652 -5.233 1.00 30.52 ? 1 SO4 A O2 1 HETATM 2637 O O3 . SO4 E 5 . ? -0.441 -6.514 -5.522 1.00 29.63 ? 1 SO4 A O3 1 HETATM 2638 O O4 . SO4 E 5 . ? -1.362 -8.202 -4.118 1.00 29.94 ? 1 SO4 A O4 1 HETATM 2639 S S . SO4 F 5 . ? 37.275 14.361 29.440 1.00 45.43 ? 2 SO4 A S 1 HETATM 2640 O O1 . SO4 F 5 . ? 36.553 15.348 28.639 1.00 45.80 ? 2 SO4 A O1 1 HETATM 2641 O O2 . SO4 F 5 . ? 36.328 13.360 29.927 1.00 45.76 ? 2 SO4 A O2 1 HETATM 2642 O O3 . SO4 F 5 . ? 38.306 13.720 28.629 1.00 45.39 ? 2 SO4 A O3 1 HETATM 2643 O O4 . SO4 F 5 . ? 37.909 15.024 30.580 1.00 45.87 ? 2 SO4 A O4 1 HETATM 2644 ZN ZN . ZN G 6 . ? 14.660 22.385 23.944 1.00 14.18 ? 688 ZN A ZN 1 HETATM 2645 ZN ZN . ZN H 6 . ? 2.931 10.053 7.444 1.00 17.53 ? 689 ZN A ZN 1 HETATM 2646 C C1 . NAG I 7 . ? 42.762 9.432 20.429 1.00 27.15 ? 690 NAG A C1 1 HETATM 2647 C C2 . NAG I 7 . ? 43.092 9.761 18.980 1.00 29.25 ? 690 NAG A C2 1 HETATM 2648 C C3 . NAG I 7 . ? 44.216 10.786 18.931 1.00 30.91 ? 690 NAG A C3 1 HETATM 2649 C C4 . NAG I 7 . ? 43.899 11.995 19.786 1.00 32.31 ? 690 NAG A C4 1 HETATM 2650 C C5 . NAG I 7 . ? 43.424 11.561 21.163 1.00 30.94 ? 690 NAG A C5 1 HETATM 2651 C C6 . NAG I 7 . ? 42.962 12.766 21.974 1.00 30.92 ? 690 NAG A C6 1 HETATM 2652 C C7 . NAG I 7 . ? 42.625 7.777 17.619 1.00 28.54 ? 690 NAG A C7 1 HETATM 2653 C C8 . NAG I 7 . ? 43.240 6.686 16.798 1.00 27.09 ? 690 NAG A C8 1 HETATM 2654 N N2 . NAG I 7 . ? 43.487 8.558 18.272 1.00 28.32 ? 690 NAG A N2 1 HETATM 2655 O O3 . NAG I 7 . ? 44.420 11.253 17.620 1.00 32.02 ? 690 NAG A O3 1 HETATM 2656 O O4 . NAG I 7 . ? 45.088 12.736 19.914 1.00 36.12 ? 690 NAG A O4 1 HETATM 2657 O O5 . NAG I 7 . ? 42.366 10.633 21.047 1.00 28.42 ? 690 NAG A O5 1 HETATM 2658 O O6 . NAG I 7 . ? 41.928 13.445 21.300 1.00 31.88 ? 690 NAG A O6 1 HETATM 2659 O O7 . NAG I 7 . ? 41.396 7.904 17.657 1.00 28.90 ? 690 NAG A O7 1 HETATM 2660 C C1 . NAG J 7 . ? 44.825 14.113 19.596 1.00 39.87 ? 691 NAG A C1 1 HETATM 2661 C C2 . NAG J 7 . ? 45.873 14.992 20.265 1.00 41.43 ? 691 NAG A C2 1 HETATM 2662 C C3 . NAG J 7 . ? 45.678 16.439 19.850 1.00 42.58 ? 691 NAG A C3 1 HETATM 2663 C C4 . NAG J 7 . ? 45.567 16.568 18.341 1.00 42.89 ? 691 NAG A C4 1 HETATM 2664 C C5 . NAG J 7 . ? 44.542 15.606 17.767 1.00 42.65 ? 691 NAG A C5 1 HETATM 2665 C C6 . NAG J 7 . ? 44.797 15.540 16.283 1.00 43.33 ? 691 NAG A C6 1 HETATM 2666 C C7 . NAG J 7 . ? 46.614 14.165 22.440 1.00 42.93 ? 691 NAG A C7 1 HETATM 2667 C C8 . NAG J 7 . ? 46.706 14.509 23.897 1.00 43.18 ? 691 NAG A C8 1 HETATM 2668 N N2 . NAG J 7 . ? 45.783 14.908 21.711 1.00 42.41 ? 691 NAG A N2 1 HETATM 2669 O O3 . NAG J 7 . ? 46.775 17.204 20.294 1.00 43.08 ? 691 NAG A O3 1 HETATM 2670 O O4 . NAG J 7 . ? 45.216 17.904 18.040 1.00 43.69 ? 691 NAG A O4 1 HETATM 2671 O O5 . NAG J 7 . ? 44.838 14.302 18.200 1.00 41.43 ? 691 NAG A O5 1 HETATM 2672 O O6 . NAG J 7 . ? 46.048 14.898 16.246 1.00 43.80 ? 691 NAG A O6 1 HETATM 2673 O O7 . NAG J 7 . ? 47.281 13.238 21.979 1.00 43.82 ? 691 NAG A O7 1 HETATM 2674 C C1 . NAG K 7 . ? -3.482 5.836 20.662 1.00 33.00 ? 3 NAG A C1 1 HETATM 2675 C C2 . NAG K 7 . ? -2.464 6.643 19.863 1.00 35.07 ? 3 NAG A C2 1 HETATM 2676 C C3 . NAG K 7 . ? -2.023 7.896 20.616 1.00 36.19 ? 3 NAG A C3 1 HETATM 2677 C C4 . NAG K 7 . ? -3.224 8.679 21.148 1.00 37.60 ? 3 NAG A C4 1 HETATM 2678 C C5 . NAG K 7 . ? -4.184 7.735 21.862 1.00 36.28 ? 3 NAG A C5 1 HETATM 2679 C C6 . NAG K 7 . ? -5.438 8.476 22.308 1.00 36.31 ? 3 NAG A C6 1 HETATM 2680 C C7 . NAG K 7 . ? -0.862 5.719 18.292 1.00 34.64 ? 3 NAG A C7 1 HETATM 2681 C C8 . NAG K 7 . ? 0.341 4.848 18.083 1.00 34.42 ? 3 NAG A C8 1 HETATM 2682 N N2 . NAG K 7 . ? -1.307 5.827 19.540 1.00 34.63 ? 3 NAG A N2 1 HETATM 2683 O O3 . NAG K 7 . ? -1.282 8.724 19.746 1.00 35.89 ? 3 NAG A O3 1 HETATM 2684 O O4 . NAG K 7 . ? -2.813 9.697 22.044 1.00 41.13 ? 3 NAG A O4 1 HETATM 2685 O O5 . NAG K 7 . ? -4.560 6.682 21.000 1.00 34.35 ? 3 NAG A O5 1 HETATM 2686 O O6 . NAG K 7 . ? -5.880 9.316 21.265 1.00 37.14 ? 3 NAG A O6 1 HETATM 2687 O O7 . NAG K 7 . ? -1.387 6.290 17.337 1.00 35.46 ? 3 NAG A O7 1 HETATM 2688 C C1 . NAG L 7 . ? -3.134 11.022 21.712 1.00 44.81 ? 4 NAG A C1 1 HETATM 2689 C C2 . NAG L 7 . ? -3.245 11.973 22.872 1.00 46.41 ? 4 NAG A C2 1 HETATM 2690 C C3 . NAG L 7 . ? -3.646 13.372 22.415 1.00 48.07 ? 4 NAG A C3 1 HETATM 2691 C C4 . NAG L 7 . ? -2.783 13.923 21.316 1.00 49.45 ? 4 NAG A C4 1 HETATM 2692 C C5 . NAG L 7 . ? -2.730 12.848 20.237 1.00 48.16 ? 4 NAG A C5 1 HETATM 2693 C C6 . NAG L 7 . ? -1.710 13.130 19.149 1.00 48.14 ? 4 NAG A C6 1 HETATM 2694 C C7 . NAG L 7 . ? -4.074 10.995 24.952 1.00 46.46 ? 4 NAG A C7 1 HETATM 2695 C C8 . NAG L 7 . ? -5.264 10.427 25.626 1.00 46.41 ? 4 NAG A C8 1 HETATM 2696 N N2 . NAG L 7 . ? -4.235 11.493 23.773 1.00 46.39 ? 4 NAG A N2 1 HETATM 2697 O O3 . NAG L 7 . ? -3.607 14.133 23.571 1.00 48.68 ? 4 NAG A O3 1 HETATM 2698 O O4 . NAG L 7 . ? -3.194 15.163 20.750 1.00 52.69 ? 4 NAG A O4 1 HETATM 2699 O O5 . NAG L 7 . ? -2.430 11.556 20.683 1.00 46.48 ? 4 NAG A O5 1 HETATM 2700 O O6 . NAG L 7 . ? -0.373 13.129 19.581 1.00 48.00 ? 4 NAG A O6 1 HETATM 2701 O O7 . NAG L 7 . ? -3.049 10.951 25.525 1.00 46.81 ? 4 NAG A O7 1 HETATM 2702 C C1 . MAN M 8 . ? -2.423 16.328 21.007 1.00 55.78 ? 5 MAN A C1 1 HETATM 2703 C C2 . MAN M 8 . ? -2.758 16.819 22.392 1.00 56.93 ? 5 MAN A C2 1 HETATM 2704 C C3 . MAN M 8 . ? -2.754 18.332 22.575 1.00 58.08 ? 5 MAN A C3 1 HETATM 2705 C C4 . MAN M 8 . ? -1.723 18.923 21.662 1.00 58.95 ? 5 MAN A C4 1 HETATM 2706 C C5 . MAN M 8 . ? -2.289 18.657 20.292 1.00 58.79 ? 5 MAN A C5 1 HETATM 2707 C C6 . MAN M 8 . ? -1.665 19.499 19.209 1.00 59.96 ? 5 MAN A C6 1 HETATM 2708 O O2 . MAN M 8 . ? -1.954 16.159 23.309 1.00 57.25 ? 5 MAN A O2 1 HETATM 2709 O O3 . MAN M 8 . ? -2.650 18.764 23.918 1.00 58.18 ? 5 MAN A O3 1 HETATM 2710 O O4 . MAN M 8 . ? -1.559 20.275 22.062 1.00 60.39 ? 5 MAN A O4 1 HETATM 2711 O O5 . MAN M 8 . ? -2.500 17.287 19.945 1.00 57.26 ? 5 MAN A O5 1 HETATM 2712 O O6 . MAN M 8 . ? -0.301 19.212 19.011 1.00 61.51 ? 5 MAN A O6 1 HETATM 2713 C C1 . MAN N 8 . ? -2.100 21.578 22.350 1.00 61.58 ? 6 MAN A C1 1 HETATM 2714 C C2 . MAN N 8 . ? -3.194 21.966 23.341 1.00 62.04 ? 6 MAN A C2 1 HETATM 2715 C C3 . MAN N 8 . ? -3.960 23.205 22.880 1.00 62.35 ? 6 MAN A C3 1 HETATM 2716 C C4 . MAN N 8 . ? -3.069 24.308 22.301 1.00 62.47 ? 6 MAN A C4 1 HETATM 2717 C C5 . MAN N 8 . ? -1.877 23.771 21.505 1.00 62.37 ? 6 MAN A C5 1 HETATM 2718 C C6 . MAN N 8 . ? -0.837 24.866 21.275 1.00 62.46 ? 6 MAN A C6 1 HETATM 2719 O O2 . MAN N 8 . ? -2.631 22.196 24.615 1.00 62.17 ? 6 MAN A O2 1 HETATM 2720 O O3 . MAN N 8 . ? -4.672 23.720 23.983 1.00 62.57 ? 6 MAN A O3 1 HETATM 2721 O O4 . MAN N 8 . ? -3.861 25.134 21.471 1.00 62.71 ? 6 MAN A O4 1 HETATM 2722 O O5 . MAN N 8 . ? -1.262 22.699 22.187 1.00 62.00 ? 6 MAN A O5 1 HETATM 2723 O O6 . MAN N 8 . ? 0.371 24.310 20.800 1.00 62.69 ? 6 MAN A O6 1 HETATM 2724 C C1 . MAN O 8 . ? 0.682 19.977 18.123 1.00 62.51 ? 7 MAN A C1 1 HETATM 2725 C C2 . MAN O 8 . ? 2.028 20.396 18.669 1.00 62.82 ? 7 MAN A C2 1 HETATM 2726 C C3 . MAN O 8 . ? 2.180 21.872 18.311 1.00 63.04 ? 7 MAN A C3 1 HETATM 2727 C C4 . MAN O 8 . ? 1.605 22.234 16.931 1.00 63.15 ? 7 MAN A C4 1 HETATM 2728 C C5 . MAN O 8 . ? 0.540 21.297 16.333 1.00 63.21 ? 7 MAN A C5 1 HETATM 2729 C C6 . MAN O 8 . ? 0.495 21.360 14.805 1.00 63.42 ? 7 MAN A C6 1 HETATM 2730 O O2 . MAN O 8 . ? 3.049 19.637 18.061 1.00 63.02 ? 7 MAN A O2 1 HETATM 2731 O O3 . MAN O 8 . ? 3.542 22.244 18.362 1.00 63.10 ? 7 MAN A O3 1 HETATM 2732 O O4 . MAN O 8 . ? 1.075 23.543 17.022 1.00 63.28 ? 7 MAN A O4 1 HETATM 2733 O O5 . MAN O 8 . ? 0.754 19.962 16.722 1.00 62.99 ? 7 MAN A O5 1 HETATM 2734 O O6 . MAN O 8 . ? 1.741 20.980 14.263 1.00 63.74 ? 7 MAN A O6 1 HETATM 2735 C C1 . NAG P 7 . ? 13.055 3.485 1.114 1.00 22.00 ? 8 NAG A C1 1 HETATM 2736 C C2 . NAG P 7 . ? 13.111 4.908 0.561 1.00 24.75 ? 8 NAG A C2 1 HETATM 2737 C C3 . NAG P 7 . ? 14.044 4.941 -0.644 1.00 26.23 ? 8 NAG A C3 1 HETATM 2738 C C4 . NAG P 7 . ? 15.410 4.359 -0.313 1.00 26.56 ? 8 NAG A C4 1 HETATM 2739 C C5 . NAG P 7 . ? 15.255 3.010 0.364 1.00 24.39 ? 8 NAG A C5 1 HETATM 2740 C C6 . NAG P 7 . ? 16.602 2.509 0.870 1.00 23.12 ? 8 NAG A C6 1 HETATM 2741 C C7 . NAG P 7 . ? 11.220 6.444 0.753 1.00 25.31 ? 8 NAG A C7 1 HETATM 2742 C C8 . NAG P 7 . ? 9.898 6.878 0.191 1.00 25.26 ? 8 NAG A C8 1 HETATM 2743 N N2 . NAG P 7 . ? 11.787 5.378 0.189 1.00 25.13 ? 8 NAG A N2 1 HETATM 2744 O O3 . NAG P 7 . ? 14.235 6.263 -1.095 1.00 27.43 ? 8 NAG A O3 1 HETATM 2745 O O4 . NAG P 7 . ? 16.103 4.164 -1.520 1.00 30.21 ? 8 NAG A O4 1 HETATM 2746 O O5 . NAG P 7 . ? 14.372 3.125 1.456 1.00 22.12 ? 8 NAG A O5 1 HETATM 2747 O O6 . NAG P 7 . ? 17.184 3.532 1.646 1.00 22.40 ? 8 NAG A O6 1 HETATM 2748 O O7 . NAG P 7 . ? 11.727 7.073 1.678 1.00 26.22 ? 8 NAG A O7 1 HETATM 2749 C C1 . NAG Q 7 . ? 17.389 4.797 -1.474 1.00 34.34 ? 9 NAG A C1 1 HETATM 2750 C C2 . NAG Q 7 . ? 18.234 4.158 -2.583 1.00 35.89 ? 9 NAG A C2 1 HETATM 2751 C C3 . NAG Q 7 . ? 19.455 4.989 -2.951 1.00 38.08 ? 9 NAG A C3 1 HETATM 2752 C C4 . NAG Q 7 . ? 18.897 6.378 -3.186 1.00 40.08 ? 9 NAG A C4 1 HETATM 2753 C C5 . NAG Q 7 . ? 18.377 6.904 -1.886 1.00 38.59 ? 9 NAG A C5 1 HETATM 2754 C C6 . NAG Q 7 . ? 18.169 8.386 -2.161 1.00 38.71 ? 9 NAG A C6 1 HETATM 2755 C C7 . NAG Q 7 . ? 18.173 1.742 -2.938 1.00 35.28 ? 9 NAG A C7 1 HETATM 2756 C C8 . NAG Q 7 . ? 18.699 0.403 -2.513 1.00 35.30 ? 9 NAG A C8 1 HETATM 2757 N N2 . NAG Q 7 . ? 18.615 2.795 -2.246 1.00 35.29 ? 9 NAG A N2 1 HETATM 2758 O O3 . NAG Q 7 . ? 20.031 4.459 -4.121 1.00 37.98 ? 9 NAG A O3 1 HETATM 2759 O O4 . NAG Q 7 . ? 19.795 7.379 -3.540 1.00 44.52 ? 9 NAG A O4 1 HETATM 2760 O O5 . NAG Q 7 . ? 17.199 6.189 -1.631 1.00 36.52 ? 9 NAG A O5 1 HETATM 2761 O O6 . NAG Q 7 . ? 16.974 8.865 -1.585 1.00 39.86 ? 9 NAG A O6 1 HETATM 2762 O O7 . NAG Q 7 . ? 17.377 1.822 -3.876 1.00 35.07 ? 9 NAG A O7 1 HETATM 2763 C C1 . MAN R 8 . ? 21.219 7.463 -3.926 1.00 48.45 ? 10 MAN A C1 1 HETATM 2764 C C2 . MAN R 8 . ? 21.917 8.444 -3.036 1.00 50.43 ? 10 MAN A C2 1 HETATM 2765 C C3 . MAN R 8 . ? 21.902 9.668 -3.898 1.00 51.93 ? 10 MAN A C3 1 HETATM 2766 C C4 . MAN R 8 . ? 22.986 9.393 -4.911 1.00 53.22 ? 10 MAN A C4 1 HETATM 2767 C C5 . MAN R 8 . ? 22.472 8.319 -5.850 1.00 52.13 ? 10 MAN A C5 1 HETATM 2768 C C6 . MAN R 8 . ? 23.485 7.221 -6.146 1.00 52.16 ? 10 MAN A C6 1 HETATM 2769 O O2 . MAN R 8 . ? 23.246 8.057 -2.759 1.00 50.55 ? 10 MAN A O2 1 HETATM 2770 O O3 . MAN R 8 . ? 22.207 10.787 -3.099 1.00 52.22 ? 10 MAN A O3 1 HETATM 2771 O O4 . MAN R 8 . ? 23.280 10.574 -5.620 1.00 56.45 ? 10 MAN A O4 1 HETATM 2772 O O5 . MAN R 8 . ? 21.316 7.724 -5.303 1.00 50.30 ? 10 MAN A O5 1 HETATM 2773 O O6 . MAN R 8 . ? 22.782 6.133 -6.703 1.00 52.46 ? 10 MAN A O6 1 HETATM 2774 C C1 . MAN S 8 . ? 22.289 11.597 -5.948 1.00 59.27 ? 11 MAN A C1 1 HETATM 2775 C C2 . MAN S 8 . ? 20.840 11.408 -6.255 1.00 60.53 ? 11 MAN A C2 1 HETATM 2776 C C3 . MAN S 8 . ? 20.349 12.354 -7.321 1.00 61.63 ? 11 MAN A C3 1 HETATM 2777 C C4 . MAN S 8 . ? 20.857 13.781 -7.160 1.00 62.48 ? 11 MAN A C4 1 HETATM 2778 C C5 . MAN S 8 . ? 21.823 13.958 -5.976 1.00 61.72 ? 11 MAN A C5 1 HETATM 2779 C C6 . MAN S 8 . ? 21.086 14.726 -4.905 1.00 61.59 ? 11 MAN A C6 1 HETATM 2780 O O2 . MAN S 8 . ? 20.174 11.708 -5.065 1.00 60.71 ? 11 MAN A O2 1 HETATM 2781 O O3 . MAN S 8 . ? 18.949 12.376 -7.181 1.00 61.68 ? 11 MAN A O3 1 HETATM 2782 O O4 . MAN S 8 . ? 21.342 14.248 -8.421 1.00 64.50 ? 11 MAN A O4 1 HETATM 2783 O O5 . MAN S 8 . ? 22.232 12.810 -5.282 1.00 60.60 ? 11 MAN A O5 1 HETATM 2784 O O6 . MAN S 8 . ? 19.899 14.210 -4.330 1.00 61.60 ? 11 MAN A O6 1 HETATM 2785 C C1 . MAN T 8 . ? 20.381 14.704 -9.475 1.00 66.30 ? 12 MAN A C1 1 HETATM 2786 C C2 . MAN T 8 . ? 20.431 14.012 -10.812 1.00 67.06 ? 12 MAN A C2 1 HETATM 2787 C C3 . MAN T 8 . ? 19.958 14.776 -12.037 1.00 67.68 ? 12 MAN A C3 1 HETATM 2788 C C4 . MAN T 8 . ? 19.106 16.002 -11.729 1.00 68.15 ? 12 MAN A C4 1 HETATM 2789 C C5 . MAN T 8 . ? 18.931 16.376 -10.262 1.00 67.77 ? 12 MAN A C5 1 HETATM 2790 C C6 . MAN T 8 . ? 17.574 17.071 -10.076 1.00 67.89 ? 12 MAN A C6 1 HETATM 2791 O O2 . MAN T 8 . ? 19.530 12.968 -10.599 1.00 67.18 ? 12 MAN A O2 1 HETATM 2792 O O3 . MAN T 8 . ? 19.180 13.861 -12.772 1.00 67.73 ? 12 MAN A O3 1 HETATM 2793 O O4 . MAN T 8 . ? 19.716 17.118 -12.342 1.00 69.14 ? 12 MAN A O4 1 HETATM 2794 O O5 . MAN T 8 . ? 19.116 15.316 -9.330 1.00 67.06 ? 12 MAN A O5 1 HETATM 2795 O O6 . MAN T 8 . ? 16.518 16.160 -10.291 1.00 68.01 ? 12 MAN A O6 1 HETATM 2796 C C1 . MAN U 8 . ? 18.799 17.401 -13.421 1.00 70.03 ? 13 MAN A C1 1 HETATM 2797 C C2 . MAN U 8 . ? 18.724 18.903 -13.439 1.00 70.40 ? 13 MAN A C2 1 HETATM 2798 C C3 . MAN U 8 . ? 17.383 19.331 -13.953 1.00 70.65 ? 13 MAN A C3 1 HETATM 2799 C C4 . MAN U 8 . ? 16.472 18.337 -14.584 1.00 70.72 ? 13 MAN A C4 1 HETATM 2800 C C5 . MAN U 8 . ? 16.683 16.860 -14.505 1.00 70.66 ? 13 MAN A C5 1 HETATM 2801 C C6 . MAN U 8 . ? 16.204 16.167 -15.776 1.00 70.74 ? 13 MAN A C6 1 HETATM 2802 O O2 . MAN U 8 . ? 19.783 19.393 -14.240 1.00 70.55 ? 13 MAN A O2 1 HETATM 2803 O O3 . MAN U 8 . ? 17.334 20.467 -14.761 1.00 70.70 ? 13 MAN A O3 1 HETATM 2804 O O4 . MAN U 8 . ? 15.504 18.477 -13.632 1.00 70.88 ? 13 MAN A O4 1 HETATM 2805 O O5 . MAN U 8 . ? 18.044 16.652 -14.347 1.00 70.36 ? 13 MAN A O5 1 HETATM 2806 O O6 . MAN U 8 . ? 15.212 16.962 -16.385 1.00 70.83 ? 13 MAN A O6 1 HETATM 2807 C C1 . EOH V 9 . ? -6.827 1.176 25.700 1.00 47.24 ? 703 EOH A C1 1 HETATM 2808 C C2 . EOH V 9 . ? -7.069 1.528 24.238 1.00 47.27 ? 703 EOH A C2 1 HETATM 2809 O O . EOH V 9 . ? -7.228 -0.143 26.000 1.00 47.30 ? 703 EOH A O 1 HETATM 2810 O O . HOH W 10 . ? 22.503 -0.381 20.563 1.00 12.10 ? 14 HOH A O 1 HETATM 2811 O O . HOH W 10 . ? 13.252 5.215 16.485 1.00 10.06 ? 15 HOH A O 1 HETATM 2812 O O . HOH W 10 . ? 25.486 -8.870 19.268 1.00 14.28 ? 16 HOH A O 1 HETATM 2813 O O . HOH W 10 . ? -0.085 -10.832 19.580 1.00 19.01 ? 17 HOH A O 1 HETATM 2814 O O . HOH W 10 . ? 25.630 1.252 19.763 1.00 9.86 ? 18 HOH A O 1 HETATM 2815 O O . HOH W 10 . ? 27.452 -6.580 31.515 1.00 15.05 ? 19 HOH A O 1 HETATM 2816 O O . HOH W 10 . ? 23.465 -4.223 33.165 1.00 14.69 ? 20 HOH A O 1 HETATM 2817 O O . HOH W 10 . ? 18.941 -5.428 11.810 1.00 15.51 ? 21 HOH A O 1 HETATM 2818 O O . HOH W 10 . ? 21.071 1.630 15.059 1.00 13.53 ? 22 HOH A O 1 HETATM 2819 O O . HOH W 10 . ? 19.074 -1.290 14.166 1.00 12.68 ? 23 HOH A O 1 HETATM 2820 O O . HOH W 10 . ? 23.433 -8.167 30.534 1.00 14.17 ? 24 HOH A O 1 HETATM 2821 O O . HOH W 10 . ? 18.552 0.156 19.318 1.00 16.46 ? 25 HOH A O 1 HETATM 2822 O O . HOH W 10 . ? -5.082 -2.703 -2.075 1.00 24.10 ? 26 HOH A O 1 HETATM 2823 O O . HOH W 10 . ? -0.788 -15.828 -4.368 1.00 17.66 ? 27 HOH A O 1 HETATM 2824 O O . HOH W 10 . ? 12.548 4.935 5.653 1.00 20.29 ? 28 HOH A O 1 HETATM 2825 O O . HOH W 10 . ? 12.902 -12.685 25.404 1.00 21.31 ? 29 HOH A O 1 HETATM 2826 O O . HOH W 10 . ? 20.370 -12.057 13.904 1.00 17.95 ? 30 HOH A O 1 HETATM 2827 O O . HOH W 10 . ? 5.230 -12.863 -2.671 1.00 17.58 ? 31 HOH A O 1 HETATM 2828 O O . HOH W 10 . ? 16.775 12.544 30.014 1.00 14.30 ? 32 HOH A O 1 HETATM 2829 O O . HOH W 10 . ? -3.613 -2.483 4.627 1.00 16.54 ? 33 HOH A O 1 HETATM 2830 O O . HOH W 10 . ? 4.784 -14.598 4.631 1.00 16.61 ? 34 HOH A O 1 HETATM 2831 O O . HOH W 10 . ? 13.225 -0.362 26.786 1.00 17.03 ? 35 HOH A O 1 HETATM 2832 O O . HOH W 10 . ? 22.790 -1.399 17.938 1.00 15.83 ? 36 HOH A O 1 HETATM 2833 O O . HOH W 10 . ? 5.576 -11.693 26.819 1.00 20.73 ? 37 HOH A O 1 HETATM 2834 O O . HOH W 10 . ? 17.960 5.465 12.419 1.00 13.15 ? 38 HOH A O 1 HETATM 2835 O O . HOH W 10 . ? 22.293 -0.760 15.336 1.00 17.46 ? 39 HOH A O 1 HETATM 2836 O O . HOH W 10 . ? 20.104 -1.699 20.735 1.00 11.70 ? 40 HOH A O 1 HETATM 2837 O O . HOH W 10 . ? 20.419 5.414 9.501 1.00 16.42 ? 41 HOH A O 1 HETATM 2838 O O . HOH W 10 . ? -3.785 -14.761 1.837 1.00 27.62 ? 42 HOH A O 1 HETATM 2839 O O . HOH W 10 . ? 1.155 -16.782 25.111 1.00 26.45 ? 43 HOH A O 1 HETATM 2840 O O . HOH W 10 . ? 28.989 16.989 28.862 1.00 20.43 ? 44 HOH A O 1 HETATM 2841 O O . HOH W 10 . ? 31.515 15.507 28.769 1.00 26.03 ? 45 HOH A O 1 HETATM 2842 O O . HOH W 10 . ? 16.523 2.929 12.121 1.00 12.32 ? 46 HOH A O 1 HETATM 2843 O O . HOH W 10 . ? 14.387 -16.413 2.304 1.00 41.37 ? 47 HOH A O 1 HETATM 2844 O O . HOH W 10 . ? 31.843 3.203 8.255 1.00 17.35 ? 48 HOH A O 1 HETATM 2845 O O . HOH W 10 . ? 30.711 9.107 8.567 1.00 23.68 ? 49 HOH A O 1 HETATM 2846 O O . HOH W 10 . ? 19.846 20.001 26.647 1.00 16.67 ? 50 HOH A O 1 HETATM 2847 O O . HOH W 10 . ? 21.252 -5.049 15.054 1.00 15.91 ? 51 HOH A O 1 HETATM 2848 O O . HOH W 10 . ? 27.097 -0.636 11.236 1.00 16.15 ? 52 HOH A O 1 HETATM 2849 O O . HOH W 10 . ? 19.929 -3.381 18.645 1.00 18.86 ? 53 HOH A O 1 HETATM 2850 O O . HOH W 10 . ? 16.290 14.724 28.329 1.00 14.64 ? 54 HOH A O 1 HETATM 2851 O O . HOH W 10 . ? -0.624 -3.352 -4.407 1.00 26.79 ? 55 HOH A O 1 HETATM 2852 O O . HOH W 10 . ? 1.463 -13.268 19.301 1.00 17.01 ? 56 HOH A O 1 HETATM 2853 O O . HOH W 10 . ? 20.990 -21.078 -3.492 1.00 33.62 ? 57 HOH A O 1 HETATM 2854 O O . HOH W 10 . ? 39.210 13.194 23.495 1.00 40.42 ? 58 HOH A O 1 HETATM 2855 O O . HOH W 10 . ? 24.598 17.347 19.058 1.00 17.49 ? 59 HOH A O 1 HETATM 2856 O O . HOH W 10 . ? 40.626 15.351 23.708 1.00 41.05 ? 60 HOH A O 1 HETATM 2857 O O . HOH W 10 . ? 17.350 -2.193 7.918 1.00 14.92 ? 61 HOH A O 1 HETATM 2858 O O . HOH W 10 . ? 30.288 -3.487 34.667 1.00 18.31 ? 62 HOH A O 1 HETATM 2859 O O . HOH W 10 . ? 20.608 16.572 24.197 1.00 14.43 ? 63 HOH A O 1 HETATM 2860 O O . HOH W 10 . ? 3.173 0.224 5.903 1.00 13.49 ? 64 HOH A O 1 HETATM 2861 O O . HOH W 10 . ? 18.380 11.246 8.129 1.00 24.68 ? 65 HOH A O 1 HETATM 2862 O O . HOH W 10 . ? 19.068 -9.047 -1.943 1.00 22.08 ? 66 HOH A O 1 HETATM 2863 O O . HOH W 10 . ? 30.904 -8.679 14.741 1.00 22.36 ? 67 HOH A O 1 HETATM 2864 O O . HOH W 10 . ? 32.682 14.031 12.320 1.00 20.80 ? 68 HOH A O 1 HETATM 2865 O O . HOH W 10 . ? 27.723 6.859 32.348 1.00 19.84 ? 69 HOH A O 1 HETATM 2866 O O . HOH W 10 . ? -1.140 -17.308 9.284 1.00 33.67 ? 70 HOH A O 1 HETATM 2867 O O . HOH W 10 . ? -6.209 1.952 10.399 1.00 29.07 ? 71 HOH A O 1 HETATM 2868 O O . HOH W 10 . ? 32.326 3.918 32.407 1.00 16.88 ? 72 HOH A O 1 HETATM 2869 O O . HOH W 10 . ? 3.429 3.710 20.786 1.00 26.40 ? 73 HOH A O 1 HETATM 2870 O O . HOH W 10 . ? 17.785 -5.195 23.114 1.00 15.49 ? 74 HOH A O 1 HETATM 2871 O O . HOH W 10 . ? 32.353 2.992 36.700 1.00 21.85 ? 75 HOH A O 1 HETATM 2872 O O . HOH W 10 . ? 13.076 -21.133 7.686 1.00 32.10 ? 76 HOH A O 1 HETATM 2873 O O . HOH W 10 . ? 8.159 -20.940 6.735 1.00 32.48 ? 77 HOH A O 1 HETATM 2874 O O . HOH W 10 . ? 24.218 -10.698 30.484 1.00 20.45 ? 78 HOH A O 1 HETATM 2875 O O . HOH W 10 . ? 2.815 -20.490 23.904 1.00 35.77 ? 79 HOH A O 1 HETATM 2876 O O . HOH W 10 . ? 19.698 -4.285 35.090 1.00 25.53 ? 80 HOH A O 1 HETATM 2877 O O . HOH W 10 . ? 0.214 6.917 8.153 1.00 28.07 ? 81 HOH A O 1 HETATM 2878 O O . HOH W 10 . ? 21.062 -1.095 -0.067 1.00 32.92 ? 82 HOH A O 1 HETATM 2879 O O . HOH W 10 . ? 38.751 10.159 19.382 1.00 24.88 ? 83 HOH A O 1 HETATM 2880 O O . HOH W 10 . ? 17.745 6.147 9.547 1.00 20.36 ? 84 HOH A O 1 HETATM 2881 O O . HOH W 10 . ? 23.639 -17.933 25.573 1.00 33.69 ? 85 HOH A O 1 HETATM 2882 O O . HOH W 10 . ? 31.788 18.174 19.783 1.00 35.56 ? 86 HOH A O 1 HETATM 2883 O O . HOH W 10 . ? 12.455 -3.849 27.422 1.00 26.19 ? 87 HOH A O 1 HETATM 2884 O O . HOH W 10 . ? 4.042 11.620 8.150 1.00 28.62 ? 88 HOH A O 1 HETATM 2885 O O . HOH W 10 . ? 4.273 9.945 11.836 1.00 22.71 ? 89 HOH A O 1 HETATM 2886 O O . HOH W 10 . ? 14.939 -21.776 12.005 1.00 37.15 ? 90 HOH A O 1 HETATM 2887 O O . HOH W 10 . ? 4.725 -20.399 2.570 1.00 35.47 ? 91 HOH A O 1 HETATM 2888 O O . HOH W 10 . ? 9.875 1.799 24.187 1.00 16.28 ? 92 HOH A O 1 HETATM 2889 O O . HOH W 10 . ? 6.593 -0.188 24.595 1.00 20.94 ? 93 HOH A O 1 HETATM 2890 O O . HOH W 10 . ? 2.900 5.243 30.660 1.00 38.11 ? 94 HOH A O 1 HETATM 2891 O O . HOH W 10 . ? -7.482 -7.447 12.172 1.00 30.29 ? 95 HOH A O 1 HETATM 2892 O O . HOH W 10 . ? -6.355 -4.845 12.308 1.00 29.46 ? 96 HOH A O 1 HETATM 2893 O O . HOH W 10 . ? 16.813 -15.447 -1.062 1.00 38.05 ? 97 HOH A O 1 HETATM 2894 O O . HOH W 10 . ? 21.496 -11.158 6.920 1.00 32.11 ? 98 HOH A O 1 HETATM 2895 O O . HOH W 10 . ? 17.696 -10.492 -5.318 1.00 35.68 ? 99 HOH A O 1 HETATM 2896 O O . HOH W 10 . ? 19.374 -3.290 6.441 1.00 34.86 ? 100 HOH A O 1 HETATM 2897 O O . HOH W 10 . ? 15.865 -24.934 18.773 1.00 51.48 ? 101 HOH A O 1 HETATM 2898 O O . HOH W 10 . ? 23.097 -13.122 25.364 1.00 40.68 ? 102 HOH A O 1 HETATM 2899 O O . HOH W 10 . ? 46.638 12.291 15.743 1.00 60.55 ? 103 HOH A O 1 HETATM 2900 O O . HOH W 10 . ? 25.700 17.795 28.228 1.00 21.49 ? 104 HOH A O 1 HETATM 2901 O O . HOH W 10 . ? 10.613 -11.524 28.690 1.00 26.99 ? 105 HOH A O 1 HETATM 2902 O O . HOH W 10 . ? 7.036 6.537 -1.712 1.00 22.02 ? 106 HOH A O 1 HETATM 2903 O O . HOH W 10 . ? 16.362 -4.449 25.846 1.00 20.29 ? 107 HOH A O 1 HETATM 2904 O O . HOH W 10 . ? 32.143 -11.305 21.535 1.00 25.55 ? 108 HOH A O 1 HETATM 2905 O O . HOH W 10 . ? 22.535 20.956 19.979 1.00 29.57 ? 109 HOH A O 1 HETATM 2906 O O . HOH W 10 . ? 20.681 -7.157 13.423 1.00 32.12 ? 110 HOH A O 1 HETATM 2907 O O . HOH W 10 . ? -8.341 -7.926 4.608 1.00 34.47 ? 111 HOH A O 1 HETATM 2908 O O . HOH W 10 . ? -1.746 2.341 22.335 1.00 21.25 ? 112 HOH A O 1 HETATM 2909 O O . HOH W 10 . ? 23.413 -11.036 12.867 1.00 42.56 ? 113 HOH A O 1 HETATM 2910 O O . HOH W 10 . ? 9.892 -14.117 -1.505 1.00 30.89 ? 114 HOH A O 1 HETATM 2911 O O . HOH W 10 . ? 19.449 -7.375 33.921 1.00 25.76 ? 115 HOH A O 1 HETATM 2912 O O . HOH W 10 . ? 31.295 -5.510 30.064 1.00 24.65 ? 116 HOH A O 1 HETATM 2913 O O . HOH W 10 . ? 5.162 -16.614 0.172 1.00 30.32 ? 117 HOH A O 1 HETATM 2914 O O . HOH W 10 . ? 18.564 -3.953 14.237 1.00 17.62 ? 118 HOH A O 1 HETATM 2915 O O . HOH W 10 . ? -1.820 -17.838 11.842 1.00 31.90 ? 119 HOH A O 1 HETATM 2916 O O . HOH W 10 . ? 40.150 -2.319 26.146 1.00 45.18 ? 120 HOH A O 1 HETATM 2917 O O . HOH W 10 . ? 10.917 12.062 31.801 1.00 28.60 ? 121 HOH A O 1 HETATM 2918 O O . HOH W 10 . ? 4.869 -2.304 25.185 1.00 20.34 ? 122 HOH A O 1 HETATM 2919 O O . HOH W 10 . ? 36.447 -10.824 19.772 1.00 63.22 ? 123 HOH A O 1 HETATM 2920 O O . HOH W 10 . ? 17.037 23.302 16.435 1.00 49.90 ? 124 HOH A O 1 HETATM 2921 O O . HOH W 10 . ? -4.747 0.181 -4.086 1.00 68.21 ? 125 HOH A O 1 HETATM 2922 O O . HOH W 10 . ? -8.498 0.763 7.657 1.00 31.70 ? 126 HOH A O 1 HETATM 2923 O O . HOH W 10 . ? -5.497 4.252 15.040 1.00 36.07 ? 127 HOH A O 1 HETATM 2924 O O . HOH W 10 . ? 17.918 11.302 5.534 1.00 32.64 ? 128 HOH A O 1 HETATM 2925 O O . HOH W 10 . ? 46.393 6.714 8.601 1.00 38.45 ? 129 HOH A O 1 HETATM 2926 O O . HOH W 10 . ? 39.760 -8.378 14.637 1.00 36.69 ? 130 HOH A O 1 HETATM 2927 O O . HOH W 10 . ? 17.026 4.136 7.928 1.00 16.12 ? 131 HOH A O 1 HETATM 2928 O O . HOH W 10 . ? 37.493 12.392 4.966 1.00 41.83 ? 132 HOH A O 1 HETATM 2929 O O . HOH W 10 . ? 15.428 -12.387 -7.936 1.00 44.26 ? 133 HOH A O 1 HETATM 2930 O O . HOH W 10 . ? -7.097 6.125 19.819 1.00 43.19 ? 134 HOH A O 1 HETATM 2931 O O . HOH W 10 . ? 3.831 -2.434 34.972 1.00 54.00 ? 135 HOH A O 1 HETATM 2932 O O . HOH W 10 . ? -7.019 -3.585 0.159 1.00 35.55 ? 136 HOH A O 1 HETATM 2933 O O . HOH W 10 . ? -10.659 -7.286 6.469 1.00 37.63 ? 137 HOH A O 1 HETATM 2934 O O . HOH W 10 . ? 29.090 20.688 19.926 1.00 75.36 ? 138 HOH A O 1 HETATM 2935 O O . HOH W 10 . ? -4.329 -4.684 -3.732 1.00 31.14 ? 139 HOH A O 1 HETATM 2936 O O . HOH W 10 . ? 23.684 -13.835 14.759 1.00 31.45 ? 140 HOH A O 1 HETATM 2937 O O . HOH W 10 . ? 28.893 22.688 18.220 1.00 57.55 ? 141 HOH A O 1 HETATM 2938 O O . HOH W 10 . ? 15.161 -9.028 -8.497 1.00 61.18 ? 142 HOH A O 1 HETATM 2939 O O . HOH W 10 . ? 3.446 -18.814 6.396 1.00 40.90 ? 143 HOH A O 1 HETATM 2940 O O . HOH W 10 . ? 5.087 -22.594 25.724 1.00 60.70 ? 144 HOH A O 1 HETATM 2941 O O . HOH W 10 . ? 43.367 2.736 12.925 1.00 50.46 ? 145 HOH A O 1 HETATM 2942 O O . HOH W 10 . ? 27.862 -10.136 24.756 1.00 32.59 ? 146 HOH A O 1 HETATM 2943 O O . HOH W 10 . ? -8.909 -8.360 2.001 1.00 34.84 ? 147 HOH A O 1 HETATM 2944 O O . HOH W 10 . ? 11.331 -12.769 -3.609 1.00 28.13 ? 148 HOH A O 1 HETATM 2945 O O . HOH W 10 . ? 23.855 12.048 1.423 1.00 52.96 ? 149 HOH A O 1 HETATM 2946 O O . HOH W 10 . ? 26.260 -19.951 -0.505 1.00 62.73 ? 150 HOH A O 1 HETATM 2947 O O . HOH W 10 . ? 40.112 -0.877 1.262 1.00 84.14 ? 151 HOH A O 1 HETATM 2948 O O . HOH W 10 . ? -0.930 -10.212 -6.145 1.00 34.28 ? 152 HOH A O 1 HETATM 2949 O O . HOH W 10 . ? 36.217 15.598 14.688 1.00 48.92 ? 153 HOH A O 1 HETATM 2950 O O . HOH W 10 . ? 43.728 3.833 5.791 1.00 48.41 ? 154 HOH A O 1 HETATM 2951 O O . HOH W 10 . ? -8.875 3.225 22.090 1.00 52.52 ? 155 HOH A O 1 HETATM 2952 O O . HOH W 10 . ? 18.016 16.767 28.033 1.00 15.67 ? 156 HOH A O 1 HETATM 2953 O O . HOH W 10 . ? 9.093 -18.550 30.420 1.00 16.05 ? 157 HOH A O 1 HETATM 2954 O O . HOH W 10 . ? 13.991 -5.619 26.021 1.00 20.91 ? 158 HOH A O 1 HETATM 2955 O O . HOH W 10 . ? 24.830 -6.402 32.178 1.00 14.39 ? 159 HOH A O 1 HETATM 2956 O O . HOH W 10 . ? 29.809 -5.226 32.329 1.00 17.88 ? 160 HOH A O 1 HETATM 2957 O O . HOH W 10 . ? 21.724 -7.545 35.453 1.00 16.73 ? 161 HOH A O 1 HETATM 2958 O O . HOH W 10 . ? -7.267 -6.383 -0.749 1.00 41.88 ? 162 HOH A O 1 HETATM 2959 O O . HOH W 10 . ? 10.849 -19.254 22.538 1.00 31.36 ? 163 HOH A O 1 HETATM 2960 O O . HOH W 10 . ? 38.913 15.211 14.837 1.00 31.13 ? 164 HOH A O 1 HETATM 2961 O O . HOH W 10 . ? 1.757 -16.158 -5.860 1.00 34.60 ? 165 HOH A O 1 HETATM 2962 O O . HOH W 10 . ? 36.979 -8.316 17.765 1.00 25.00 ? 166 HOH A O 1 HETATM 2963 O O . HOH W 10 . ? 39.652 10.772 22.155 1.00 26.09 ? 167 HOH A O 1 HETATM 2964 O O . HOH W 10 . ? 8.174 8.792 -2.423 1.00 33.93 ? 168 HOH A O 1 HETATM 2965 O O . HOH W 10 . ? 30.795 -6.533 12.511 1.00 26.91 ? 169 HOH A O 1 HETATM 2966 O O . HOH W 10 . ? 36.253 1.127 31.610 1.00 31.46 ? 170 HOH A O 1 HETATM 2967 O O . HOH W 10 . ? -7.137 2.685 -3.825 1.00 41.71 ? 171 HOH A O 1 HETATM 2968 O O . HOH W 10 . ? 4.225 7.538 -2.265 1.00 28.49 ? 172 HOH A O 1 HETATM 2969 O O . HOH W 10 . ? 20.911 -9.322 4.622 1.00 26.28 ? 173 HOH A O 1 HETATM 2970 O O . HOH W 10 . ? -0.160 -19.400 13.720 1.00 34.25 ? 174 HOH A O 1 HETATM 2971 O O . HOH W 10 . ? 33.716 1.164 35.456 1.00 29.23 ? 175 HOH A O 1 HETATM 2972 O O . HOH W 10 . ? 35.731 15.914 17.370 1.00 26.07 ? 176 HOH A O 1 HETATM 2973 O O . HOH W 10 . ? -8.221 -13.023 7.571 1.00 35.93 ? 177 HOH A O 1 HETATM 2974 O O . HOH W 10 . ? -8.953 -15.534 17.945 1.00 40.52 ? 178 HOH A O 1 HETATM 2975 O O . HOH W 10 . ? -9.031 5.021 6.586 1.00 42.37 ? 179 HOH A O 1 HETATM 2976 O O . HOH W 10 . ? 3.652 -20.995 21.727 1.00 43.93 ? 180 HOH A O 1 HETATM 2977 O O . HOH W 10 . ? 4.008 -21.466 12.725 1.00 33.79 ? 181 HOH A O 1 HETATM 2978 O O . HOH W 10 . ? -7.902 -3.736 27.717 1.00 36.25 ? 182 HOH A O 1 HETATM 2979 O O . HOH W 10 . ? 33.182 13.360 9.743 1.00 28.33 ? 183 HOH A O 1 HETATM 2980 O O . HOH W 10 . ? -5.176 -5.664 21.228 1.00 32.48 ? 184 HOH A O 1 HETATM 2981 O O . HOH W 10 . ? -5.558 -16.462 10.711 1.00 45.07 ? 185 HOH A O 1 HETATM 2982 O O . HOH W 10 . ? 15.376 9.661 36.052 1.00 53.22 ? 186 HOH A O 1 HETATM 2983 O O . HOH W 10 . ? 19.742 -9.430 13.696 1.00 28.48 ? 187 HOH A O 1 HETATM 2984 O O . HOH W 10 . ? 5.964 -10.914 29.411 1.00 50.88 ? 188 HOH A O 1 HETATM 2985 O O . HOH W 10 . ? -10.026 -9.661 11.662 1.00 47.36 ? 189 HOH A O 1 HETATM 2986 O O . HOH W 10 . ? -10.996 -2.311 4.638 1.00 57.20 ? 190 HOH A O 1 HETATM 2987 O O . HOH W 10 . ? 13.366 -5.212 -10.904 1.00 45.49 ? 191 HOH A O 1 HETATM 2988 O O . HOH W 10 . ? 34.000 10.657 6.363 1.00 42.82 ? 192 HOH A O 1 HETATM 2989 O O . HOH W 10 . ? 13.786 12.065 32.780 1.00 30.00 ? 193 HOH A O 1 HETATM 2990 O O . HOH W 10 . ? 1.365 -1.316 35.286 1.00 73.29 ? 194 HOH A O 1 HETATM 2991 O O . HOH W 10 . ? 23.936 12.802 34.530 1.00 26.29 ? 195 HOH A O 1 HETATM 2992 O O . HOH W 10 . ? 6.538 -22.650 17.523 1.00 46.73 ? 196 HOH A O 1 HETATM 2993 O O . HOH W 10 . ? 22.590 6.073 3.838 1.00 26.32 ? 197 HOH A O 1 HETATM 2994 O O . HOH W 10 . ? 23.627 18.963 20.909 1.00 24.31 ? 198 HOH A O 1 HETATM 2995 O O . HOH W 10 . ? 11.775 -22.341 9.639 1.00 42.71 ? 199 HOH A O 1 HETATM 2996 O O . HOH W 10 . ? 31.893 17.067 31.882 1.00 36.68 ? 200 HOH A O 1 HETATM 2997 O O . HOH W 10 . ? 33.027 -5.340 12.009 1.00 40.31 ? 201 HOH A O 1 HETATM 2998 O O . HOH W 10 . ? -8.201 -11.704 10.919 1.00 30.16 ? 202 HOH A O 1 HETATM 2999 O O . HOH W 10 . ? 30.055 22.830 20.937 1.00 56.99 ? 203 HOH A O 1 HETATM 3000 O O . HOH W 10 . ? 18.074 -3.828 32.555 1.00 27.16 ? 204 HOH A O 1 HETATM 3001 O O . HOH W 10 . ? 10.960 4.286 -2.898 1.00 44.07 ? 205 HOH A O 1 HETATM 3002 O O . HOH W 10 . ? 44.992 -3.119 23.871 1.00 54.05 ? 206 HOH A O 1 HETATM 3003 O O . HOH W 10 . ? 22.293 12.234 -0.720 1.00 57.00 ? 207 HOH A O 1 HETATM 3004 O O . HOH W 10 . ? 46.264 5.946 21.298 1.00 54.89 ? 208 HOH A O 1 HETATM 3005 O O . HOH W 10 . ? 28.189 6.509 -1.682 1.00 57.31 ? 209 HOH A O 1 HETATM 3006 O O . HOH W 10 . ? 6.613 -15.107 -1.812 1.00 39.79 ? 210 HOH A O 1 HETATM 3007 O O . HOH W 10 . ? 20.465 -17.888 14.113 1.00 40.76 ? 211 HOH A O 1 HETATM 3008 O O . HOH W 10 . ? 14.661 -5.207 30.537 1.00 31.39 ? 212 HOH A O 1 HETATM 3009 O O . HOH W 10 . ? 8.415 17.605 23.015 1.00 54.34 ? 213 HOH A O 1 HETATM 3010 O O . HOH W 10 . ? 17.452 12.505 14.251 1.00 35.88 ? 214 HOH A O 1 HETATM 3011 O O . HOH W 10 . ? 26.302 -9.823 28.528 1.00 31.77 ? 215 HOH A O 1 HETATM 3012 O O . HOH W 10 . ? 32.134 -10.509 27.595 1.00 38.23 ? 216 HOH A O 1 HETATM 3013 O O . HOH W 10 . ? -7.944 4.360 15.379 1.00 57.37 ? 217 HOH A O 1 HETATM 3014 O O . HOH W 10 . ? 37.413 -2.885 25.356 1.00 28.19 ? 218 HOH A O 1 HETATM 3015 O O . HOH W 10 . ? 23.147 -19.709 4.703 1.00 61.45 ? 219 HOH A O 1 HETATM 3016 O O . HOH W 10 . ? 14.070 21.034 20.257 1.00 27.76 ? 220 HOH A O 1 HETATM 3017 O O . HOH W 10 . ? 12.567 3.984 31.932 1.00 31.48 ? 221 HOH A O 1 HETATM 3018 O O . HOH W 10 . ? 2.151 9.236 13.236 1.00 41.90 ? 222 HOH A O 1 HETATM 3019 O O . HOH W 10 . ? 2.606 -18.960 27.657 1.00 39.85 ? 223 HOH A O 1 HETATM 3020 O O . HOH W 10 . ? 2.702 -1.926 26.780 1.00 25.76 ? 224 HOH A O 1 HETATM 3021 O O . HOH W 10 . ? 22.260 -16.394 9.027 1.00 50.47 ? 225 HOH A O 1 HETATM 3022 O O . HOH W 10 . ? 6.356 -11.174 -8.587 1.00 54.83 ? 226 HOH A O 1 HETATM 3023 O O . HOH W 10 . ? 30.464 3.480 5.965 1.00 26.54 ? 227 HOH A O 1 HETATM 3024 O O . HOH W 10 . ? 5.743 0.754 -8.166 1.00 34.96 ? 228 HOH A O 1 HETATM 3025 O O . HOH W 10 . ? -5.810 -8.869 21.121 1.00 48.33 ? 229 HOH A O 1 HETATM 3026 O O . HOH W 10 . ? 4.852 -12.872 -5.350 1.00 30.00 ? 230 HOH A O 1 HETATM 3027 O O . HOH W 10 . ? 12.447 -1.426 30.399 1.00 33.85 ? 231 HOH A O 1 HETATM 3028 O O . HOH W 10 . ? 12.828 -15.057 -4.498 1.00 34.89 ? 232 HOH A O 1 HETATM 3029 O O . HOH W 10 . ? 19.356 -19.113 4.419 1.00 35.91 ? 233 HOH A O 1 HETATM 3030 O O . HOH W 10 . ? -14.589 -1.109 16.802 1.00 44.88 ? 234 HOH A O 1 HETATM 3031 O O . HOH W 10 . ? 10.703 -2.276 -7.062 1.00 51.78 ? 235 HOH A O 1 HETATM 3032 O O . HOH W 10 . ? 33.821 1.673 32.739 1.00 20.52 ? 236 HOH A O 1 HETATM 3033 O O . HOH W 10 . ? 24.038 -17.060 21.620 1.00 32.98 ? 237 HOH A O 1 HETATM 3034 O O . HOH W 10 . ? 22.032 12.866 32.493 1.00 23.88 ? 238 HOH A O 1 HETATM 3035 O O . HOH W 10 . ? 11.261 18.945 26.512 1.00 19.70 ? 239 HOH A O 1 HETATM 3036 O O . HOH W 10 . ? 8.122 -2.841 -6.342 1.00 33.79 ? 240 HOH A O 1 HETATM 3037 O O . HOH W 10 . ? 22.498 18.324 23.437 1.00 24.11 ? 241 HOH A O 1 HETATM 3038 O O . HOH W 10 . ? 7.267 -19.464 22.497 1.00 16.14 ? 242 HOH A O 1 HETATM 3039 O O . HOH W 10 . ? 10.642 -20.176 13.698 1.00 24.14 ? 243 HOH A O 1 HETATM 3040 O O . HOH W 10 . ? 39.697 7.136 30.938 1.00 27.22 ? 244 HOH A O 1 HETATM 3041 O O . HOH W 10 . ? 31.651 -7.021 33.212 1.00 27.17 ? 245 HOH A O 1 HETATM 3042 O O . HOH W 10 . ? 8.288 -25.407 18.031 1.00 61.96 ? 246 HOH A O 1 HETATM 3043 O O . HOH W 10 . ? -3.843 2.000 -2.732 1.00 100.26 ? 247 HOH A O 1 HETATM 3044 O O . HOH W 10 . ? 32.551 -11.653 12.439 1.00 61.64 ? 248 HOH A O 1 HETATM 3045 O O . HOH W 10 . ? 35.492 14.111 8.538 1.00 38.70 ? 249 HOH A O 1 HETATM 3046 O O . HOH W 10 . ? -3.601 4.813 4.835 1.00 37.48 ? 250 HOH A O 1 HETATM 3047 O O . HOH W 10 . ? 28.006 -9.131 32.383 1.00 16.11 ? 251 HOH A O 1 HETATM 3048 O O . HOH W 10 . ? 8.474 -11.413 30.122 1.00 27.23 ? 252 HOH A O 1 HETATM 3049 O O . HOH W 10 . ? 32.732 -1.492 36.110 1.00 35.13 ? 253 HOH A O 1 HETATM 3050 O O . HOH W 10 . ? 27.455 3.318 6.135 1.00 31.33 ? 254 HOH A O 1 HETATM 3051 O O . HOH W 10 . ? 39.186 -4.343 12.305 1.00 46.57 ? 255 HOH A O 1 HETATM 3052 O O . HOH W 10 . ? -12.834 0.390 18.696 1.00 44.44 ? 256 HOH A O 1 HETATM 3053 O O . HOH W 10 . ? 12.121 -21.283 24.026 1.00 28.34 ? 257 HOH A O 1 HETATM 3054 O O . HOH W 10 . ? 31.703 18.400 22.432 1.00 30.05 ? 258 HOH A O 1 HETATM 3055 O O . HOH W 10 . ? 25.337 -8.173 1.405 1.00 46.16 ? 259 HOH A O 1 HETATM 3056 O O . HOH W 10 . ? 4.926 16.042 18.183 1.00 47.66 ? 260 HOH A O 1 HETATM 3057 O O . HOH W 10 . ? -0.554 7.651 -2.938 1.00 45.87 ? 261 HOH A O 1 HETATM 3058 O O . HOH W 10 . ? -9.467 3.628 13.022 1.00 40.79 ? 262 HOH A O 1 HETATM 3059 O O . HOH W 10 . ? 11.801 -16.578 -6.375 1.00 49.72 ? 263 HOH A O 1 HETATM 3060 O O . HOH W 10 . ? 13.724 14.735 32.228 1.00 28.54 ? 264 HOH A O 1 HETATM 3061 O O . HOH W 10 . ? 0.235 -6.058 -8.010 1.00 40.95 ? 265 HOH A O 1 HETATM 3062 O O . HOH W 10 . ? 9.087 18.758 25.169 1.00 33.01 ? 266 HOH A O 1 HETATM 3063 O O . HOH W 10 . ? -2.269 7.149 7.679 1.00 51.71 ? 267 HOH A O 1 HETATM 3064 O O . HOH W 10 . ? 17.580 -0.006 -5.851 1.00 41.11 ? 268 HOH A O 1 HETATM 3065 O O . HOH W 10 . ? 40.022 12.919 19.514 1.00 44.56 ? 269 HOH A O 1 HETATM 3066 O O . HOH W 10 . ? 30.118 -11.406 25.053 1.00 37.96 ? 270 HOH A O 1 HETATM 3067 O O . HOH W 10 . ? 26.243 3.689 3.816 1.00 57.04 ? 271 HOH A O 1 HETATM 3068 O O . HOH W 10 . ? -3.292 20.631 27.086 1.00 69.17 ? 272 HOH A O 1 HETATM 3069 O O . HOH W 10 . ? 20.013 -10.405 10.561 1.00 32.65 ? 273 HOH A O 1 HETATM 3070 O O . HOH W 10 . ? 44.626 4.923 13.545 1.00 72.76 ? 274 HOH A O 1 HETATM 3071 O O . HOH W 10 . ? 23.968 -13.441 10.954 1.00 48.87 ? 275 HOH A O 1 HETATM 3072 O O . HOH W 10 . ? -8.567 0.565 10.429 1.00 45.93 ? 276 HOH A O 1 HETATM 3073 O O . HOH W 10 . ? 9.822 -4.576 -10.379 1.00 113.22 ? 277 HOH A O 1 HETATM 3074 O O . HOH W 10 . ? 44.081 -2.643 21.132 1.00 64.59 ? 278 HOH A O 1 HETATM 3075 O O . HOH W 10 . ? 40.812 -6.746 16.283 1.00 53.41 ? 279 HOH A O 1 HETATM 3076 O O . HOH W 10 . ? 39.506 -1.311 29.202 1.00 52.97 ? 280 HOH A O 1 HETATM 3077 O O . HOH W 10 . ? 24.778 10.991 -1.164 1.00 65.56 ? 281 HOH A O 1 HETATM 3078 O O . HOH W 10 . ? 5.365 -23.751 19.519 1.00 66.37 ? 282 HOH A O 1 HETATM 3079 O O . HOH W 10 . ? 40.194 17.331 16.426 1.00 51.14 ? 283 HOH A O 1 HETATM 3080 O O . HOH W 10 . ? 13.270 -1.499 -7.541 1.00 41.19 ? 284 HOH A O 1 HETATM 3081 O O . HOH W 10 . ? 26.120 20.033 21.595 1.00 44.03 ? 285 HOH A O 1 HETATM 3082 O O . HOH W 10 . ? 29.458 19.670 23.254 1.00 50.48 ? 286 HOH A O 1 HETATM 3083 O O . HOH W 10 . ? 22.056 -19.885 12.616 1.00 61.14 ? 287 HOH A O 1 HETATM 3084 O O . HOH W 10 . ? 12.966 -25.031 10.074 1.00 45.02 ? 288 HOH A O 1 HETATM 3085 O O . HOH W 10 . ? 28.433 -14.657 18.337 1.00 52.88 ? 289 HOH A O 1 HETATM 3086 O O . HOH W 10 . ? 2.602 -16.199 0.969 1.00 39.93 ? 290 HOH A O 1 HETATM 3087 O O . HOH W 10 . ? -1.650 -20.985 16.060 1.00 43.25 ? 291 HOH A O 1 HETATM 3088 O O . HOH W 10 . ? 31.541 18.763 29.626 1.00 63.90 ? 292 HOH A O 1 HETATM 3089 O O . HOH W 10 . ? 22.401 1.032 -4.324 1.00 52.49 ? 293 HOH A O 1 HETATM 3090 O O . HOH W 10 . ? -8.114 6.319 2.402 1.00 37.21 ? 294 HOH A O 1 HETATM 3091 O O . HOH W 10 . ? 24.476 -2.736 -1.075 1.00 49.45 ? 295 HOH A O 1 HETATM 3092 O O . HOH W 10 . ? -7.200 -11.044 26.876 1.00 61.90 ? 296 HOH A O 1 HETATM 3093 O O . HOH W 10 . ? -5.258 6.355 6.475 1.00 40.21 ? 297 HOH A O 1 HETATM 3094 O O . HOH W 10 . ? -4.207 7.607 9.192 1.00 58.26 ? 298 HOH A O 1 HETATM 3095 O O . HOH W 10 . ? 9.058 -17.984 0.057 1.00 39.69 ? 299 HOH A O 1 HETATM 3096 O O . HOH W 10 . ? 39.868 -4.570 21.513 1.00 40.03 ? 300 HOH A O 1 HETATM 3097 O O . HOH W 10 . ? 16.605 -23.101 9.652 1.00 55.38 ? 301 HOH A O 1 HETATM 3098 O O . HOH W 10 . ? -6.999 14.162 21.984 1.00 53.83 ? 302 HOH A O 1 HETATM 3099 O O . HOH W 10 . ? 23.607 14.788 -10.523 1.00 62.36 ? 303 HOH A O 1 HETATM 3100 O O . HOH W 10 . ? 3.356 3.556 33.078 1.00 51.97 ? 304 HOH A O 1 HETATM 3101 O O . HOH W 10 . ? 6.737 -3.891 -4.259 1.00 22.32 ? 305 HOH A O 1 HETATM 3102 O O . HOH W 10 . ? 18.560 -6.859 35.887 1.00 72.65 ? 306 HOH A O 1 HETATM 3103 O O . HOH W 10 . ? 19.618 -1.133 16.846 1.00 22.61 ? 307 HOH A O 1 HETATM 3104 O O . HOH W 10 . ? 43.459 10.008 15.403 1.00 31.59 ? 308 HOH A O 1 HETATM 3105 O O . HOH W 10 . ? -0.140 4.369 21.555 1.00 21.41 ? 309 HOH A O 1 HETATM 3106 O O . HOH W 10 . ? 6.277 14.736 16.319 1.00 37.20 ? 310 HOH A O 1 HETATM 3107 O O . HOH W 10 . ? 9.243 3.384 -0.764 1.00 26.89 ? 311 HOH A O 1 HETATM 3108 O O . HOH W 10 . ? 16.669 -6.756 29.647 1.00 20.05 ? 312 HOH A O 1 HETATM 3109 O O . HOH W 10 . ? 8.785 10.801 -0.979 1.00 40.96 ? 313 HOH A O 1 HETATM 3110 O O . HOH W 10 . ? 38.714 15.775 17.490 1.00 66.21 ? 314 HOH A O 1 HETATM 3111 O O . HOH W 10 . ? 3.623 -16.764 28.998 1.00 25.28 ? 315 HOH A O 1 HETATM 3112 O O . HOH W 10 . ? -10.583 -11.856 7.742 1.00 37.00 ? 316 HOH A O 1 HETATM 3113 O O . HOH W 10 . ? 8.449 -22.257 19.131 1.00 73.40 ? 317 HOH A O 1 HETATM 3114 O O . HOH W 10 . ? 1.614 6.368 15.013 1.00 54.56 ? 318 HOH A O 1 HETATM 3115 O O . HOH W 10 . ? 11.849 1.273 -7.847 1.00 44.36 ? 319 HOH A O 1 HETATM 3116 O O . HOH W 10 . ? 2.763 -16.400 5.347 1.00 28.98 ? 320 HOH A O 1 HETATM 3117 O O . HOH W 10 . ? 2.464 -20.998 19.446 1.00 43.57 ? 321 HOH A O 1 HETATM 3118 O O . HOH W 10 . ? -4.299 -16.291 25.422 1.00 82.48 ? 322 HOH A O 1 HETATM 3119 O O . HOH W 10 . ? 13.303 -16.424 -2.088 1.00 45.84 ? 323 HOH A O 1 HETATM 3120 O O . HOH W 10 . ? 34.450 -4.867 33.261 1.00 38.93 ? 324 HOH A O 1 HETATM 3121 O O . HOH W 10 . ? -4.837 -19.479 15.431 1.00 46.18 ? 325 HOH A O 1 HETATM 3122 O O . HOH W 10 . ? 20.215 16.530 13.451 1.00 49.52 ? 326 HOH A O 1 HETATM 3123 O O . HOH W 10 . ? 11.440 21.290 19.664 1.00 41.98 ? 327 HOH A O 1 HETATM 3124 O O . HOH W 10 . ? -3.811 -13.548 4.906 1.00 43.36 ? 328 HOH A O 1 HETATM 3125 O O . HOH W 10 . ? 7.531 21.494 26.251 1.00 83.79 ? 329 HOH A O 1 HETATM 3126 O O . HOH W 10 . ? 24.316 13.866 -2.817 1.00 73.86 ? 330 HOH A O 1 HETATM 3127 O O . HOH W 10 . ? 27.538 -7.881 3.037 1.00 51.68 ? 331 HOH A O 1 HETATM 3128 O O . HOH W 10 . ? 2.554 -13.502 -6.456 1.00 30.31 ? 332 HOH A O 1 HETATM 3129 O O . HOH W 10 . ? 18.846 -2.377 -6.046 1.00 53.13 ? 333 HOH A O 1 HETATM 3130 O O . HOH W 10 . ? 26.939 18.799 26.093 1.00 40.12 ? 334 HOH A O 1 HETATM 3131 O O . HOH W 10 . ? -4.289 4.249 -0.011 1.00 58.02 ? 335 HOH A O 1 HETATM 3132 O O . HOH W 10 . ? 3.507 -22.465 7.913 1.00 41.05 ? 336 HOH A O 1 HETATM 3133 O O . HOH W 10 . ? 23.163 1.028 -7.028 1.00 62.09 ? 337 HOH A O 1 HETATM 3134 O O . HOH W 10 . ? 2.000 4.187 36.168 1.00 47.98 ? 338 HOH A O 1 HETATM 3135 O O . HOH W 10 . ? 32.929 -1.026 32.269 1.00 32.44 ? 339 HOH A O 1 HETATM 3136 O O . HOH W 10 . ? 9.858 -0.827 28.706 1.00 40.07 ? 340 HOH A O 1 HETATM 3137 O O . HOH W 10 . ? 45.257 3.800 16.426 1.00 62.02 ? 341 HOH A O 1 HETATM 3138 O O . HOH W 10 . ? 11.114 -11.010 14.166 1.00 11.92 ? 692 HOH A O 1 HETATM 3139 O O . HOH W 10 . ? 0.999 6.513 5.243 1.00 19.87 ? 693 HOH A O 1 HETATM 3140 O O . HOH W 10 . ? 2.973 -12.491 4.028 1.00 13.20 ? 694 HOH A O 1 HETATM 3141 O O . HOH W 10 . ? 20.998 -0.366 7.515 1.00 15.32 ? 695 HOH A O 1 HETATM 3142 O O . HOH W 10 . ? -0.515 3.958 5.878 1.00 19.41 ? 696 HOH A O 1 HETATM 3143 O O . HOH W 10 . ? 22.069 -4.983 17.617 1.00 14.23 ? 697 HOH A O 1 HETATM 3144 O O . HOH W 10 . ? 27.357 8.547 30.074 1.00 12.36 ? 698 HOH A O 1 HETATM 3145 O O . HOH W 10 . ? 13.835 -5.293 23.339 1.00 18.61 ? 699 HOH A O 1 HETATM 3146 O O . HOH W 10 . ? 25.104 -1.048 21.195 1.00 12.06 ? 700 HOH A O 1 HETATM 3147 O O . HOH W 10 . ? 6.133 -0.572 11.555 1.00 13.52 ? 702 HOH A O 1 HETATM 3148 O O . HOH W 10 . ? 22.556 -7.158 19.236 1.00 13.39 ? 704 HOH A O 1 HETATM 3149 O O . HOH W 10 . ? 18.927 -0.312 9.271 1.00 13.40 ? 705 HOH A O 1 HETATM 3150 O O . HOH W 10 . ? 19.333 -13.500 10.562 1.00 18.39 ? 706 HOH A O 1 HETATM 3151 O O . HOH W 10 . ? 5.379 -16.493 -4.755 1.00 47.12 ? 707 HOH A O 1 HETATM 3152 O O . HOH W 10 . ? 19.204 -21.801 8.999 1.00 54.63 ? 708 HOH A O 1 HETATM 3153 O O . HOH W 10 . ? -7.906 -17.849 17.887 1.00 58.98 ? 709 HOH A O 1 HETATM 3154 O O . HOH W 10 . ? 0.734 14.923 21.673 1.00 44.62 ? 710 HOH A O 1 HETATM 3155 O O . HOH W 10 . ? 8.276 -10.030 32.265 1.00 38.13 ? 711 HOH A O 1 HETATM 3156 O O . HOH W 10 . ? 5.223 19.030 25.373 1.00 62.59 ? 712 HOH A O 1 HETATM 3157 O O . HOH W 10 . ? 28.213 22.315 6.019 1.00 58.28 ? 713 HOH A O 1 HETATM 3158 O O . HOH W 10 . ? 0.031 -12.575 -5.943 1.00 35.23 ? 714 HOH A O 1 HETATM 3159 O O . HOH W 10 . ? 38.806 9.151 24.165 1.00 23.00 ? 715 HOH A O 1 HETATM 3160 O O . HOH W 10 . ? 5.448 -20.057 10.652 1.00 23.33 ? 716 HOH A O 1 HETATM 3161 O O . HOH W 10 . ? 13.577 -23.513 22.850 1.00 23.31 ? 717 HOH A O 1 HETATM 3162 O O . HOH W 10 . ? 19.353 -16.883 27.001 1.00 24.53 ? 718 HOH A O 1 HETATM 3163 O O . HOH W 10 . ? 4.821 12.788 9.948 1.00 34.98 ? 719 HOH A O 1 HETATM 3164 O O . HOH W 10 . ? 18.290 14.951 14.551 1.00 35.21 ? 720 HOH A O 1 HETATM 3165 O O . HOH W 10 . ? 28.504 20.684 27.248 1.00 46.92 ? 721 HOH A O 1 HETATM 3166 O O . HOH W 10 . ? 21.518 -14.050 12.016 1.00 29.50 ? 722 HOH A O 1 HETATM 3167 O O . HOH W 10 . ? -4.180 -8.903 -3.237 1.00 28.23 ? 723 HOH A O 1 HETATM 3168 O O . HOH W 10 . ? 24.577 -17.361 -0.333 1.00 51.47 ? 724 HOH A O 1 HETATM 3169 O O . HOH W 10 . ? 2.025 -13.824 24.132 1.00 28.15 ? 725 HOH A O 1 HETATM 3170 O O . HOH W 10 . ? 35.978 -0.674 29.061 1.00 28.17 ? 726 HOH A O 1 HETATM 3171 O O . HOH W 10 . ? 5.573 5.612 30.521 1.00 33.42 ? 727 HOH A O 1 HETATM 3172 O O . HOH W 10 . ? 44.811 -0.102 20.439 1.00 37.43 ? 728 HOH A O 1 HETATM 3173 O O . HOH W 10 . ? 10.150 -5.255 28.160 1.00 43.85 ? 729 HOH A O 1 HETATM 3174 O O . HOH W 10 . ? -3.759 -2.667 31.939 1.00 55.00 ? 730 HOH A O 1 HETATM 3175 O O . HOH W 10 . ? 10.260 12.489 6.916 1.00 59.03 ? 731 HOH A O 1 HETATM 3176 O O . HOH W 10 . ? 3.102 -12.700 26.558 1.00 32.88 ? 732 HOH A O 1 HETATM 3177 O O . HOH W 10 . ? 22.434 -16.114 15.400 1.00 31.83 ? 733 HOH A O 1 HETATM 3178 O O . HOH W 10 . ? 15.980 3.034 -5.982 1.00 56.49 ? 734 HOH A O 1 HETATM 3179 O O . HOH W 10 . ? 27.370 -3.775 6.398 1.00 31.83 ? 735 HOH A O 1 HETATM 3180 O O . HOH W 10 . ? 29.900 -8.434 10.346 1.00 51.07 ? 736 HOH A O 1 HETATM 3181 O O . HOH W 10 . ? 11.244 -20.605 3.866 1.00 33.37 ? 737 HOH A O 1 HETATM 3182 O O . HOH W 10 . ? 13.123 16.364 4.504 1.00 71.51 ? 738 HOH A O 1 HETATM 3183 O O . HOH W 10 . ? 7.228 -26.305 15.613 1.00 63.31 ? 739 HOH A O 1 HETATM 3184 O O . HOH W 10 . ? -7.405 -1.357 -2.918 1.00 49.45 ? 740 HOH A O 1 HETATM 3185 O O . HOH W 10 . ? -4.505 5.404 17.048 1.00 34.07 ? 741 HOH A O 1 HETATM 3186 O O . HOH W 10 . ? 33.073 20.380 28.171 1.00 45.69 ? 742 HOH A O 1 HETATM 3187 O O . HOH W 10 . ? 22.206 11.087 35.165 1.00 36.54 ? 743 HOH A O 1 HETATM 3188 O O . HOH W 10 . ? 11.156 -24.764 20.867 1.00 56.24 ? 744 HOH A O 1 HETATM 3189 O O . HOH W 10 . ? 12.144 -16.818 0.318 1.00 39.33 ? 745 HOH A O 1 HETATM 3190 O O . HOH W 10 . ? 22.218 -3.754 1.944 1.00 31.24 ? 746 HOH A O 1 HETATM 3191 O O . HOH W 10 . ? -4.076 -19.293 12.686 1.00 52.18 ? 747 HOH A O 1 HETATM 3192 O O . HOH W 10 . ? 11.462 -21.532 15.597 1.00 36.23 ? 748 HOH A O 1 HETATM 3193 O O . HOH W 10 . ? 24.089 -8.623 -5.633 1.00 42.63 ? 749 HOH A O 1 HETATM 3194 O O . HOH W 10 . ? 7.054 12.079 5.685 1.00 61.49 ? 750 HOH A O 1 HETATM 3195 O O . HOH W 10 . ? 43.384 6.937 26.817 1.00 47.15 ? 751 HOH A O 1 HETATM 3196 O O . HOH W 10 . ? 40.637 -7.061 20.660 1.00 47.73 ? 752 HOH A O 1 HETATM 3197 O O . HOH W 10 . ? 34.135 -7.333 32.584 1.00 60.93 ? 753 HOH A O 1 HETATM 3198 O O . HOH W 10 . ? -6.294 4.561 10.559 1.00 50.11 ? 754 HOH A O 1 HETATM 3199 O O . HOH W 10 . ? 9.229 -0.177 1.641 1.00 28.63 ? 755 HOH A O 1 HETATM 3200 O O . HOH W 10 . ? 7.161 -3.054 26.929 1.00 31.67 ? 756 HOH A O 1 HETATM 3201 O O . HOH W 10 . ? -9.122 -8.096 25.500 1.00 49.69 ? 757 HOH A O 1 HETATM 3202 O O . HOH W 10 . ? 5.192 22.178 25.630 1.00 55.83 ? 758 HOH A O 1 HETATM 3203 O O . HOH W 10 . ? 10.254 3.564 30.796 1.00 40.02 ? 759 HOH A O 1 HETATM 3204 O O . HOH W 10 . ? 11.827 -27.545 9.375 1.00 55.91 ? 760 HOH A O 1 HETATM 3205 O O . HOH W 10 . ? 30.579 -12.489 10.925 1.00 66.72 ? 761 HOH A O 1 HETATM 3206 O O . HOH W 10 . ? 39.380 -7.081 18.302 1.00 37.50 ? 762 HOH A O 1 HETATM 3207 O O . HOH W 10 . ? 30.605 7.432 -2.159 1.00 72.46 ? 763 HOH A O 1 HETATM 3208 O O . HOH W 10 . ? 25.149 -5.962 -2.854 1.00 43.60 ? 764 HOH A O 1 HETATM 3209 O O . HOH W 10 . ? 5.149 7.414 -5.812 1.00 60.94 ? 765 HOH A O 1 HETATM 3210 O O . HOH W 10 . ? -10.815 -9.024 8.565 1.00 43.99 ? 766 HOH A O 1 HETATM 3211 O O . HOH W 10 . ? 35.365 -2.839 9.057 1.00 30.12 ? 767 HOH A O 1 HETATM 3212 O O . HOH W 10 . ? -3.708 3.869 24.092 1.00 43.33 ? 768 HOH A O 1 HETATM 3213 O O . HOH W 10 . ? 15.032 11.976 13.374 1.00 32.77 ? 769 HOH A O 1 HETATM 3214 O O . HOH W 10 . ? 12.795 7.436 4.344 1.00 34.98 ? 770 HOH A O 1 HETATM 3215 O O . HOH W 10 . ? -1.555 5.991 4.134 1.00 38.10 ? 771 HOH A O 1 HETATM 3216 O O . HOH W 10 . ? 1.894 -15.043 27.783 1.00 32.21 ? 772 HOH A O 1 HETATM 3217 O O . HOH W 10 . ? 21.573 -3.438 6.997 1.00 32.14 ? 773 HOH A O 1 HETATM 3218 O O . HOH W 10 . ? 26.179 -17.095 22.608 1.00 57.06 ? 774 HOH A O 1 HETATM 3219 O O . HOH W 10 . ? 19.471 2.916 2.858 1.00 39.77 ? 775 HOH A O 1 HETATM 3220 O O . HOH W 10 . ? 12.525 -20.630 11.713 1.00 22.84 ? 776 HOH A O 1 HETATM 3221 O O . HOH W 10 . ? 23.024 18.023 12.003 1.00 40.70 ? 777 HOH A O 1 HETATM 3222 O O . HOH W 10 . ? 25.979 -10.878 26.093 1.00 32.61 ? 778 HOH A O 1 HETATM 3223 O O . HOH W 10 . ? 45.543 11.112 28.097 1.00 48.52 ? 779 HOH A O 1 HETATM 3224 O O . HOH W 10 . ? -10.927 -16.138 20.218 1.00 81.17 ? 780 HOH A O 1 HETATM 3225 O O . HOH W 10 . ? 21.542 -16.668 5.016 1.00 33.63 ? 781 HOH A O 1 HETATM 3226 O O . HOH W 10 . ? 34.329 -1.869 30.392 1.00 49.94 ? 782 HOH A O 1 HETATM 3227 O O . HOH W 10 . ? 32.977 -3.257 10.650 1.00 37.62 ? 783 HOH A O 1 HETATM 3228 O O . HOH W 10 . ? -6.649 -12.558 18.178 1.00 33.44 ? 784 HOH A O 1 HETATM 3229 O O . HOH W 10 . ? 15.325 22.682 22.033 1.00 20.64 ? 785 HOH A O 1 HETATM 3230 O O . HOH W 10 . ? 22.065 22.715 9.882 1.00 44.12 ? 786 HOH A O 1 HETATM 3231 O O . HOH W 10 . ? 32.666 3.454 3.412 1.00 40.54 ? 787 HOH A O 1 HETATM 3232 O O . HOH W 10 . ? 36.511 15.827 24.445 1.00 37.99 ? 788 HOH A O 1 HETATM 3233 O O . HOH W 10 . ? 6.353 -21.917 22.108 1.00 32.29 ? 789 HOH A O 1 HETATM 3234 O O . HOH W 10 . ? -6.472 -12.004 5.425 1.00 33.21 ? 790 HOH A O 1 HETATM 3235 O O . HOH W 10 . ? 46.023 8.509 27.572 1.00 65.10 ? 791 HOH A O 1 HETATM 3236 O O . HOH W 10 . ? 24.142 16.412 24.380 1.00 33.31 ? 792 HOH A O 1 HETATM 3237 O O . HOH W 10 . ? 8.564 11.424 13.871 1.00 41.33 ? 793 HOH A O 1 HETATM 3238 O O . HOH W 10 . ? 15.571 6.443 3.430 1.00 31.10 ? 794 HOH A O 1 HETATM 3239 O O . HOH W 10 . ? -4.858 -16.640 17.267 1.00 37.56 ? 795 HOH A O 1 HETATM 3240 O O . HOH W 10 . ? 24.276 -18.121 15.644 1.00 33.34 ? 796 HOH A O 1 HETATM 3241 O O . HOH W 10 . ? 32.857 16.673 12.562 1.00 37.29 ? 797 HOH A O 1 HETATM 3242 O O . HOH W 10 . ? 10.904 -23.072 18.333 1.00 73.23 ? 798 HOH A O 1 HETATM 3243 O O . HOH W 10 . ? 1.375 9.852 7.777 1.00 28.12 ? 799 HOH A O 1 HETATM 3244 O O . HOH W 10 . ? 2.928 9.247 9.563 1.00 21.15 ? 800 HOH A O 1 HETATM 3245 O O . HOH W 10 . ? -9.232 -1.461 -1.488 1.00 45.25 ? 801 HOH A O 1 HETATM 3246 O O . HOH W 10 . ? 12.320 15.416 27.932 1.00 18.57 ? 802 HOH A O 1 HETATM 3247 O O . HOH W 10 . ? 29.710 18.429 32.487 1.00 47.42 ? 803 HOH A O 1 HETATM 3248 O O . HOH W 10 . ? 30.014 -4.540 5.016 1.00 40.80 ? 804 HOH A O 1 HETATM 3249 O O . HOH W 10 . ? 15.639 19.901 18.327 1.00 37.29 ? 805 HOH A O 1 HETATM 3250 O O . HOH W 10 . ? 32.592 15.677 5.791 1.00 50.51 ? 806 HOH A O 1 HETATM 3251 O O . HOH W 10 . ? 14.697 24.659 16.417 1.00 35.81 ? 807 HOH A O 1 HETATM 3252 O O . HOH W 10 . ? -8.013 16.968 24.008 1.00 49.80 ? 808 HOH A O 1 HETATM 3253 O O . HOH W 10 . ? 21.044 20.250 11.100 1.00 53.38 ? 809 HOH A O 1 HETATM 3254 O O . HOH W 10 . ? -10.752 -5.374 11.537 1.00 41.25 ? 810 HOH A O 1 HETATM 3255 O O . HOH W 10 . ? 6.646 15.118 25.585 1.00 35.01 ? 811 HOH A O 1 HETATM 3256 O O . HOH W 10 . ? 20.128 -20.842 11.209 1.00 50.24 ? 812 HOH A O 1 HETATM 3257 O O . HOH W 10 . ? -0.225 -21.060 20.656 1.00 42.31 ? 813 HOH A O 1 HETATM 3258 O O . HOH W 10 . ? -6.779 4.956 8.042 1.00 76.43 ? 814 HOH A O 1 HETATM 3259 O O . HOH W 10 . ? 29.220 15.176 4.087 1.00 43.40 ? 815 HOH A O 1 HETATM 3260 O O . HOH W 10 . ? -3.698 2.361 26.370 1.00 54.35 ? 816 HOH A O 1 HETATM 3261 O O . HOH W 10 . ? 41.645 12.576 31.980 1.00 59.98 ? 817 HOH A O 1 HETATM 3262 O O . HOH W 10 . ? 11.339 10.140 34.143 1.00 40.82 ? 818 HOH A O 1 HETATM 3263 O O . HOH W 10 . ? 31.350 19.984 17.944 1.00 48.03 ? 819 HOH A O 1 HETATM 3264 O O . HOH W 10 . ? 11.252 9.754 2.706 1.00 62.75 ? 820 HOH A O 1 HETATM 3265 O O . HOH W 10 . ? 20.592 1.344 17.741 1.00 31.07 ? 821 HOH A O 1 HETATM 3266 O O . HOH W 10 . ? 8.184 -21.229 12.530 1.00 36.82 ? 822 HOH A O 1 HETATM 3267 O O . HOH W 10 . ? 17.704 -15.787 -9.502 1.00 36.01 ? 823 HOH A O 1 HETATM 3268 O O . HOH W 10 . ? 15.010 6.075 -4.010 1.00 38.88 ? 824 HOH A O 1 HETATM 3269 O O . HOH W 10 . ? 8.812 -10.663 -9.576 1.00 52.23 ? 825 HOH A O 1 HETATM 3270 O O . HOH W 10 . ? 7.507 -21.358 9.908 1.00 68.21 ? 826 HOH A O 1 HETATM 3271 O O . HOH W 10 . ? -0.779 -19.839 4.118 1.00 37.93 ? 827 HOH A O 1 HETATM 3272 O O . HOH W 10 . ? 13.113 -25.844 18.668 1.00 51.04 ? 828 HOH A O 1 HETATM 3273 O O . HOH W 10 . ? 6.258 -8.627 27.933 1.00 64.93 ? 829 HOH A O 1 HETATM 3274 O O . HOH W 10 . ? 41.996 -0.607 27.228 1.00 59.54 ? 830 HOH A O 1 HETATM 3275 O O . HOH W 10 . ? 42.158 -4.325 5.101 1.00 49.11 ? 831 HOH A O 1 HETATM 3276 O O . HOH W 10 . ? 7.201 1.264 -10.162 1.00 48.80 ? 832 HOH A O 1 HETATM 3277 O O . HOH W 10 . ? -11.132 -3.953 16.062 1.00 59.52 ? 833 HOH A O 1 HETATM 3278 O O . HOH W 10 . ? 5.629 -22.401 14.869 1.00 50.39 ? 834 HOH A O 1 HETATM 3279 O O . HOH W 10 . ? 20.726 5.169 2.296 1.00 35.75 ? 835 HOH A O 1 HETATM 3280 O O . HOH W 10 . ? 14.651 14.240 -9.894 1.00 66.70 ? 836 HOH A O 1 HETATM 3281 O O . HOH W 10 . ? 23.281 21.098 13.600 1.00 49.07 ? 837 HOH A O 1 HETATM 3282 O O . HOH W 10 . ? 16.230 -18.685 4.005 1.00 38.14 ? 838 HOH A O 1 HETATM 3283 O O . HOH W 10 . ? -2.072 6.626 0.751 1.00 46.35 ? 839 HOH A O 1 HETATM 3284 O O . HOH W 10 . ? 10.196 22.540 23.551 1.00 33.43 ? 840 HOH A O 1 HETATM 3285 O O . HOH W 10 . ? 17.261 -18.013 -1.884 1.00 52.85 ? 841 HOH A O 1 HETATM 3286 O O . HOH W 10 . ? -5.798 -17.787 19.680 1.00 54.15 ? 842 HOH A O 1 HETATM 3287 O O . HOH W 10 . ? 42.570 5.456 3.547 1.00 42.43 ? 843 HOH A O 1 HETATM 3288 O O . HOH W 10 . ? 44.236 12.593 33.390 1.00 62.70 ? 844 HOH A O 1 HETATM 3289 O O . HOH W 10 . ? 16.120 4.206 42.162 1.00 51.65 ? 845 HOH A O 1 HETATM 3290 O O . HOH W 10 . ? 31.796 -5.170 8.237 1.00 37.76 ? 846 HOH A O 1 HETATM 3291 O O . HOH W 10 . ? 10.763 -3.494 29.996 1.00 60.66 ? 847 HOH A O 1 HETATM 3292 O O . HOH W 10 . ? 11.731 14.330 10.564 1.00 41.38 ? 848 HOH A O 1 HETATM 3293 O O . HOH W 10 . ? 7.910 11.566 28.395 1.00 42.77 ? 849 HOH A O 1 HETATM 3294 O O . HOH W 10 . ? 32.317 17.565 9.390 1.00 45.07 ? 850 HOH A O 1 HETATM 3295 O O . HOH W 10 . ? -5.330 5.962 26.350 1.00 61.92 ? 851 HOH A O 1 HETATM 3296 O O . HOH W 10 . ? 16.660 -4.186 -9.079 1.00 40.52 ? 852 HOH A O 1 HETATM 3297 O O . HOH W 10 . ? 36.288 16.080 10.709 1.00 50.38 ? 853 HOH A O 1 HETATM 3298 O O . HOH W 10 . ? 17.841 15.742 -4.769 1.00 81.29 ? 854 HOH A O 1 HETATM 3299 O O . HOH W 10 . ? 22.392 -23.743 12.601 1.00 63.27 ? 855 HOH A O 1 HETATM 3300 O O . HOH W 10 . ? 11.031 1.621 38.322 1.00 57.72 ? 856 HOH A O 1 HETATM 3301 O O . HOH W 10 . ? 24.182 2.211 2.968 1.00 43.45 ? 857 HOH A O 1 HETATM 3302 O O . HOH W 10 . ? 4.795 -27.287 15.216 1.00 48.67 ? 858 HOH A O 1 HETATM 3303 O O . HOH W 10 . ? 14.855 -18.745 -3.400 1.00 52.07 ? 859 HOH A O 1 HETATM 3304 O O . HOH W 10 . ? -9.119 14.608 23.219 1.00 91.74 ? 860 HOH A O 1 HETATM 3305 O O . HOH W 10 . ? 17.417 18.703 -4.128 1.00 66.95 ? 861 HOH A O 1 HETATM 3306 O O . HOH W 10 . ? -5.950 16.685 21.975 1.00 62.37 ? 862 HOH A O 1 HETATM 3307 O O . HOH W 10 . ? 4.652 15.309 11.807 1.00 73.16 ? 863 HOH A O 1 HETATM 3308 O O . HOH W 10 . ? 39.051 15.014 12.275 1.00 68.04 ? 864 HOH A O 1 HETATM 3309 O O . HOH W 10 . ? 28.219 -16.107 20.639 1.00 54.44 ? 865 HOH A O 1 HETATM 3310 O O . HOH W 10 . ? 32.365 -13.233 19.067 1.00 41.22 ? 866 HOH A O 1 HETATM 3311 O O . HOH W 10 . ? 41.125 -2.621 22.600 1.00 48.80 ? 867 HOH A O 1 HETATM 3312 O O . HOH W 10 . ? 8.370 20.577 22.988 1.00 52.51 ? 868 HOH A O 1 HETATM 3313 O O . HOH W 10 . ? 15.667 3.961 40.017 1.00 23.90 ? 869 HOH A O 1 HETATM 3314 O O . HOH W 10 . ? 22.682 -2.606 4.454 1.00 30.77 ? 870 HOH A O 1 HETATM 3315 O O . HOH W 10 . ? 0.410 -19.021 7.050 1.00 51.07 ? 871 HOH A O 1 HETATM 3316 O O . HOH W 10 . ? 20.615 9.405 34.184 1.00 38.28 ? 872 HOH A O 1 HETATM 3317 O O . HOH W 10 . ? 6.930 12.598 17.357 1.00 30.30 ? 873 HOH A O 1 HETATM 3318 O O . HOH W 10 . ? 17.564 9.430 25.980 1.00 31.15 ? 874 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 FE 1 999 999 FE FE A . C 3 CO3 1 687 687 CO3 CO3 A . D 4 DIF 1 701 701 DIF DIF A . E 5 SO4 1 1 1 SO4 SO4 A . F 5 SO4 1 2 2 SO4 SO4 A . G 6 ZN 1 688 1 ZN ZN A . H 6 ZN 1 689 2 ZN ZN A . I 7 NAG 1 690 1 NAG NAG A . J 7 NAG 2 691 2 NAG NAG A . K 7 NAG 1 3 3 NAG NAG A . L 7 NAG 2 4 4 NAG NAG A . M 8 MAN 3 5 5 MAN MAN A . N 8 MAN 4 6 6 MAN MAN A . O 8 MAN 5 7 7 MAN MAN A . P 7 NAG 1 8 8 NAG NAG A . Q 7 NAG 2 9 9 NAG NAG A . R 8 MAN 3 10 10 MAN MAN A . S 8 MAN 4 11 11 MAN MAN A . T 8 MAN 5 12 12 MAN MAN A . U 8 MAN 6 13 13 MAN MAN A . V 9 EOH 1 703 703 EOH EOH A . W 10 HOH 1 14 14 HOH HOH A . W 10 HOH 2 15 15 HOH HOH A . W 10 HOH 3 16 16 HOH HOH A . W 10 HOH 4 17 17 HOH HOH A . W 10 HOH 5 18 18 HOH HOH A . W 10 HOH 6 19 19 HOH HOH A . W 10 HOH 7 20 20 HOH HOH A . W 10 HOH 8 21 21 HOH HOH A . W 10 HOH 9 22 22 HOH HOH A . W 10 HOH 10 23 23 HOH HOH A . W 10 HOH 11 24 24 HOH HOH A . W 10 HOH 12 25 25 HOH HOH A . W 10 HOH 13 26 26 HOH HOH A . W 10 HOH 14 27 27 HOH HOH A . W 10 HOH 15 28 28 HOH HOH A . W 10 HOH 16 29 29 HOH HOH A . W 10 HOH 17 30 30 HOH HOH A . W 10 HOH 18 31 31 HOH HOH A . W 10 HOH 19 32 32 HOH HOH A . W 10 HOH 20 33 33 HOH HOH A . W 10 HOH 21 34 34 HOH HOH A . W 10 HOH 22 35 35 HOH HOH A . W 10 HOH 23 36 36 HOH HOH A . W 10 HOH 24 37 37 HOH HOH A . W 10 HOH 25 38 38 HOH HOH A . W 10 HOH 26 39 39 HOH HOH A . W 10 HOH 27 40 40 HOH HOH A . W 10 HOH 28 41 41 HOH HOH A . W 10 HOH 29 42 42 HOH HOH A . W 10 HOH 30 43 43 HOH HOH A . W 10 HOH 31 44 44 HOH HOH A . W 10 HOH 32 45 45 HOH HOH A . W 10 HOH 33 46 46 HOH HOH A . W 10 HOH 34 47 47 HOH HOH A . W 10 HOH 35 48 48 HOH HOH A . W 10 HOH 36 49 49 HOH HOH A . W 10 HOH 37 50 50 HOH HOH A . W 10 HOH 38 51 51 HOH HOH A . W 10 HOH 39 52 52 HOH HOH A . W 10 HOH 40 53 53 HOH HOH A . W 10 HOH 41 54 54 HOH HOH A . W 10 HOH 42 55 55 HOH HOH A . W 10 HOH 43 56 56 HOH HOH A . W 10 HOH 44 57 57 HOH HOH A . W 10 HOH 45 58 58 HOH HOH A . W 10 HOH 46 59 59 HOH HOH A . W 10 HOH 47 60 60 HOH HOH A . W 10 HOH 48 61 61 HOH HOH A . W 10 HOH 49 62 62 HOH HOH A . W 10 HOH 50 63 63 HOH HOH A . W 10 HOH 51 64 64 HOH HOH A . W 10 HOH 52 65 65 HOH HOH A . W 10 HOH 53 66 66 HOH HOH A . W 10 HOH 54 67 67 HOH HOH A . W 10 HOH 55 68 68 HOH HOH A . W 10 HOH 56 69 69 HOH HOH A . W 10 HOH 57 70 70 HOH HOH A . W 10 HOH 58 71 71 HOH HOH A . W 10 HOH 59 72 72 HOH HOH A . W 10 HOH 60 73 73 HOH HOH A . W 10 HOH 61 74 74 HOH HOH A . W 10 HOH 62 75 75 HOH HOH A . W 10 HOH 63 76 76 HOH HOH A . W 10 HOH 64 77 77 HOH HOH A . W 10 HOH 65 78 78 HOH HOH A . W 10 HOH 66 79 79 HOH HOH A . W 10 HOH 67 80 80 HOH HOH A . W 10 HOH 68 81 81 HOH HOH A . W 10 HOH 69 82 82 HOH HOH A . W 10 HOH 70 83 83 HOH HOH A . W 10 HOH 71 84 84 HOH HOH A . W 10 HOH 72 85 85 HOH HOH A . W 10 HOH 73 86 86 HOH HOH A . W 10 HOH 74 87 87 HOH HOH A . W 10 HOH 75 88 88 HOH HOH A . W 10 HOH 76 89 89 HOH HOH A . W 10 HOH 77 90 90 HOH HOH A . W 10 HOH 78 91 91 HOH HOH A . W 10 HOH 79 92 92 HOH HOH A . W 10 HOH 80 93 93 HOH HOH A . W 10 HOH 81 94 94 HOH HOH A . W 10 HOH 82 95 95 HOH HOH A . W 10 HOH 83 96 96 HOH HOH A . W 10 HOH 84 97 97 HOH HOH A . W 10 HOH 85 98 98 HOH HOH A . W 10 HOH 86 99 99 HOH HOH A . W 10 HOH 87 100 100 HOH HOH A . W 10 HOH 88 101 101 HOH HOH A . W 10 HOH 89 102 102 HOH HOH A . W 10 HOH 90 103 103 HOH HOH A . W 10 HOH 91 104 104 HOH HOH A . W 10 HOH 92 105 105 HOH HOH A . W 10 HOH 93 106 106 HOH HOH A . W 10 HOH 94 107 107 HOH HOH A . W 10 HOH 95 108 108 HOH HOH A . W 10 HOH 96 109 109 HOH HOH A . W 10 HOH 97 110 110 HOH HOH A . W 10 HOH 98 111 111 HOH HOH A . W 10 HOH 99 112 112 HOH HOH A . W 10 HOH 100 113 113 HOH HOH A . W 10 HOH 101 114 114 HOH HOH A . W 10 HOH 102 115 115 HOH HOH A . W 10 HOH 103 116 116 HOH HOH A . W 10 HOH 104 117 117 HOH HOH A . W 10 HOH 105 118 118 HOH HOH A . W 10 HOH 106 119 119 HOH HOH A . W 10 HOH 107 120 120 HOH HOH A . W 10 HOH 108 121 121 HOH HOH A . W 10 HOH 109 122 122 HOH HOH A . W 10 HOH 110 123 123 HOH HOH A . W 10 HOH 111 124 124 HOH HOH A . W 10 HOH 112 125 125 HOH HOH A . W 10 HOH 113 126 126 HOH HOH A . W 10 HOH 114 127 127 HOH HOH A . W 10 HOH 115 128 128 HOH HOH A . W 10 HOH 116 129 129 HOH HOH A . W 10 HOH 117 130 130 HOH HOH A . W 10 HOH 118 131 131 HOH HOH A . W 10 HOH 119 132 132 HOH HOH A . W 10 HOH 120 133 133 HOH HOH A . W 10 HOH 121 134 134 HOH HOH A . W 10 HOH 122 135 135 HOH HOH A . W 10 HOH 123 136 136 HOH HOH A . W 10 HOH 124 137 137 HOH HOH A . W 10 HOH 125 138 138 HOH HOH A . W 10 HOH 126 139 139 HOH HOH A . W 10 HOH 127 140 140 HOH HOH A . W 10 HOH 128 141 141 HOH HOH A . W 10 HOH 129 142 142 HOH HOH A . W 10 HOH 130 143 143 HOH HOH A . W 10 HOH 131 144 144 HOH HOH A . W 10 HOH 132 145 145 HOH HOH A . W 10 HOH 133 146 146 HOH HOH A . W 10 HOH 134 147 147 HOH HOH A . W 10 HOH 135 148 148 HOH HOH A . W 10 HOH 136 149 149 HOH HOH A . W 10 HOH 137 150 150 HOH HOH A . W 10 HOH 138 151 151 HOH HOH A . W 10 HOH 139 152 152 HOH HOH A . W 10 HOH 140 153 153 HOH HOH A . W 10 HOH 141 154 154 HOH HOH A . W 10 HOH 142 155 155 HOH HOH A . W 10 HOH 143 156 156 HOH HOH A . W 10 HOH 144 157 157 HOH HOH A . W 10 HOH 145 158 158 HOH HOH A . W 10 HOH 146 159 159 HOH HOH A . W 10 HOH 147 160 160 HOH HOH A . W 10 HOH 148 161 161 HOH HOH A . W 10 HOH 149 162 162 HOH HOH A . W 10 HOH 150 163 163 HOH HOH A . W 10 HOH 151 164 164 HOH HOH A . W 10 HOH 152 165 165 HOH HOH A . W 10 HOH 153 166 166 HOH HOH A . W 10 HOH 154 167 167 HOH HOH A . W 10 HOH 155 168 168 HOH HOH A . W 10 HOH 156 169 169 HOH HOH A . W 10 HOH 157 170 170 HOH HOH A . W 10 HOH 158 171 171 HOH HOH A . W 10 HOH 159 172 172 HOH HOH A . W 10 HOH 160 173 173 HOH HOH A . W 10 HOH 161 174 174 HOH HOH A . W 10 HOH 162 175 175 HOH HOH A . W 10 HOH 163 176 176 HOH HOH A . W 10 HOH 164 177 177 HOH HOH A . W 10 HOH 165 178 178 HOH HOH A . W 10 HOH 166 179 179 HOH HOH A . W 10 HOH 167 180 180 HOH HOH A . W 10 HOH 168 181 181 HOH HOH A . W 10 HOH 169 182 182 HOH HOH A . W 10 HOH 170 183 183 HOH HOH A . W 10 HOH 171 184 184 HOH HOH A . W 10 HOH 172 185 185 HOH HOH A . W 10 HOH 173 186 186 HOH HOH A . W 10 HOH 174 187 187 HOH HOH A . W 10 HOH 175 188 188 HOH HOH A . W 10 HOH 176 189 189 HOH HOH A . W 10 HOH 177 190 190 HOH HOH A . W 10 HOH 178 191 191 HOH HOH A . W 10 HOH 179 192 192 HOH HOH A . W 10 HOH 180 193 193 HOH HOH A . W 10 HOH 181 194 194 HOH HOH A . W 10 HOH 182 195 195 HOH HOH A . W 10 HOH 183 196 196 HOH HOH A . W 10 HOH 184 197 197 HOH HOH A . W 10 HOH 185 198 198 HOH HOH A . W 10 HOH 186 199 199 HOH HOH A . W 10 HOH 187 200 200 HOH HOH A . W 10 HOH 188 201 201 HOH HOH A . W 10 HOH 189 202 202 HOH HOH A . W 10 HOH 190 203 203 HOH HOH A . W 10 HOH 191 204 204 HOH HOH A . W 10 HOH 192 205 205 HOH HOH A . W 10 HOH 193 206 206 HOH HOH A . W 10 HOH 194 207 207 HOH HOH A . W 10 HOH 195 208 208 HOH HOH A . W 10 HOH 196 209 209 HOH HOH A . W 10 HOH 197 210 210 HOH HOH A . W 10 HOH 198 211 211 HOH HOH A . W 10 HOH 199 212 212 HOH HOH A . W 10 HOH 200 213 213 HOH HOH A . W 10 HOH 201 214 214 HOH HOH A . W 10 HOH 202 215 215 HOH HOH A . W 10 HOH 203 216 216 HOH HOH A . W 10 HOH 204 217 217 HOH HOH A . W 10 HOH 205 218 218 HOH HOH A . W 10 HOH 206 219 219 HOH HOH A . W 10 HOH 207 220 220 HOH HOH A . W 10 HOH 208 221 221 HOH HOH A . W 10 HOH 209 222 222 HOH HOH A . W 10 HOH 210 223 223 HOH HOH A . W 10 HOH 211 224 224 HOH HOH A . W 10 HOH 212 225 225 HOH HOH A . W 10 HOH 213 226 226 HOH HOH A . W 10 HOH 214 227 227 HOH HOH A . W 10 HOH 215 228 228 HOH HOH A . W 10 HOH 216 229 229 HOH HOH A . W 10 HOH 217 230 230 HOH HOH A . W 10 HOH 218 231 231 HOH HOH A . W 10 HOH 219 232 232 HOH HOH A . W 10 HOH 220 233 233 HOH HOH A . W 10 HOH 221 234 234 HOH HOH A . W 10 HOH 222 235 235 HOH HOH A . W 10 HOH 223 236 236 HOH HOH A . W 10 HOH 224 237 237 HOH HOH A . W 10 HOH 225 238 238 HOH HOH A . W 10 HOH 226 239 239 HOH HOH A . W 10 HOH 227 240 240 HOH HOH A . W 10 HOH 228 241 241 HOH HOH A . W 10 HOH 229 242 242 HOH HOH A . W 10 HOH 230 243 243 HOH HOH A . W 10 HOH 231 244 244 HOH HOH A . W 10 HOH 232 245 245 HOH HOH A . W 10 HOH 233 246 246 HOH HOH A . W 10 HOH 234 247 247 HOH HOH A . W 10 HOH 235 248 248 HOH HOH A . W 10 HOH 236 249 249 HOH HOH A . W 10 HOH 237 250 250 HOH HOH A . W 10 HOH 238 251 251 HOH HOH A . W 10 HOH 239 252 252 HOH HOH A . W 10 HOH 240 253 253 HOH HOH A . W 10 HOH 241 254 254 HOH HOH A . W 10 HOH 242 255 255 HOH HOH A . W 10 HOH 243 256 256 HOH HOH A . W 10 HOH 244 257 257 HOH HOH A . W 10 HOH 245 258 258 HOH HOH A . W 10 HOH 246 259 259 HOH HOH A . W 10 HOH 247 260 260 HOH HOH A . W 10 HOH 248 261 261 HOH HOH A . W 10 HOH 249 262 262 HOH HOH A . W 10 HOH 250 263 263 HOH HOH A . W 10 HOH 251 264 264 HOH HOH A . W 10 HOH 252 265 265 HOH HOH A . W 10 HOH 253 266 266 HOH HOH A . W 10 HOH 254 267 267 HOH HOH A . W 10 HOH 255 268 268 HOH HOH A . W 10 HOH 256 269 269 HOH HOH A . W 10 HOH 257 270 270 HOH HOH A . W 10 HOH 258 271 271 HOH HOH A . W 10 HOH 259 272 272 HOH HOH A . W 10 HOH 260 273 273 HOH HOH A . W 10 HOH 261 274 274 HOH HOH A . W 10 HOH 262 275 275 HOH HOH A . W 10 HOH 263 276 276 HOH HOH A . W 10 HOH 264 277 277 HOH HOH A . W 10 HOH 265 278 278 HOH HOH A . W 10 HOH 266 279 279 HOH HOH A . W 10 HOH 267 280 280 HOH HOH A . W 10 HOH 268 281 281 HOH HOH A . W 10 HOH 269 282 282 HOH HOH A . W 10 HOH 270 283 283 HOH HOH A . W 10 HOH 271 284 284 HOH HOH A . W 10 HOH 272 285 285 HOH HOH A . W 10 HOH 273 286 286 HOH HOH A . W 10 HOH 274 287 287 HOH HOH A . W 10 HOH 275 288 288 HOH HOH A . W 10 HOH 276 289 289 HOH HOH A . W 10 HOH 277 290 290 HOH HOH A . W 10 HOH 278 291 291 HOH HOH A . W 10 HOH 279 292 292 HOH HOH A . W 10 HOH 280 293 293 HOH HOH A . W 10 HOH 281 294 294 HOH HOH A . W 10 HOH 282 295 295 HOH HOH A . W 10 HOH 283 296 296 HOH HOH A . W 10 HOH 284 297 297 HOH HOH A . W 10 HOH 285 298 298 HOH HOH A . W 10 HOH 286 299 299 HOH HOH A . W 10 HOH 287 300 300 HOH HOH A . W 10 HOH 288 301 301 HOH HOH A . W 10 HOH 289 302 302 HOH HOH A . W 10 HOH 290 303 303 HOH HOH A . W 10 HOH 291 304 304 HOH HOH A . W 10 HOH 292 305 305 HOH HOH A . W 10 HOH 293 306 306 HOH HOH A . W 10 HOH 294 307 307 HOH HOH A . W 10 HOH 295 308 308 HOH HOH A . W 10 HOH 296 309 309 HOH HOH A . W 10 HOH 297 310 310 HOH HOH A . W 10 HOH 298 311 311 HOH HOH A . W 10 HOH 299 312 312 HOH HOH A . W 10 HOH 300 313 313 HOH HOH A . W 10 HOH 301 314 314 HOH HOH A . W 10 HOH 302 315 315 HOH HOH A . W 10 HOH 303 316 316 HOH HOH A . W 10 HOH 304 317 317 HOH HOH A . W 10 HOH 305 318 318 HOH HOH A . W 10 HOH 306 319 319 HOH HOH A . W 10 HOH 307 320 320 HOH HOH A . W 10 HOH 308 321 321 HOH HOH A . W 10 HOH 309 322 322 HOH HOH A . W 10 HOH 310 323 323 HOH HOH A . W 10 HOH 311 324 324 HOH HOH A . W 10 HOH 312 325 325 HOH HOH A . W 10 HOH 313 326 326 HOH HOH A . W 10 HOH 314 327 327 HOH HOH A . W 10 HOH 315 328 328 HOH HOH A . W 10 HOH 316 329 329 HOH HOH A . W 10 HOH 317 330 330 HOH HOH A . W 10 HOH 318 331 331 HOH HOH A . W 10 HOH 319 332 332 HOH HOH A . W 10 HOH 320 333 333 HOH HOH A . W 10 HOH 321 334 334 HOH HOH A . W 10 HOH 322 335 335 HOH HOH A . W 10 HOH 323 336 336 HOH HOH A . W 10 HOH 324 337 337 HOH HOH A . W 10 HOH 325 338 338 HOH HOH A . W 10 HOH 326 339 339 HOH HOH A . W 10 HOH 327 340 340 HOH HOH A . W 10 HOH 328 341 341 HOH HOH A . W 10 HOH 329 692 1 HOH HOH A . W 10 HOH 330 693 2 HOH HOH A . W 10 HOH 331 694 3 HOH HOH A . W 10 HOH 332 695 4 HOH HOH A . W 10 HOH 333 696 5 HOH HOH A . W 10 HOH 334 697 6 HOH HOH A . W 10 HOH 335 698 7 HOH HOH A . W 10 HOH 336 699 8 HOH HOH A . W 10 HOH 337 700 9 HOH HOH A . W 10 HOH 338 702 10 HOH HOH A . W 10 HOH 339 704 11 HOH HOH A . W 10 HOH 340 705 12 HOH HOH A . W 10 HOH 341 706 13 HOH HOH A . W 10 HOH 342 707 342 HOH HOH A . W 10 HOH 343 708 343 HOH HOH A . W 10 HOH 344 709 344 HOH HOH A . W 10 HOH 345 710 345 HOH HOH A . W 10 HOH 346 711 346 HOH HOH A . W 10 HOH 347 712 347 HOH HOH A . W 10 HOH 348 713 348 HOH HOH A . W 10 HOH 349 714 349 HOH HOH A . W 10 HOH 350 715 350 HOH HOH A . W 10 HOH 351 716 351 HOH HOH A . W 10 HOH 352 717 352 HOH HOH A . W 10 HOH 353 718 353 HOH HOH A . W 10 HOH 354 719 354 HOH HOH A . W 10 HOH 355 720 355 HOH HOH A . W 10 HOH 356 721 356 HOH HOH A . W 10 HOH 357 722 357 HOH HOH A . W 10 HOH 358 723 358 HOH HOH A . W 10 HOH 359 724 359 HOH HOH A . W 10 HOH 360 725 360 HOH HOH A . W 10 HOH 361 726 361 HOH HOH A . W 10 HOH 362 727 362 HOH HOH A . W 10 HOH 363 728 363 HOH HOH A . W 10 HOH 364 729 364 HOH HOH A . W 10 HOH 365 730 365 HOH HOH A . W 10 HOH 366 731 366 HOH HOH A . W 10 HOH 367 732 367 HOH HOH A . W 10 HOH 368 733 368 HOH HOH A . W 10 HOH 369 734 369 HOH HOH A . W 10 HOH 370 735 370 HOH HOH A . W 10 HOH 371 736 371 HOH HOH A . W 10 HOH 372 737 372 HOH HOH A . W 10 HOH 373 738 373 HOH HOH A . W 10 HOH 374 739 374 HOH HOH A . W 10 HOH 375 740 375 HOH HOH A . W 10 HOH 376 741 376 HOH HOH A . W 10 HOH 377 742 377 HOH HOH A . W 10 HOH 378 743 378 HOH HOH A . W 10 HOH 379 744 379 HOH HOH A . W 10 HOH 380 745 380 HOH HOH A . W 10 HOH 381 746 381 HOH HOH A . W 10 HOH 382 747 382 HOH HOH A . W 10 HOH 383 748 383 HOH HOH A . W 10 HOH 384 749 384 HOH HOH A . W 10 HOH 385 750 385 HOH HOH A . W 10 HOH 386 751 386 HOH HOH A . W 10 HOH 387 752 387 HOH HOH A . W 10 HOH 388 753 388 HOH HOH A . W 10 HOH 389 754 389 HOH HOH A . W 10 HOH 390 755 390 HOH HOH A . W 10 HOH 391 756 391 HOH HOH A . W 10 HOH 392 757 392 HOH HOH A . W 10 HOH 393 758 393 HOH HOH A . W 10 HOH 394 759 394 HOH HOH A . W 10 HOH 395 760 395 HOH HOH A . W 10 HOH 396 761 396 HOH HOH A . W 10 HOH 397 762 397 HOH HOH A . W 10 HOH 398 763 398 HOH HOH A . W 10 HOH 399 764 399 HOH HOH A . W 10 HOH 400 765 400 HOH HOH A . W 10 HOH 401 766 401 HOH HOH A . W 10 HOH 402 767 402 HOH HOH A . W 10 HOH 403 768 403 HOH HOH A . W 10 HOH 404 769 404 HOH HOH A . W 10 HOH 405 770 405 HOH HOH A . W 10 HOH 406 771 406 HOH HOH A . W 10 HOH 407 772 407 HOH HOH A . W 10 HOH 408 773 408 HOH HOH A . W 10 HOH 409 774 409 HOH HOH A . W 10 HOH 410 775 410 HOH HOH A . W 10 HOH 411 776 411 HOH HOH A . W 10 HOH 412 777 412 HOH HOH A . W 10 HOH 413 778 413 HOH HOH A . W 10 HOH 414 779 414 HOH HOH A . W 10 HOH 415 780 415 HOH HOH A . W 10 HOH 416 781 416 HOH HOH A . W 10 HOH 417 782 417 HOH HOH A . W 10 HOH 418 783 418 HOH HOH A . W 10 HOH 419 784 419 HOH HOH A . W 10 HOH 420 785 420 HOH HOH A . W 10 HOH 421 786 421 HOH HOH A . W 10 HOH 422 787 422 HOH HOH A . W 10 HOH 423 788 423 HOH HOH A . W 10 HOH 424 789 424 HOH HOH A . W 10 HOH 425 790 425 HOH HOH A . W 10 HOH 426 791 426 HOH HOH A . W 10 HOH 427 792 427 HOH HOH A . W 10 HOH 428 793 428 HOH HOH A . W 10 HOH 429 794 429 HOH HOH A . W 10 HOH 430 795 430 HOH HOH A . W 10 HOH 431 796 431 HOH HOH A . W 10 HOH 432 797 432 HOH HOH A . W 10 HOH 433 798 433 HOH HOH A . W 10 HOH 434 799 434 HOH HOH A . W 10 HOH 435 800 435 HOH HOH A . W 10 HOH 436 801 436 HOH HOH A . W 10 HOH 437 802 437 HOH HOH A . W 10 HOH 438 803 438 HOH HOH A . W 10 HOH 439 804 439 HOH HOH A . W 10 HOH 440 805 440 HOH HOH A . W 10 HOH 441 806 441 HOH HOH A . W 10 HOH 442 807 442 HOH HOH A . W 10 HOH 443 808 443 HOH HOH A . W 10 HOH 444 809 444 HOH HOH A . W 10 HOH 445 810 445 HOH HOH A . W 10 HOH 446 811 446 HOH HOH A . W 10 HOH 447 812 447 HOH HOH A . W 10 HOH 448 813 448 HOH HOH A . W 10 HOH 449 814 449 HOH HOH A . W 10 HOH 450 815 450 HOH HOH A . W 10 HOH 451 816 451 HOH HOH A . W 10 HOH 452 817 452 HOH HOH A . W 10 HOH 453 818 453 HOH HOH A . W 10 HOH 454 819 454 HOH HOH A . W 10 HOH 455 820 455 HOH HOH A . W 10 HOH 456 821 456 HOH HOH A . W 10 HOH 457 822 457 HOH HOH A . W 10 HOH 458 823 458 HOH HOH A . W 10 HOH 459 824 459 HOH HOH A . W 10 HOH 460 825 460 HOH HOH A . W 10 HOH 461 826 461 HOH HOH A . W 10 HOH 462 827 462 HOH HOH A . W 10 HOH 463 828 463 HOH HOH A . W 10 HOH 464 829 464 HOH HOH A . W 10 HOH 465 830 465 HOH HOH A . W 10 HOH 466 831 466 HOH HOH A . W 10 HOH 467 832 467 HOH HOH A . W 10 HOH 468 833 468 HOH HOH A . W 10 HOH 469 834 469 HOH HOH A . W 10 HOH 470 835 470 HOH HOH A . W 10 HOH 471 836 471 HOH HOH A . W 10 HOH 472 837 472 HOH HOH A . W 10 HOH 473 838 473 HOH HOH A . W 10 HOH 474 839 474 HOH HOH A . W 10 HOH 475 840 475 HOH HOH A . W 10 HOH 476 841 476 HOH HOH A . W 10 HOH 477 842 477 HOH HOH A . W 10 HOH 478 843 478 HOH HOH A . W 10 HOH 479 844 479 HOH HOH A . W 10 HOH 480 845 480 HOH HOH A . W 10 HOH 481 846 481 HOH HOH A . W 10 HOH 482 847 482 HOH HOH A . W 10 HOH 483 848 483 HOH HOH A . W 10 HOH 484 849 484 HOH HOH A . W 10 HOH 485 850 485 HOH HOH A . W 10 HOH 486 851 486 HOH HOH A . W 10 HOH 487 852 487 HOH HOH A . W 10 HOH 488 853 488 HOH HOH A . W 10 HOH 489 854 489 HOH HOH A . W 10 HOH 490 855 490 HOH HOH A . W 10 HOH 491 856 491 HOH HOH A . W 10 HOH 492 857 492 HOH HOH A . W 10 HOH 493 858 493 HOH HOH A . W 10 HOH 494 859 494 HOH HOH A . W 10 HOH 495 860 495 HOH HOH A . W 10 HOH 496 861 496 HOH HOH A . W 10 HOH 497 862 497 HOH HOH A . W 10 HOH 498 863 498 HOH HOH A . W 10 HOH 499 864 499 HOH HOH A . W 10 HOH 500 865 500 HOH HOH A . W 10 HOH 501 866 501 HOH HOH A . W 10 HOH 502 867 502 HOH HOH A . W 10 HOH 503 868 503 HOH HOH A . W 10 HOH 504 869 504 HOH HOH A . W 10 HOH 505 870 505 HOH HOH A . W 10 HOH 506 871 506 HOH HOH A . W 10 HOH 507 872 507 HOH HOH A . W 10 HOH 508 873 508 HOH HOH A . W 10 HOH 509 874 509 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_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,Q,R,S,T,U,V,W # _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 ? B FE . ? A FE 999 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 87.7 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 173.2 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 95.7 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 93.6 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 90.1 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 80.6 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O1 ? C CO3 . ? A CO3 687 ? 1_555 88.7 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O1 ? C CO3 . ? A CO3 687 ? 1_555 156.4 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O1 ? C CO3 . ? A CO3 687 ? 1_555 90.5 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O1 ? C CO3 . ? A CO3 687 ? 1_555 113.4 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O2 ? C CO3 . ? A CO3 687 ? 1_555 90.2 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O2 ? C CO3 . ? A CO3 687 ? 1_555 93.8 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O2 ? C CO3 . ? A CO3 687 ? 1_555 95.4 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O2 ? C CO3 . ? A CO3 687 ? 1_555 174.6 ? 15 O1 ? C CO3 . ? A CO3 687 ? 1_555 FE ? B FE . ? A FE 999 ? 1_555 O2 ? C CO3 . ? A CO3 687 ? 1_555 62.9 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? H ZN . ? A ZN 689 ? 1_555 O ? W HOH . ? A HOH 800 ? 1_555 91.8 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? H ZN . ? A ZN 689 ? 1_555 O ? W HOH . ? A HOH 88 ? 1_555 123.0 ? 18 O ? W HOH . ? A HOH 800 ? 1_555 ZN ? H ZN . ? A ZN 689 ? 1_555 O ? W HOH . ? A HOH 88 ? 1_555 87.2 ? 19 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? G ZN . ? A ZN 688 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 61.0 ? 20 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? G ZN . ? A ZN 688 ? 1_555 O ? W HOH . ? A HOH 785 ? 1_555 99.0 ? 21 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? G ZN . ? A ZN 688 ? 1_555 O ? W HOH . ? A HOH 785 ? 1_555 93.9 ? # 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 2009-08-11 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2018-08-01 4 'Structure model' 1 3 2018-08-15 # _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' 'Data collection' 4 3 'Structure model' 'Database references' 5 3 'Structure model' 'Source and taxonomy' 6 3 'Structure model' 'Structure summary' 7 4 'Structure model' 'Data collection' 8 4 'Structure model' 'Database references' 9 4 'Structure model' 'Source and taxonomy' 10 4 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' citation 2 3 'Structure model' diffrn_source 3 3 'Structure model' entity 4 3 'Structure model' entity_src_gen 5 3 'Structure model' entity_src_nat 6 4 'Structure model' entity 7 4 'Structure model' entity_src_gen 8 4 'Structure model' entity_src_nat 9 4 'Structure model' pdbx_entry_details 10 4 'Structure model' struct_ref_seq_dif # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_citation.title' 2 3 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 3 3 'Structure model' '_entity.src_method' 4 4 'Structure model' '_entity.pdbx_mutation' 5 4 'Structure model' '_entity.src_method' 6 4 'Structure model' '_struct_ref_seq_dif.details' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.4.0077 ? 3 DENZO 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.compound_details ? _pdbx_entry_details.entry_id 3IB0 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'NATURAL MUTATIONS HAVE OCCURRED AT 584 ASN AND 627 LYS.' _pdbx_entry_details.source_details ? # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ZN _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 ZN _pdbx_validate_close_contact.auth_seq_id_1 689 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 799 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.60 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 HIS _pdbx_validate_rmsd_bond.auth_seq_id_1 420 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 HIS _pdbx_validate_rmsd_bond.auth_seq_id_2 420 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.641 _pdbx_validate_rmsd_bond.bond_target_value 1.496 _pdbx_validate_rmsd_bond.bond_deviation 0.145 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.018 _pdbx_validate_rmsd_bond.linker_flag N # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 HIS _pdbx_validate_rmsd_angle.auth_seq_id_1 420 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CA _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 HIS _pdbx_validate_rmsd_angle.auth_seq_id_2 420 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 C _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 HIS _pdbx_validate_rmsd_angle.auth_seq_id_3 420 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 94.20 _pdbx_validate_rmsd_angle.angle_target_value 110.40 _pdbx_validate_rmsd_angle.angle_deviation -16.20 _pdbx_validate_rmsd_angle.angle_standard_deviation 2.00 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 HIS A 420 ? ? -36.91 131.58 2 1 ASP A 462 ? ? 81.35 -4.58 3 1 TRP A 467 ? ? -144.96 -62.30 4 1 ALA A 482 ? ? -83.87 49.02 5 1 SER A 519 ? ? -59.01 -9.01 6 1 VAL A 543 ? ? -143.42 -151.43 7 1 SER A 634 ? ? -163.03 30.99 8 1 LEU A 640 ? ? 74.07 -47.37 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 LEU A 681 ? ? GLU A 682 ? ? -135.46 2 1 GLU A 682 ? ? ALA A 683 ? ? -135.99 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A MAN 6 ? 'WRONG HAND' . 2 1 C1 ? A MAN 7 ? 'WRONG HAND' . 3 1 C1 ? A MAN 11 ? 'WRONG HAND' . 4 1 C1 ? A MAN 12 ? 'WRONG HAND' . 5 1 C1 ? A MAN 13 ? PLANAR . # 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 'FE (III) ION' FE 3 'CARBONATE ION' CO3 4 '2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID' DIF 5 'SULFATE ION' SO4 6 'ZINC ION' ZN 7 N-ACETYL-D-GLUCOSAMINE NAG 8 ALPHA-D-MANNOSE MAN 9 ETHANOL EOH 10 water HOH #