data_5KWB # _entry.id 5KWB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.280 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5KWB WWPDB D_1000220597 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5KWB _pdbx_database_status.recvd_initial_deposition_date 2016-07-17 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Guan, H.' 1 ? 'Wojdyla, J.A.' 2 ? 'Wang, M.' 3 ? 'Cui, S.' 4 ? # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Nat Commun' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2041-1723 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 8 _citation.language ? _citation.page_first 15216 _citation.page_last 15216 _citation.title 'Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1' _citation.year 2017 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/ncomms15216 _citation.pdbx_database_id_PubMed 28534504 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ou, X.' 1 primary 'Guan, H.' 2 primary 'Qin, B.' 3 primary 'Mu, Z.' 4 primary 'Wojdyla, J.A.' 5 primary 'Wang, M.' 6 primary 'Dominguez, S.R.' 7 primary 'Qian, Z.' 8 primary 'Cui, S.' 9 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5KWB _cell.details ? _cell.formula_units_Z ? _cell.length_a 86.556 _cell.length_a_esd ? _cell.length_b 183.800 _cell.length_b_esd ? _cell.length_c 63.342 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 8 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5KWB _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? # 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 man 'Spike glycoprotein' 41425.062 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man SUCROSE 342.296 1 ? ? ? ? 4 non-polymer syn 'MAGNESIUM ION' 24.305 6 ? ? ? ? 5 water nat water 18.015 337 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'S glycoprotein,E2,Peplomer protein' # _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 ;SGFTVKPVATVHRRIPDLPDCDIDKWLNNFNVPSPLNWERKIFSNCNFNLSTLLRLVHTDSFSCNNFDESKIYGSCFKSI VLDKFAIPNSRRSDLQLGSSGFLQSSNYKIDTTSSSCQLYYSLPAINVTINNYNPSSWNRRYGFNNFNLSSHSVVYSRYC FSVNNTFCPCAKPSFASSCKSHKPPSASCPIGTNYRSCESTTVLDHTDWCRCSCLPDPITAYDPRSCSQKKSLVGVGEHC AGFGVDEEKCGVLDGSYNVSCLCSTDAFLGWSYDTCVSNNRCNIFSNFILNGINSGTTCSNDLLQPNTEVFTDVCVDYDL YGITGQGIFKEVSAVYYNSWQNLLYDSNGNIIGFKDFVTNKTYNIFPCYAG ; _entity_poly.pdbx_seq_one_letter_code_can ;SGFTVKPVATVHRRIPDLPDCDIDKWLNNFNVPSPLNWERKIFSNCNFNLSTLLRLVHTDSFSCNNFDESKIYGSCFKSI VLDKFAIPNSRRSDLQLGSSGFLQSSNYKIDTTSSSCQLYYSLPAINVTINNYNPSSWNRRYGFNNFNLSSHSVVYSRYC FSVNNTFCPCAKPSFASSCKSHKPPSASCPIGTNYRSCESTTVLDHTDWCRCSCLPDPITAYDPRSCSQKKSLVGVGEHC AGFGVDEEKCGVLDGSYNVSCLCSTDAFLGWSYDTCVSNNRCNIFSNFILNGINSGTTCSNDLLQPNTEVFTDVCVDYDL YGITGQGIFKEVSAVYYNSWQNLLYDSNGNIIGFKDFVTNKTYNIFPCYAG ; _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 SER n 1 2 GLY n 1 3 PHE n 1 4 THR n 1 5 VAL n 1 6 LYS n 1 7 PRO n 1 8 VAL n 1 9 ALA n 1 10 THR n 1 11 VAL n 1 12 HIS n 1 13 ARG n 1 14 ARG n 1 15 ILE n 1 16 PRO n 1 17 ASP n 1 18 LEU n 1 19 PRO n 1 20 ASP n 1 21 CYS n 1 22 ASP n 1 23 ILE n 1 24 ASP n 1 25 LYS n 1 26 TRP n 1 27 LEU n 1 28 ASN n 1 29 ASN n 1 30 PHE n 1 31 ASN n 1 32 VAL n 1 33 PRO n 1 34 SER n 1 35 PRO n 1 36 LEU n 1 37 ASN n 1 38 TRP n 1 39 GLU n 1 40 ARG n 1 41 LYS n 1 42 ILE n 1 43 PHE n 1 44 SER n 1 45 ASN n 1 46 CYS n 1 47 ASN n 1 48 PHE n 1 49 ASN n 1 50 LEU n 1 51 SER n 1 52 THR n 1 53 LEU n 1 54 LEU n 1 55 ARG n 1 56 LEU n 1 57 VAL n 1 58 HIS n 1 59 THR n 1 60 ASP n 1 61 SER n 1 62 PHE n 1 63 SER n 1 64 CYS n 1 65 ASN n 1 66 ASN n 1 67 PHE n 1 68 ASP n 1 69 GLU n 1 70 SER n 1 71 LYS n 1 72 ILE n 1 73 TYR n 1 74 GLY n 1 75 SER n 1 76 CYS n 1 77 PHE n 1 78 LYS n 1 79 SER n 1 80 ILE n 1 81 VAL n 1 82 LEU n 1 83 ASP n 1 84 LYS n 1 85 PHE n 1 86 ALA n 1 87 ILE n 1 88 PRO n 1 89 ASN n 1 90 SER n 1 91 ARG n 1 92 ARG n 1 93 SER n 1 94 ASP n 1 95 LEU n 1 96 GLN n 1 97 LEU n 1 98 GLY n 1 99 SER n 1 100 SER n 1 101 GLY n 1 102 PHE n 1 103 LEU n 1 104 GLN n 1 105 SER n 1 106 SER n 1 107 ASN n 1 108 TYR n 1 109 LYS n 1 110 ILE n 1 111 ASP n 1 112 THR n 1 113 THR n 1 114 SER n 1 115 SER n 1 116 SER n 1 117 CYS n 1 118 GLN n 1 119 LEU n 1 120 TYR n 1 121 TYR n 1 122 SER n 1 123 LEU n 1 124 PRO n 1 125 ALA n 1 126 ILE n 1 127 ASN n 1 128 VAL n 1 129 THR n 1 130 ILE n 1 131 ASN n 1 132 ASN n 1 133 TYR n 1 134 ASN n 1 135 PRO n 1 136 SER n 1 137 SER n 1 138 TRP n 1 139 ASN n 1 140 ARG n 1 141 ARG n 1 142 TYR n 1 143 GLY n 1 144 PHE n 1 145 ASN n 1 146 ASN n 1 147 PHE n 1 148 ASN n 1 149 LEU n 1 150 SER n 1 151 SER n 1 152 HIS n 1 153 SER n 1 154 VAL n 1 155 VAL n 1 156 TYR n 1 157 SER n 1 158 ARG n 1 159 TYR n 1 160 CYS n 1 161 PHE n 1 162 SER n 1 163 VAL n 1 164 ASN n 1 165 ASN n 1 166 THR n 1 167 PHE n 1 168 CYS n 1 169 PRO n 1 170 CYS n 1 171 ALA n 1 172 LYS n 1 173 PRO n 1 174 SER n 1 175 PHE n 1 176 ALA n 1 177 SER n 1 178 SER n 1 179 CYS n 1 180 LYS n 1 181 SER n 1 182 HIS n 1 183 LYS n 1 184 PRO n 1 185 PRO n 1 186 SER n 1 187 ALA n 1 188 SER n 1 189 CYS n 1 190 PRO n 1 191 ILE n 1 192 GLY n 1 193 THR n 1 194 ASN n 1 195 TYR n 1 196 ARG n 1 197 SER n 1 198 CYS n 1 199 GLU n 1 200 SER n 1 201 THR n 1 202 THR n 1 203 VAL n 1 204 LEU n 1 205 ASP n 1 206 HIS n 1 207 THR n 1 208 ASP n 1 209 TRP n 1 210 CYS n 1 211 ARG n 1 212 CYS n 1 213 SER n 1 214 CYS n 1 215 LEU n 1 216 PRO n 1 217 ASP n 1 218 PRO n 1 219 ILE n 1 220 THR n 1 221 ALA n 1 222 TYR n 1 223 ASP n 1 224 PRO n 1 225 ARG n 1 226 SER n 1 227 CYS n 1 228 SER n 1 229 GLN n 1 230 LYS n 1 231 LYS n 1 232 SER n 1 233 LEU n 1 234 VAL n 1 235 GLY n 1 236 VAL n 1 237 GLY n 1 238 GLU n 1 239 HIS n 1 240 CYS n 1 241 ALA n 1 242 GLY n 1 243 PHE n 1 244 GLY n 1 245 VAL n 1 246 ASP n 1 247 GLU n 1 248 GLU n 1 249 LYS n 1 250 CYS n 1 251 GLY n 1 252 VAL n 1 253 LEU n 1 254 ASP n 1 255 GLY n 1 256 SER n 1 257 TYR n 1 258 ASN n 1 259 VAL n 1 260 SER n 1 261 CYS n 1 262 LEU n 1 263 CYS n 1 264 SER n 1 265 THR n 1 266 ASP n 1 267 ALA n 1 268 PHE n 1 269 LEU n 1 270 GLY n 1 271 TRP n 1 272 SER n 1 273 TYR n 1 274 ASP n 1 275 THR n 1 276 CYS n 1 277 VAL n 1 278 SER n 1 279 ASN n 1 280 ASN n 1 281 ARG n 1 282 CYS n 1 283 ASN n 1 284 ILE n 1 285 PHE n 1 286 SER n 1 287 ASN n 1 288 PHE n 1 289 ILE n 1 290 LEU n 1 291 ASN n 1 292 GLY n 1 293 ILE n 1 294 ASN n 1 295 SER n 1 296 GLY n 1 297 THR n 1 298 THR n 1 299 CYS n 1 300 SER n 1 301 ASN n 1 302 ASP n 1 303 LEU n 1 304 LEU n 1 305 GLN n 1 306 PRO n 1 307 ASN n 1 308 THR n 1 309 GLU n 1 310 VAL n 1 311 PHE n 1 312 THR n 1 313 ASP n 1 314 VAL n 1 315 CYS n 1 316 VAL n 1 317 ASP n 1 318 TYR n 1 319 ASP n 1 320 LEU n 1 321 TYR n 1 322 GLY n 1 323 ILE n 1 324 THR n 1 325 GLY n 1 326 GLN n 1 327 GLY n 1 328 ILE n 1 329 PHE n 1 330 LYS n 1 331 GLU n 1 332 VAL n 1 333 SER n 1 334 ALA n 1 335 VAL n 1 336 TYR n 1 337 TYR n 1 338 ASN n 1 339 SER n 1 340 TRP n 1 341 GLN n 1 342 ASN n 1 343 LEU n 1 344 LEU n 1 345 TYR n 1 346 ASP n 1 347 SER n 1 348 ASN n 1 349 GLY n 1 350 ASN n 1 351 ILE n 1 352 ILE n 1 353 GLY n 1 354 PHE n 1 355 LYS n 1 356 ASP n 1 357 PHE n 1 358 VAL n 1 359 THR n 1 360 ASN n 1 361 LYS n 1 362 THR n 1 363 TYR n 1 364 ASN n 1 365 ILE n 1 366 PHE n 1 367 PRO n 1 368 CYS n 1 369 TYR n 1 370 ALA n 1 371 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 371 _entity_src_gen.gene_src_common_name HCoV-HKU1 _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'S, 3' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'isolate N1' _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Human coronavirus HKU1 (isolate N1)' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 443239 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Trichoplusia ni' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7111 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pTIE1 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code SPIKE_CVHN1 _struct_ref.pdbx_db_accession Q5MQD0 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;SGFTVKPVATVHRRIPDLPDCDIDKWLNNFNVPSPLNWERKIFSNCNFNLSTLLRLVHTDSFSCNNFDESKIYGSCFKSI VLDKFAIPNSRRSDLQLGSSGFLQSSNYKIDTTSSSCQLYYSLPAINVTINNYNPSSWNRRYGFNNFNLSSHSVVYSRYC FSVNNTFCPCAKPSFASSCKSHKPPSASCPIGTNYRSCESTTVLDHTDWCRCSCLPDPITAYDPRSCSQKKSLVGVGEHC AGFGVDEEKCGVLDGSYNVSCLCSTDAFLGWSYDTCVSNNRCNIFSNFILNGINSGTTCSNDLLQPNTEVFTDVCVDYDL YGITGQGIFKEVSAVYYNSWQNLLYDSNGNIIGFKDFVTNKTYNIFPCYAG ; _struct_ref.pdbx_align_begin 307 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5KWB _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 371 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q5MQD0 _struct_ref_seq.db_align_beg 307 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 677 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 307 _struct_ref_seq.pdbx_auth_seq_align_end 677 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305 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 SUC saccharide . SUCROSE ? 'C12 H22 O11' 342.296 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 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5KWB _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.04 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 59.55 _exptl_crystal.description 'THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS.' _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M Tris, 24%PEG4000, 0.2M MgCl2' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-05-22 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97776 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL19U1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97776 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL19U1 _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate 28.331 _reflns.entry_id 5KWB _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.91 _reflns.d_resolution_low 50 _reflns.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.number_all ? _reflns.number_obs 75702 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I -3.0 _reflns.percent_possible_obs 99.6 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.45 _reflns.pdbx_Rmerge_I_obs 0.112 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 9.37 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.91 _reflns_shell.d_res_low 2.02 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.6 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 98.8 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.75 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 3.37 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 33.54 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details 'SF FILE CONTAINS FRIEDEL PAIRS UNDER I/F_MINUS AND I/F_PLUS COLUMNS.' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5KWB _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.91 _refine.ls_d_res_low 49.248 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 75651 _refine.ls_number_reflns_R_free 3804 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.58 _refine.ls_percent_reflns_R_free 5.03 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1767 _refine.ls_R_factor_R_free 0.2006 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1754 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.13 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 5GNB _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details Random _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 22.36 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.21 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2853 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 85 _refine_hist.number_atoms_solvent 337 _refine_hist.number_atoms_total 3275 _refine_hist.d_res_high 1.91 _refine_hist.d_res_low 49.248 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 ? 3101 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.046 ? 4260 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 10.030 ? 1878 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.057 ? 477 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.007 ? 548 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 1.91 1.93 . . 137 2546 95.00 . . . 0.3356 . 0.35 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9324 1.9578 . . 143 2666 100.00 . . . 0.4047 . 0.3259 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9578 1.9847 . . 142 2651 100.00 . . . 0.3350 . 0.2857 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9847 2.0130 . . 142 2681 100.00 . . . 0.2737 . 0.2701 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0130 2.0431 . . 142 2636 100.00 . . . 0.2522 . 0.2513 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0431 2.0750 . . 142 2678 100.00 . . . 0.2313 . 0.2417 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0750 2.1090 . . 144 2698 100.00 . . . 0.2587 . 0.2327 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1090 2.1454 . . 139 2626 100.00 . . . 0.3015 . 0.2163 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1454 2.1844 . . 137 2666 100.00 . . . 0.2821 . 0.2084 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1844 2.2264 . . 141 2681 100.00 . . . 0.2071 . 0.2012 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2264 2.2718 . . 143 2654 100.00 . . . 0.2690 . 0.1938 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2718 2.3212 . . 143 2669 100.00 . . . 0.2345 . 0.1885 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3212 2.3752 . . 142 2657 100.00 . . . 0.1924 . 0.1801 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3752 2.4346 . . 142 2698 100.00 . . . 0.2071 . 0.1913 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4346 2.5005 . . 140 2646 100.00 . . . 0.1958 . 0.1743 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5005 2.5740 . . 142 2663 100.00 . . . 0.2232 . 0.1753 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5740 2.6571 . . 143 2697 100.00 . . . 0.1829 . 0.1679 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6571 2.7521 . . 144 2678 100.00 . . . 0.1875 . 0.1629 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7521 2.8623 . . 140 2622 100.00 . . . 0.2048 . 0.1603 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8623 2.9925 . . 144 2703 100.00 . . . 0.1818 . 0.1644 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9925 3.1503 . . 134 2624 99.00 . . . 0.2053 . 0.1511 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1503 3.3476 . . 142 2682 100.00 . . . 0.1501 . 0.1501 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3476 3.6060 . . 136 2672 100.00 . . . 0.1574 . 0.1384 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6060 3.9687 . . 138 2670 100.00 . . . 0.2061 . 0.1372 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.9687 4.5427 . . 138 2653 100.00 . . . 0.1152 . 0.1252 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.5427 5.7219 . . 140 2667 99.00 . . . 0.1551 . 0.1417 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.7219 49.248 . . 144 2663 100.00 . . . 0.2318 . 0.2040 . . . . . . . . . . # _struct.entry_id 5KWB _struct.title ;Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 1.9 angstrom, molecular replacement) ; _struct.pdbx_descriptor 'Spike glycoprotein' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5KWB _struct_keywords.text 'Coronavirus spike protein, S1-CTD, receptor binding domain, receptor binding motif, virus entry, HKU1, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 5 ? # 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 AA1 ASP A 22 ? ASN A 28 ? ASP A 328 ASN A 334 1 ? 7 HELX_P HELX_P2 AA2 PRO A 35 ? TRP A 38 ? PRO A 341 TRP A 344 5 ? 4 HELX_P HELX_P3 AA3 ASN A 49 ? VAL A 57 ? ASN A 355 VAL A 363 1 ? 9 HELX_P HELX_P4 AA4 ASP A 68 ? ILE A 72 ? ASP A 374 ILE A 378 5 ? 5 HELX_P HELX_P5 AA5 PRO A 88 ? GLN A 96 ? PRO A 394 GLN A 402 5 ? 9 HELX_P HELX_P6 AA6 GLY A 101 ? ASN A 107 ? GLY A 407 ASN A 413 1 ? 7 HELX_P HELX_P7 AA7 ILE A 126 ? VAL A 128 ? ILE A 432 VAL A 434 5 ? 3 HELX_P HELX_P8 AA8 SER A 136 ? TYR A 142 ? SER A 442 TYR A 448 1 ? 7 HELX_P HELX_P9 AA9 LYS A 172 ? SER A 177 ? LYS A 478 SER A 483 1 ? 6 HELX_P HELX_P10 AB1 ASP A 223 ? CYS A 227 ? ASP A 529 CYS A 533 5 ? 5 HELX_P HELX_P11 AB2 ASP A 246 ? CYS A 250 ? ASP A 552 CYS A 556 5 ? 5 HELX_P HELX_P12 AB3 SER A 264 ? PHE A 268 ? SER A 570 PHE A 574 5 ? 5 HELX_P HELX_P13 AB4 SER A 333 ? TYR A 337 ? SER A 639 TYR A 643 5 ? 5 # _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 21 SG ? ? ? 1_555 A CYS 46 SG ? ? A CYS 327 A CYS 352 1_555 ? ? ? ? ? ? ? 2.079 ? disulf2 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 117 SG A ? A CYS 370 A CYS 423 1_555 ? ? ? ? ? ? ? 2.056 ? disulf3 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 299 SG A ? A CYS 382 A CYS 605 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? A CYS 160 SG A ? ? 1_555 A CYS 240 SG ? ? A CYS 466 A CYS 546 1_555 ? ? ? ? ? ? ? 2.064 ? disulf5 disulf ? ? A CYS 168 SG ? ? ? 1_555 A CYS 189 SG ? ? A CYS 474 A CYS 495 1_555 ? ? ? ? ? ? ? 2.022 ? disulf6 disulf ? ? A CYS 170 SG ? ? ? 1_555 A CYS 261 SG ? ? A CYS 476 A CYS 567 1_555 ? ? ? ? ? ? ? 2.026 ? disulf7 disulf ? ? A CYS 179 SG ? ? ? 1_555 A CYS 210 SG ? ? A CYS 485 A CYS 516 1_555 ? ? ? ? ? ? ? 2.029 ? disulf8 disulf ? ? A CYS 198 SG ? ? ? 1_555 A CYS 212 SG ? ? A CYS 504 A CYS 518 1_555 ? ? ? ? ? ? ? 2.040 ? disulf9 disulf ? ? A CYS 214 SG A ? ? 1_555 A CYS 227 SG ? ? A CYS 520 A CYS 533 1_555 ? ? ? ? ? ? ? 2.071 ? disulf10 disulf ? ? A CYS 250 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 556 A CYS 569 1_555 ? ? ? ? ? ? ? 2.067 ? disulf11 disulf ? ? A CYS 276 SG ? ? ? 1_555 A CYS 282 SG B ? A CYS 582 A CYS 588 1_555 ? ? ? ? ? ? ? 2.078 ? disulf12 disulf ? ? A CYS 315 SG ? ? ? 1_555 A CYS 368 SG ? ? A CYS 621 A CYS 674 1_555 ? ? ? ? ? ? ? 2.038 ? metalc1 metalc ? ? A CYS 21 O ? ? ? 1_555 K MG . MG ? ? A CYS 327 A MG 710 1_555 ? ? ? ? ? ? ? 2.738 ? covale1 covale one ? A ASN 49 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 355 A NAG 704 1_555 ? ? ? ? ? ? ? 1.425 ? metalc2 metalc ? ? A ASP 83 OD2 ? ? ? 1_555 L MG . MG ? ? A ASP 389 A MG 711 1_555 ? ? ? ? ? ? ? 2.767 ? covale2 covale one ? A ASN 127 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 433 A NAG 701 1_555 ? ? ? ? ? ? ? 1.447 ? covale3 covale one ? A ASN 148 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 454 A NAG 703 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale one ? A ASN 164 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 470 A NAG 702 1_555 ? ? ? ? ? ? ? 1.449 ? metalc3 metalc ? ? F SUC . O1 ? ? ? 1_555 I MG . MG ? ? A SUC 705 A MG 708 1_555 ? ? ? ? ? ? ? 2.769 ? metalc4 metalc ? ? F SUC . O2 ? ? ? 1_555 I MG . MG ? ? A SUC 705 A MG 708 1_555 ? ? ? ? ? ? ? 2.048 ? metalc5 metalc ? ? F SUC . "O3'" ? ? ? 1_555 I MG . MG ? ? A SUC 705 A MG 708 1_555 ? ? ? ? ? ? ? 2.837 ? metalc6 metalc ? ? J MG . MG ? ? ? 1_555 M HOH . O ? ? A MG 709 A HOH 872 1_555 ? ? ? ? ? ? ? 2.504 ? metalc7 metalc ? ? J MG . MG ? ? ? 1_555 M HOH . O ? ? A MG 709 A HOH 910 1_555 ? ? ? ? ? ? ? 2.769 ? metalc8 metalc ? ? J MG . MG ? ? ? 1_555 M HOH . O ? ? A MG 709 A HOH 911 1_555 ? ? ? ? ? ? ? 2.371 ? metalc9 metalc ? ? J MG . MG ? ? ? 1_555 M HOH . O ? ? A MG 709 A HOH 936 1_555 ? ? ? ? ? ? ? 2.884 ? metalc10 metalc ? ? K MG . MG ? ? ? 1_555 M HOH . O ? ? A MG 710 A HOH 1000 1_555 ? ? ? ? ? ? ? 2.634 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id LEU _struct_mon_prot_cis.label_seq_id 215 _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 LEU _struct_mon_prot_cis.auth_seq_id 521 _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_2 216 _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_2 522 _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 -2.34 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 2 ? AA3 ? 5 ? AA4 ? 4 ? AA5 ? 3 ? AA6 ? 2 ? AA7 ? 2 ? AA8 ? 2 ? # 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 AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA2 1 2 ? parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA3 4 5 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? anti-parallel AA6 1 2 ? anti-parallel AA7 1 2 ? anti-parallel AA8 1 2 ? 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 AA1 1 VAL A 11 ? ARG A 13 ? VAL A 317 ARG A 319 AA1 2 CYS A 315 ? LEU A 320 ? CYS A 621 LEU A 626 AA1 3 ILE A 323 ? VAL A 332 ? ILE A 629 VAL A 638 AA1 4 THR A 362 ? PHE A 366 ? THR A 668 PHE A 672 AA1 5 ILE A 351 ? LYS A 355 ? ILE A 657 LYS A 661 AA1 6 LEU A 343 ? TYR A 345 ? LEU A 649 TYR A 651 AA2 1 ASN A 31 ? PRO A 33 ? ASN A 337 PRO A 339 AA2 2 THR A 129 ? ASN A 131 ? THR A 435 ASN A 437 AA3 1 GLU A 39 ? PHE A 43 ? GLU A 345 PHE A 349 AA3 2 SER A 79 ? ALA A 86 ? SER A 385 ALA A 392 AA3 3 ARG A 281 ? ASN A 291 ? ARG A 587 ASN A 597 AA3 4 SER A 116 ? PRO A 124 ? SER A 422 PRO A 430 AA3 5 HIS A 58 ? ASN A 65 ? HIS A 364 ASN A 371 AA4 1 GLU A 39 ? PHE A 43 ? GLU A 345 PHE A 349 AA4 2 SER A 79 ? ALA A 86 ? SER A 385 ALA A 392 AA4 3 ARG A 281 ? ASN A 291 ? ARG A 587 ASN A 597 AA4 4 VAL A 277 ? SER A 278 ? VAL A 583 SER A 584 AA5 1 CYS A 46 ? PHE A 48 ? CYS A 352 PHE A 354 AA5 2 THR A 298 ? SER A 300 ? THR A 604 SER A 606 AA5 3 CYS A 76 ? PHE A 77 ? CYS A 382 PHE A 383 AA6 1 SER A 153 ? SER A 157 ? SER A 459 SER A 463 AA6 2 TRP A 271 ? THR A 275 ? TRP A 577 THR A 581 AA7 1 PHE A 161 ? SER A 162 ? PHE A 467 SER A 468 AA7 2 LYS A 230 ? LYS A 231 ? LYS A 536 LYS A 537 AA8 1 CYS A 198 ? VAL A 203 ? CYS A 504 VAL A 509 AA8 2 HIS A 206 ? CYS A 212 ? HIS A 512 CYS A 518 # 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 AA1 1 2 N VAL A 11 ? N VAL A 317 O ASP A 319 ? O ASP A 625 AA1 2 3 N TYR A 318 ? N TYR A 624 O GLY A 325 ? O GLY A 631 AA1 3 4 N ILE A 328 ? N ILE A 634 O PHE A 366 ? O PHE A 672 AA1 4 5 O TYR A 363 ? O TYR A 669 N PHE A 354 ? N PHE A 660 AA1 5 6 O ILE A 352 ? O ILE A 658 N LEU A 344 ? N LEU A 650 AA2 1 2 N VAL A 32 ? N VAL A 338 O ASN A 131 ? O ASN A 437 AA3 1 2 N PHE A 43 ? N PHE A 349 O ILE A 80 ? O ILE A 386 AA3 2 3 N PHE A 85 ? N PHE A 391 O PHE A 285 ? O PHE A 591 AA3 3 4 O SER A 286 ? O SER A 592 N LEU A 119 ? N LEU A 425 AA3 4 5 O SER A 116 ? O SER A 422 N ASN A 65 ? N ASN A 371 AA4 1 2 N PHE A 43 ? N PHE A 349 O ILE A 80 ? O ILE A 386 AA4 2 3 N PHE A 85 ? N PHE A 391 O PHE A 285 ? O PHE A 591 AA4 3 4 O ARG A 281 ? O ARG A 587 N SER A 278 ? N SER A 584 AA5 1 2 N PHE A 48 ? N PHE A 354 O CYS A 299 ? O CYS A 605 AA5 2 3 O THR A 298 ? O THR A 604 N PHE A 77 ? N PHE A 383 AA6 1 2 N TYR A 156 ? N TYR A 462 O SER A 272 ? O SER A 578 AA7 1 2 N SER A 162 ? N SER A 468 O LYS A 230 ? O LYS A 536 AA8 1 2 N THR A 201 ? N THR A 507 O TRP A 209 ? O TRP A 515 # 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 A SUC 705 ? 6 'binding site for residue SUC A 705' AC2 Software A MG 706 ? 3 'binding site for residue MG A 706' AC3 Software A MG 707 ? 5 'binding site for residue MG A 707' AC4 Software A MG 708 ? 2 'binding site for residue MG A 708' AC5 Software A MG 709 ? 5 'binding site for residue MG A 709' AC6 Software A MG 710 ? 3 'binding site for residue MG A 710' AC7 Software A MG 711 ? 5 'binding site for residue MG A 711' AC8 Software A NAG 704 ? 3 'binding site for Mono-Saccharide NAG A 704 bound to ASN A 355' AC9 Software A NAG 701 ? 3 'binding site for Mono-Saccharide NAG A 701 bound to ASN A 433' AD1 Software A NAG 703 ? 2 'binding site for Mono-Saccharide NAG A 703 bound to ASN A 454' AD2 Software A NAG 702 ? 6 'binding site for Mono-Saccharide NAG A 702 bound to ASN A 470' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASN A 31 ? ASN A 337 . ? 6_444 ? 2 AC1 6 ASN A 131 ? ASN A 437 . ? 6_444 ? 3 AC1 6 TYR A 133 ? TYR A 439 . ? 6_444 ? 4 AC1 6 MG I . ? MG A 708 . ? 1_555 ? 5 AC1 6 HOH M . ? HOH A 804 . ? 6_444 ? 6 AC1 6 HOH M . ? HOH A 972 . ? 1_555 ? 7 AC2 3 GLN A 96 ? GLN A 402 . ? 3_555 ? 8 AC2 3 LEU A 97 ? LEU A 403 . ? 3_555 ? 9 AC2 3 HOH M . ? HOH A 934 . ? 3_555 ? 10 AC3 5 PHE A 102 ? PHE A 408 . ? 1_555 ? 11 AC3 5 TYR A 156 ? TYR A 462 . ? 1_555 ? 12 AC3 5 ARG A 158 ? ARG A 464 . ? 1_555 ? 13 AC3 5 SER A 181 ? SER A 487 . ? 4_556 ? 14 AC3 5 HIS A 182 ? HIS A 488 . ? 4_556 ? 15 AC4 2 ASN A 364 ? ASN A 670 . ? 1_555 ? 16 AC4 2 SUC F . ? SUC A 705 . ? 1_555 ? 17 AC5 5 SER A 228 ? SER A 534 . ? 1_555 ? 18 AC5 5 HOH M . ? HOH A 872 . ? 1_555 ? 19 AC5 5 HOH M . ? HOH A 910 . ? 1_555 ? 20 AC5 5 HOH M . ? HOH A 911 . ? 1_555 ? 21 AC5 5 HOH M . ? HOH A 936 . ? 1_555 ? 22 AC6 3 CYS A 21 ? CYS A 327 . ? 1_555 ? 23 AC6 3 PHE A 43 ? PHE A 349 . ? 1_555 ? 24 AC6 3 HOH M . ? HOH A 1000 . ? 1_555 ? 25 AC7 5 VAL A 81 ? VAL A 387 . ? 1_555 ? 26 AC7 5 ASP A 83 ? ASP A 389 . ? 1_555 ? 27 AC7 5 TYR A 108 ? TYR A 414 . ? 1_555 ? 28 AC7 5 ASN A 287 ? ASN A 593 . ? 1_555 ? 29 AC7 5 ILE A 289 ? ILE A 595 . ? 1_555 ? 30 AC8 3 ASN A 49 ? ASN A 355 . ? 1_555 ? 31 AC8 3 THR A 52 ? THR A 358 . ? 1_555 ? 32 AC8 3 ASN A 301 ? ASN A 607 . ? 1_555 ? 33 AC9 3 ASN A 127 ? ASN A 433 . ? 1_555 ? 34 AC9 3 HOH M . ? HOH A 811 . ? 1_555 ? 35 AC9 3 HOH M . ? HOH A 888 . ? 1_555 ? 36 AD1 2 ASN A 148 ? ASN A 454 . ? 1_555 ? 37 AD1 2 HOH M . ? HOH A 819 . ? 1_555 ? 38 AD2 6 ASN A 164 ? ASN A 470 . ? 1_555 ? 39 AD2 6 ASN A 165 ? ASN A 471 . ? 1_555 ? 40 AD2 6 THR A 166 ? THR A 472 . ? 1_555 ? 41 AD2 6 HOH M . ? HOH A 802 . ? 1_555 ? 42 AD2 6 HOH M . ? HOH A 824 . ? 1_555 ? 43 AD2 6 HOH M . ? HOH A 895 . ? 1_555 ? # _atom_sites.entry_id 5KWB _atom_sites.fract_transf_matrix[1][1] 0.011553 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.005441 _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] 0.015787 _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 H MG N O S # 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 . VAL A 1 5 ? -0.655 -34.130 -7.680 1.00 82.16 ? 311 VAL A N 1 ATOM 2 C CA . VAL A 1 5 ? -2.003 -34.635 -7.425 1.00 90.71 ? 311 VAL A CA 1 ATOM 3 C C . VAL A 1 5 ? -2.071 -36.133 -7.719 1.00 91.86 ? 311 VAL A C 1 ATOM 4 O O . VAL A 1 5 ? -1.539 -36.600 -8.730 1.00 88.87 ? 311 VAL A O 1 ATOM 5 C CB . VAL A 1 5 ? -3.062 -33.868 -8.262 1.00 80.67 ? 311 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 5 ? -4.445 -34.454 -8.038 1.00 77.40 ? 311 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 5 ? -3.061 -32.381 -7.904 1.00 74.38 ? 311 VAL A CG2 1 ATOM 8 H HA . VAL A 1 5 ? -2.214 -34.506 -6.487 1.00 108.85 ? 311 VAL A HA 1 ATOM 9 H HB . VAL A 1 5 ? -2.847 -33.953 -9.204 1.00 96.80 ? 311 VAL A HB 1 ATOM 10 H HG11 . VAL A 1 5 ? -5.087 -33.959 -8.570 1.00 92.88 ? 311 VAL A HG11 1 ATOM 11 H HG12 . VAL A 1 5 ? -4.440 -35.386 -8.307 1.00 92.88 ? 311 VAL A HG12 1 ATOM 12 H HG13 . VAL A 1 5 ? -4.669 -34.382 -7.097 1.00 92.88 ? 311 VAL A HG13 1 ATOM 13 H HG21 . VAL A 1 5 ? -3.730 -31.927 -8.440 1.00 89.26 ? 311 VAL A HG21 1 ATOM 14 H HG22 . VAL A 1 5 ? -3.269 -32.283 -6.962 1.00 89.26 ? 311 VAL A HG22 1 ATOM 15 H HG23 . VAL A 1 5 ? -2.182 -32.013 -8.089 1.00 89.26 ? 311 VAL A HG23 1 ATOM 16 N N . LYS A 1 6 ? -2.725 -36.876 -6.828 1.00 77.53 ? 312 LYS A N 1 ATOM 17 C CA . LYS A 1 6 ? -2.975 -38.290 -7.070 1.00 77.22 ? 312 LYS A CA 1 ATOM 18 C C . LYS A 1 6 ? -3.749 -38.459 -8.378 1.00 68.60 ? 312 LYS A C 1 ATOM 19 O O . LYS A 1 6 ? -4.800 -37.830 -8.555 1.00 63.99 ? 312 LYS A O 1 ATOM 20 C CB . LYS A 1 6 ? -3.769 -38.902 -5.913 1.00 80.65 ? 312 LYS A CB 1 ATOM 21 C CG . LYS A 1 6 ? -3.058 -38.840 -4.563 1.00 103.52 ? 312 LYS A CG 1 ATOM 22 C CD . LYS A 1 6 ? -3.923 -39.407 -3.423 1.00 113.91 ? 312 LYS A CD 1 ATOM 23 C CE . LYS A 1 6 ? -5.120 -38.502 -3.068 1.00 74.36 ? 312 LYS A CE 1 ATOM 24 N NZ . LYS A 1 6 ? -4.705 -37.118 -2.737 1.00 67.01 ? 312 LYS A NZ 1 ATOM 25 H H . LYS A 1 6 ? -3.031 -36.584 -6.080 1.00 93.04 ? 312 LYS A H 1 ATOM 26 H HA . LYS A 1 6 ? -2.131 -38.761 -7.147 1.00 92.66 ? 312 LYS A HA 1 ATOM 27 H HB2 . LYS A 1 6 ? -4.610 -38.426 -5.826 1.00 96.78 ? 312 LYS A HB2 1 ATOM 28 H HB3 . LYS A 1 6 ? -3.941 -39.836 -6.113 1.00 96.78 ? 312 LYS A HB3 1 ATOM 29 H HG2 . LYS A 1 6 ? -2.241 -39.361 -4.610 1.00 124.23 ? 312 LYS A HG2 1 ATOM 30 H HG3 . LYS A 1 6 ? -2.853 -37.915 -4.354 1.00 124.23 ? 312 LYS A HG3 1 ATOM 31 H HD2 . LYS A 1 6 ? -4.271 -40.272 -3.691 1.00 136.69 ? 312 LYS A HD2 1 ATOM 32 H HD3 . LYS A 1 6 ? -3.375 -39.503 -2.629 1.00 136.69 ? 312 LYS A HD3 1 ATOM 33 H HE2 . LYS A 1 6 ? -5.723 -38.462 -3.827 1.00 89.24 ? 312 LYS A HE2 1 ATOM 34 H HE3 . LYS A 1 6 ? -5.579 -38.871 -2.298 1.00 89.24 ? 312 LYS A HE3 1 ATOM 35 H HZ1 . LYS A 1 6 ? -5.419 -36.626 -2.538 1.00 80.41 ? 312 LYS A HZ1 1 ATOM 36 H HZ2 . LYS A 1 6 ? -4.154 -37.126 -2.038 1.00 80.41 ? 312 LYS A HZ2 1 ATOM 37 H HZ3 . LYS A 1 6 ? -4.285 -36.753 -3.432 1.00 80.41 ? 312 LYS A HZ3 1 ATOM 38 N N . PRO A 1 7 ? -3.282 -39.288 -9.305 1.00 63.69 ? 313 PRO A N 1 ATOM 39 C CA . PRO A 1 7 ? -3.974 -39.412 -10.590 1.00 58.75 ? 313 PRO A CA 1 ATOM 40 C C . PRO A 1 7 ? -5.266 -40.212 -10.468 1.00 50.19 ? 313 PRO A C 1 ATOM 41 O O . PRO A 1 7 ? -5.432 -41.052 -9.579 1.00 44.77 ? 313 PRO A O 1 ATOM 42 C CB . PRO A 1 7 ? -2.946 -40.139 -11.464 1.00 64.05 ? 313 PRO A CB 1 ATOM 43 C CG . PRO A 1 7 ? -2.196 -40.992 -10.496 1.00 57.46 ? 313 PRO A CG 1 ATOM 44 C CD . PRO A 1 7 ? -2.148 -40.224 -9.198 1.00 62.85 ? 313 PRO A CD 1 ATOM 45 H HA . PRO A 1 7 ? -4.163 -38.537 -10.965 1.00 70.51 ? 313 PRO A HA 1 ATOM 46 H HB2 . PRO A 1 7 ? -3.401 -40.683 -12.126 1.00 76.86 ? 313 PRO A HB2 1 ATOM 47 H HB3 . PRO A 1 7 ? -2.358 -39.495 -11.888 1.00 76.86 ? 313 PRO A HB3 1 ATOM 48 H HG2 . PRO A 1 7 ? -2.665 -41.833 -10.375 1.00 68.96 ? 313 PRO A HG2 1 ATOM 49 H HG3 . PRO A 1 7 ? -1.299 -41.149 -10.830 1.00 68.96 ? 313 PRO A HG3 1 ATOM 50 H HD2 . PRO A 1 7 ? -2.276 -40.824 -8.446 1.00 75.42 ? 313 PRO A HD2 1 ATOM 51 H HD3 . PRO A 1 7 ? -1.313 -39.736 -9.125 1.00 75.42 ? 313 PRO A HD3 1 ATOM 52 N N . VAL A 1 8 ? -6.200 -39.927 -11.379 1.00 47.66 ? 314 VAL A N 1 ATOM 53 C CA . VAL A 1 8 ? -7.438 -40.697 -11.417 1.00 50.57 ? 314 VAL A CA 1 ATOM 54 C C . VAL A 1 8 ? -7.112 -42.156 -11.742 1.00 49.12 ? 314 VAL A C 1 ATOM 55 O O . VAL A 1 8 ? -6.158 -42.462 -12.469 1.00 43.21 ? 314 VAL A O 1 ATOM 56 C CB . VAL A 1 8 ? -8.431 -40.111 -12.434 1.00 51.38 ? 314 VAL A CB 1 ATOM 57 C CG1 . VAL A 1 8 ? -9.744 -40.882 -12.404 1.00 52.25 ? 314 VAL A CG1 1 ATOM 58 C CG2 . VAL A 1 8 ? -8.685 -38.623 -12.151 1.00 52.28 ? 314 VAL A CG2 1 ATOM 59 H H . VAL A 1 8 ? -6.142 -39.307 -11.972 1.00 57.20 ? 314 VAL A H 1 ATOM 60 H HA . VAL A 1 8 ? -7.854 -40.669 -10.541 1.00 60.68 ? 314 VAL A HA 1 ATOM 61 H HB . VAL A 1 8 ? -8.056 -40.189 -13.326 1.00 61.66 ? 314 VAL A HB 1 ATOM 62 H HG11 . VAL A 1 8 ? -10.352 -40.494 -13.053 1.00 62.70 ? 314 VAL A HG11 1 ATOM 63 H HG12 . VAL A 1 8 ? -9.569 -41.810 -12.626 1.00 62.70 ? 314 VAL A HG12 1 ATOM 64 H HG13 . VAL A 1 8 ? -10.125 -40.820 -11.514 1.00 62.70 ? 314 VAL A HG13 1 ATOM 65 H HG21 . VAL A 1 8 ? -9.313 -38.280 -12.806 1.00 62.74 ? 314 VAL A HG21 1 ATOM 66 H HG22 . VAL A 1 8 ? -9.053 -38.530 -11.259 1.00 62.74 ? 314 VAL A HG22 1 ATOM 67 H HG23 . VAL A 1 8 ? -7.844 -38.143 -12.215 1.00 62.74 ? 314 VAL A HG23 1 ATOM 68 N N . ALA A 1 9 ? -7.905 -43.066 -11.184 1.00 45.55 ? 315 ALA A N 1 ATOM 69 C CA . ALA A 1 9 ? -7.672 -44.490 -11.389 1.00 43.47 ? 315 ALA A CA 1 ATOM 70 C C . ALA A 1 9 ? -7.899 -44.879 -12.845 1.00 38.18 ? 315 ALA A C 1 ATOM 71 O O . ALA A 1 9 ? -8.776 -44.347 -13.525 1.00 42.61 ? 315 ALA A O 1 ATOM 72 C CB . ALA A 1 9 ? -8.585 -45.319 -10.487 1.00 43.60 ? 315 ALA A CB 1 ATOM 73 H H . ALA A 1 9 ? -8.582 -42.885 -10.684 1.00 54.66 ? 315 ALA A H 1 ATOM 74 H HA . ALA A 1 9 ? -6.753 -44.698 -11.161 1.00 52.16 ? 315 ALA A HA 1 ATOM 75 H HB1 . ALA A 1 9 ? -8.412 -46.261 -10.642 1.00 52.31 ? 315 ALA A HB1 1 ATOM 76 H HB2 . ALA A 1 9 ? -8.401 -45.096 -9.561 1.00 52.31 ? 315 ALA A HB2 1 ATOM 77 H HB3 . ALA A 1 9 ? -9.509 -45.113 -10.699 1.00 52.31 ? 315 ALA A HB3 1 ATOM 78 N N . THR A 1 10 ? -7.099 -45.837 -13.315 1.00 44.76 ? 316 THR A N 1 ATOM 79 C CA . THR A 1 10 ? -7.221 -46.298 -14.695 1.00 43.52 ? 316 THR A CA 1 ATOM 80 C C . THR A 1 10 ? -8.598 -46.892 -14.964 1.00 35.55 ? 316 THR A C 1 ATOM 81 O O . THR A 1 10 ? -9.144 -46.725 -16.056 1.00 41.49 ? 316 THR A O 1 ATOM 82 C CB . THR A 1 10 ? -6.135 -47.327 -14.992 1.00 53.53 ? 316 THR A CB 1 ATOM 83 O OG1 . THR A 1 10 ? -4.852 -46.754 -14.702 1.00 46.37 ? 316 THR A OG1 1 ATOM 84 C CG2 . THR A 1 10 ? -6.200 -47.776 -16.463 1.00 48.17 ? 316 THR A CG2 1 ATOM 85 H H . THR A 1 10 ? -6.485 -46.230 -12.860 1.00 53.71 ? 316 THR A H 1 ATOM 86 H HA . THR A 1 10 ? -7.095 -45.545 -15.293 1.00 52.22 ? 316 THR A HA 1 ATOM 87 H HB . THR A 1 10 ? -6.271 -48.106 -14.431 1.00 64.24 ? 316 THR A HB 1 ATOM 88 H HG1 . THR A 1 10 ? -4.813 -46.534 -13.892 1.00 55.65 ? 316 THR A HG1 1 ATOM 89 H HG21 . THR A 1 10 ? -5.506 -48.429 -16.640 1.00 57.80 ? 316 THR A HG21 1 ATOM 90 H HG22 . THR A 1 10 ? -7.064 -48.175 -16.649 1.00 57.80 ? 316 THR A HG22 1 ATOM 91 H HG23 . THR A 1 10 ? -6.073 -47.013 -17.048 1.00 57.80 ? 316 THR A HG23 1 ATOM 92 N N . VAL A 1 11 ? -9.161 -47.624 -14.004 1.00 36.16 ? 317 VAL A N 1 ATOM 93 C CA . VAL A 1 11 ? -10.543 -48.085 -14.099 1.00 38.05 ? 317 VAL A CA 1 ATOM 94 C C . VAL A 1 11 ? -11.325 -47.440 -12.965 1.00 30.69 ? 317 VAL A C 1 ATOM 95 O O . VAL A 1 11 ? -11.120 -47.779 -11.791 1.00 35.73 ? 317 VAL A O 1 ATOM 96 C CB . VAL A 1 11 ? -10.660 -49.612 -14.045 1.00 37.31 ? 317 VAL A CB 1 ATOM 97 C CG1 . VAL A 1 11 ? -12.123 -50.013 -14.053 1.00 39.49 ? 317 VAL A CG1 1 ATOM 98 C CG2 . VAL A 1 11 ? -9.953 -50.207 -15.219 1.00 40.78 ? 317 VAL A CG2 1 ATOM 99 H H . VAL A 1 11 ? -8.760 -47.869 -13.284 1.00 43.39 ? 317 VAL A H 1 ATOM 100 H HA . VAL A 1 11 ? -10.923 -47.782 -14.938 1.00 45.66 ? 317 VAL A HA 1 ATOM 101 H HB . VAL A 1 11 ? -10.249 -49.945 -13.231 1.00 44.77 ? 317 VAL A HB 1 ATOM 102 H HG11 . VAL A 1 11 ? -12.185 -50.980 -14.019 1.00 47.39 ? 317 VAL A HG11 1 ATOM 103 H HG12 . VAL A 1 11 ? -12.560 -49.625 -13.278 1.00 47.39 ? 317 VAL A HG12 1 ATOM 104 H HG13 . VAL A 1 11 ? -12.536 -49.683 -14.866 1.00 47.39 ? 317 VAL A HG13 1 ATOM 105 H HG21 . VAL A 1 11 ? -10.032 -51.173 -15.178 1.00 48.93 ? 317 VAL A HG21 1 ATOM 106 H HG22 . VAL A 1 11 ? -10.362 -49.876 -16.034 1.00 48.93 ? 317 VAL A HG22 1 ATOM 107 H HG23 . VAL A 1 11 ? -9.019 -49.949 -15.189 1.00 48.93 ? 317 VAL A HG23 1 ATOM 108 N N . HIS A 1 12 ? -12.265 -46.567 -13.318 1.00 30.02 ? 318 HIS A N 1 ATOM 109 C CA . HIS A 1 12 ? -13.024 -45.792 -12.341 1.00 35.02 ? 318 HIS A CA 1 ATOM 110 C C . HIS A 1 12 ? -14.510 -45.890 -12.636 1.00 25.71 ? 318 HIS A C 1 ATOM 111 O O . HIS A 1 12 ? -14.933 -45.689 -13.778 1.00 32.42 ? 318 HIS A O 1 ATOM 112 C CB . HIS A 1 12 ? -12.611 -44.304 -12.352 1.00 31.60 ? 318 HIS A CB 1 ATOM 113 C CG . HIS A 1 12 ? -13.299 -43.490 -11.297 1.00 37.09 ? 318 HIS A CG 1 ATOM 114 N ND1 . HIS A 1 12 ? -14.568 -42.981 -11.461 1.00 34.28 ? 318 HIS A ND1 1 ATOM 115 C CD2 . HIS A 1 12 ? -12.907 -43.126 -10.052 1.00 35.49 ? 318 HIS A CD2 1 ATOM 116 C CE1 . HIS A 1 12 ? -14.922 -42.326 -10.367 1.00 43.62 ? 318 HIS A CE1 1 ATOM 117 N NE2 . HIS A 1 12 ? -13.932 -42.397 -9.497 1.00 29.67 ? 318 HIS A NE2 1 ATOM 118 H H . HIS A 1 12 ? -12.485 -46.403 -14.133 1.00 36.03 ? 318 HIS A H 1 ATOM 119 H HA . HIS A 1 12 ? -12.863 -46.147 -11.453 1.00 42.02 ? 318 HIS A HA 1 ATOM 120 H HB2 . HIS A 1 12 ? -11.655 -44.242 -12.200 1.00 37.92 ? 318 HIS A HB2 1 ATOM 121 H HB3 . HIS A 1 12 ? -12.834 -43.923 -13.215 1.00 37.92 ? 318 HIS A HB3 1 ATOM 122 H HD1 . HIS A 1 12 ? -15.053 -43.071 -12.166 1.00 41.14 ? 318 HIS A HD1 1 ATOM 123 H HD2 . HIS A 1 12 ? -12.092 -43.325 -9.650 1.00 42.59 ? 318 HIS A HD2 1 ATOM 124 H HE1 . HIS A 1 12 ? -15.731 -41.887 -10.235 1.00 52.34 ? 318 HIS A HE1 1 ATOM 125 N N . ARG A 1 13 ? -15.295 -46.166 -11.603 1.00 28.94 ? 319 ARG A N 1 ATOM 126 C CA A ARG A 1 13 ? -16.749 -46.172 -11.696 0.12 31.06 ? 319 ARG A CA 1 ATOM 127 C CA B ARG A 1 13 ? -16.751 -46.164 -11.699 0.88 30.97 ? 319 ARG A CA 1 ATOM 128 C C . ARG A 1 13 ? -17.333 -45.502 -10.461 1.00 31.23 ? 319 ARG A C 1 ATOM 129 O O . ARG A 1 13 ? -16.969 -45.853 -9.334 1.00 28.09 ? 319 ARG A O 1 ATOM 130 C CB A ARG A 1 13 ? -17.285 -47.605 -11.815 0.12 32.92 ? 319 ARG A CB 1 ATOM 131 C CB B ARG A 1 13 ? -17.311 -47.588 -11.826 0.88 33.00 ? 319 ARG A CB 1 ATOM 132 C CG A ARG A 1 13 ? -16.703 -48.396 -12.978 0.12 29.41 ? 319 ARG A CG 1 ATOM 133 C CG B ARG A 1 13 ? -17.034 -48.250 -13.178 0.88 25.35 ? 319 ARG A CG 1 ATOM 134 C CD A ARG A 1 13 ? -17.295 -47.956 -14.300 0.12 35.44 ? 319 ARG A CD 1 ATOM 135 C CD B ARG A 1 13 ? -17.857 -47.643 -14.299 0.88 33.89 ? 319 ARG A CD 1 ATOM 136 N NE A ARG A 1 13 ? -16.622 -48.579 -15.439 0.12 35.77 ? 319 ARG A NE 1 ATOM 137 N NE B ARG A 1 13 ? -17.672 -48.355 -15.575 0.88 37.69 ? 319 ARG A NE 1 ATOM 138 C CZ A ARG A 1 13 ? -17.051 -48.498 -16.694 0.12 40.54 ? 319 ARG A CZ 1 ATOM 139 C CZ B ARG A 1 13 ? -16.670 -48.142 -16.425 0.88 40.35 ? 319 ARG A CZ 1 ATOM 140 N NH1 A ARG A 1 13 ? -18.159 -47.827 -16.974 0.12 43.40 ? 319 ARG A NH1 1 ATOM 141 N NH1 B ARG A 1 13 ? -15.732 -47.243 -16.153 0.88 36.26 ? 319 ARG A NH1 1 ATOM 142 N NH2 A ARG A 1 13 ? -16.378 -49.091 -17.669 0.12 40.20 ? 319 ARG A NH2 1 ATOM 143 N NH2 B ARG A 1 13 ? -16.606 -48.838 -17.560 0.88 39.93 ? 319 ARG A NH2 1 ATOM 144 H H . ARG A 1 13 ? -15.000 -46.359 -10.818 1.00 34.72 ? 319 ARG A H 1 ATOM 145 H HA . ARG A 1 13 ? -17.025 -45.664 -12.479 1.00 37.16 ? 319 ARG A HA 1 ATOM 146 H HB2 A ARG A 1 13 ? -17.075 -48.084 -10.998 0.12 39.51 ? 319 ARG A HB2 1 ATOM 147 H HB2 B ARG A 1 13 ? -16.912 -48.143 -11.138 0.88 39.60 ? 319 ARG A HB2 1 ATOM 148 H HB3 A ARG A 1 13 ? -18.246 -47.568 -11.935 0.12 39.51 ? 319 ARG A HB3 1 ATOM 149 H HB3 B ARG A 1 13 ? -18.273 -47.556 -11.704 0.88 39.60 ? 319 ARG A HB3 1 ATOM 150 H HG2 A ARG A 1 13 ? -15.744 -48.256 -13.012 0.12 35.29 ? 319 ARG A HG2 1 ATOM 151 H HG2 B ARG A 1 13 ? -16.096 -48.139 -13.399 0.88 30.42 ? 319 ARG A HG2 1 ATOM 152 H HG3 A ARG A 1 13 ? -16.901 -49.338 -12.855 0.12 35.29 ? 319 ARG A HG3 1 ATOM 153 H HG3 B ARG A 1 13 ? -17.253 -49.193 -13.120 0.88 30.42 ? 319 ARG A HG3 1 ATOM 154 H HD2 A ARG A 1 13 ? -18.231 -48.207 -14.329 0.12 42.53 ? 319 ARG A HD2 1 ATOM 155 H HD2 B ARG A 1 13 ? -18.797 -47.686 -14.063 0.88 40.67 ? 319 ARG A HD2 1 ATOM 156 H HD3 A ARG A 1 13 ? -17.204 -46.994 -14.385 0.12 42.53 ? 319 ARG A HD3 1 ATOM 157 H HD3 B ARG A 1 13 ? -17.587 -46.720 -14.428 0.88 40.67 ? 319 ARG A HD3 1 ATOM 158 H HE A ARG A 1 13 ? -15.881 -48.990 -15.293 0.12 42.93 ? 319 ARG A HE 1 ATOM 159 H HE B ARG A 1 13 ? -18.254 -48.952 -15.786 0.88 45.23 ? 319 ARG A HE 1 ATOM 160 H HH11 A ARG A 1 13 ? -18.599 -47.440 -16.345 0.12 52.08 ? 319 ARG A HH11 1 ATOM 161 H HH11 B ARG A 1 13 ? -15.770 -46.789 -15.423 0.88 43.51 ? 319 ARG A HH11 1 ATOM 162 H HH12 A ARG A 1 13 ? -18.437 -47.777 -17.787 0.12 52.08 ? 319 ARG A HH12 1 ATOM 163 H HH12 B ARG A 1 13 ? -15.087 -47.113 -16.707 0.88 43.51 ? 319 ARG A HH12 1 ATOM 164 H HH21 A ARG A 1 13 ? -15.660 -49.529 -17.491 0.12 48.24 ? 319 ARG A HH21 1 ATOM 165 H HH21 B ARG A 1 13 ? -17.209 -49.424 -17.740 0.88 47.92 ? 319 ARG A HH21 1 ATOM 166 H HH22 A ARG A 1 13 ? -16.661 -49.039 -18.480 0.12 48.24 ? 319 ARG A HH22 1 ATOM 167 H HH22 B ARG A 1 13 ? -15.957 -48.706 -18.109 0.88 47.92 ? 319 ARG A HH22 1 ATOM 168 N N . ARG A 1 14 ? -18.241 -44.561 -10.681 1.00 31.04 ? 320 ARG A N 1 ATOM 169 C CA . ARG A 1 14 ? -18.947 -43.875 -9.614 1.00 33.40 ? 320 ARG A CA 1 ATOM 170 C C . ARG A 1 14 ? -20.130 -44.688 -9.129 1.00 34.85 ? 320 ARG A C 1 ATOM 171 O O . ARG A 1 14 ? -20.668 -45.537 -9.837 1.00 39.35 ? 320 ARG A O 1 ATOM 172 C CB . ARG A 1 14 ? -19.465 -42.529 -10.100 1.00 27.90 ? 320 ARG A CB 1 ATOM 173 C CG . ARG A 1 14 ? -18.372 -41.569 -10.470 1.00 35.20 ? 320 ARG A CG 1 ATOM 174 C CD . ARG A 1 14 ? -18.970 -40.249 -10.882 1.00 40.65 ? 320 ARG A CD 1 ATOM 175 N NE . ARG A 1 14 ? -17.951 -39.276 -11.231 1.00 36.43 ? 320 ARG A NE 1 ATOM 176 C CZ . ARG A 1 14 ? -18.223 -38.009 -11.521 1.00 35.64 ? 320 ARG A CZ 1 ATOM 177 N NH1 . ARG A 1 14 ? -19.485 -37.583 -11.520 1.00 35.16 ? 320 ARG A NH1 1 ATOM 178 N NH2 . ARG A 1 14 ? -17.239 -37.177 -11.822 1.00 39.97 ? 320 ARG A NH2 1 ATOM 179 H H . ARG A 1 14 ? -18.471 -44.296 -11.466 1.00 37.25 ? 320 ARG A H 1 ATOM 180 H HA . ARG A 1 14 ? -18.345 -43.725 -8.868 1.00 40.08 ? 320 ARG A HA 1 ATOM 181 H HB2 . ARG A 1 14 ? -20.016 -42.670 -10.886 1.00 33.48 ? 320 ARG A HB2 1 ATOM 182 H HB3 . ARG A 1 14 ? -19.993 -42.122 -9.395 1.00 33.48 ? 320 ARG A HB3 1 ATOM 183 H HG2 . ARG A 1 14 ? -17.795 -41.422 -9.704 1.00 42.24 ? 320 ARG A HG2 1 ATOM 184 H HG3 . ARG A 1 14 ? -17.864 -41.925 -11.216 1.00 42.24 ? 320 ARG A HG3 1 ATOM 185 H HD2 . ARG A 1 14 ? -19.536 -40.385 -11.657 1.00 48.78 ? 320 ARG A HD2 1 ATOM 186 H HD3 . ARG A 1 14 ? -19.490 -39.892 -10.146 1.00 48.78 ? 320 ARG A HD3 1 ATOM 187 H HE . ARG A 1 14 ? -17.157 -39.565 -11.394 1.00 43.71 ? 320 ARG A HE 1 ATOM 188 H HH11 . ARG A 1 14 ? -20.122 -38.126 -11.323 1.00 42.19 ? 320 ARG A HH11 1 ATOM 189 H HH12 . ARG A 1 14 ? -19.663 -36.763 -11.711 1.00 42.19 ? 320 ARG A HH12 1 ATOM 190 H HH21 . ARG A 1 14 ? -16.426 -37.457 -11.825 1.00 47.96 ? 320 ARG A HH21 1 ATOM 191 H HH22 . ARG A 1 14 ? -17.413 -36.358 -12.017 1.00 47.96 ? 320 ARG A HH22 1 ATOM 192 N N . ILE A 1 15 ? -20.550 -44.394 -7.914 1.00 31.25 ? 321 ILE A N 1 ATOM 193 C CA . ILE A 1 15 ? -21.785 -44.976 -7.382 1.00 32.88 ? 321 ILE A CA 1 ATOM 194 C C . ILE A 1 15 ? -22.965 -44.302 -8.068 1.00 43.25 ? 321 ILE A C 1 ATOM 195 O O . ILE A 1 15 ? -23.048 -43.059 -8.066 1.00 42.00 ? 321 ILE A O 1 ATOM 196 C CB . ILE A 1 15 ? -21.850 -44.802 -5.873 1.00 33.55 ? 321 ILE A CB 1 ATOM 197 C CG1 . ILE A 1 15 ? -20.664 -45.506 -5.220 1.00 37.21 ? 321 ILE A CG1 1 ATOM 198 C CG2 . ILE A 1 15 ? -23.174 -45.337 -5.329 1.00 40.93 ? 321 ILE A CG2 1 ATOM 199 C CD1 . ILE A 1 15 ? -20.571 -45.297 -3.725 1.00 30.61 ? 321 ILE A CD1 1 ATOM 200 H H . ILE A 1 15 ? -20.146 -43.862 -7.372 1.00 37.51 ? 321 ILE A H 1 ATOM 201 H HA . ILE A 1 15 ? -21.810 -45.924 -7.585 1.00 39.45 ? 321 ILE A HA 1 ATOM 202 H HB . ILE A 1 15 ? -21.795 -43.855 -5.671 1.00 40.26 ? 321 ILE A HB 1 ATOM 203 H HG12 . ILE A 1 15 ? -20.739 -46.459 -5.381 1.00 44.65 ? 321 ILE A HG12 1 ATOM 204 H HG13 . ILE A 1 15 ? -19.845 -45.170 -5.617 1.00 44.65 ? 321 ILE A HG13 1 ATOM 205 H HG21 . ILE A 1 15 ? -23.191 -45.215 -4.367 1.00 49.12 ? 321 ILE A HG21 1 ATOM 206 H HG22 . ILE A 1 15 ? -23.904 -44.847 -5.738 1.00 49.12 ? 321 ILE A HG22 1 ATOM 207 H HG23 . ILE A 1 15 ? -23.246 -46.280 -5.545 1.00 49.12 ? 321 ILE A HG23 1 ATOM 208 H HD11 . ILE A 1 15 ? -19.796 -45.773 -3.388 1.00 36.73 ? 321 ILE A HD11 1 ATOM 209 H HD12 . ILE A 1 15 ? -20.482 -44.348 -3.544 1.00 36.73 ? 321 ILE A HD12 1 ATOM 210 H HD13 . ILE A 1 15 ? -21.377 -45.639 -3.308 1.00 36.73 ? 321 ILE A HD13 1 ATOM 211 N N . PRO A 1 16 ? -23.902 -45.051 -8.649 1.00 49.53 ? 322 PRO A N 1 ATOM 212 C CA . PRO A 1 16 ? -24.783 -44.444 -9.656 1.00 52.80 ? 322 PRO A CA 1 ATOM 213 C C . PRO A 1 16 ? -25.901 -43.564 -9.113 1.00 48.54 ? 322 PRO A C 1 ATOM 214 O O . PRO A 1 16 ? -26.233 -42.578 -9.773 1.00 60.56 ? 322 PRO A O 1 ATOM 215 C CB . PRO A 1 16 ? -25.358 -45.661 -10.398 1.00 45.10 ? 322 PRO A CB 1 ATOM 216 C CG . PRO A 1 16 ? -24.570 -46.851 -9.907 1.00 50.06 ? 322 PRO A CG 1 ATOM 217 C CD . PRO A 1 16 ? -24.127 -46.505 -8.545 1.00 44.00 ? 322 PRO A CD 1 ATOM 218 H HA . PRO A 1 16 ? -24.254 -43.922 -10.280 1.00 63.35 ? 322 PRO A HA 1 ATOM 219 H HB2 . PRO A 1 16 ? -26.298 -45.761 -10.179 1.00 54.12 ? 322 PRO A HB2 1 ATOM 220 H HB3 . PRO A 1 16 ? -25.241 -45.545 -11.353 1.00 54.12 ? 322 PRO A HB3 1 ATOM 221 H HG2 . PRO A 1 16 ? -25.141 -47.635 -9.892 1.00 60.07 ? 322 PRO A HG2 1 ATOM 222 H HG3 . PRO A 1 16 ? -23.806 -46.996 -10.487 1.00 60.07 ? 322 PRO A HG3 1 ATOM 223 H HD2 . PRO A 1 16 ? -24.826 -46.697 -7.900 1.00 52.80 ? 322 PRO A HD2 1 ATOM 224 H HD3 . PRO A 1 16 ? -23.301 -46.964 -8.327 1.00 52.80 ? 322 PRO A HD3 1 ATOM 225 N N . ASP A 1 17 ? -26.506 -43.878 -7.962 1.00 42.28 ? 323 ASP A N 1 ATOM 226 C CA . ASP A 1 17 ? -27.686 -43.105 -7.562 1.00 52.68 ? 323 ASP A CA 1 ATOM 227 C C . ASP A 1 17 ? -27.499 -42.341 -6.254 1.00 44.73 ? 323 ASP A C 1 ATOM 228 O O . ASP A 1 17 ? -28.331 -42.429 -5.344 1.00 42.88 ? 323 ASP A O 1 ATOM 229 C CB . ASP A 1 17 ? -28.907 -44.017 -7.453 1.00 49.77 ? 323 ASP A CB 1 ATOM 230 C CG . ASP A 1 17 ? -29.665 -44.130 -8.763 1.00 68.99 ? 323 ASP A CG 1 ATOM 231 O OD1 . ASP A 1 17 ? -29.812 -43.101 -9.460 1.00 76.25 ? 323 ASP A OD1 1 ATOM 232 O OD2 . ASP A 1 17 ? -30.110 -45.250 -9.098 1.00 74.34 ? 323 ASP A OD2 1 ATOM 233 H H . ASP A 1 17 ? -26.267 -44.502 -7.420 1.00 50.74 ? 323 ASP A H 1 ATOM 234 H HA . ASP A 1 17 ? -27.873 -42.452 -8.254 1.00 63.22 ? 323 ASP A HA 1 ATOM 235 H HB2 . ASP A 1 17 ? -28.617 -44.905 -7.195 1.00 59.73 ? 323 ASP A HB2 1 ATOM 236 H HB3 . ASP A 1 17 ? -29.513 -43.657 -6.786 1.00 59.73 ? 323 ASP A HB3 1 ATOM 237 N N . LEU A 1 18 ? -26.446 -41.560 -6.166 1.00 43.01 ? 324 LEU A N 1 ATOM 238 C CA . LEU A 1 18 ? -26.255 -40.783 -4.955 1.00 39.00 ? 324 LEU A CA 1 ATOM 239 C C . LEU A 1 18 ? -27.096 -39.514 -5.011 1.00 30.06 ? 324 LEU A C 1 ATOM 240 O O . LEU A 1 18 ? -27.381 -38.995 -6.092 1.00 32.56 ? 324 LEU A O 1 ATOM 241 C CB . LEU A 1 18 ? -24.791 -40.421 -4.790 1.00 32.26 ? 324 LEU A CB 1 ATOM 242 C CG . LEU A 1 18 ? -23.869 -41.595 -4.514 1.00 32.04 ? 324 LEU A CG 1 ATOM 243 C CD1 . LEU A 1 18 ? -22.437 -41.093 -4.514 1.00 36.03 ? 324 LEU A CD1 1 ATOM 244 C CD2 . LEU A 1 18 ? -24.220 -42.316 -3.212 1.00 31.86 ? 324 LEU A CD2 1 ATOM 245 H H . LEU A 1 18 ? -25.842 -41.460 -6.770 1.00 51.61 ? 324 LEU A H 1 ATOM 246 H HA . LEU A 1 18 ? -26.533 -41.304 -4.186 1.00 46.80 ? 324 LEU A HA 1 ATOM 247 H HB2 . LEU A 1 18 ? -24.484 -39.995 -5.606 1.00 38.71 ? 324 LEU A HB2 1 ATOM 248 H HB3 . LEU A 1 18 ? -24.707 -39.802 -4.048 1.00 38.71 ? 324 LEU A HB3 1 ATOM 249 H HG . LEU A 1 18 ? -23.957 -42.235 -5.237 1.00 38.45 ? 324 LEU A HG 1 ATOM 250 H HD11 . LEU A 1 18 ? -21.841 -41.838 -4.338 1.00 43.23 ? 324 LEU A HD11 1 ATOM 251 H HD12 . LEU A 1 18 ? -22.238 -40.708 -5.382 1.00 43.23 ? 324 LEU A HD12 1 ATOM 252 H HD13 . LEU A 1 18 ? -22.338 -40.420 -3.823 1.00 43.23 ? 324 LEU A HD13 1 ATOM 253 H HD21 . LEU A 1 18 ? -23.603 -43.054 -3.084 1.00 38.24 ? 324 LEU A HD21 1 ATOM 254 H HD22 . LEU A 1 18 ? -24.145 -41.690 -2.475 1.00 38.24 ? 324 LEU A HD22 1 ATOM 255 H HD23 . LEU A 1 18 ? -25.129 -42.650 -3.271 1.00 38.24 ? 324 LEU A HD23 1 ATOM 256 N N . PRO A 1 19 ? -27.509 -38.992 -3.864 1.00 31.07 ? 325 PRO A N 1 ATOM 257 C CA . PRO A 1 19 ? -28.275 -37.749 -3.870 1.00 28.55 ? 325 PRO A CA 1 ATOM 258 C C . PRO A 1 19 ? -27.376 -36.566 -4.194 1.00 31.46 ? 325 PRO A C 1 ATOM 259 O O . PRO A 1 19 ? -26.144 -36.648 -4.152 1.00 30.88 ? 325 PRO A O 1 ATOM 260 C CB . PRO A 1 19 ? -28.820 -37.670 -2.444 1.00 33.13 ? 325 PRO A CB 1 ATOM 261 C CG . PRO A 1 19 ? -27.782 -38.293 -1.637 1.00 32.32 ? 325 PRO A CG 1 ATOM 262 C CD . PRO A 1 19 ? -27.231 -39.438 -2.496 1.00 28.55 ? 325 PRO A CD 1 ATOM 263 H HA . PRO A 1 19 ? -29.008 -37.795 -4.504 1.00 34.26 ? 325 PRO A HA 1 ATOM 264 H HB2 . PRO A 1 19 ? -28.947 -36.742 -2.189 1.00 39.75 ? 325 PRO A HB2 1 ATOM 265 H HB3 . PRO A 1 19 ? -29.652 -38.164 -2.380 1.00 39.75 ? 325 PRO A HB3 1 ATOM 266 H HG2 . PRO A 1 19 ? -27.087 -37.646 -1.443 1.00 38.78 ? 325 PRO A HG2 1 ATOM 267 H HG3 . PRO A 1 19 ? -28.169 -38.637 -0.816 1.00 38.78 ? 325 PRO A HG3 1 ATOM 268 H HD2 . PRO A 1 19 ? -26.276 -39.535 -2.359 1.00 34.26 ? 325 PRO A HD2 1 ATOM 269 H HD3 . PRO A 1 19 ? -27.705 -40.263 -2.306 1.00 34.26 ? 325 PRO A HD3 1 ATOM 270 N N . ASP A 1 20 ? -28.023 -35.457 -4.542 1.00 38.01 ? 326 ASP A N 1 ATOM 271 C CA . ASP A 1 20 ? -27.335 -34.184 -4.707 1.00 36.22 ? 326 ASP A CA 1 ATOM 272 C C . ASP A 1 20 ? -26.832 -33.676 -3.358 1.00 31.49 ? 326 ASP A C 1 ATOM 273 O O . ASP A 1 20 ? -27.497 -33.843 -2.334 1.00 35.28 ? 326 ASP A O 1 ATOM 274 C CB . ASP A 1 20 ? -28.285 -33.151 -5.312 1.00 37.73 ? 326 ASP A CB 1 ATOM 275 C CG . ASP A 1 20 ? -28.736 -33.503 -6.735 1.00 43.30 ? 326 ASP A CG 1 ATOM 276 O OD1 . ASP A 1 20 ? -28.007 -34.209 -7.462 1.00 47.44 ? 326 ASP A OD1 1 ATOM 277 O OD2 . ASP A 1 20 ? -29.829 -33.055 -7.136 1.00 44.55 ? 326 ASP A OD2 1 ATOM 278 H H . ASP A 1 20 ? -28.869 -35.418 -4.689 1.00 45.61 ? 326 ASP A H 1 ATOM 279 H HA . ASP A 1 20 ? -26.576 -34.296 -5.301 1.00 43.47 ? 326 ASP A HA 1 ATOM 280 H HB2 . ASP A 1 20 ? -29.076 -33.087 -4.755 1.00 45.28 ? 326 ASP A HB2 1 ATOM 281 H HB3 . ASP A 1 20 ? -27.835 -32.292 -5.346 1.00 45.28 ? 326 ASP A HB3 1 ATOM 282 N N . CYS A 1 21 ? -25.660 -33.025 -3.369 1.00 33.20 ? 327 CYS A N 1 ATOM 283 C CA . CYS A 1 21 ? -25.087 -32.492 -2.134 1.00 32.71 ? 327 CYS A CA 1 ATOM 284 C C . CYS A 1 21 ? -25.900 -31.327 -1.592 1.00 28.68 ? 327 CYS A C 1 ATOM 285 O O . CYS A 1 21 ? -25.942 -31.122 -0.375 1.00 32.03 ? 327 CYS A O 1 ATOM 286 C CB . CYS A 1 21 ? -23.645 -32.042 -2.352 1.00 32.75 ? 327 CYS A CB 1 ATOM 287 S SG . CYS A 1 21 ? -22.445 -33.309 -2.816 1.00 36.27 ? 327 CYS A SG 1 ATOM 288 H H . CYS A 1 21 ? -25.186 -32.881 -4.072 1.00 39.84 ? 327 CYS A H 1 ATOM 289 H HA . CYS A 1 21 ? -25.084 -33.192 -1.462 1.00 39.25 ? 327 CYS A HA 1 ATOM 290 H HB2 . CYS A 1 21 ? -23.641 -31.375 -3.057 1.00 39.30 ? 327 CYS A HB2 1 ATOM 291 H HB3 . CYS A 1 21 ? -23.328 -31.638 -1.529 1.00 39.30 ? 327 CYS A HB3 1 ATOM 292 N N . ASP A 1 22 ? -26.541 -30.558 -2.465 1.00 27.21 ? 328 ASP A N 1 ATOM 293 C CA . ASP A 1 22 ? -27.326 -29.387 -2.056 1.00 37.72 ? 328 ASP A CA 1 ATOM 294 C C . ASP A 1 22 ? -26.471 -28.368 -1.293 1.00 30.82 ? 328 ASP A C 1 ATOM 295 O O . ASP A 1 22 ? -26.880 -27.818 -0.268 1.00 34.01 ? 328 ASP A O 1 ATOM 296 C CB . ASP A 1 22 ? -28.542 -29.809 -1.229 1.00 34.41 ? 328 ASP A CB 1 ATOM 297 C CG . ASP A 1 22 ? -29.661 -30.373 -2.093 1.00 42.48 ? 328 ASP A CG 1 ATOM 298 O OD1 . ASP A 1 22 ? -29.690 -30.051 -3.300 1.00 42.25 ? 328 ASP A OD1 1 ATOM 299 O OD2 . ASP A 1 22 ? -30.503 -31.135 -1.568 1.00 47.12 ? 328 ASP A OD2 1 ATOM 300 H H . ASP A 1 22 ? -26.540 -30.692 -3.315 1.00 32.65 ? 328 ASP A H 1 ATOM 301 H HA . ASP A 1 22 ? -27.657 -28.947 -2.854 1.00 45.26 ? 328 ASP A HA 1 ATOM 302 H HB2 . ASP A 1 22 ? -28.275 -30.494 -0.597 1.00 41.30 ? 328 ASP A HB2 1 ATOM 303 H HB3 . ASP A 1 22 ? -28.888 -29.036 -0.755 1.00 41.30 ? 328 ASP A HB3 1 ATOM 304 N N . ILE A 1 23 ? -25.272 -28.099 -1.803 1.00 25.20 ? 329 ILE A N 1 ATOM 305 C CA . ILE A 1 23 ? -24.406 -27.115 -1.164 1.00 28.23 ? 329 ILE A CA 1 ATOM 306 C C . ILE A 1 23 ? -25.051 -25.733 -1.198 1.00 31.56 ? 329 ILE A C 1 ATOM 307 O O . ILE A 1 23 ? -24.965 -24.963 -0.225 1.00 26.52 ? 329 ILE A O 1 ATOM 308 C CB . ILE A 1 23 ? -23.019 -27.129 -1.829 1.00 29.07 ? 329 ILE A CB 1 ATOM 309 C CG1 . ILE A 1 23 ? -22.308 -28.438 -1.481 1.00 26.15 ? 329 ILE A CG1 1 ATOM 310 C CG2 . ILE A 1 23 ? -22.170 -25.954 -1.357 1.00 23.39 ? 329 ILE A CG2 1 ATOM 311 C CD1 . ILE A 1 23 ? -20.999 -28.692 -2.226 1.00 29.20 ? 329 ILE A CD1 1 ATOM 312 H H . ILE A 1 23 ? -24.941 -28.467 -2.507 1.00 30.24 ? 329 ILE A H 1 ATOM 313 H HA . ILE A 1 23 ? -24.288 -27.362 -0.233 1.00 33.88 ? 329 ILE A HA 1 ATOM 314 H HB . ILE A 1 23 ? -23.128 -27.074 -2.791 1.00 34.88 ? 329 ILE A HB 1 ATOM 315 H HG12 . ILE A 1 23 ? -22.106 -28.435 -0.532 1.00 31.38 ? 329 ILE A HG12 1 ATOM 316 H HG13 . ILE A 1 23 ? -22.905 -29.175 -1.682 1.00 31.38 ? 329 ILE A HG13 1 ATOM 317 H HG21 . ILE A 1 23 ? -21.305 -25.994 -1.794 1.00 28.07 ? 329 ILE A HG21 1 ATOM 318 H HG22 . ILE A 1 23 ? -22.620 -25.126 -1.587 1.00 28.07 ? 329 ILE A HG22 1 ATOM 319 H HG23 . ILE A 1 23 ? -22.057 -26.013 -0.395 1.00 28.07 ? 329 ILE A HG23 1 ATOM 320 H HD11 . ILE A 1 23 ? -20.630 -29.541 -1.936 1.00 35.04 ? 329 ILE A HD11 1 ATOM 321 H HD12 . ILE A 1 23 ? -21.179 -28.717 -3.179 1.00 35.04 ? 329 ILE A HD12 1 ATOM 322 H HD13 . ILE A 1 23 ? -20.377 -27.975 -2.026 1.00 35.04 ? 329 ILE A HD13 1 ATOM 323 N N . ASP A 1 24 ? -25.724 -25.398 -2.304 1.00 23.28 ? 330 ASP A N 1 ATOM 324 C CA . ASP A 1 24 ? -26.315 -24.067 -2.445 1.00 27.81 ? 330 ASP A CA 1 ATOM 325 C C . ASP A 1 24 ? -27.407 -23.825 -1.407 1.00 28.62 ? 330 ASP A C 1 ATOM 326 O O . ASP A 1 24 ? -27.574 -22.692 -0.921 1.00 26.90 ? 330 ASP A O 1 ATOM 327 C CB . ASP A 1 24 ? -26.871 -23.893 -3.863 1.00 28.74 ? 330 ASP A CB 1 ATOM 328 C CG . ASP A 1 24 ? -28.013 -24.846 -4.155 1.00 36.33 ? 330 ASP A CG 1 ATOM 329 O OD1 . ASP A 1 24 ? -27.766 -26.066 -4.170 1.00 35.51 ? 330 ASP A OD1 1 ATOM 330 O OD2 . ASP A 1 24 ? -29.159 -24.386 -4.333 1.00 41.35 ? 330 ASP A OD2 1 ATOM 331 H H . ASP A 1 24 ? -25.850 -25.918 -2.978 1.00 27.93 ? 330 ASP A H 1 ATOM 332 H HA . ASP A 1 24 ? -25.623 -23.400 -2.312 1.00 33.37 ? 330 ASP A HA 1 ATOM 333 H HB2 . ASP A 1 24 ? -27.201 -22.987 -3.966 1.00 34.49 ? 330 ASP A HB2 1 ATOM 334 H HB3 . ASP A 1 24 ? -26.164 -24.065 -4.505 1.00 34.49 ? 330 ASP A HB3 1 ATOM 335 N N . LYS A 1 25 ? -28.130 -24.879 -1.021 1.00 26.78 ? 331 LYS A N 1 ATOM 336 C CA . LYS A 1 25 ? -29.203 -24.719 -0.061 1.00 23.88 ? 331 LYS A CA 1 ATOM 337 C C . LYS A 1 25 ? -28.641 -24.346 1.305 1.00 26.06 ? 331 LYS A C 1 ATOM 338 O O . LYS A 1 25 ? -29.231 -23.533 2.020 1.00 31.80 ? 331 LYS A O 1 ATOM 339 C CB . LYS A 1 25 ? -30.043 -25.993 0.031 1.00 33.26 ? 331 LYS A CB 1 ATOM 340 C CG . LYS A 1 25 ? -30.858 -26.327 -1.240 1.00 47.21 ? 331 LYS A CG 1 ATOM 341 C CD . LYS A 1 25 ? -31.451 -25.058 -1.925 1.00 74.43 ? 331 LYS A CD 1 ATOM 342 C CE . LYS A 1 25 ? -32.301 -24.169 -0.977 1.00 76.06 ? 331 LYS A CE 1 ATOM 343 N NZ . LYS A 1 25 ? -32.340 -22.712 -1.368 1.00 52.35 ? 331 LYS A NZ 1 ATOM 344 H H . LYS A 1 25 ? -28.015 -25.685 -1.299 1.00 32.13 ? 331 LYS A H 1 ATOM 345 H HA . LYS A 1 25 ? -29.783 -23.998 -0.354 1.00 28.65 ? 331 LYS A HA 1 ATOM 346 H HB2 . LYS A 1 25 ? -29.450 -26.741 0.204 1.00 39.92 ? 331 LYS A HB2 1 ATOM 347 H HB3 . LYS A 1 25 ? -30.670 -25.897 0.764 1.00 39.92 ? 331 LYS A HB3 1 ATOM 348 H HG2 . LYS A 1 25 ? -30.279 -26.770 -1.879 1.00 56.65 ? 331 LYS A HG2 1 ATOM 349 H HG3 . LYS A 1 25 ? -31.594 -26.910 -0.999 1.00 56.65 ? 331 LYS A HG3 1 ATOM 350 H HD2 . LYS A 1 25 ? -30.722 -24.516 -2.264 1.00 89.31 ? 331 LYS A HD2 1 ATOM 351 H HD3 . LYS A 1 25 ? -32.021 -25.337 -2.659 1.00 89.31 ? 331 LYS A HD3 1 ATOM 352 H HE2 . LYS A 1 25 ? -33.213 -24.499 -0.976 1.00 91.27 ? 331 LYS A HE2 1 ATOM 353 H HE3 . LYS A 1 25 ? -31.931 -24.225 -0.083 1.00 91.27 ? 331 LYS A HE3 1 ATOM 354 H HZ1 . LYS A 1 25 ? -32.840 -22.256 -0.790 1.00 62.82 ? 331 LYS A HZ1 1 ATOM 355 H HZ2 . LYS A 1 25 ? -31.516 -22.375 -1.367 1.00 62.82 ? 331 LYS A HZ2 1 ATOM 356 H HZ3 . LYS A 1 25 ? -32.688 -22.625 -2.183 1.00 62.82 ? 331 LYS A HZ3 1 ATOM 357 N N . TRP A 1 26 ? -27.482 -24.904 1.661 1.00 24.02 ? 332 TRP A N 1 ATOM 358 C CA . TRP A 1 26 ? -26.837 -24.549 2.917 1.00 24.72 ? 332 TRP A CA 1 ATOM 359 C C . TRP A 1 26 ? -26.229 -23.154 2.859 1.00 23.97 ? 332 TRP A C 1 ATOM 360 O O . TRP A 1 26 ? -26.381 -22.358 3.787 1.00 23.66 ? 332 TRP A O 1 ATOM 361 C CB . TRP A 1 26 ? -25.758 -25.568 3.251 1.00 26.88 ? 332 TRP A CB 1 ATOM 362 C CG . TRP A 1 26 ? -25.189 -25.372 4.610 1.00 23.81 ? 332 TRP A CG 1 ATOM 363 C CD1 . TRP A 1 26 ? -25.816 -25.596 5.785 1.00 30.39 ? 332 TRP A CD1 1 ATOM 364 C CD2 . TRP A 1 26 ? -23.861 -24.942 4.936 1.00 21.35 ? 332 TRP A CD2 1 ATOM 365 N NE1 . TRP A 1 26 ? -24.972 -25.327 6.838 1.00 30.68 ? 332 TRP A NE1 1 ATOM 366 C CE2 . TRP A 1 26 ? -23.765 -24.919 6.338 1.00 32.63 ? 332 TRP A CE2 1 ATOM 367 C CE3 . TRP A 1 26 ? -22.755 -24.566 4.178 1.00 26.00 ? 332 TRP A CE3 1 ATOM 368 C CZ2 . TRP A 1 26 ? -22.606 -24.545 6.999 1.00 26.78 ? 332 TRP A CZ2 1 ATOM 369 C CZ3 . TRP A 1 26 ? -21.614 -24.184 4.829 1.00 29.25 ? 332 TRP A CZ3 1 ATOM 370 C CH2 . TRP A 1 26 ? -21.538 -24.194 6.232 1.00 24.12 ? 332 TRP A CH2 1 ATOM 371 H H . TRP A 1 26 ? -27.055 -25.486 1.194 1.00 28.83 ? 332 TRP A H 1 ATOM 372 H HA . TRP A 1 26 ? -27.497 -24.562 3.629 1.00 29.67 ? 332 TRP A HA 1 ATOM 373 H HB2 . TRP A 1 26 ? -26.140 -26.458 3.211 1.00 32.26 ? 332 TRP A HB2 1 ATOM 374 H HB3 . TRP A 1 26 ? -25.036 -25.486 2.608 1.00 32.26 ? 332 TRP A HB3 1 ATOM 375 H HD1 . TRP A 1 26 ? -26.694 -25.892 5.870 1.00 36.47 ? 332 TRP A HD1 1 ATOM 376 H HE1 . TRP A 1 26 ? -25.171 -25.402 7.672 1.00 36.81 ? 332 TRP A HE1 1 ATOM 377 H HE3 . TRP A 1 26 ? -22.793 -24.570 3.249 1.00 31.20 ? 332 TRP A HE3 1 ATOM 378 H HZ2 . TRP A 1 26 ? -22.559 -24.536 7.927 1.00 32.13 ? 332 TRP A HZ2 1 ATOM 379 H HZ3 . TRP A 1 26 ? -20.866 -23.940 4.334 1.00 35.10 ? 332 TRP A HZ3 1 ATOM 380 H HH2 . TRP A 1 26 ? -20.750 -23.924 6.646 1.00 28.95 ? 332 TRP A HH2 1 ATOM 381 N N . LEU A 1 27 ? -25.496 -22.847 1.794 1.00 22.87 ? 333 LEU A N 1 ATOM 382 C CA . LEU A 1 27 ? -24.928 -21.503 1.677 1.00 24.39 ? 333 LEU A CA 1 ATOM 383 C C . LEU A 1 27 ? -25.996 -20.414 1.688 1.00 23.81 ? 333 LEU A C 1 ATOM 384 O O . LEU A 1 27 ? -25.747 -19.306 2.186 1.00 21.56 ? 333 LEU A O 1 ATOM 385 C CB . LEU A 1 27 ? -24.083 -21.405 0.401 1.00 25.78 ? 333 LEU A CB 1 ATOM 386 C CG . LEU A 1 27 ? -22.762 -22.185 0.431 1.00 22.91 ? 333 LEU A CG 1 ATOM 387 C CD1 . LEU A 1 27 ? -22.041 -22.038 -0.908 1.00 26.88 ? 333 LEU A CD1 1 ATOM 388 C CD2 . LEU A 1 27 ? -21.869 -21.720 1.623 1.00 26.35 ? 333 LEU A CD2 1 ATOM 389 H H . LEU A 1 27 ? -25.315 -23.378 1.143 1.00 27.45 ? 333 LEU A H 1 ATOM 390 H HA . LEU A 1 27 ? -24.340 -21.347 2.433 1.00 29.26 ? 333 LEU A HA 1 ATOM 391 H HB2 . LEU A 1 27 ? -24.606 -21.746 -0.342 1.00 30.93 ? 333 LEU A HB2 1 ATOM 392 H HB3 . LEU A 1 27 ? -23.868 -20.473 0.245 1.00 30.93 ? 333 LEU A HB3 1 ATOM 393 H HG . LEU A 1 27 ? -22.958 -23.126 0.559 1.00 27.49 ? 333 LEU A HG 1 ATOM 394 H HD11 . LEU A 1 27 ? -21.209 -22.535 -0.875 1.00 32.25 ? 333 LEU A HD11 1 ATOM 395 H HD12 . LEU A 1 27 ? -22.608 -22.389 -1.612 1.00 32.25 ? 333 LEU A HD12 1 ATOM 396 H HD13 . LEU A 1 27 ? -21.859 -21.098 -1.067 1.00 32.25 ? 333 LEU A HD13 1 ATOM 397 H HD21 . LEU A 1 27 ? -21.043 -22.229 1.616 1.00 31.61 ? 333 LEU A HD21 1 ATOM 398 H HD22 . LEU A 1 27 ? -21.676 -20.774 1.522 1.00 31.61 ? 333 LEU A HD22 1 ATOM 399 H HD23 . LEU A 1 27 ? -22.346 -21.874 2.453 1.00 31.61 ? 333 LEU A HD23 1 ATOM 400 N N . ASN A 1 28 ? -27.178 -20.682 1.150 1.00 23.71 ? 334 ASN A N 1 ATOM 401 C CA . ASN A 1 28 ? -28.197 -19.649 1.012 1.00 26.16 ? 334 ASN A CA 1 ATOM 402 C C . ASN A 1 28 ? -29.174 -19.613 2.176 1.00 25.04 ? 334 ASN A C 1 ATOM 403 O O . ASN A 1 28 ? -30.149 -18.857 2.121 1.00 30.59 ? 334 ASN A O 1 ATOM 404 C CB . ASN A 1 28 ? -28.974 -19.820 -0.297 1.00 23.85 ? 334 ASN A CB 1 ATOM 405 C CG . ASN A 1 28 ? -28.217 -19.293 -1.498 1.00 26.72 ? 334 ASN A CG 1 ATOM 406 O OD1 . ASN A 1 28 ? -27.328 -18.462 -1.376 1.00 28.48 ? 334 ASN A OD1 1 ATOM 407 N ND2 . ASN A 1 28 ? -28.552 -19.801 -2.659 1.00 28.80 ? 334 ASN A ND2 1 ATOM 408 H H . ASN A 1 28 ? -27.416 -21.454 0.856 1.00 28.45 ? 334 ASN A H 1 ATOM 409 H HA . ASN A 1 28 ? -27.755 -18.786 0.978 1.00 31.39 ? 334 ASN A HA 1 ATOM 410 H HB2 . ASN A 1 28 ? -29.147 -20.764 -0.441 1.00 28.62 ? 334 ASN A HB2 1 ATOM 411 H HB3 . ASN A 1 28 ? -29.812 -19.335 -0.233 1.00 28.62 ? 334 ASN A HB3 1 ATOM 412 H HD21 . ASN A 1 28 ? -28.155 -19.538 -3.375 1.00 34.56 ? 334 ASN A HD21 1 ATOM 413 H HD22 . ASN A 1 28 ? -29.170 -20.397 -2.706 1.00 34.56 ? 334 ASN A HD22 1 ATOM 414 N N . ASN A 1 29 ? -28.925 -20.385 3.225 1.00 24.51 ? 335 ASN A N 1 ATOM 415 C CA . ASN A 1 29 ? -29.737 -20.306 4.432 1.00 26.05 ? 335 ASN A CA 1 ATOM 416 C C . ASN A 1 29 ? -29.700 -18.894 5.000 1.00 27.22 ? 335 ASN A C 1 ATOM 417 O O . ASN A 1 29 ? -28.630 -18.304 5.162 1.00 23.53 ? 335 ASN A O 1 ATOM 418 C CB . ASN A 1 29 ? -29.232 -21.297 5.467 1.00 26.08 ? 335 ASN A CB 1 ATOM 419 C CG . ASN A 1 29 ? -30.183 -21.459 6.636 1.00 29.79 ? 335 ASN A CG 1 ATOM 420 O OD1 . ASN A 1 29 ? -30.383 -20.547 7.425 1.00 31.38 ? 335 ASN A OD1 1 ATOM 421 N ND2 . ASN A 1 29 ? -30.760 -22.646 6.759 1.00 39.42 ? 335 ASN A ND2 1 ATOM 422 H H . ASN A 1 29 ? -28.291 -20.965 3.264 1.00 29.42 ? 335 ASN A H 1 ATOM 423 H HA . ASN A 1 29 ? -30.657 -20.527 4.218 1.00 31.26 ? 335 ASN A HA 1 ATOM 424 H HB2 . ASN A 1 29 ? -29.122 -22.165 5.047 1.00 31.30 ? 335 ASN A HB2 1 ATOM 425 H HB3 . ASN A 1 29 ? -28.381 -20.986 5.814 1.00 31.30 ? 335 ASN A HB3 1 ATOM 426 H HD21 . ASN A 1 29 ? -31.309 -22.793 7.405 1.00 47.30 ? 335 ASN A HD21 1 ATOM 427 H HD22 . ASN A 1 29 ? -30.586 -23.270 6.194 1.00 47.30 ? 335 ASN A HD22 1 ATOM 428 N N . PHE A 1 30 ? -30.883 -18.343 5.255 1.00 30.56 ? 336 PHE A N 1 ATOM 429 C CA . PHE A 1 30 ? -31.032 -16.955 5.676 1.00 27.28 ? 336 PHE A CA 1 ATOM 430 C C . PHE A 1 30 ? -30.600 -16.700 7.120 1.00 24.74 ? 336 PHE A C 1 ATOM 431 O O . PHE A 1 30 ? -30.467 -15.528 7.509 1.00 24.73 ? 336 PHE A O 1 ATOM 432 C CB . PHE A 1 30 ? -32.487 -16.547 5.513 1.00 31.35 ? 336 PHE A CB 1 ATOM 433 C CG . PHE A 1 30 ? -32.931 -16.405 4.089 1.00 37.35 ? 336 PHE A CG 1 ATOM 434 C CD1 . PHE A 1 30 ? -32.099 -15.820 3.130 1.00 44.12 ? 336 PHE A CD1 1 ATOM 435 C CD2 . PHE A 1 30 ? -34.200 -16.814 3.707 1.00 36.72 ? 336 PHE A CD2 1 ATOM 436 C CE1 . PHE A 1 30 ? -32.521 -15.664 1.818 1.00 41.26 ? 336 PHE A CE1 1 ATOM 437 C CE2 . PHE A 1 30 ? -34.627 -16.658 2.392 1.00 46.94 ? 336 PHE A CE2 1 ATOM 438 C CZ . PHE A 1 30 ? -33.789 -16.083 1.450 1.00 35.66 ? 336 PHE A CZ 1 ATOM 439 H H . PHE A 1 30 ? -31.630 -18.763 5.188 1.00 36.67 ? 336 PHE A H 1 ATOM 440 H HA . PHE A 1 30 ? -30.496 -16.390 5.098 1.00 32.73 ? 336 PHE A HA 1 ATOM 441 H HB2 . PHE A 1 30 ? -33.047 -17.220 5.931 1.00 37.62 ? 336 PHE A HB2 1 ATOM 442 H HB3 . PHE A 1 30 ? -32.621 -15.692 5.951 1.00 37.62 ? 336 PHE A HB3 1 ATOM 443 H HD1 . PHE A 1 30 ? -31.248 -15.533 3.374 1.00 52.94 ? 336 PHE A HD1 1 ATOM 444 H HD2 . PHE A 1 30 ? -34.770 -17.197 4.335 1.00 44.06 ? 336 PHE A HD2 1 ATOM 445 H HE1 . PHE A 1 30 ? -31.956 -15.280 1.187 1.00 49.52 ? 336 PHE A HE1 1 ATOM 446 H HE2 . PHE A 1 30 ? -35.477 -16.942 2.144 1.00 56.33 ? 336 PHE A HE2 1 ATOM 447 H HZ . PHE A 1 30 ? -34.075 -15.987 0.570 1.00 42.79 ? 336 PHE A HZ 1 ATOM 448 N N . ASN A 1 31 ? -30.399 -17.740 7.923 1.00 26.53 ? 337 ASN A N 1 ATOM 449 C CA . ASN A 1 31 ? -29.824 -17.576 9.261 1.00 30.74 ? 337 ASN A CA 1 ATOM 450 C C . ASN A 1 31 ? -28.314 -17.686 9.132 1.00 31.53 ? 337 ASN A C 1 ATOM 451 O O . ASN A 1 31 ? -27.755 -18.783 9.123 1.00 28.30 ? 337 ASN A O 1 ATOM 452 C CB . ASN A 1 31 ? -30.368 -18.613 10.240 1.00 38.68 ? 337 ASN A CB 1 ATOM 453 C CG . ASN A 1 31 ? -31.802 -18.356 10.613 1.00 43.23 ? 337 ASN A CG 1 ATOM 454 O OD1 . ASN A 1 31 ? -32.671 -19.188 10.362 1.00 58.79 ? 337 ASN A OD1 1 ATOM 455 N ND2 . ASN A 1 31 ? -32.070 -17.196 11.193 1.00 56.86 ? 337 ASN A ND2 1 ATOM 456 H HA . ASN A 1 31 ? -30.040 -16.692 9.599 1.00 36.89 ? 337 ASN A HA 1 ATOM 457 H HB2 . ASN A 1 31 ? -30.315 -19.491 9.833 1.00 46.42 ? 337 ASN A HB2 1 ATOM 458 H HB3 . ASN A 1 31 ? -29.837 -18.590 11.052 1.00 46.42 ? 337 ASN A HB3 1 ATOM 459 H HD21 . ASN A 1 31 ? -32.877 -17.006 11.423 1.00 68.23 ? 337 ASN A HD21 1 ATOM 460 H HD22 . ASN A 1 31 ? -31.437 -16.632 11.339 1.00 68.23 ? 337 ASN A HD22 1 ATOM 461 N N . VAL A 1 32 ? -27.641 -16.550 9.040 1.00 26.04 ? 338 VAL A N 1 ATOM 462 C CA . VAL A 1 32 ? -26.227 -16.510 8.678 1.00 24.75 ? 338 VAL A CA 1 ATOM 463 C C . VAL A 1 32 ? -25.405 -16.267 9.942 1.00 19.02 ? 338 VAL A C 1 ATOM 464 O O . VAL A 1 32 ? -25.664 -15.285 10.646 1.00 23.34 ? 338 VAL A O 1 ATOM 465 C CB . VAL A 1 32 ? -25.956 -15.427 7.621 1.00 19.86 ? 338 VAL A CB 1 ATOM 466 C CG1 . VAL A 1 32 ? -24.511 -15.450 7.220 1.00 21.80 ? 338 VAL A CG1 1 ATOM 467 C CG2 . VAL A 1 32 ? -26.856 -15.663 6.434 1.00 23.25 ? 338 VAL A CG2 1 ATOM 468 H H . VAL A 1 32 ? -27.983 -15.775 9.184 1.00 31.25 ? 338 VAL A H 1 ATOM 469 H HA . VAL A 1 32 ? -25.967 -17.368 8.307 1.00 29.70 ? 338 VAL A HA 1 ATOM 470 H HB . VAL A 1 32 ? -26.158 -14.554 7.992 1.00 23.84 ? 338 VAL A HB 1 ATOM 471 H HG11 . VAL A 1 32 ? -24.357 -14.762 6.553 1.00 26.16 ? 338 VAL A HG11 1 ATOM 472 H HG12 . VAL A 1 32 ? -23.964 -15.281 8.002 1.00 26.16 ? 338 VAL A HG12 1 ATOM 473 H HG13 . VAL A 1 32 ? -24.301 -16.322 6.850 1.00 26.16 ? 338 VAL A HG13 1 ATOM 474 H HG21 . VAL A 1 32 ? -26.686 -14.980 5.767 1.00 27.89 ? 338 VAL A HG21 1 ATOM 475 H HG22 . VAL A 1 32 ? -26.668 -16.540 6.065 1.00 27.89 ? 338 VAL A HG22 1 ATOM 476 H HG23 . VAL A 1 32 ? -27.780 -15.618 6.726 1.00 27.89 ? 338 VAL A HG23 1 ATOM 477 N N . PRO A 1 33 ? -24.398 -17.084 10.232 1.00 19.61 ? 339 PRO A N 1 ATOM 478 C CA . PRO A 1 33 ? -23.622 -16.882 11.456 1.00 25.89 ? 339 PRO A CA 1 ATOM 479 C C . PRO A 1 33 ? -22.552 -15.825 11.262 1.00 21.89 ? 339 PRO A C 1 ATOM 480 O O . PRO A 1 33 ? -22.079 -15.568 10.153 1.00 21.16 ? 339 PRO A O 1 ATOM 481 C CB . PRO A 1 33 ? -22.976 -18.249 11.701 1.00 21.79 ? 339 PRO A CB 1 ATOM 482 C CG . PRO A 1 33 ? -22.755 -18.763 10.278 1.00 23.92 ? 339 PRO A CG 1 ATOM 483 C CD . PRO A 1 33 ? -23.956 -18.291 9.513 1.00 21.58 ? 339 PRO A CD 1 ATOM 484 H HA . PRO A 1 33 ? -24.197 -16.645 12.200 1.00 31.07 ? 339 PRO A HA 1 ATOM 485 H HB2 . PRO A 1 33 ? -22.134 -18.142 12.171 1.00 26.15 ? 339 PRO A HB2 1 ATOM 486 H HB3 . PRO A 1 33 ? -23.584 -18.824 12.192 1.00 26.15 ? 339 PRO A HB3 1 ATOM 487 H HG2 . PRO A 1 33 ? -21.942 -18.379 9.913 1.00 28.71 ? 339 PRO A HG2 1 ATOM 488 H HG3 . PRO A 1 33 ? -22.707 -19.731 10.282 1.00 28.71 ? 339 PRO A HG3 1 ATOM 489 H HD2 . PRO A 1 33 ? -23.707 -18.067 8.602 1.00 25.89 ? 339 PRO A HD2 1 ATOM 490 H HD3 . PRO A 1 33 ? -24.652 -18.967 9.532 1.00 25.89 ? 339 PRO A HD3 1 ATOM 491 N N . SER A 1 34 ? -22.163 -15.233 12.383 1.00 21.15 ? 340 SER A N 1 ATOM 492 C CA . SER A 1 34 ? -21.021 -14.359 12.413 1.00 17.79 ? 340 SER A CA 1 ATOM 493 C C . SER A 1 34 ? -19.732 -15.174 12.439 1.00 17.34 ? 340 SER A C 1 ATOM 494 O O . SER A 1 34 ? -19.731 -16.375 12.759 1.00 19.08 ? 340 SER A O 1 ATOM 495 C CB . SER A 1 34 ? -21.092 -13.444 13.640 1.00 22.18 ? 340 SER A CB 1 ATOM 496 O OG . SER A 1 34 ? -20.275 -13.961 14.665 1.00 24.02 ? 340 SER A OG 1 ATOM 497 H H . SER A 1 34 ? -22.553 -15.328 13.143 1.00 25.38 ? 340 SER A H 1 ATOM 498 H HA . SER A 1 34 ? -21.017 -13.805 11.617 1.00 21.35 ? 340 SER A HA 1 ATOM 499 H HB2 . SER A 1 34 ? -20.778 -12.559 13.398 1.00 26.62 ? 340 SER A HB2 1 ATOM 500 H HB3 . SER A 1 34 ? -22.009 -13.401 13.954 1.00 26.62 ? 340 SER A HB3 1 ATOM 501 H HG . SER A 1 34 ? -20.536 -14.730 14.880 1.00 28.83 ? 340 SER A HG 1 ATOM 502 N N . PRO A 1 35 ? -18.606 -14.535 12.139 1.00 17.72 ? 341 PRO A N 1 ATOM 503 C CA . PRO A 1 35 ? -17.327 -15.264 12.194 1.00 17.82 ? 341 PRO A CA 1 ATOM 504 C C . PRO A 1 35 ? -17.013 -15.806 13.574 1.00 18.80 ? 341 PRO A C 1 ATOM 505 O O . PRO A 1 35 ? -16.324 -16.831 13.687 1.00 17.60 ? 341 PRO A O 1 ATOM 506 C CB . PRO A 1 35 ? -16.297 -14.212 11.756 1.00 22.75 ? 341 PRO A CB 1 ATOM 507 C CG . PRO A 1 35 ? -17.000 -12.933 11.695 1.00 24.48 ? 341 PRO A CG 1 ATOM 508 C CD . PRO A 1 35 ? -18.453 -13.163 11.621 1.00 18.27 ? 341 PRO A CD 1 ATOM 509 H HA . PRO A 1 35 ? -17.330 -15.994 11.556 1.00 21.38 ? 341 PRO A HA 1 ATOM 510 H HB2 . PRO A 1 35 ? -15.579 -14.172 12.408 1.00 27.30 ? 341 PRO A HB2 1 ATOM 511 H HB3 . PRO A 1 35 ? -15.947 -14.447 10.882 1.00 27.30 ? 341 PRO A HB3 1 ATOM 512 H HG2 . PRO A 1 35 ? -16.789 -12.423 12.492 1.00 29.38 ? 341 PRO A HG2 1 ATOM 513 H HG3 . PRO A 1 35 ? -16.703 -12.451 10.908 1.00 29.38 ? 341 PRO A HG3 1 ATOM 514 H HD2 . PRO A 1 35 ? -18.925 -12.532 12.188 1.00 21.92 ? 341 PRO A HD2 1 ATOM 515 H HD3 . PRO A 1 35 ? -18.757 -13.112 10.701 1.00 21.92 ? 341 PRO A HD3 1 ATOM 516 N N . LEU A 1 36 ? -17.510 -15.142 14.619 1.00 17.44 ? 342 LEU A N 1 ATOM 517 C CA . LEU A 1 36 ? -17.319 -15.621 15.991 1.00 17.69 ? 342 LEU A CA 1 ATOM 518 C C . LEU A 1 36 ? -17.817 -17.049 16.141 1.00 18.51 ? 342 LEU A C 1 ATOM 519 O O . LEU A 1 36 ? -17.155 -17.890 16.771 1.00 19.17 ? 342 LEU A O 1 ATOM 520 C CB . LEU A 1 36 ? -18.055 -14.708 16.962 1.00 14.85 ? 342 LEU A CB 1 ATOM 521 C CG . LEU A 1 36 ? -17.822 -15.014 18.458 1.00 20.78 ? 342 LEU A CG 1 ATOM 522 C CD1 . LEU A 1 36 ? -16.372 -14.790 18.853 1.00 23.92 ? 342 LEU A CD1 1 ATOM 523 C CD2 . LEU A 1 36 ? -18.754 -14.177 19.316 1.00 19.13 ? 342 LEU A CD2 1 ATOM 524 H H . LEU A 1 36 ? -17.960 -14.412 14.562 1.00 20.93 ? 342 LEU A H 1 ATOM 525 H HA . LEU A 1 36 ? -16.374 -15.602 16.210 1.00 21.22 ? 342 LEU A HA 1 ATOM 526 H HB2 . LEU A 1 36 ? -17.769 -13.794 16.803 1.00 17.82 ? 342 LEU A HB2 1 ATOM 527 H HB3 . LEU A 1 36 ? -19.007 -14.783 16.793 1.00 17.82 ? 342 LEU A HB3 1 ATOM 528 H HG . LEU A 1 36 ? -18.031 -15.947 18.621 1.00 24.94 ? 342 LEU A HG 1 ATOM 529 H HD11 . LEU A 1 36 ? -16.267 -14.992 19.796 1.00 28.70 ? 342 LEU A HD11 1 ATOM 530 H HD12 . LEU A 1 36 ? -15.807 -15.375 18.324 1.00 28.70 ? 342 LEU A HD12 1 ATOM 531 H HD13 . LEU A 1 36 ? -16.139 -13.864 18.685 1.00 28.70 ? 342 LEU A HD13 1 ATOM 532 H HD21 . LEU A 1 36 ? -18.593 -14.383 20.250 1.00 22.95 ? 342 LEU A HD21 1 ATOM 533 H HD22 . LEU A 1 36 ? -18.578 -13.238 19.149 1.00 22.95 ? 342 LEU A HD22 1 ATOM 534 H HD23 . LEU A 1 36 ? -19.672 -14.388 19.084 1.00 22.95 ? 342 LEU A HD23 1 ATOM 535 N N . ASN A 1 37 ? -18.986 -17.334 15.569 1.00 20.12 ? 343 ASN A N 1 ATOM 536 C CA . ASN A 1 37 ? -19.587 -18.662 15.601 1.00 18.65 ? 343 ASN A CA 1 ATOM 537 C C . ASN A 1 37 ? -19.670 -19.278 14.216 1.00 17.58 ? 343 ASN A C 1 ATOM 538 O O . ASN A 1 37 ? -20.734 -19.745 13.805 1.00 17.60 ? 343 ASN A O 1 ATOM 539 C CB . ASN A 1 37 ? -20.983 -18.620 16.237 1.00 21.16 ? 343 ASN A CB 1 ATOM 540 C CG . ASN A 1 37 ? -21.895 -17.536 15.673 1.00 23.06 ? 343 ASN A CG 1 ATOM 541 O OD1 . ASN A 1 37 ? -21.654 -16.336 15.860 1.00 21.93 ? 343 ASN A OD1 1 ATOM 542 N ND2 . ASN A 1 37 ? -23.013 -17.962 15.080 1.00 20.30 ? 343 ASN A ND2 1 ATOM 543 H H . ASN A 1 37 ? -19.461 -16.756 15.145 1.00 24.14 ? 343 ASN A H 1 ATOM 544 H HA . ASN A 1 37 ? -19.032 -19.240 16.147 1.00 22.38 ? 343 ASN A HA 1 ATOM 545 H HB2 . ASN A 1 37 ? -21.416 -19.475 16.092 1.00 25.39 ? 343 ASN A HB2 1 ATOM 546 H HB3 . ASN A 1 37 ? -20.886 -18.458 17.188 1.00 25.39 ? 343 ASN A HB3 1 ATOM 547 H HD21 . ASN A 1 37 ? -23.565 -17.395 14.744 1.00 24.36 ? 343 ASN A HD21 1 ATOM 548 H HD22 . ASN A 1 37 ? -23.181 -18.804 15.034 1.00 24.36 ? 343 ASN A HD22 1 ATOM 549 N N . TRP A 1 38 ? -18.561 -19.277 13.482 1.00 19.53 ? 344 TRP A N 1 ATOM 550 C CA . TRP A 1 38 ? -18.587 -19.834 12.132 1.00 21.52 ? 344 TRP A CA 1 ATOM 551 C C . TRP A 1 38 ? -19.129 -21.259 12.128 1.00 23.38 ? 344 TRP A C 1 ATOM 552 O O . TRP A 1 38 ? -18.842 -22.062 13.027 1.00 16.97 ? 344 TRP A O 1 ATOM 553 C CB . TRP A 1 38 ? -17.196 -19.808 11.512 1.00 14.45 ? 344 TRP A CB 1 ATOM 554 C CG . TRP A 1 38 ? -16.088 -20.471 12.249 1.00 14.21 ? 344 TRP A CG 1 ATOM 555 C CD1 . TRP A 1 38 ? -15.264 -19.904 13.149 1.00 16.51 ? 344 TRP A CD1 1 ATOM 556 C CD2 . TRP A 1 38 ? -15.617 -21.811 12.068 1.00 22.77 ? 344 TRP A CD2 1 ATOM 557 N NE1 . TRP A 1 38 ? -14.316 -20.782 13.564 1.00 19.17 ? 344 TRP A NE1 1 ATOM 558 C CE2 . TRP A 1 38 ? -14.508 -21.973 12.907 1.00 17.96 ? 344 TRP A CE2 1 ATOM 559 C CE3 . TRP A 1 38 ? -16.026 -22.890 11.268 1.00 20.51 ? 344 TRP A CE3 1 ATOM 560 C CZ2 . TRP A 1 38 ? -13.810 -23.176 12.989 1.00 20.79 ? 344 TRP A CZ2 1 ATOM 561 C CZ3 . TRP A 1 38 ? -15.343 -24.064 11.350 1.00 21.16 ? 344 TRP A CZ3 1 ATOM 562 C CH2 . TRP A 1 38 ? -14.248 -24.209 12.202 1.00 19.36 ? 344 TRP A CH2 1 ATOM 563 H H . TRP A 1 38 ? -17.799 -18.968 13.733 1.00 23.43 ? 344 TRP A H 1 ATOM 564 H HA . TRP A 1 38 ? -19.171 -19.291 11.579 1.00 25.82 ? 344 TRP A HA 1 ATOM 565 H HB2 . TRP A 1 38 ? -17.251 -20.234 10.642 1.00 17.35 ? 344 TRP A HB2 1 ATOM 566 H HB3 . TRP A 1 38 ? -16.940 -18.880 11.393 1.00 17.35 ? 344 TRP A HB3 1 ATOM 567 H HD1 . TRP A 1 38 ? -15.329 -19.023 13.440 1.00 19.81 ? 344 TRP A HD1 1 ATOM 568 H HE1 . TRP A 1 38 ? -13.703 -20.623 14.145 1.00 23.00 ? 344 TRP A HE1 1 ATOM 569 H HE3 . TRP A 1 38 ? -16.750 -22.804 10.691 1.00 24.61 ? 344 TRP A HE3 1 ATOM 570 H HZ2 . TRP A 1 38 ? -13.086 -23.278 13.564 1.00 24.95 ? 344 TRP A HZ2 1 ATOM 571 H HZ3 . TRP A 1 38 ? -15.610 -24.784 10.826 1.00 25.39 ? 344 TRP A HZ3 1 ATOM 572 H HH2 . TRP A 1 38 ? -13.806 -25.027 12.239 1.00 23.24 ? 344 TRP A HH2 1 ATOM 573 N N . GLU A 1 39 ? -19.916 -21.557 11.099 1.00 16.95 ? 345 GLU A N 1 ATOM 574 C CA . GLU A 1 39 ? -20.554 -22.850 10.923 1.00 19.25 ? 345 GLU A CA 1 ATOM 575 C C . GLU A 1 39 ? -19.814 -23.695 9.893 1.00 19.90 ? 345 GLU A C 1 ATOM 576 O O . GLU A 1 39 ? -19.227 -23.195 8.924 1.00 20.59 ? 345 GLU A O 1 ATOM 577 C CB . GLU A 1 39 ? -22.022 -22.681 10.517 1.00 19.99 ? 345 GLU A CB 1 ATOM 578 C CG . GLU A 1 39 ? -22.861 -22.142 11.666 1.00 21.65 ? 345 GLU A CG 1 ATOM 579 C CD . GLU A 1 39 ? -24.255 -21.761 11.254 1.00 23.07 ? 345 GLU A CD 1 ATOM 580 O OE1 . GLU A 1 39 ? -24.641 -22.056 10.102 1.00 25.63 ? 345 GLU A OE1 1 ATOM 581 O OE2 . GLU A 1 39 ? -24.950 -21.119 12.068 1.00 22.71 ? 345 GLU A OE2 1 ATOM 582 H H . GLU A 1 39 ? -20.100 -21.002 10.468 1.00 20.34 ? 345 GLU A H 1 ATOM 583 H HA . GLU A 1 39 ? -20.532 -23.327 11.767 1.00 23.10 ? 345 GLU A HA 1 ATOM 584 H HB2 . GLU A 1 39 ? -22.079 -22.055 9.778 1.00 23.98 ? 345 GLU A HB2 1 ATOM 585 H HB3 . GLU A 1 39 ? -22.383 -23.543 10.255 1.00 23.98 ? 345 GLU A HB3 1 ATOM 586 H HG2 . GLU A 1 39 ? -22.928 -22.823 12.353 1.00 25.98 ? 345 GLU A HG2 1 ATOM 587 H HG3 . GLU A 1 39 ? -22.429 -21.351 12.026 1.00 25.98 ? 345 GLU A HG3 1 ATOM 588 N N . ARG A 1 40 ? -19.863 -24.988 10.109 1.00 18.75 ? 346 ARG A N 1 ATOM 589 C CA . ARG A 1 40 ? -19.194 -25.977 9.291 1.00 17.26 ? 346 ARG A CA 1 ATOM 590 C C . ARG A 1 40 ? -20.179 -27.052 8.882 1.00 24.84 ? 346 ARG A C 1 ATOM 591 O O . ARG A 1 40 ? -20.960 -27.522 9.708 1.00 24.88 ? 346 ARG A O 1 ATOM 592 C CB . ARG A 1 40 ? -18.078 -26.653 10.042 1.00 18.76 ? 346 ARG A CB 1 ATOM 593 C CG . ARG A 1 40 ? -17.532 -27.876 9.305 1.00 20.48 ? 346 ARG A CG 1 ATOM 594 C CD . ARG A 1 40 ? -16.195 -28.262 9.894 1.00 24.02 ? 346 ARG A CD 1 ATOM 595 N NE . ARG A 1 40 ? -15.152 -27.314 9.518 1.00 24.05 ? 346 ARG A NE 1 ATOM 596 C CZ . ARG A 1 40 ? -13.853 -27.498 9.743 1.00 22.14 ? 346 ARG A CZ 1 ATOM 597 N NH1 . ARG A 1 40 ? -13.426 -28.613 10.321 1.00 28.73 ? 346 ARG A NH1 1 ATOM 598 N NH2 . ARG A 1 40 ? -12.970 -26.596 9.352 1.00 25.51 ? 346 ARG A NH2 1 ATOM 599 H H . ARG A 1 40 ? -20.301 -25.338 10.761 1.00 22.50 ? 346 ARG A H 1 ATOM 600 H HA . ARG A 1 40 ? -18.832 -25.560 8.493 1.00 20.71 ? 346 ARG A HA 1 ATOM 601 H HB2 . ARG A 1 40 ? -17.349 -26.024 10.162 1.00 22.51 ? 346 ARG A HB2 1 ATOM 602 H HB3 . ARG A 1 40 ? -18.409 -26.946 10.906 1.00 22.51 ? 346 ARG A HB3 1 ATOM 603 H HG2 . ARG A 1 40 ? -18.144 -28.621 9.409 1.00 24.58 ? 346 ARG A HG2 1 ATOM 604 H HG3 . ARG A 1 40 ? -17.408 -27.663 8.367 1.00 24.58 ? 346 ARG A HG3 1 ATOM 605 H HD2 . ARG A 1 40 ? -16.262 -28.271 10.862 1.00 28.82 ? 346 ARG A HD2 1 ATOM 606 H HD3 . ARG A 1 40 ? -15.942 -29.139 9.567 1.00 28.82 ? 346 ARG A HD3 1 ATOM 607 H HE . ARG A 1 40 ? -15.392 -26.588 9.124 1.00 28.86 ? 346 ARG A HE 1 ATOM 608 H HH11 . ARG A 1 40 ? -13.991 -29.211 10.572 1.00 34.48 ? 346 ARG A HH11 1 ATOM 609 H HH12 . ARG A 1 40 ? -12.586 -28.730 10.460 1.00 34.48 ? 346 ARG A HH12 1 ATOM 610 H HH21 . ARG A 1 40 ? -13.235 -25.871 8.972 1.00 30.61 ? 346 ARG A HH21 1 ATOM 611 H HH22 . ARG A 1 40 ? -12.132 -26.723 9.498 1.00 30.61 ? 346 ARG A HH22 1 ATOM 612 N N . LYS A 1 41 ? -20.125 -27.458 7.615 1.00 25.68 ? 347 LYS A N 1 ATOM 613 C CA . LYS A 1 41 ? -20.881 -28.612 7.167 1.00 23.46 ? 347 LYS A CA 1 ATOM 614 C C . LYS A 1 41 ? -19.991 -29.421 6.247 1.00 25.43 ? 347 LYS A C 1 ATOM 615 O O . LYS A 1 41 ? -19.315 -28.866 5.380 1.00 19.75 ? 347 LYS A O 1 ATOM 616 C CB . LYS A 1 41 ? -22.174 -28.204 6.475 1.00 26.09 ? 347 LYS A CB 1 ATOM 617 C CG . LYS A 1 41 ? -22.959 -29.401 5.998 1.00 32.82 ? 347 LYS A CG 1 ATOM 618 C CD . LYS A 1 41 ? -24.406 -29.074 5.671 1.00 36.35 ? 347 LYS A CD 1 ATOM 619 C CE . LYS A 1 41 ? -25.157 -30.364 5.328 1.00 45.25 ? 347 LYS A CE 1 ATOM 620 N NZ . LYS A 1 41 ? -26.558 -30.095 4.914 1.00 67.02 ? 347 LYS A NZ 1 ATOM 621 H H . LYS A 1 41 ? -19.657 -27.081 7.000 1.00 30.81 ? 347 LYS A H 1 ATOM 622 H HA . LYS A 1 41 ? -21.108 -29.163 7.933 1.00 28.15 ? 347 LYS A HA 1 ATOM 623 H HB2 . LYS A 1 41 ? -22.727 -27.708 7.100 1.00 31.31 ? 347 LYS A HB2 1 ATOM 624 H HB3 . LYS A 1 41 ? -21.963 -27.653 5.705 1.00 31.31 ? 347 LYS A HB3 1 ATOM 625 H HG2 . LYS A 1 41 ? -22.543 -29.751 5.195 1.00 39.38 ? 347 LYS A HG2 1 ATOM 626 H HG3 . LYS A 1 41 ? -22.956 -30.077 6.694 1.00 39.38 ? 347 LYS A HG3 1 ATOM 627 H HD2 . LYS A 1 41 ? -24.830 -28.664 6.441 1.00 43.62 ? 347 LYS A HD2 1 ATOM 628 H HD3 . LYS A 1 41 ? -24.442 -28.481 4.904 1.00 43.62 ? 347 LYS A HD3 1 ATOM 629 H HE2 . LYS A 1 41 ? -24.705 -30.811 4.596 1.00 54.30 ? 347 LYS A HE2 1 ATOM 630 H HE3 . LYS A 1 41 ? -25.177 -30.939 6.110 1.00 54.30 ? 347 LYS A HE3 1 ATOM 631 H HZ1 . LYS A 1 41 ? -26.971 -30.860 4.721 1.00 80.42 ? 347 LYS A HZ1 1 ATOM 632 H HZ2 . LYS A 1 41 ? -26.997 -29.688 5.572 1.00 80.42 ? 347 LYS A HZ2 1 ATOM 633 H HZ3 . LYS A 1 41 ? -26.567 -29.572 4.194 1.00 80.42 ? 347 LYS A HZ3 1 ATOM 634 N N . ILE A 1 42 ? -19.958 -30.726 6.474 1.00 23.84 ? 348 ILE A N 1 ATOM 635 C CA . ILE A 1 42 ? -19.142 -31.639 5.682 1.00 30.02 ? 348 ILE A CA 1 ATOM 636 C C . ILE A 1 42 ? -20.027 -32.371 4.681 1.00 26.64 ? 348 ILE A C 1 ATOM 637 O O . ILE A 1 42 ? -21.047 -32.967 5.049 1.00 25.49 ? 348 ILE A O 1 ATOM 638 C CB . ILE A 1 42 ? -18.403 -32.638 6.584 1.00 35.42 ? 348 ILE A CB 1 ATOM 639 C CG1 . ILE A 1 42 ? -17.601 -31.876 7.647 1.00 31.20 ? 348 ILE A CG1 1 ATOM 640 C CG2 . ILE A 1 42 ? -17.509 -33.526 5.736 1.00 31.44 ? 348 ILE A CG2 1 ATOM 641 C CD1 . ILE A 1 42 ? -16.894 -32.757 8.611 1.00 34.15 ? 348 ILE A CD1 1 ATOM 642 H H . ILE A 1 42 ? -20.409 -31.116 7.094 1.00 28.61 ? 348 ILE A H 1 ATOM 643 H HA . ILE A 1 42 ? -18.481 -31.130 5.187 1.00 36.03 ? 348 ILE A HA 1 ATOM 644 H HB . ILE A 1 42 ? -19.059 -33.196 7.031 1.00 42.50 ? 348 ILE A HB 1 ATOM 645 H HG12 . ILE A 1 42 ? -16.935 -31.327 7.204 1.00 37.44 ? 348 ILE A HG12 1 ATOM 646 H HG13 . ILE A 1 42 ? -18.208 -31.312 8.152 1.00 37.44 ? 348 ILE A HG13 1 ATOM 647 H HG21 . ILE A 1 42 ? -17.047 -34.153 6.315 1.00 37.73 ? 348 ILE A HG21 1 ATOM 648 H HG22 . ILE A 1 42 ? -18.057 -34.008 5.097 1.00 37.73 ? 348 ILE A HG22 1 ATOM 649 H HG23 . ILE A 1 42 ? -16.865 -32.971 5.268 1.00 37.73 ? 348 ILE A HG23 1 ATOM 650 H HD11 . ILE A 1 42 ? -16.413 -32.206 9.247 1.00 40.99 ? 348 ILE A HD11 1 ATOM 651 H HD12 . ILE A 1 42 ? -17.546 -33.306 9.074 1.00 40.99 ? 348 ILE A HD12 1 ATOM 652 H HD13 . ILE A 1 42 ? -16.272 -33.321 8.124 1.00 40.99 ? 348 ILE A HD13 1 ATOM 653 N N . PHE A 1 43 ? -19.628 -32.341 3.420 1.00 24.64 ? 349 PHE A N 1 ATOM 654 C CA . PHE A 1 43 ? -20.384 -32.967 2.345 1.00 25.00 ? 349 PHE A CA 1 ATOM 655 C C . PHE A 1 43 ? -19.619 -34.184 1.868 1.00 22.60 ? 349 PHE A C 1 ATOM 656 O O . PHE A 1 43 ? -18.413 -34.104 1.624 1.00 25.69 ? 349 PHE A O 1 ATOM 657 C CB . PHE A 1 43 ? -20.612 -31.983 1.198 1.00 25.60 ? 349 PHE A CB 1 ATOM 658 C CG . PHE A 1 43 ? -21.493 -30.843 1.581 1.00 25.06 ? 349 PHE A CG 1 ATOM 659 C CD1 . PHE A 1 43 ? -20.960 -29.703 2.163 1.00 26.05 ? 349 PHE A CD1 1 ATOM 660 C CD2 . PHE A 1 43 ? -22.862 -30.922 1.399 1.00 26.43 ? 349 PHE A CD2 1 ATOM 661 C CE1 . PHE A 1 43 ? -21.784 -28.667 2.524 1.00 25.79 ? 349 PHE A CE1 1 ATOM 662 C CE2 . PHE A 1 43 ? -23.683 -29.890 1.748 1.00 28.82 ? 349 PHE A CE2 1 ATOM 663 C CZ . PHE A 1 43 ? -23.142 -28.753 2.313 1.00 24.52 ? 349 PHE A CZ 1 ATOM 664 H H . PHE A 1 43 ? -18.906 -31.956 3.154 1.00 29.57 ? 349 PHE A H 1 ATOM 665 H HA . PHE A 1 43 ? -21.247 -33.256 2.681 1.00 30.00 ? 349 PHE A HA 1 ATOM 666 H HB2 . PHE A 1 43 ? -19.757 -31.620 0.918 1.00 30.72 ? 349 PHE A HB2 1 ATOM 667 H HB3 . PHE A 1 43 ? -21.032 -32.451 0.459 1.00 30.72 ? 349 PHE A HB3 1 ATOM 668 H HD1 . PHE A 1 43 ? -20.043 -29.637 2.300 1.00 31.26 ? 349 PHE A HD1 1 ATOM 669 H HD2 . PHE A 1 43 ? -23.227 -31.684 1.011 1.00 31.71 ? 349 PHE A HD2 1 ATOM 670 H HE1 . PHE A 1 43 ? -21.422 -27.899 2.903 1.00 30.95 ? 349 PHE A HE1 1 ATOM 671 H HE2 . PHE A 1 43 ? -24.600 -29.954 1.611 1.00 34.58 ? 349 PHE A HE2 1 ATOM 672 H HZ . PHE A 1 43 ? -23.696 -28.049 2.561 1.00 29.43 ? 349 PHE A HZ 1 ATOM 673 N N . SER A 1 44 ? -20.319 -35.310 1.755 1.00 23.30 ? 350 SER A N 1 ATOM 674 C CA . SER A 1 44 ? -19.687 -36.561 1.381 1.00 22.56 ? 350 SER A CA 1 ATOM 675 C C . SER A 1 44 ? -20.721 -37.419 0.666 1.00 26.37 ? 350 SER A C 1 ATOM 676 O O . SER A 1 44 ? -21.920 -37.299 0.923 1.00 29.16 ? 350 SER A O 1 ATOM 677 C CB . SER A 1 44 ? -19.144 -37.318 2.616 1.00 22.47 ? 350 SER A CB 1 ATOM 678 O OG . SER A 1 44 ? -18.134 -38.208 2.196 1.00 58.89 ? 350 SER A OG 1 ATOM 679 H H . SER A 1 44 ? -21.166 -35.372 1.892 1.00 27.96 ? 350 SER A H 1 ATOM 680 H HA . SER A 1 44 ? -18.951 -36.388 0.773 1.00 27.07 ? 350 SER A HA 1 ATOM 681 H HB2 . SER A 1 44 ? -18.771 -36.681 3.245 1.00 26.96 ? 350 SER A HB2 1 ATOM 682 H HB3 . SER A 1 44 ? -19.864 -37.819 3.028 1.00 26.96 ? 350 SER A HB3 1 ATOM 683 H HG . SER A 1 44 ? -17.509 -37.782 1.831 1.00 70.67 ? 350 SER A HG 1 ATOM 684 N N . ASN A 1 45 ? -20.251 -38.270 -0.243 1.00 28.43 ? 351 ASN A N 1 ATOM 685 C CA . ASN A 1 45 ? -21.091 -39.328 -0.806 1.00 25.66 ? 351 ASN A CA 1 ATOM 686 C C . ASN A 1 45 ? -22.314 -38.719 -1.478 1.00 23.60 ? 351 ASN A C 1 ATOM 687 O O . ASN A 1 45 ? -23.452 -39.119 -1.239 1.00 31.01 ? 351 ASN A O 1 ATOM 688 C CB . ASN A 1 45 ? -21.490 -40.328 0.289 1.00 28.11 ? 351 ASN A CB 1 ATOM 689 C CG . ASN A 1 45 ? -21.811 -41.715 -0.259 1.00 43.53 ? 351 ASN A CG 1 ATOM 690 O OD1 . ASN A 1 45 ? -21.033 -42.311 -1.021 1.00 34.99 ? 351 ASN A OD1 1 ATOM 691 N ND2 . ASN A 1 45 ? -22.969 -42.235 0.130 1.00 39.24 ? 351 ASN A ND2 1 ATOM 692 H H . ASN A 1 45 ? -19.448 -38.257 -0.552 1.00 34.12 ? 351 ASN A H 1 ATOM 693 H HA . ASN A 1 45 ? -20.585 -39.808 -1.481 1.00 30.79 ? 351 ASN A HA 1 ATOM 694 H HB2 . ASN A 1 45 ? -20.756 -40.417 0.917 1.00 33.73 ? 351 ASN A HB2 1 ATOM 695 H HB3 . ASN A 1 45 ? -22.279 -39.997 0.746 1.00 33.73 ? 351 ASN A HB3 1 ATOM 696 H HD21 . ASN A 1 45 ? -23.204 -43.015 -0.147 1.00 47.08 ? 351 ASN A HD21 1 ATOM 697 H HD22 . ASN A 1 45 ? -23.483 -41.792 0.658 1.00 47.08 ? 351 ASN A HD22 1 ATOM 698 N N . CYS A 1 46 ? -22.072 -37.710 -2.316 1.00 28.26 ? 352 CYS A N 1 ATOM 699 C CA . CYS A 1 46 ? -23.153 -36.977 -2.963 1.00 25.41 ? 352 CYS A CA 1 ATOM 700 C C . CYS A 1 46 ? -22.593 -36.325 -4.221 1.00 25.60 ? 352 CYS A C 1 ATOM 701 O O . CYS A 1 46 ? -21.377 -36.249 -4.402 1.00 31.27 ? 352 CYS A O 1 ATOM 702 C CB . CYS A 1 46 ? -23.762 -35.950 -1.987 1.00 36.07 ? 352 CYS A CB 1 ATOM 703 S SG . CYS A 1 46 ? -22.574 -34.770 -1.343 1.00 31.96 ? 352 CYS A SG 1 ATOM 704 H H . CYS A 1 46 ? -21.286 -37.432 -2.525 1.00 33.92 ? 352 CYS A H 1 ATOM 705 H HA . CYS A 1 46 ? -23.851 -37.598 -3.226 1.00 30.49 ? 352 CYS A HA 1 ATOM 706 H HB2 . CYS A 1 46 ? -24.454 -35.452 -2.450 1.00 43.28 ? 352 CYS A HB2 1 ATOM 707 H HB3 . CYS A 1 46 ? -24.147 -36.425 -1.234 1.00 43.28 ? 352 CYS A HB3 1 ATOM 708 N N . ASN A 1 47 ? -23.479 -35.905 -5.119 1.00 23.24 ? 353 ASN A N 1 ATOM 709 C CA . ASN A 1 47 ? -23.056 -35.271 -6.362 1.00 25.27 ? 353 ASN A CA 1 ATOM 710 C C . ASN A 1 47 ? -23.274 -33.766 -6.271 1.00 25.33 ? 353 ASN A C 1 ATOM 711 O O . ASN A 1 47 ? -24.327 -33.310 -5.820 1.00 28.06 ? 353 ASN A O 1 ATOM 712 C CB . ASN A 1 47 ? -23.820 -35.798 -7.584 1.00 28.75 ? 353 ASN A CB 1 ATOM 713 C CG . ASN A 1 47 ? -23.751 -37.282 -7.701 1.00 37.12 ? 353 ASN A CG 1 ATOM 714 O OD1 . ASN A 1 47 ? -24.774 -37.958 -7.750 1.00 42.31 ? 353 ASN A OD1 1 ATOM 715 N ND2 . ASN A 1 47 ? -22.543 -37.810 -7.697 1.00 36.52 ? 353 ASN A ND2 1 ATOM 716 H H . ASN A 1 47 ? -24.332 -35.975 -5.032 1.00 27.89 ? 353 ASN A H 1 ATOM 717 H HA . ASN A 1 47 ? -22.110 -35.434 -6.499 1.00 30.33 ? 353 ASN A HA 1 ATOM 718 H HB2 . ASN A 1 47 ? -24.753 -35.545 -7.508 1.00 34.50 ? 353 ASN A HB2 1 ATOM 719 H HB3 . ASN A 1 47 ? -23.435 -35.415 -8.388 1.00 34.50 ? 353 ASN A HB3 1 ATOM 720 H HD21 . ASN A 1 47 ? -22.446 -38.662 -7.761 1.00 43.83 ? 353 ASN A HD21 1 ATOM 721 H HD22 . ASN A 1 47 ? -21.853 -37.302 -7.629 1.00 43.83 ? 353 ASN A HD22 1 ATOM 722 N N . PHE A 1 48 ? -22.284 -33.006 -6.719 1.00 29.98 ? 354 PHE A N 1 ATOM 723 C CA . PHE A 1 48 ? -22.381 -31.549 -6.754 1.00 28.40 ? 354 PHE A CA 1 ATOM 724 C C . PHE A 1 48 ? -22.058 -31.034 -8.151 1.00 31.47 ? 354 PHE A C 1 ATOM 725 O O . PHE A 1 48 ? -21.475 -31.729 -8.981 1.00 27.48 ? 354 PHE A O 1 ATOM 726 C CB . PHE A 1 48 ? -21.446 -30.912 -5.722 1.00 31.08 ? 354 PHE A CB 1 ATOM 727 C CG . PHE A 1 48 ? -19.990 -31.048 -6.045 1.00 21.73 ? 354 PHE A CG 1 ATOM 728 C CD1 . PHE A 1 48 ? -19.291 -32.171 -5.660 1.00 28.24 ? 354 PHE A CD1 1 ATOM 729 C CD2 . PHE A 1 48 ? -19.318 -30.039 -6.710 1.00 25.03 ? 354 PHE A CD2 1 ATOM 730 C CE1 . PHE A 1 48 ? -17.949 -32.297 -5.956 1.00 29.19 ? 354 PHE A CE1 1 ATOM 731 C CE2 . PHE A 1 48 ? -17.966 -30.162 -7.006 1.00 25.08 ? 354 PHE A CE2 1 ATOM 732 C CZ . PHE A 1 48 ? -17.290 -31.276 -6.627 1.00 32.43 ? 354 PHE A CZ 1 ATOM 733 H H . PHE A 1 48 ? -21.535 -33.311 -7.011 1.00 35.98 ? 354 PHE A H 1 ATOM 734 H HA . PHE A 1 48 ? -23.290 -31.287 -6.539 1.00 34.08 ? 354 PHE A HA 1 ATOM 735 H HB2 . PHE A 1 48 ? -21.648 -29.965 -5.662 1.00 37.29 ? 354 PHE A HB2 1 ATOM 736 H HB3 . PHE A 1 48 ? -21.598 -31.334 -4.862 1.00 37.29 ? 354 PHE A HB3 1 ATOM 737 H HD1 . PHE A 1 48 ? -19.731 -32.856 -5.211 1.00 33.89 ? 354 PHE A HD1 1 ATOM 738 H HD2 . PHE A 1 48 ? -19.778 -29.274 -6.971 1.00 30.04 ? 354 PHE A HD2 1 ATOM 739 H HE1 . PHE A 1 48 ? -17.484 -33.060 -5.696 1.00 35.03 ? 354 PHE A HE1 1 ATOM 740 H HE2 . PHE A 1 48 ? -17.524 -29.480 -7.457 1.00 30.09 ? 354 PHE A HE2 1 ATOM 741 H HZ . PHE A 1 48 ? -16.385 -31.359 -6.826 1.00 38.92 ? 354 PHE A HZ 1 ATOM 742 N N . ASN A 1 49 ? -22.434 -29.789 -8.388 1.00 29.60 ? 355 ASN A N 1 ATOM 743 C CA . ASN A 1 49 ? -22.229 -29.109 -9.661 1.00 24.48 ? 355 ASN A CA 1 ATOM 744 C C . ASN A 1 49 ? -21.629 -27.741 -9.357 1.00 23.00 ? 355 ASN A C 1 ATOM 745 O O . ASN A 1 49 ? -22.353 -26.864 -8.902 1.00 29.95 ? 355 ASN A O 1 ATOM 746 C CB . ASN A 1 49 ? -23.549 -28.943 -10.388 1.00 37.56 ? 355 ASN A CB 1 ATOM 747 C CG . ASN A 1 49 ? -23.689 -29.832 -11.565 1.00 44.64 ? 355 ASN A CG 1 ATOM 748 O OD1 . ASN A 1 49 ? -23.027 -30.870 -11.693 1.00 46.35 ? 355 ASN A OD1 1 ATOM 749 N ND2 . ASN A 1 49 ? -24.579 -29.440 -12.447 1.00 60.90 ? 355 ASN A ND2 1 ATOM 750 H H . ASN A 1 49 ? -22.827 -29.296 -7.804 1.00 35.53 ? 355 ASN A H 1 ATOM 751 H HA . ASN A 1 49 ? -21.616 -29.613 -10.218 1.00 29.38 ? 355 ASN A HA 1 ATOM 752 H HB2 . ASN A 1 49 ? -24.273 -29.145 -9.775 1.00 45.07 ? 355 ASN A HB2 1 ATOM 753 H HB3 . ASN A 1 49 ? -23.624 -28.027 -10.697 1.00 45.07 ? 355 ASN A HB3 1 ATOM 754 N N . LEU A 1 50 ? -20.328 -27.558 -9.583 1.00 31.57 ? 356 LEU A N 1 ATOM 755 C CA . LEU A 1 50 ? -19.722 -26.260 -9.311 1.00 29.87 ? 356 LEU A CA 1 ATOM 756 C C . LEU A 1 50 ? -20.326 -25.170 -10.187 1.00 33.66 ? 356 LEU A C 1 ATOM 757 O O . LEU A 1 50 ? -20.526 -24.031 -9.735 1.00 29.80 ? 356 LEU A O 1 ATOM 758 C CB . LEU A 1 50 ? -18.208 -26.331 -9.518 1.00 30.98 ? 356 LEU A CB 1 ATOM 759 C CG . LEU A 1 50 ? -17.461 -25.015 -9.248 1.00 32.29 ? 356 LEU A CG 1 ATOM 760 C CD1 . LEU A 1 50 ? -17.732 -24.533 -7.833 1.00 31.29 ? 356 LEU A CD1 1 ATOM 761 C CD2 . LEU A 1 50 ? -15.974 -25.207 -9.462 1.00 38.87 ? 356 LEU A CD2 1 ATOM 762 H H . LEU A 1 50 ? -19.788 -28.155 -9.886 1.00 37.88 ? 356 LEU A H 1 ATOM 763 H HA . LEU A 1 50 ? -19.886 -26.024 -8.384 1.00 35.84 ? 356 LEU A HA 1 ATOM 764 H HB2 . LEU A 1 50 ? -17.845 -27.002 -8.919 1.00 37.18 ? 356 LEU A HB2 1 ATOM 765 H HB3 . LEU A 1 50 ? -18.033 -26.585 -10.437 1.00 37.18 ? 356 LEU A HB3 1 ATOM 766 H HG . LEU A 1 50 ? -17.773 -24.336 -9.867 1.00 38.75 ? 356 LEU A HG 1 ATOM 767 H HD11 . LEU A 1 50 ? -17.252 -23.703 -7.685 1.00 37.54 ? 356 LEU A HD11 1 ATOM 768 H HD12 . LEU A 1 50 ? -18.685 -24.388 -7.726 1.00 37.54 ? 356 LEU A HD12 1 ATOM 769 H HD13 . LEU A 1 50 ? -17.428 -25.208 -7.206 1.00 37.54 ? 356 LEU A HD13 1 ATOM 770 H HD21 . LEU A 1 50 ? -15.519 -24.368 -9.288 1.00 46.64 ? 356 LEU A HD21 1 ATOM 771 H HD22 . LEU A 1 50 ? -15.653 -25.890 -8.853 1.00 46.64 ? 356 LEU A HD22 1 ATOM 772 H HD23 . LEU A 1 50 ? -15.820 -25.483 -10.380 1.00 46.64 ? 356 LEU A HD23 1 ATOM 773 N N . SER A 1 51 ? -20.623 -25.484 -11.449 1.00 27.15 ? 357 SER A N 1 ATOM 774 C CA . SER A 1 51 ? -21.114 -24.442 -12.346 1.00 27.45 ? 357 SER A CA 1 ATOM 775 C C . SER A 1 51 ? -22.477 -23.945 -11.886 1.00 29.49 ? 357 SER A C 1 ATOM 776 O O . SER A 1 51 ? -22.714 -22.738 -11.763 1.00 32.60 ? 357 SER A O 1 ATOM 777 C CB . SER A 1 51 ? -21.169 -24.959 -13.782 1.00 30.62 ? 357 SER A CB 1 ATOM 778 O OG . SER A 1 51 ? -22.077 -26.030 -13.905 1.00 38.34 ? 357 SER A OG 1 ATOM 779 H H . SER A 1 51 ? -20.551 -26.266 -11.799 1.00 32.58 ? 357 SER A H 1 ATOM 780 H HA . SER A 1 51 ? -20.500 -23.691 -12.322 1.00 32.94 ? 357 SER A HA 1 ATOM 781 H HB2 . SER A 1 51 ? -21.452 -24.238 -14.365 1.00 36.75 ? 357 SER A HB2 1 ATOM 782 H HB3 . SER A 1 51 ? -20.285 -25.266 -14.039 1.00 36.75 ? 357 SER A HB3 1 ATOM 783 H HG . SER A 1 51 ? -21.844 -26.663 -13.404 1.00 46.01 ? 357 SER A HG 1 ATOM 784 N N . THR A 1 52 ? -23.377 -24.870 -11.585 1.00 28.31 ? 358 THR A N 1 ATOM 785 C CA . THR A 1 52 ? -24.677 -24.503 -11.045 1.00 32.45 ? 358 THR A CA 1 ATOM 786 C C . THR A 1 52 ? -24.533 -23.785 -9.711 1.00 32.72 ? 358 THR A C 1 ATOM 787 O O . THR A 1 52 ? -25.261 -22.824 -9.423 1.00 27.12 ? 358 THR A O 1 ATOM 788 C CB . THR A 1 52 ? -25.521 -25.761 -10.856 1.00 35.63 ? 358 THR A CB 1 ATOM 789 O OG1 . THR A 1 52 ? -25.422 -26.581 -12.028 1.00 46.04 ? 358 THR A OG1 1 ATOM 790 C CG2 . THR A 1 52 ? -26.963 -25.406 -10.593 1.00 35.62 ? 358 THR A CG2 1 ATOM 791 H H . THR A 1 52 ? -23.259 -25.716 -11.683 1.00 33.97 ? 358 THR A H 1 ATOM 792 H HA . THR A 1 52 ? -25.133 -23.914 -11.666 1.00 38.94 ? 358 THR A HA 1 ATOM 793 H HB . THR A 1 52 ? -25.187 -26.257 -10.092 1.00 42.76 ? 358 THR A HB 1 ATOM 794 H HG1 . THR A 1 52 ? -25.884 -27.276 -11.932 1.00 55.25 ? 358 THR A HG1 1 ATOM 795 H HG21 . THR A 1 52 ? -27.487 -26.214 -10.476 1.00 42.75 ? 358 THR A HG21 1 ATOM 796 H HG22 . THR A 1 52 ? -27.031 -24.867 -9.790 1.00 42.75 ? 358 THR A HG22 1 ATOM 797 H HG23 . THR A 1 52 ? -27.322 -24.904 -11.341 1.00 42.75 ? 358 THR A HG23 1 ATOM 798 N N . LEU A 1 53 ? -23.629 -24.264 -8.865 1.00 27.88 ? 359 LEU A N 1 ATOM 799 C CA . LEU A 1 53 ? -23.452 -23.647 -7.545 1.00 29.06 ? 359 LEU A CA 1 ATOM 800 C C . LEU A 1 53 ? -23.150 -22.155 -7.668 1.00 28.26 ? 359 LEU A C 1 ATOM 801 O O . LEU A 1 53 ? -23.764 -21.320 -6.991 1.00 28.30 ? 359 LEU A O 1 ATOM 802 C CB . LEU A 1 53 ? -22.324 -24.364 -6.807 1.00 28.93 ? 359 LEU A CB 1 ATOM 803 C CG . LEU A 1 53 ? -22.015 -23.836 -5.399 1.00 32.95 ? 359 LEU A CG 1 ATOM 804 C CD1 . LEU A 1 53 ? -23.222 -24.040 -4.532 1.00 33.07 ? 359 LEU A CD1 1 ATOM 805 C CD2 . LEU A 1 53 ? -20.828 -24.562 -4.818 1.00 30.49 ? 359 LEU A CD2 1 ATOM 806 H H . LEU A 1 53 ? -23.112 -24.933 -9.022 1.00 33.46 ? 359 LEU A H 1 ATOM 807 H HA . LEU A 1 53 ? -24.268 -23.751 -7.031 1.00 34.87 ? 359 LEU A HA 1 ATOM 808 H HB2 . LEU A 1 53 ? -22.561 -25.300 -6.721 1.00 34.72 ? 359 LEU A HB2 1 ATOM 809 H HB3 . LEU A 1 53 ? -21.513 -24.282 -7.332 1.00 34.72 ? 359 LEU A HB3 1 ATOM 810 H HG . LEU A 1 53 ? -21.814 -22.888 -5.438 1.00 39.54 ? 359 LEU A HG 1 ATOM 811 H HD11 . LEU A 1 53 ? -23.030 -23.708 -3.641 1.00 39.69 ? 359 LEU A HD11 1 ATOM 812 H HD12 . LEU A 1 53 ? -23.970 -23.554 -4.913 1.00 39.69 ? 359 LEU A HD12 1 ATOM 813 H HD13 . LEU A 1 53 ? -23.427 -24.988 -4.495 1.00 39.69 ? 359 LEU A HD13 1 ATOM 814 H HD21 . LEU A 1 53 ? -20.649 -24.215 -3.930 1.00 36.59 ? 359 LEU A HD21 1 ATOM 815 H HD22 . LEU A 1 53 ? -21.031 -25.509 -4.768 1.00 36.59 ? 359 LEU A HD22 1 ATOM 816 H HD23 . LEU A 1 53 ? -20.059 -24.418 -5.391 1.00 36.59 ? 359 LEU A HD23 1 ATOM 817 N N . LEU A 1 54 ? -22.191 -21.800 -8.524 1.00 28.29 ? 360 LEU A N 1 ATOM 818 C CA . LEU A 1 54 ? -21.799 -20.401 -8.671 1.00 30.46 ? 360 LEU A CA 1 ATOM 819 C C . LEU A 1 54 ? -22.910 -19.522 -9.239 1.00 33.02 ? 360 LEU A C 1 ATOM 820 O O . LEU A 1 54 ? -22.869 -18.308 -9.054 1.00 37.06 ? 360 LEU A O 1 ATOM 821 C CB . LEU A 1 54 ? -20.563 -20.288 -9.562 1.00 28.33 ? 360 LEU A CB 1 ATOM 822 C CG . LEU A 1 54 ? -19.281 -20.923 -9.027 1.00 29.78 ? 360 LEU A CG 1 ATOM 823 C CD1 . LEU A 1 54 ? -18.204 -20.888 -10.109 1.00 32.75 ? 360 LEU A CD1 1 ATOM 824 C CD2 . LEU A 1 54 ? -18.807 -20.232 -7.723 1.00 35.03 ? 360 LEU A CD2 1 ATOM 825 H H . LEU A 1 54 ? -21.757 -22.346 -9.027 1.00 33.95 ? 360 LEU A H 1 ATOM 826 H HA . LEU A 1 54 ? -21.565 -20.051 -7.797 1.00 36.56 ? 360 LEU A HA 1 ATOM 827 H HB2 . LEU A 1 54 ? -20.762 -20.712 -10.412 1.00 34.00 ? 360 LEU A HB2 1 ATOM 828 H HB3 . LEU A 1 54 ? -20.379 -19.347 -9.708 1.00 34.00 ? 360 LEU A HB3 1 ATOM 829 H HG . LEU A 1 54 ? -19.459 -21.854 -8.819 1.00 35.73 ? 360 LEU A HG 1 ATOM 830 H HD11 . LEU A 1 54 ? -17.394 -21.293 -9.761 1.00 39.30 ? 360 LEU A HD11 1 ATOM 831 H HD12 . LEU A 1 54 ? -18.517 -21.384 -10.882 1.00 39.30 ? 360 LEU A HD12 1 ATOM 832 H HD13 . LEU A 1 54 ? -18.033 -19.965 -10.355 1.00 39.30 ? 360 LEU A HD13 1 ATOM 833 H HD21 . LEU A 1 54 ? -17.993 -20.662 -7.416 1.00 42.03 ? 360 LEU A HD21 1 ATOM 834 H HD22 . LEU A 1 54 ? -18.637 -19.295 -7.907 1.00 42.03 ? 360 LEU A HD22 1 ATOM 835 H HD23 . LEU A 1 54 ? -19.501 -20.317 -7.051 1.00 42.03 ? 360 LEU A HD23 1 ATOM 836 N N . ARG A 1 55 ? -23.888 -20.085 -9.934 1.00 28.15 ? 361 ARG A N 1 ATOM 837 C CA . ARG A 1 55 ? -25.044 -19.310 -10.368 1.00 32.65 ? 361 ARG A CA 1 ATOM 838 C C . ARG A 1 55 ? -26.149 -19.233 -9.319 1.00 37.62 ? 361 ARG A C 1 ATOM 839 O O . ARG A 1 55 ? -26.870 -18.234 -9.259 1.00 44.22 ? 361 ARG A O 1 ATOM 840 C CB . ARG A 1 55 ? -25.645 -19.915 -11.626 1.00 32.77 ? 361 ARG A CB 1 ATOM 841 C CG . ARG A 1 55 ? -24.700 -20.081 -12.790 1.00 45.11 ? 361 ARG A CG 1 ATOM 842 C CD . ARG A 1 55 ? -25.427 -20.731 -14.001 1.00 50.99 ? 361 ARG A CD 1 ATOM 843 N NE . ARG A 1 55 ? -26.400 -21.750 -13.582 1.00 63.39 ? 361 ARG A NE 1 ATOM 844 C CZ . ARG A 1 55 ? -27.689 -21.515 -13.324 1.00 73.47 ? 361 ARG A CZ 1 ATOM 845 N NH1 . ARG A 1 55 ? -28.195 -20.293 -13.457 1.00 82.09 ? 361 ARG A NH1 1 ATOM 846 N NH2 . ARG A 1 55 ? -28.482 -22.504 -12.930 1.00 53.53 ? 361 ARG A NH2 1 ATOM 847 H H . ARG A 1 55 ? -23.907 -20.912 -10.169 1.00 33.78 ? 361 ARG A H 1 ATOM 848 H HA . ARG A 1 55 ? -24.761 -18.405 -10.573 1.00 39.18 ? 361 ARG A HA 1 ATOM 849 H HB2 . ARG A 1 55 ? -25.992 -20.794 -11.407 1.00 39.33 ? 361 ARG A HB2 1 ATOM 850 H HB3 . ARG A 1 55 ? -26.372 -19.345 -11.922 1.00 39.33 ? 361 ARG A HB3 1 ATOM 851 H HG2 . ARG A 1 55 ? -24.368 -19.211 -13.062 1.00 54.14 ? 361 ARG A HG2 1 ATOM 852 H HG3 . ARG A 1 55 ? -23.965 -20.657 -12.528 1.00 54.14 ? 361 ARG A HG3 1 ATOM 853 H HD2 . ARG A 1 55 ? -25.903 -20.043 -14.493 1.00 61.19 ? 361 ARG A HD2 1 ATOM 854 H HD3 . ARG A 1 55 ? -24.771 -21.158 -14.574 1.00 61.19 ? 361 ARG A HD3 1 ATOM 855 H HE . ARG A 1 55 ? -26.118 -22.558 -13.496 1.00 76.07 ? 361 ARG A HE 1 ATOM 856 H HH11 . ARG A 1 55 ? -27.689 -19.643 -13.706 1.00 98.51 ? 361 ARG A HH11 1 ATOM 857 H HH12 . ARG A 1 55 ? -29.027 -20.151 -13.292 1.00 98.51 ? 361 ARG A HH12 1 ATOM 858 H HH21 . ARG A 1 55 ? -28.167 -23.299 -12.845 1.00 64.24 ? 361 ARG A HH21 1 ATOM 859 H HH22 . ARG A 1 55 ? -29.314 -22.351 -12.774 1.00 64.24 ? 361 ARG A HH22 1 ATOM 860 N N . LEU A 1 56 ? -26.334 -20.270 -8.511 1.00 33.69 ? 362 LEU A N 1 ATOM 861 C CA . LEU A 1 56 ? -27.427 -20.248 -7.546 1.00 33.36 ? 362 LEU A CA 1 ATOM 862 C C . LEU A 1 56 ? -27.094 -19.433 -6.303 1.00 33.63 ? 362 LEU A C 1 ATOM 863 O O . LEU A 1 56 ? -28.000 -18.932 -5.625 1.00 31.92 ? 362 LEU A O 1 ATOM 864 C CB . LEU A 1 56 ? -27.798 -21.672 -7.144 1.00 35.28 ? 362 LEU A CB 1 ATOM 865 C CG . LEU A 1 56 ? -28.430 -22.521 -8.245 1.00 38.08 ? 362 LEU A CG 1 ATOM 866 C CD1 . LEU A 1 56 ? -28.677 -23.902 -7.725 1.00 41.87 ? 362 LEU A CD1 1 ATOM 867 C CD2 . LEU A 1 56 ? -29.724 -21.903 -8.765 1.00 43.49 ? 362 LEU A CD2 1 ATOM 868 H H . LEU A 1 56 ? -25.854 -20.983 -8.500 1.00 40.42 ? 362 LEU A H 1 ATOM 869 H HA . LEU A 1 56 ? -28.205 -19.846 -7.964 1.00 40.04 ? 362 LEU A HA 1 ATOM 870 H HB2 . LEU A 1 56 ? -26.993 -22.127 -6.851 1.00 42.34 ? 362 LEU A HB2 1 ATOM 871 H HB3 . LEU A 1 56 ? -28.431 -21.629 -6.410 1.00 42.34 ? 362 LEU A HB3 1 ATOM 872 H HG . LEU A 1 56 ? -27.810 -22.587 -8.988 1.00 45.70 ? 362 LEU A HG 1 ATOM 873 H HD11 . LEU A 1 56 ? -29.078 -24.437 -8.428 1.00 50.24 ? 362 LEU A HD11 1 ATOM 874 H HD12 . LEU A 1 56 ? -27.831 -24.293 -7.454 1.00 50.24 ? 362 LEU A HD12 1 ATOM 875 H HD13 . LEU A 1 56 ? -29.277 -23.850 -6.964 1.00 50.24 ? 362 LEU A HD13 1 ATOM 876 H HD21 . LEU A 1 56 ? -30.088 -22.473 -9.460 1.00 52.19 ? 362 LEU A HD21 1 ATOM 877 H HD22 . LEU A 1 56 ? -30.355 -21.829 -8.032 1.00 52.19 ? 362 LEU A HD22 1 ATOM 878 H HD23 . LEU A 1 56 ? -29.530 -21.024 -9.126 1.00 52.19 ? 362 LEU A HD23 1 ATOM 879 N N . VAL A 1 57 ? -25.834 -19.300 -5.973 1.00 25.63 ? 363 VAL A N 1 ATOM 880 C CA . VAL A 1 57 ? -25.424 -18.330 -4.977 1.00 32.12 ? 363 VAL A CA 1 ATOM 881 C C . VAL A 1 57 ? -24.917 -17.114 -5.747 1.00 33.38 ? 363 VAL A C 1 ATOM 882 O O . VAL A 1 57 ? -24.264 -17.237 -6.792 1.00 39.17 ? 363 VAL A O 1 ATOM 883 C CB . VAL A 1 57 ? -24.384 -18.917 -3.999 1.00 26.82 ? 363 VAL A CB 1 ATOM 884 C CG1 . VAL A 1 57 ? -24.810 -20.362 -3.594 1.00 35.44 ? 363 VAL A CG1 1 ATOM 885 C CG2 . VAL A 1 57 ? -23.018 -18.928 -4.570 1.00 32.15 ? 363 VAL A CG2 1 ATOM 886 H H . VAL A 1 57 ? -25.188 -19.759 -6.308 1.00 30.76 ? 363 VAL A H 1 ATOM 887 H HA . VAL A 1 57 ? -26.199 -18.058 -4.462 1.00 38.54 ? 363 VAL A HA 1 ATOM 888 H HB . VAL A 1 57 ? -24.368 -18.374 -3.195 1.00 32.18 ? 363 VAL A HB 1 ATOM 889 H HG11 . VAL A 1 57 ? -24.152 -20.724 -2.980 1.00 42.52 ? 363 VAL A HG11 1 ATOM 890 H HG12 . VAL A 1 57 ? -25.679 -20.327 -3.166 1.00 42.52 ? 363 VAL A HG12 1 ATOM 891 H HG13 . VAL A 1 57 ? -24.856 -20.912 -4.392 1.00 42.52 ? 363 VAL A HG13 1 ATOM 892 H HG21 . VAL A 1 57 ? -22.407 -19.305 -3.917 1.00 38.58 ? 363 VAL A HG21 1 ATOM 893 H HG22 . VAL A 1 57 ? -23.017 -19.469 -5.375 1.00 38.58 ? 363 VAL A HG22 1 ATOM 894 H HG23 . VAL A 1 57 ? -22.757 -18.018 -4.781 1.00 38.58 ? 363 VAL A HG23 1 ATOM 895 N N . HIS A 1 58 ? -25.294 -15.942 -5.274 1.00 34.17 ? 364 HIS A N 1 ATOM 896 C CA . HIS A 1 58 ? -24.985 -14.676 -5.940 1.00 25.97 ? 364 HIS A CA 1 ATOM 897 C C . HIS A 1 58 ? -23.496 -14.415 -5.739 1.00 24.64 ? 364 HIS A C 1 ATOM 898 O O . HIS A 1 58 ? -23.062 -13.686 -4.840 1.00 24.51 ? 364 HIS A O 1 ATOM 899 C CB . HIS A 1 58 ? -25.884 -13.613 -5.339 1.00 27.77 ? 364 HIS A CB 1 ATOM 900 C CG . HIS A 1 58 ? -25.713 -12.236 -5.903 1.00 28.98 ? 364 HIS A CG 1 ATOM 901 N ND1 . HIS A 1 58 ? -26.775 -11.510 -6.397 1.00 51.17 ? 364 HIS A ND1 1 ATOM 902 C CD2 . HIS A 1 58 ? -24.632 -11.424 -5.987 1.00 50.03 ? 364 HIS A CD2 1 ATOM 903 C CE1 . HIS A 1 58 ? -26.349 -10.323 -6.797 1.00 38.20 ? 364 HIS A CE1 1 ATOM 904 N NE2 . HIS A 1 58 ? -25.053 -10.243 -6.557 1.00 42.41 ? 364 HIS A NE2 1 ATOM 905 H H . HIS A 1 58 ? -25.744 -15.844 -4.547 1.00 41.00 ? 364 HIS A H 1 ATOM 906 H HA . HIS A 1 58 ? -25.169 -14.746 -6.889 1.00 31.17 ? 364 HIS A HA 1 ATOM 907 H HB2 . HIS A 1 58 ? -26.807 -13.875 -5.483 1.00 33.33 ? 364 HIS A HB2 1 ATOM 908 H HB3 . HIS A 1 58 ? -25.706 -13.563 -4.387 1.00 33.33 ? 364 HIS A HB3 1 ATOM 909 H HD1 . HIS A 1 58 ? -27.586 -11.791 -6.453 0.47 61.40 ? 364 HIS A HD1 1 ATOM 910 H HD2 . HIS A 1 58 ? -23.765 -11.631 -5.724 1.00 60.04 ? 364 HIS A HD2 1 ATOM 911 H HE1 . HIS A 1 58 ? -26.874 -9.657 -7.179 1.00 45.85 ? 364 HIS A HE1 1 ATOM 912 N N . THR A 1 59 ? -22.697 -15.109 -6.544 1.00 26.05 ? 365 THR A N 1 ATOM 913 C CA . THR A 1 59 ? -21.254 -15.138 -6.364 1.00 25.11 ? 365 THR A CA 1 ATOM 914 C C . THR A 1 59 ? -20.618 -13.828 -6.801 1.00 29.95 ? 365 THR A C 1 ATOM 915 O O . THR A 1 59 ? -20.877 -13.347 -7.904 1.00 26.85 ? 365 THR A O 1 ATOM 916 C CB . THR A 1 59 ? -20.649 -16.284 -7.162 1.00 24.16 ? 365 THR A CB 1 ATOM 917 O OG1 . THR A 1 59 ? -21.099 -17.526 -6.614 1.00 33.86 ? 365 THR A OG1 1 ATOM 918 C CG2 . THR A 1 59 ? -19.131 -16.245 -7.100 1.00 26.81 ? 365 THR A CG2 1 ATOM 919 H H . THR A 1 59 ? -22.973 -15.578 -7.210 1.00 31.27 ? 365 THR A H 1 ATOM 920 H HA . THR A 1 59 ? -21.050 -15.278 -5.426 1.00 30.14 ? 365 THR A HA 1 ATOM 921 H HB . THR A 1 59 ? -20.924 -16.218 -8.090 1.00 28.99 ? 365 THR A HB 1 ATOM 922 H HG1 . THR A 1 59 ? -21.937 -17.571 -6.653 1.00 40.63 ? 365 THR A HG1 1 ATOM 923 H HG21 . THR A 1 59 ? -18.759 -16.980 -7.612 1.00 32.17 ? 365 THR A HG21 1 ATOM 924 H HG22 . THR A 1 59 ? -18.806 -15.408 -7.467 1.00 32.17 ? 365 THR A HG22 1 ATOM 925 H HG23 . THR A 1 59 ? -18.835 -16.320 -6.179 1.00 32.17 ? 365 THR A HG23 1 ATOM 926 N N A ASP A 1 60 ? -19.776 -13.259 -5.939 0.64 23.70 ? 366 ASP A N 1 ATOM 927 N N B ASP A 1 60 ? -19.788 -13.256 -5.932 0.36 23.82 ? 366 ASP A N 1 ATOM 928 C CA A ASP A 1 60 ? -18.946 -12.127 -6.323 0.64 26.71 ? 366 ASP A CA 1 ATOM 929 C CA B ASP A 1 60 ? -18.951 -12.114 -6.275 0.36 26.75 ? 366 ASP A CA 1 ATOM 930 C C A ASP A 1 60 ? -17.543 -12.553 -6.721 0.64 28.60 ? 366 ASP A C 1 ATOM 931 C C B ASP A 1 60 ? -17.550 -12.532 -6.697 0.36 28.56 ? 366 ASP A C 1 ATOM 932 O O A ASP A 1 60 ? -16.977 -12.020 -7.678 0.64 28.30 ? 366 ASP A O 1 ATOM 933 O O B ASP A 1 60 ? -16.989 -11.966 -7.638 0.36 28.37 ? 366 ASP A O 1 ATOM 934 C CB A ASP A 1 60 ? -18.850 -11.101 -5.188 0.64 29.87 ? 366 ASP A CB 1 ATOM 935 C CB B ASP A 1 60 ? -18.854 -11.150 -5.085 0.36 29.76 ? 366 ASP A CB 1 ATOM 936 C CG A ASP A 1 60 ? -18.072 -9.853 -5.615 0.64 35.81 ? 366 ASP A CG 1 ATOM 937 C CG B ASP A 1 60 ? -20.012 -10.164 -5.020 0.36 33.97 ? 366 ASP A CG 1 ATOM 938 O OD1 A ASP A 1 60 ? -18.600 -9.084 -6.445 0.64 34.15 ? 366 ASP A OD1 1 ATOM 939 O OD1 B ASP A 1 60 ? -20.544 -9.753 -6.082 0.36 30.34 ? 366 ASP A OD1 1 ATOM 940 O OD2 A ASP A 1 60 ? -16.919 -9.673 -5.164 0.64 37.57 ? 366 ASP A OD2 1 ATOM 941 O OD2 B ASP A 1 60 ? -20.395 -9.790 -3.891 0.36 37.39 ? 366 ASP A OD2 1 ATOM 942 H H A ASP A 1 60 ? -19.669 -13.513 -5.125 0.64 28.44 ? 366 ASP A H 1 ATOM 943 H H B ASP A 1 60 ? -19.690 -13.520 -5.119 0.36 28.58 ? 366 ASP A H 1 ATOM 944 H HA A ASP A 1 60 ? -19.351 -11.688 -7.087 0.64 32.05 ? 366 ASP A HA 1 ATOM 945 H HA B ASP A 1 60 ? -19.357 -11.637 -7.015 0.36 32.10 ? 366 ASP A HA 1 ATOM 946 H HB2 A ASP A 1 60 ? -19.744 -10.827 -4.929 0.64 35.85 ? 366 ASP A HB2 1 ATOM 947 H HB2 B ASP A 1 60 ? -18.853 -11.664 -4.262 0.36 35.71 ? 366 ASP A HB2 1 ATOM 948 H HB3 A ASP A 1 60 ? -18.391 -11.501 -4.433 0.64 35.85 ? 366 ASP A HB3 1 ATOM 949 H HB3 B ASP A 1 60 ? -18.032 -10.641 -5.158 0.36 35.71 ? 366 ASP A HB3 1 ATOM 950 N N . SER A 1 61 ? -16.987 -13.539 -6.043 1.00 22.65 ? 367 SER A N 1 ATOM 951 C CA . SER A 1 61 ? -15.625 -13.973 -6.312 1.00 18.94 ? 367 SER A CA 1 ATOM 952 C C . SER A 1 61 ? -15.463 -15.420 -5.852 1.00 22.08 ? 367 SER A C 1 ATOM 953 O O . SER A 1 61 ? -15.958 -15.788 -4.780 1.00 21.11 ? 367 SER A O 1 ATOM 954 C CB . SER A 1 61 ? -14.653 -13.070 -5.547 1.00 32.95 ? 367 SER A CB 1 ATOM 955 O OG . SER A 1 61 ? -13.329 -13.533 -5.633 1.00 50.43 ? 367 SER A OG 1 ATOM 956 H H . SER A 1 61 ? -17.379 -13.987 -5.423 1.00 27.18 ? 367 SER A H 1 ATOM 957 H HA . SER A 1 61 ? -15.436 -13.916 -7.261 1.00 22.73 ? 367 SER A HA 1 ATOM 958 H HB2 . SER A 1 61 ? -14.697 -12.177 -5.922 1.00 39.54 ? 367 SER A HB2 1 ATOM 959 H HB3 . SER A 1 61 ? -14.916 -13.048 -4.614 1.00 39.54 ? 367 SER A HB3 1 ATOM 960 H HG . SER A 1 61 ? -12.817 -13.021 -5.207 1.00 60.51 ? 367 SER A HG 1 ATOM 961 N N . PHE A 1 62 ? -14.668 -16.185 -6.589 1.00 21.04 ? 368 PHE A N 1 ATOM 962 C CA . PHE A 1 62 ? -14.367 -17.568 -6.243 1.00 24.13 ? 368 PHE A CA 1 ATOM 963 C C . PHE A 1 62 ? -12.958 -17.862 -6.720 1.00 31.65 ? 368 PHE A C 1 ATOM 964 O O . PHE A 1 62 ? -12.644 -17.634 -7.888 1.00 29.00 ? 368 PHE A O 1 ATOM 965 C CB . PHE A 1 62 ? -15.362 -18.540 -6.887 1.00 19.64 ? 368 PHE A CB 1 ATOM 966 C CG . PHE A 1 62 ? -15.113 -19.966 -6.559 1.00 25.94 ? 368 PHE A CG 1 ATOM 967 C CD1 . PHE A 1 62 ? -15.444 -20.466 -5.302 1.00 26.23 ? 368 PHE A CD1 1 ATOM 968 C CD2 . PHE A 1 62 ? -14.553 -20.828 -7.497 1.00 29.78 ? 368 PHE A CD2 1 ATOM 969 C CE1 . PHE A 1 62 ? -15.246 -21.810 -4.998 1.00 25.26 ? 368 PHE A CE1 1 ATOM 970 C CE2 . PHE A 1 62 ? -14.326 -22.168 -7.174 1.00 27.76 ? 368 PHE A CE2 1 ATOM 971 C CZ . PHE A 1 62 ? -14.671 -22.643 -5.922 1.00 30.09 ? 368 PHE A CZ 1 ATOM 972 H H . PHE A 1 62 ? -14.283 -15.920 -7.311 1.00 25.25 ? 368 PHE A H 1 ATOM 973 H HA . PHE A 1 62 ? -14.400 -17.680 -5.280 1.00 28.95 ? 368 PHE A HA 1 ATOM 974 H HB2 . PHE A 1 62 ? -16.255 -18.318 -6.582 1.00 23.57 ? 368 PHE A HB2 1 ATOM 975 H HB3 . PHE A 1 62 ? -15.311 -18.445 -7.851 1.00 23.57 ? 368 PHE A HB3 1 ATOM 976 H HD1 . PHE A 1 62 ? -15.833 -19.904 -4.671 1.00 31.48 ? 368 PHE A HD1 1 ATOM 977 H HD2 . PHE A 1 62 ? -14.318 -20.508 -8.338 1.00 35.73 ? 368 PHE A HD2 1 ATOM 978 H HE1 . PHE A 1 62 ? -15.464 -22.132 -4.153 1.00 30.32 ? 368 PHE A HE1 1 ATOM 979 H HE2 . PHE A 1 62 ? -13.951 -22.742 -7.803 1.00 33.31 ? 368 PHE A HE2 1 ATOM 980 H HZ . PHE A 1 62 ? -14.529 -23.538 -5.711 1.00 36.11 ? 368 PHE A HZ 1 ATOM 981 N N . SER A 1 63 ? -12.104 -18.337 -5.824 1.00 22.09 ? 369 SER A N 1 ATOM 982 C CA . SER A 1 63 ? -10.773 -18.735 -6.247 1.00 25.59 ? 369 SER A CA 1 ATOM 983 C C . SER A 1 63 ? -10.250 -19.815 -5.320 1.00 25.93 ? 369 SER A C 1 ATOM 984 O O . SER A 1 63 ? -10.752 -20.003 -4.198 1.00 22.80 ? 369 SER A O 1 ATOM 985 C CB . SER A 1 63 ? -9.816 -17.538 -6.276 1.00 30.13 ? 369 SER A CB 1 ATOM 986 O OG . SER A 1 63 ? -9.520 -17.092 -4.978 1.00 28.76 ? 369 SER A OG 1 ATOM 987 H H . SER A 1 63 ? -12.265 -18.436 -4.985 1.00 26.51 ? 369 SER A H 1 ATOM 988 H HA . SER A 1 63 ? -10.821 -19.104 -7.143 1.00 30.71 ? 369 SER A HA 1 ATOM 989 H HB2 . SER A 1 63 ? -8.992 -17.805 -6.713 1.00 36.15 ? 369 SER A HB2 1 ATOM 990 H HB3 . SER A 1 63 ? -10.233 -16.815 -6.770 1.00 36.15 ? 369 SER A HB3 1 ATOM 991 H HG . SER A 1 63 ? -8.996 -16.436 -5.013 1.00 34.51 ? 369 SER A HG 1 ATOM 992 N N . CYS A 1 64 ? -9.199 -20.494 -5.772 1.00 21.10 ? 370 CYS A N 1 ATOM 993 C CA . CYS A 1 64 ? -8.679 -21.647 -5.044 1.00 23.83 ? 370 CYS A CA 1 ATOM 994 C C . CYS A 1 64 ? -7.207 -21.456 -4.724 1.00 28.69 ? 370 CYS A C 1 ATOM 995 O O . CYS A 1 64 ? -6.492 -20.716 -5.407 1.00 26.65 ? 370 CYS A O 1 ATOM 996 C CB . CYS A 1 64 ? -8.891 -22.933 -5.815 1.00 23.19 ? 370 CYS A CB 1 ATOM 997 S SG . CYS A 1 64 ? -10.638 -23.244 -6.139 1.00 28.99 ? 370 CYS A SG 1 ATOM 998 H H . CYS A 1 64 ? -8.771 -20.309 -6.494 1.00 25.32 ? 370 CYS A H 1 ATOM 999 H HA . CYS A 1 64 ? -9.156 -21.725 -4.203 1.00 28.60 ? 370 CYS A HA 1 ATOM 1000 H HB2 . CYS A 1 64 ? -8.431 -22.874 -6.667 1.00 27.83 ? 370 CYS A HB2 1 ATOM 1001 H HB3 . CYS A 1 64 ? -8.542 -23.676 -5.298 1.00 27.83 ? 370 CYS A HB3 1 ATOM 1002 N N . ASN A 1 65 ? -6.791 -22.099 -3.630 1.00 24.33 ? 371 ASN A N 1 ATOM 1003 C CA . ASN A 1 65 ? -5.430 -22.063 -3.126 1.00 24.04 ? 371 ASN A CA 1 ATOM 1004 C C . ASN A 1 65 ? -4.910 -23.491 -3.029 1.00 26.39 ? 371 ASN A C 1 ATOM 1005 O O . ASN A 1 65 ? -5.606 -24.376 -2.524 1.00 26.53 ? 371 ASN A O 1 ATOM 1006 C CB . ASN A 1 65 ? -5.384 -21.387 -1.752 1.00 23.81 ? 371 ASN A CB 1 ATOM 1007 C CG . ASN A 1 65 ? -3.979 -21.205 -1.234 1.00 30.12 ? 371 ASN A CG 1 ATOM 1008 O OD1 . ASN A 1 65 ? -3.142 -20.566 -1.867 1.00 27.56 ? 371 ASN A OD1 1 ATOM 1009 N ND2 . ASN A 1 65 ? -3.720 -21.741 -0.061 1.00 29.21 ? 371 ASN A ND2 1 ATOM 1010 H H . ASN A 1 65 ? -7.311 -22.585 -3.147 1.00 29.20 ? 371 ASN A H 1 ATOM 1011 H HA . ASN A 1 65 ? -4.865 -21.565 -3.738 1.00 28.85 ? 371 ASN A HA 1 ATOM 1012 H HB2 . ASN A 1 65 ? -5.795 -20.511 -1.818 1.00 28.58 ? 371 ASN A HB2 1 ATOM 1013 H HB3 . ASN A 1 65 ? -5.870 -21.934 -1.115 1.00 28.58 ? 371 ASN A HB3 1 ATOM 1014 H HD21 . ASN A 1 65 ? -2.935 -21.667 0.282 1.00 35.06 ? 371 ASN A HD21 1 ATOM 1015 H HD22 . ASN A 1 65 ? -4.336 -22.165 0.363 1.00 35.06 ? 371 ASN A HD22 1 ATOM 1016 N N . ASN A 1 66 ? -3.674 -23.707 -3.479 1.00 27.07 ? 372 ASN A N 1 ATOM 1017 C CA . ASN A 1 66 ? -3.097 -25.044 -3.581 1.00 29.40 ? 372 ASN A CA 1 ATOM 1018 C C . ASN A 1 66 ? -3.978 -25.966 -4.409 1.00 29.70 ? 372 ASN A C 1 ATOM 1019 O O . ASN A 1 66 ? -4.066 -27.154 -4.120 1.00 28.98 ? 372 ASN A O 1 ATOM 1020 C CB . ASN A 1 66 ? -2.865 -25.672 -2.203 1.00 28.91 ? 372 ASN A CB 1 ATOM 1021 C CG . ASN A 1 66 ? -1.860 -24.933 -1.402 1.00 30.39 ? 372 ASN A CG 1 ATOM 1022 O OD1 . ASN A 1 66 ? -0.910 -24.368 -1.944 1.00 35.81 ? 372 ASN A OD1 1 ATOM 1023 N ND2 . ASN A 1 66 ? -2.078 -24.877 -0.100 1.00 31.41 ? 372 ASN A ND2 1 ATOM 1024 H H . ASN A 1 66 ? -3.141 -23.083 -3.735 1.00 32.48 ? 372 ASN A H 1 ATOM 1025 H HA . ASN A 1 66 ? -2.238 -24.978 -4.026 1.00 35.28 ? 372 ASN A HA 1 ATOM 1026 H HB2 . ASN A 1 66 ? -3.701 -25.673 -1.711 1.00 34.70 ? 372 ASN A HB2 1 ATOM 1027 H HB3 . ASN A 1 66 ? -2.547 -26.581 -2.320 1.00 34.70 ? 372 ASN A HB3 1 ATOM 1028 H HD21 . ASN A 1 66 ? -1.526 -24.460 0.411 1.00 37.69 ? 372 ASN A HD21 1 ATOM 1029 H HD22 . ASN A 1 66 ? -2.773 -25.257 0.236 1.00 37.69 ? 372 ASN A HD22 1 ATOM 1030 N N . PHE A 1 67 ? -4.655 -25.437 -5.420 1.00 27.71 ? 373 PHE A N 1 ATOM 1031 C CA . PHE A 1 67 ? -5.528 -26.248 -6.259 1.00 32.31 ? 373 PHE A CA 1 ATOM 1032 C C . PHE A 1 67 ? -5.914 -25.415 -7.463 1.00 31.84 ? 373 PHE A C 1 ATOM 1033 O O . PHE A 1 67 ? -5.979 -24.185 -7.382 1.00 28.24 ? 373 PHE A O 1 ATOM 1034 C CB . PHE A 1 67 ? -6.790 -26.708 -5.509 1.00 26.98 ? 373 PHE A CB 1 ATOM 1035 C CG . PHE A 1 67 ? -7.459 -27.909 -6.124 1.00 28.62 ? 373 PHE A CG 1 ATOM 1036 C CD1 . PHE A 1 67 ? -7.033 -29.186 -5.826 1.00 35.96 ? 373 PHE A CD1 1 ATOM 1037 C CD2 . PHE A 1 67 ? -8.528 -27.756 -6.986 1.00 36.89 ? 373 PHE A CD2 1 ATOM 1038 C CE1 . PHE A 1 67 ? -7.646 -30.286 -6.395 1.00 45.58 ? 373 PHE A CE1 1 ATOM 1039 C CE2 . PHE A 1 67 ? -9.142 -28.848 -7.560 1.00 33.29 ? 373 PHE A CE2 1 ATOM 1040 C CZ . PHE A 1 67 ? -8.705 -30.118 -7.260 1.00 40.13 ? 373 PHE A CZ 1 ATOM 1041 H H . PHE A 1 67 ? -4.626 -24.606 -5.642 1.00 33.26 ? 373 PHE A H 1 ATOM 1042 H HA . PHE A 1 67 ? -5.047 -27.033 -6.566 1.00 38.77 ? 373 PHE A HA 1 ATOM 1043 H HB2 . PHE A 1 67 ? -6.546 -26.937 -4.599 1.00 32.38 ? 373 PHE A HB2 1 ATOM 1044 H HB3 . PHE A 1 67 ? -7.432 -25.981 -5.504 1.00 32.38 ? 373 PHE A HB3 1 ATOM 1045 H HD1 . PHE A 1 67 ? -6.316 -29.308 -5.247 1.00 43.15 ? 373 PHE A HD1 1 ATOM 1046 H HD2 . PHE A 1 67 ? -8.826 -26.901 -7.197 1.00 44.27 ? 373 PHE A HD2 1 ATOM 1047 H HE1 . PHE A 1 67 ? -7.347 -31.142 -6.189 1.00 54.69 ? 373 PHE A HE1 1 ATOM 1048 H HE2 . PHE A 1 67 ? -9.859 -28.727 -8.140 1.00 39.95 ? 373 PHE A HE2 1 ATOM 1049 H HZ . PHE A 1 67 ? -9.121 -30.858 -7.640 1.00 48.15 ? 373 PHE A HZ 1 ATOM 1050 N N . ASP A 1 68 ? -6.156 -26.094 -8.576 1.00 32.53 ? 374 ASP A N 1 ATOM 1051 C CA . ASP A 1 68 ? -6.564 -25.459 -9.829 1.00 31.15 ? 374 ASP A CA 1 ATOM 1052 C C . ASP A 1 68 ? -8.087 -25.515 -9.908 1.00 31.92 ? 374 ASP A C 1 ATOM 1053 O O . ASP A 1 68 ? -8.672 -26.592 -10.073 1.00 29.20 ? 374 ASP A O 1 ATOM 1054 C CB . ASP A 1 68 ? -5.896 -26.173 -11.007 1.00 37.24 ? 374 ASP A CB 1 ATOM 1055 C CG . ASP A 1 68 ? -6.394 -25.701 -12.358 1.00 41.24 ? 374 ASP A CG 1 ATOM 1056 O OD1 . ASP A 1 68 ? -7.093 -24.668 -12.432 1.00 45.56 ? 374 ASP A OD1 1 ATOM 1057 O OD2 . ASP A 1 68 ? -6.051 -26.364 -13.364 1.00 57.37 ? 374 ASP A OD2 1 ATOM 1058 H H . ASP A 1 68 ? -6.090 -26.950 -8.635 1.00 39.04 ? 374 ASP A H 1 ATOM 1059 H HA . ASP A 1 68 ? -6.286 -24.530 -9.831 1.00 37.38 ? 374 ASP A HA 1 ATOM 1060 H HB2 . ASP A 1 68 ? -4.940 -26.014 -10.970 1.00 44.69 ? 374 ASP A HB2 1 ATOM 1061 H HB3 . ASP A 1 68 ? -6.075 -27.124 -10.940 1.00 44.69 ? 374 ASP A HB3 1 ATOM 1062 N N . GLU A 1 69 ? -8.729 -24.348 -9.803 1.00 27.83 ? 375 GLU A N 1 ATOM 1063 C CA A GLU A 1 69 ? -10.187 -24.305 -9.804 0.29 30.96 ? 375 GLU A CA 1 ATOM 1064 C CA B GLU A 1 69 ? -10.190 -24.293 -9.811 0.71 30.99 ? 375 GLU A CA 1 ATOM 1065 C C . GLU A 1 69 ? -10.758 -25.027 -11.015 1.00 26.34 ? 375 GLU A C 1 ATOM 1066 O O . GLU A 1 69 ? -11.792 -25.701 -10.915 1.00 29.21 ? 375 GLU A O 1 ATOM 1067 C CB A GLU A 1 69 ? -10.678 -22.857 -9.759 0.29 29.23 ? 375 GLU A CB 1 ATOM 1068 C CB B GLU A 1 69 ? -10.652 -22.829 -9.807 0.71 29.17 ? 375 GLU A CB 1 ATOM 1069 C CG A GLU A 1 69 ? -10.029 -21.920 -10.756 0.29 30.31 ? 375 GLU A CG 1 ATOM 1070 C CG B GLU A 1 69 ? -12.108 -22.544 -10.229 0.71 27.55 ? 375 GLU A CG 1 ATOM 1071 C CD A GLU A 1 69 ? -10.425 -20.482 -10.502 0.29 32.01 ? 375 GLU A CD 1 ATOM 1072 C CD B GLU A 1 69 ? -12.392 -21.038 -10.304 0.71 31.82 ? 375 GLU A CD 1 ATOM 1073 O OE1 A GLU A 1 69 ? -11.646 -20.207 -10.469 0.29 31.30 ? 375 GLU A OE1 1 ATOM 1074 O OE1 B GLU A 1 69 ? -11.501 -20.253 -9.915 0.71 33.31 ? 375 GLU A OE1 1 ATOM 1075 O OE2 A GLU A 1 69 ? -9.522 -19.637 -10.304 0.29 27.69 ? 375 GLU A OE2 1 ATOM 1076 O OE2 B GLU A 1 69 ? -13.490 -20.624 -10.743 0.71 27.46 ? 375 GLU A OE2 1 ATOM 1077 H H . GLU A 1 69 ? -8.349 -23.580 -9.729 1.00 33.39 ? 375 GLU A H 1 ATOM 1078 H HA . GLU A 1 69 ? -10.522 -24.737 -9.009 1.00 37.19 ? 375 GLU A HA 1 ATOM 1079 H HB2 A GLU A 1 69 ? -11.632 -22.851 -9.933 0.29 35.07 ? 375 GLU A HB2 1 ATOM 1080 H HB2 B GLU A 1 69 ? -10.544 -22.483 -8.907 0.71 35.01 ? 375 GLU A HB2 1 ATOM 1081 H HB3 A GLU A 1 69 ? -10.508 -22.503 -8.873 0.29 35.07 ? 375 GLU A HB3 1 ATOM 1082 H HB3 B GLU A 1 69 ? -10.079 -22.331 -10.410 0.71 35.01 ? 375 GLU A HB3 1 ATOM 1083 H HG2 A GLU A 1 69 ? -9.064 -21.988 -10.678 0.29 36.37 ? 375 GLU A HG2 1 ATOM 1084 H HG2 B GLU A 1 69 ? -12.267 -22.926 -11.106 0.71 33.06 ? 375 GLU A HG2 1 ATOM 1085 H HG3 A GLU A 1 69 ? -10.312 -22.159 -11.652 0.29 36.37 ? 375 GLU A HG3 1 ATOM 1086 H HG3 B GLU A 1 69 ? -12.712 -22.935 -9.579 0.71 33.06 ? 375 GLU A HG3 1 ATOM 1087 N N . SER A 1 70 ? -10.091 -24.913 -12.166 1.00 30.83 ? 376 SER A N 1 ATOM 1088 C CA . SER A 1 70 ? -10.601 -25.555 -13.371 1.00 30.30 ? 376 SER A CA 1 ATOM 1089 C C . SER A 1 70 ? -10.604 -27.070 -13.241 1.00 33.80 ? 376 SER A C 1 ATOM 1090 O O . SER A 1 70 ? -11.333 -27.738 -13.970 1.00 37.26 ? 376 SER A O 1 ATOM 1091 C CB . SER A 1 70 ? -9.774 -25.124 -14.595 1.00 29.85 ? 376 SER A CB 1 ATOM 1092 O OG . SER A 1 70 ? -8.521 -25.777 -14.577 1.00 40.11 ? 376 SER A OG 1 ATOM 1093 H H . SER A 1 70 ? -9.356 -24.479 -12.271 1.00 37.00 ? 376 SER A H 1 ATOM 1094 H HA . SER A 1 70 ? -11.516 -25.268 -13.515 1.00 36.36 ? 376 SER A HA 1 ATOM 1095 H HB2 . SER A 1 70 ? -10.250 -25.369 -15.404 1.00 35.82 ? 376 SER A HB2 1 ATOM 1096 H HB3 . SER A 1 70 ? -9.635 -24.165 -14.565 1.00 35.82 ? 376 SER A HB3 1 ATOM 1097 H HG . SER A 1 70 ? -8.066 -25.545 -15.243 1.00 48.14 ? 376 SER A HG 1 ATOM 1098 N N . LYS A 1 71 ? -9.822 -27.627 -12.319 1.00 30.14 ? 377 LYS A N 1 ATOM 1099 C CA . LYS A 1 71 ? -9.751 -29.069 -12.139 1.00 34.17 ? 377 LYS A CA 1 ATOM 1100 C C . LYS A 1 71 ? -10.878 -29.623 -11.267 1.00 36.68 ? 377 LYS A C 1 ATOM 1101 O O . LYS A 1 71 ? -11.035 -30.845 -11.200 1.00 31.14 ? 377 LYS A O 1 ATOM 1102 C CB . LYS A 1 71 ? -8.393 -29.432 -11.538 1.00 38.78 ? 377 LYS A CB 1 ATOM 1103 C CG . LYS A 1 71 ? -7.562 -30.389 -12.355 1.00 49.41 ? 377 LYS A CG 1 ATOM 1104 C CD . LYS A 1 71 ? -7.032 -29.773 -13.640 1.00 60.95 ? 377 LYS A CD 1 ATOM 1105 C CE . LYS A 1 71 ? -6.039 -30.711 -14.353 1.00 56.11 ? 377 LYS A CE 1 ATOM 1106 N NZ . LYS A 1 71 ? -6.639 -32.044 -14.653 1.00 74.39 ? 377 LYS A NZ 1 ATOM 1107 H H . LYS A 1 71 ? -9.320 -27.184 -11.779 1.00 36.17 ? 377 LYS A H 1 ATOM 1108 H HA . LYS A 1 71 ? -9.813 -29.495 -13.009 1.00 41.01 ? 377 LYS A HA 1 ATOM 1109 H HB2 . LYS A 1 71 ? -7.878 -28.617 -11.429 1.00 46.54 ? 377 LYS A HB2 1 ATOM 1110 H HB3 . LYS A 1 71 ? -8.540 -29.840 -10.671 1.00 46.54 ? 377 LYS A HB3 1 ATOM 1111 H HG2 . LYS A 1 71 ? -6.801 -30.675 -11.825 1.00 59.30 ? 377 LYS A HG2 1 ATOM 1112 H HG3 . LYS A 1 71 ? -8.107 -31.155 -12.593 1.00 59.30 ? 377 LYS A HG3 1 ATOM 1113 H HD2 . LYS A 1 71 ? -7.773 -29.602 -14.242 1.00 73.14 ? 377 LYS A HD2 1 ATOM 1114 H HD3 . LYS A 1 71 ? -6.572 -28.945 -13.432 1.00 73.14 ? 377 LYS A HD3 1 ATOM 1115 H HE2 . LYS A 1 71 ? -5.766 -30.307 -15.192 1.00 67.33 ? 377 LYS A HE2 1 ATOM 1116 H HE3 . LYS A 1 71 ? -5.266 -30.849 -13.783 1.00 67.33 ? 377 LYS A HE3 1 ATOM 1117 H HZ1 . LYS A 1 71 ? -6.042 -32.561 -15.063 1.00 89.27 ? 377 LYS A HZ1 1 ATOM 1118 H HZ2 . LYS A 1 71 ? -6.893 -32.439 -13.897 1.00 89.27 ? 377 LYS A HZ2 1 ATOM 1119 H HZ3 . LYS A 1 71 ? -7.349 -31.946 -15.181 1.00 89.27 ? 377 LYS A HZ3 1 ATOM 1120 N N . ILE A 1 72 ? -11.683 -28.768 -10.620 1.00 24.50 ? 378 ILE A N 1 ATOM 1121 C CA . ILE A 1 72 ? -12.793 -29.269 -9.805 1.00 31.55 ? 378 ILE A CA 1 ATOM 1122 C C . ILE A 1 72 ? -13.814 -29.975 -10.691 1.00 29.86 ? 378 ILE A C 1 ATOM 1123 O O . ILE A 1 72 ? -14.285 -31.072 -10.377 1.00 26.59 ? 378 ILE A O 1 ATOM 1124 C CB . ILE A 1 72 ? -13.453 -28.124 -9.007 1.00 27.52 ? 378 ILE A CB 1 ATOM 1125 C CG1 . ILE A 1 72 ? -12.466 -27.520 -8.012 1.00 31.06 ? 378 ILE A CG1 1 ATOM 1126 C CG2 . ILE A 1 72 ? -14.680 -28.657 -8.263 1.00 26.70 ? 378 ILE A CG2 1 ATOM 1127 C CD1 . ILE A 1 72 ? -12.955 -26.243 -7.367 1.00 29.18 ? 378 ILE A CD1 1 ATOM 1128 H H . ILE A 1 72 ? -11.608 -27.912 -10.636 1.00 29.40 ? 378 ILE A H 1 ATOM 1129 H HA . ILE A 1 72 ? -12.450 -29.917 -9.170 1.00 37.86 ? 378 ILE A HA 1 ATOM 1130 H HB . ILE A 1 72 ? -13.737 -27.433 -9.626 1.00 33.02 ? 378 ILE A HB 1 ATOM 1131 H HG12 . ILE A 1 72 ? -12.301 -28.165 -7.306 1.00 37.27 ? 378 ILE A HG12 1 ATOM 1132 H HG13 . ILE A 1 72 ? -11.638 -27.321 -8.475 1.00 37.27 ? 378 ILE A HG13 1 ATOM 1133 H HG21 . ILE A 1 72 ? -15.087 -27.931 -7.765 1.00 32.04 ? 378 ILE A HG21 1 ATOM 1134 H HG22 . ILE A 1 72 ? -15.312 -29.011 -8.909 1.00 32.04 ? 378 ILE A HG22 1 ATOM 1135 H HG23 . ILE A 1 72 ? -14.400 -29.359 -7.655 1.00 32.04 ? 378 ILE A HG23 1 ATOM 1136 H HD11 . ILE A 1 72 ? -12.278 -25.921 -6.751 1.00 35.01 ? 378 ILE A HD11 1 ATOM 1137 H HD12 . ILE A 1 72 ? -13.114 -25.581 -8.059 1.00 35.01 ? 378 ILE A HD12 1 ATOM 1138 H HD13 . ILE A 1 72 ? -13.778 -26.426 -6.888 1.00 35.01 ? 378 ILE A HD13 1 ATOM 1139 N N . TYR A 1 73 ? -14.172 -29.342 -11.807 1.00 29.38 ? 379 TYR A N 1 ATOM 1140 C CA . TYR A 1 73 ? -15.188 -29.857 -12.712 1.00 32.10 ? 379 TYR A CA 1 ATOM 1141 C C . TYR A 1 73 ? -14.869 -31.300 -13.098 1.00 33.25 ? 379 TYR A C 1 ATOM 1142 O O . TYR A 1 73 ? -13.754 -31.613 -13.523 1.00 27.07 ? 379 TYR A O 1 ATOM 1143 C CB . TYR A 1 73 ? -15.263 -28.957 -13.960 1.00 27.17 ? 379 TYR A CB 1 ATOM 1144 C CG . TYR A 1 73 ? -15.526 -27.498 -13.611 1.00 37.34 ? 379 TYR A CG 1 ATOM 1145 C CD1 . TYR A 1 73 ? -16.819 -27.050 -13.340 1.00 35.23 ? 379 TYR A CD1 1 ATOM 1146 C CD2 . TYR A 1 73 ? -14.483 -26.578 -13.513 1.00 36.11 ? 379 TYR A CD2 1 ATOM 1147 C CE1 . TYR A 1 73 ? -17.066 -25.730 -12.988 1.00 40.09 ? 379 TYR A CE1 1 ATOM 1148 C CE2 . TYR A 1 73 ? -14.729 -25.238 -13.177 1.00 38.18 ? 379 TYR A CE2 1 ATOM 1149 C CZ . TYR A 1 73 ? -16.023 -24.828 -12.923 1.00 39.51 ? 379 TYR A CZ 1 ATOM 1150 O OH . TYR A 1 73 ? -16.286 -23.520 -12.569 1.00 45.86 ? 379 TYR A OH 1 ATOM 1151 H H . TYR A 1 73 ? -13.831 -28.596 -12.064 1.00 35.25 ? 379 TYR A H 1 ATOM 1152 H HA . TYR A 1 73 ? -16.051 -29.842 -12.270 1.00 38.52 ? 379 TYR A HA 1 ATOM 1153 H HB2 . TYR A 1 73 ? -14.419 -29.005 -14.436 1.00 32.60 ? 379 TYR A HB2 1 ATOM 1154 H HB3 . TYR A 1 73 ? -15.984 -29.265 -14.530 1.00 32.60 ? 379 TYR A HB3 1 ATOM 1155 H HD1 . TYR A 1 73 ? -17.528 -27.650 -13.385 1.00 42.27 ? 379 TYR A HD1 1 ATOM 1156 H HD2 . TYR A 1 73 ? -13.612 -26.853 -13.689 1.00 43.34 ? 379 TYR A HD2 1 ATOM 1157 H HE1 . TYR A 1 73 ? -17.937 -25.448 -12.819 1.00 48.11 ? 379 TYR A HE1 1 ATOM 1158 H HE2 . TYR A 1 73 ? -14.025 -24.633 -13.119 1.00 45.81 ? 379 TYR A HE2 1 ATOM 1159 H HH . TYR A 1 73 ? -15.574 -23.074 -12.565 1.00 55.03 ? 379 TYR A HH 1 ATOM 1160 N N . GLY A 1 74 ? -15.835 -32.186 -12.892 1.00 30.83 ? 380 GLY A N 1 ATOM 1161 C CA . GLY A 1 74 ? -15.654 -33.588 -13.232 1.00 28.17 ? 380 GLY A CA 1 ATOM 1162 C C . GLY A 1 74 ? -14.878 -34.428 -12.245 1.00 33.14 ? 380 GLY A C 1 ATOM 1163 O O . GLY A 1 74 ? -14.728 -35.637 -12.486 1.00 30.84 ? 380 GLY A O 1 ATOM 1164 H H . GLY A 1 74 ? -16.605 -32.000 -12.557 1.00 36.99 ? 380 GLY A H 1 ATOM 1165 H HA2 . GLY A 1 74 ? -16.528 -33.995 -13.339 1.00 33.80 ? 380 GLY A HA2 1 ATOM 1166 H HA3 . GLY A 1 74 ? -15.197 -33.642 -14.085 1.00 33.80 ? 380 GLY A HA3 1 ATOM 1167 N N . SER A 1 75 ? -14.395 -33.856 -11.140 1.00 26.42 ? 381 SER A N 1 ATOM 1168 C CA . SER A 1 75 ? -13.562 -34.575 -10.183 1.00 29.72 ? 381 SER A CA 1 ATOM 1169 C C . SER A 1 75 ? -14.372 -35.126 -9.013 1.00 24.32 ? 381 SER A C 1 ATOM 1170 O O . SER A 1 75 ? -15.510 -34.717 -8.759 1.00 26.57 ? 381 SER A O 1 ATOM 1171 C CB . SER A 1 75 ? -12.449 -33.673 -9.648 1.00 32.64 ? 381 SER A CB 1 ATOM 1172 O OG . SER A 1 75 ? -11.556 -33.331 -10.684 1.00 37.27 ? 381 SER A OG 1 ATOM 1173 H H . SER A 1 75 ? -14.540 -33.037 -10.921 1.00 31.71 ? 381 SER A H 1 ATOM 1174 H HA . SER A 1 75 ? -13.145 -35.326 -10.635 1.00 35.67 ? 381 SER A HA 1 ATOM 1175 H HB2 . SER A 1 75 ? -12.842 -32.862 -9.288 1.00 39.17 ? 381 SER A HB2 1 ATOM 1176 H HB3 . SER A 1 75 ? -11.964 -34.145 -8.953 1.00 39.17 ? 381 SER A HB3 1 ATOM 1177 H HG . SER A 1 75 ? -10.946 -32.836 -10.386 1.00 44.72 ? 381 SER A HG 1 ATOM 1178 N N . CYS A 1 76 ? -13.760 -36.102 -8.328 1.00 24.00 ? 382 CYS A N 1 ATOM 1179 C CA . CYS A 1 76 ? -14.260 -36.728 -7.111 1.00 21.58 ? 382 CYS A CA 1 ATOM 1180 C C . CYS A 1 76 ? -13.325 -36.432 -5.953 1.00 25.87 ? 382 CYS A C 1 ATOM 1181 O O . CYS A 1 76 ? -12.103 -36.392 -6.113 1.00 25.95 ? 382 CYS A O 1 ATOM 1182 C CB . CYS A 1 76 ? -14.386 -38.266 -7.257 1.00 31.37 ? 382 CYS A CB 1 ATOM 1183 S SG . CYS A 1 76 ? -15.586 -38.812 -8.502 1.00 34.65 ? 382 CYS A SG 1 ATOM 1184 H H . CYS A 1 76 ? -13.004 -36.431 -8.573 1.00 28.80 ? 382 CYS A H 1 ATOM 1185 H HA . CYS A 1 76 ? -15.135 -36.368 -6.899 1.00 25.90 ? 382 CYS A HA 1 ATOM 1186 H HB2 . CYS A 1 76 ? -13.520 -38.625 -7.507 1.00 37.65 ? 382 CYS A HB2 1 ATOM 1187 H HB3 . CYS A 1 76 ? -14.659 -38.637 -6.404 1.00 37.65 ? 382 CYS A HB3 1 ATOM 1188 N N . PHE A 1 77 ? -13.921 -36.280 -4.770 1.00 23.18 ? 383 PHE A N 1 ATOM 1189 C CA . PHE A 1 77 ? -13.216 -36.005 -3.538 1.00 25.40 ? 383 PHE A CA 1 ATOM 1190 C C . PHE A 1 77 ? -13.751 -36.924 -2.454 1.00 19.25 ? 383 PHE A C 1 ATOM 1191 O O . PHE A 1 77 ? -14.902 -37.355 -2.510 1.00 25.10 ? 383 PHE A O 1 ATOM 1192 C CB . PHE A 1 77 ? -13.424 -34.512 -3.109 1.00 26.66 ? 383 PHE A CB 1 ATOM 1193 C CG . PHE A 1 77 ? -12.990 -33.528 -4.151 1.00 20.54 ? 383 PHE A CG 1 ATOM 1194 C CD1 . PHE A 1 77 ? -13.855 -33.121 -5.139 1.00 25.17 ? 383 PHE A CD1 1 ATOM 1195 C CD2 . PHE A 1 77 ? -11.697 -33.055 -4.162 1.00 22.41 ? 383 PHE A CD2 1 ATOM 1196 C CE1 . PHE A 1 77 ? -13.437 -32.231 -6.122 1.00 33.71 ? 383 PHE A CE1 1 ATOM 1197 C CE2 . PHE A 1 77 ? -11.282 -32.162 -5.116 1.00 28.31 ? 383 PHE A CE2 1 ATOM 1198 C CZ . PHE A 1 77 ? -12.151 -31.750 -6.102 1.00 28.41 ? 383 PHE A CZ 1 ATOM 1199 H H . PHE A 1 77 ? -14.772 -36.336 -4.663 1.00 27.82 ? 383 PHE A H 1 ATOM 1200 H HA . PHE A 1 77 ? -12.267 -36.172 -3.653 1.00 30.48 ? 383 PHE A HA 1 ATOM 1201 H HB2 . PHE A 1 77 ? -14.366 -34.364 -2.933 1.00 31.99 ? 383 PHE A HB2 1 ATOM 1202 H HB3 . PHE A 1 77 ? -12.908 -34.342 -2.305 1.00 31.99 ? 383 PHE A HB3 1 ATOM 1203 H HD1 . PHE A 1 77 ? -14.727 -33.445 -5.152 1.00 30.20 ? 383 PHE A HD1 1 ATOM 1204 H HD2 . PHE A 1 77 ? -11.104 -33.326 -3.499 1.00 26.89 ? 383 PHE A HD2 1 ATOM 1205 H HE1 . PHE A 1 77 ? -14.031 -31.950 -6.781 1.00 40.45 ? 383 PHE A HE1 1 ATOM 1206 H HE2 . PHE A 1 77 ? -10.408 -31.845 -5.106 1.00 33.97 ? 383 PHE A HE2 1 ATOM 1207 H HZ . PHE A 1 77 ? -11.867 -31.150 -6.753 1.00 34.09 ? 383 PHE A HZ 1 ATOM 1208 N N . LYS A 1 78 ? -12.919 -37.201 -1.450 1.00 22.71 ? 384 LYS A N 1 ATOM 1209 C CA . LYS A 1 78 ? -13.402 -37.923 -0.280 1.00 27.36 ? 384 LYS A CA 1 ATOM 1210 C C . LYS A 1 78 ? -14.463 -37.124 0.455 1.00 24.91 ? 384 LYS A C 1 ATOM 1211 O O . LYS A 1 78 ? -15.458 -37.685 0.929 1.00 24.31 ? 384 LYS A O 1 ATOM 1212 C CB . LYS A 1 78 ? -12.260 -38.250 0.687 1.00 26.91 ? 384 LYS A CB 1 ATOM 1213 C CG . LYS A 1 78 ? -11.130 -39.094 0.147 1.00 53.32 ? 384 LYS A CG 1 ATOM 1214 C CD . LYS A 1 78 ? -11.564 -40.518 -0.272 1.00 62.83 ? 384 LYS A CD 1 ATOM 1215 C CE . LYS A 1 78 ? -11.983 -41.403 0.902 1.00 60.96 ? 384 LYS A CE 1 ATOM 1216 N NZ . LYS A 1 78 ? -12.325 -42.815 0.449 1.00 49.15 ? 384 LYS A NZ 1 ATOM 1217 H H . LYS A 1 78 ? -12.087 -36.986 -1.423 1.00 27.25 ? 384 LYS A H 1 ATOM 1218 H HA . LYS A 1 78 ? -13.801 -38.759 -0.567 1.00 32.83 ? 384 LYS A HA 1 ATOM 1219 H HB2 . LYS A 1 78 ? -11.873 -37.414 0.991 1.00 32.29 ? 384 LYS A HB2 1 ATOM 1220 H HB3 . LYS A 1 78 ? -12.634 -38.724 1.446 1.00 32.29 ? 384 LYS A HB3 1 ATOM 1221 H HG2 . LYS A 1 78 ? -10.758 -38.655 -0.634 1.00 63.98 ? 384 LYS A HG2 1 ATOM 1222 H HG3 . LYS A 1 78 ? -10.449 -39.180 0.832 1.00 63.98 ? 384 LYS A HG3 1 ATOM 1223 H HD2 . LYS A 1 78 ? -12.319 -40.450 -0.877 1.00 75.40 ? 384 LYS A HD2 1 ATOM 1224 H HD3 . LYS A 1 78 ? -10.821 -40.952 -0.720 1.00 75.40 ? 384 LYS A HD3 1 ATOM 1225 H HE2 . LYS A 1 78 ? -11.253 -41.456 1.539 1.00 73.15 ? 384 LYS A HE2 1 ATOM 1226 H HE3 . LYS A 1 78 ? -12.769 -41.021 1.325 1.00 73.15 ? 384 LYS A HE3 1 ATOM 1227 H HZ1 . LYS A 1 78 ? -12.565 -43.309 1.149 1.00 58.97 ? 384 LYS A HZ1 1 ATOM 1228 H HZ2 . LYS A 1 78 ? -12.997 -42.794 -0.134 1.00 58.97 ? 384 LYS A HZ2 1 ATOM 1229 H HZ3 . LYS A 1 78 ? -11.617 -43.190 0.061 1.00 58.97 ? 384 LYS A HZ3 1 ATOM 1230 N N . SER A 1 79 ? -14.234 -35.823 0.633 1.00 21.25 ? 385 SER A N 1 ATOM 1231 C CA . SER A 1 79 ? -15.227 -34.978 1.266 1.00 22.84 ? 385 SER A CA 1 ATOM 1232 C C . SER A 1 79 ? -14.908 -33.525 0.922 1.00 21.51 ? 385 SER A C 1 ATOM 1233 O O . SER A 1 79 ? -13.785 -33.187 0.535 1.00 22.58 ? 385 SER A O 1 ATOM 1234 C CB . SER A 1 79 ? -15.247 -35.190 2.782 1.00 23.50 ? 385 SER A CB 1 ATOM 1235 O OG . SER A 1 79 ? -14.052 -34.677 3.334 1.00 28.66 ? 385 SER A OG 1 ATOM 1236 H H . SER A 1 79 ? -13.516 -35.414 0.396 1.00 25.50 ? 385 SER A H 1 ATOM 1237 H HA . SER A 1 79 ? -16.106 -35.191 0.914 1.00 27.40 ? 385 SER A HA 1 ATOM 1238 H HB2 . SER A 1 79 ? -16.005 -34.719 3.163 1.00 28.20 ? 385 SER A HB2 1 ATOM 1239 H HB3 . SER A 1 79 ? -15.308 -36.139 2.973 1.00 28.20 ? 385 SER A HB3 1 ATOM 1240 H HG . SER A 1 79 ? -14.050 -34.787 4.167 1.00 34.39 ? 385 SER A HG 1 ATOM 1241 N N . ILE A 1 80 ? -15.928 -32.685 1.004 1.00 23.85 ? 386 ILE A N 1 ATOM 1242 C CA . ILE A 1 80 ? -15.768 -31.233 0.872 1.00 22.60 ? 386 ILE A CA 1 ATOM 1243 C C . ILE A 1 80 ? -16.273 -30.608 2.168 1.00 26.65 ? 386 ILE A C 1 ATOM 1244 O O . ILE A 1 80 ? -17.435 -30.796 2.547 1.00 25.20 ? 386 ILE A O 1 ATOM 1245 C CB . ILE A 1 80 ? -16.506 -30.683 -0.354 1.00 25.88 ? 386 ILE A CB 1 ATOM 1246 C CG1 . ILE A 1 80 ? -15.871 -31.255 -1.623 1.00 24.60 ? 386 ILE A CG1 1 ATOM 1247 C CG2 . ILE A 1 80 ? -16.429 -29.152 -0.397 1.00 27.41 ? 386 ILE A CG2 1 ATOM 1248 C CD1 . ILE A 1 80 ? -16.642 -30.980 -2.899 1.00 26.59 ? 386 ILE A CD1 1 ATOM 1249 H H . ILE A 1 80 ? -16.741 -32.930 1.138 1.00 28.62 ? 386 ILE A H 1 ATOM 1250 H HA . ILE A 1 80 ? -14.826 -31.022 0.779 1.00 27.12 ? 386 ILE A HA 1 ATOM 1251 H HB . ILE A 1 80 ? -17.437 -30.954 -0.314 1.00 31.05 ? 386 ILE A HB 1 ATOM 1252 H HG12 . ILE A 1 80 ? -14.986 -30.871 -1.726 1.00 29.52 ? 386 ILE A HG12 1 ATOM 1253 H HG13 . ILE A 1 80 ? -15.798 -32.218 -1.525 1.00 29.52 ? 386 ILE A HG13 1 ATOM 1254 H HG21 . ILE A 1 80 ? -16.903 -28.834 -1.182 1.00 32.89 ? 386 ILE A HG21 1 ATOM 1255 H HG22 . ILE A 1 80 ? -16.838 -28.792 0.405 1.00 32.89 ? 386 ILE A HG22 1 ATOM 1256 H HG23 . ILE A 1 80 ? -15.497 -28.884 -0.443 1.00 32.89 ? 386 ILE A HG23 1 ATOM 1257 H HD11 . ILE A 1 80 ? -16.167 -31.378 -3.646 1.00 31.91 ? 386 ILE A HD11 1 ATOM 1258 H HD12 . ILE A 1 80 ? -17.527 -31.371 -2.823 1.00 31.91 ? 386 ILE A HD12 1 ATOM 1259 H HD13 . ILE A 1 80 ? -16.713 -30.021 -3.024 1.00 31.91 ? 386 ILE A HD13 1 ATOM 1260 N N . VAL A 1 81 ? -15.385 -29.917 2.872 1.00 20.37 ? 387 VAL A N 1 ATOM 1261 C CA . VAL A 1 81 ? -15.712 -29.292 4.147 1.00 20.70 ? 387 VAL A CA 1 ATOM 1262 C C . VAL A 1 81 ? -15.920 -27.801 3.914 1.00 28.56 ? 387 VAL A C 1 ATOM 1263 O O . VAL A 1 81 ? -14.993 -27.104 3.485 1.00 24.42 ? 387 VAL A O 1 ATOM 1264 C CB . VAL A 1 81 ? -14.601 -29.530 5.173 1.00 27.58 ? 387 VAL A CB 1 ATOM 1265 C CG1 . VAL A 1 81 ? -14.922 -28.828 6.456 1.00 22.38 ? 387 VAL A CG1 1 ATOM 1266 C CG2 . VAL A 1 81 ? -14.429 -31.012 5.400 1.00 31.93 ? 387 VAL A CG2 1 ATOM 1267 H H . VAL A 1 81 ? -14.570 -29.794 2.627 1.00 24.45 ? 387 VAL A H 1 ATOM 1268 H HA . VAL A 1 81 ? -16.536 -29.669 4.492 1.00 24.84 ? 387 VAL A HA 1 ATOM 1269 H HB . VAL A 1 81 ? -13.766 -29.175 4.831 1.00 33.09 ? 387 VAL A HB 1 ATOM 1270 H HG11 . VAL A 1 81 ? -14.208 -28.990 7.092 1.00 26.86 ? 387 VAL A HG11 1 ATOM 1271 H HG12 . VAL A 1 81 ? -15.001 -27.876 6.283 1.00 26.86 ? 387 VAL A HG12 1 ATOM 1272 H HG13 . VAL A 1 81 ? -15.760 -29.172 6.803 1.00 26.86 ? 387 VAL A HG13 1 ATOM 1273 H HG21 . VAL A 1 81 ? -13.723 -31.151 6.051 1.00 38.32 ? 387 VAL A HG21 1 ATOM 1274 H HG22 . VAL A 1 81 ? -15.263 -31.379 5.732 1.00 38.32 ? 387 VAL A HG22 1 ATOM 1275 H HG23 . VAL A 1 81 ? -14.192 -31.434 4.560 1.00 38.32 ? 387 VAL A HG23 1 ATOM 1276 N N . LEU A 1 82 ? -17.128 -27.320 4.202 1.00 22.81 ? 388 LEU A N 1 ATOM 1277 C CA . LEU A 1 82 ? -17.521 -25.932 4.009 1.00 23.27 ? 388 LEU A CA 1 ATOM 1278 C C . LEU A 1 82 ? -17.679 -25.219 5.344 1.00 18.86 ? 388 LEU A C 1 ATOM 1279 O O . LEU A 1 82 ? -18.459 -25.660 6.185 1.00 19.11 ? 388 LEU A O 1 ATOM 1280 C CB . LEU A 1 82 ? -18.847 -25.839 3.262 1.00 24.69 ? 388 LEU A CB 1 ATOM 1281 C CG . LEU A 1 82 ? -18.672 -25.351 1.839 1.00 32.90 ? 388 LEU A CG 1 ATOM 1282 C CD1 . LEU A 1 82 ? -17.938 -26.456 1.124 1.00 34.88 ? 388 LEU A CD1 1 ATOM 1283 C CD2 . LEU A 1 82 ? -20.017 -25.139 1.245 1.00 34.04 ? 388 LEU A CD2 1 ATOM 1284 H H . LEU A 1 82 ? -17.762 -27.804 4.523 1.00 27.37 ? 388 LEU A H 1 ATOM 1285 H HA . LEU A 1 82 ? -16.842 -25.471 3.491 1.00 27.92 ? 388 LEU A HA 1 ATOM 1286 H HB2 . LEU A 1 82 ? -19.256 -26.718 3.231 1.00 29.63 ? 388 LEU A HB2 1 ATOM 1287 H HB3 . LEU A 1 82 ? -19.429 -25.217 3.725 1.00 29.63 ? 388 LEU A HB3 1 ATOM 1288 H HG . LEU A 1 82 ? -18.156 -24.531 1.810 1.00 39.48 ? 388 LEU A HG 1 ATOM 1289 H HD11 . LEU A 1 82 ? -17.798 -26.196 0.201 1.00 41.86 ? 388 LEU A HD11 1 ATOM 1290 H HD12 . LEU A 1 82 ? -17.084 -26.602 1.561 1.00 41.86 ? 388 LEU A HD12 1 ATOM 1291 H HD13 . LEU A 1 82 ? -18.472 -27.266 1.163 1.00 41.86 ? 388 LEU A HD13 1 ATOM 1292 H HD21 . LEU A 1 82 ? -19.913 -24.826 0.333 1.00 40.84 ? 388 LEU A HD21 1 ATOM 1293 H HD22 . LEU A 1 82 ? -20.502 -25.979 1.254 1.00 40.84 ? 388 LEU A HD22 1 ATOM 1294 H HD23 . LEU A 1 82 ? -20.493 -24.477 1.770 1.00 40.84 ? 388 LEU A HD23 1 ATOM 1295 N N . ASP A 1 83 ? -16.978 -24.099 5.496 1.00 18.31 ? 389 ASP A N 1 ATOM 1296 C CA . ASP A 1 83 ? -17.145 -23.156 6.601 1.00 18.26 ? 389 ASP A CA 1 ATOM 1297 C C . ASP A 1 83 ? -17.735 -21.856 6.073 1.00 25.54 ? 389 ASP A C 1 ATOM 1298 O O . ASP A 1 83 ? -17.370 -21.411 4.979 1.00 20.66 ? 389 ASP A O 1 ATOM 1299 C CB . ASP A 1 83 ? -15.797 -22.884 7.260 1.00 19.45 ? 389 ASP A CB 1 ATOM 1300 C CG . ASP A 1 83 ? -15.114 -24.156 7.741 1.00 23.16 ? 389 ASP A CG 1 ATOM 1301 O OD1 . ASP A 1 83 ? -15.839 -25.107 8.128 1.00 20.97 ? 389 ASP A OD1 1 ATOM 1302 O OD2 . ASP A 1 83 ? -13.856 -24.205 7.754 1.00 22.10 ? 389 ASP A OD2 1 ATOM 1303 H H . ASP A 1 83 ? -16.368 -23.852 4.942 1.00 21.97 ? 389 ASP A H 1 ATOM 1304 H HA . ASP A 1 83 ? -17.748 -23.528 7.264 1.00 21.92 ? 389 ASP A HA 1 ATOM 1305 H HB2 . ASP A 1 83 ? -15.212 -22.453 6.617 1.00 23.34 ? 389 ASP A HB2 1 ATOM 1306 H HB3 . ASP A 1 83 ? -15.931 -22.305 8.027 1.00 23.34 ? 389 ASP A HB3 1 ATOM 1307 N N . LYS A 1 84 ? -18.641 -21.221 6.826 1.00 19.50 ? 390 LYS A N 1 ATOM 1308 C CA . LYS A 1 84 ? -19.214 -19.970 6.333 1.00 20.95 ? 390 LYS A CA 1 ATOM 1309 C C . LYS A 1 84 ? -19.464 -18.981 7.471 1.00 18.98 ? 390 LYS A C 1 ATOM 1310 O O . LYS A 1 84 ? -19.589 -19.348 8.642 1.00 18.36 ? 390 LYS A O 1 ATOM 1311 C CB . LYS A 1 84 ? -20.529 -20.207 5.588 1.00 18.72 ? 390 LYS A CB 1 ATOM 1312 C CG . LYS A 1 84 ? -21.642 -20.604 6.544 1.00 19.41 ? 390 LYS A CG 1 ATOM 1313 C CD . LYS A 1 84 ? -22.945 -20.890 5.841 1.00 18.00 ? 390 LYS A CD 1 ATOM 1314 C CE . LYS A 1 84 ? -24.007 -21.207 6.865 1.00 23.38 ? 390 LYS A CE 1 ATOM 1315 N NZ . LYS A 1 84 ? -25.341 -21.392 6.251 1.00 23.44 ? 390 LYS A NZ 1 ATOM 1316 H H . LYS A 1 84 ? -18.929 -21.482 7.594 1.00 23.40 ? 390 LYS A H 1 ATOM 1317 H HA . LYS A 1 84 ? -18.589 -19.562 5.714 1.00 25.14 ? 390 LYS A HA 1 ATOM 1318 H HB2 . LYS A 1 84 ? -20.792 -19.390 5.136 1.00 22.46 ? 390 LYS A HB2 1 ATOM 1319 H HB3 . LYS A 1 84 ? -20.409 -20.924 4.946 1.00 22.46 ? 390 LYS A HB3 1 ATOM 1320 H HG2 . LYS A 1 84 ? -21.377 -21.405 7.022 1.00 23.29 ? 390 LYS A HG2 1 ATOM 1321 H HG3 . LYS A 1 84 ? -21.793 -19.879 7.171 1.00 23.29 ? 390 LYS A HG3 1 ATOM 1322 H HD2 . LYS A 1 84 ? -23.222 -20.109 5.337 1.00 21.60 ? 390 LYS A HD2 1 ATOM 1323 H HD3 . LYS A 1 84 ? -22.838 -21.656 5.256 1.00 21.60 ? 390 LYS A HD3 1 ATOM 1324 H HE2 . LYS A 1 84 ? -23.770 -22.028 7.324 1.00 28.05 ? 390 LYS A HE2 1 ATOM 1325 H HE3 . LYS A 1 84 ? -24.065 -20.475 7.498 1.00 28.05 ? 390 LYS A HE3 1 ATOM 1326 H HZ1 . LYS A 1 84 ? -25.942 -21.577 6.881 1.00 28.13 ? 390 LYS A HZ1 1 ATOM 1327 H HZ2 . LYS A 1 84 ? -25.586 -20.649 5.827 1.00 28.13 ? 390 LYS A HZ2 1 ATOM 1328 H HZ3 . LYS A 1 84 ? -25.317 -22.064 5.668 1.00 28.13 ? 390 LYS A HZ3 1 ATOM 1329 N N . PHE A 1 85 ? -19.551 -17.714 7.091 1.00 18.39 ? 391 PHE A N 1 ATOM 1330 C CA . PHE A 1 85 ? -19.940 -16.657 8.022 1.00 18.66 ? 391 PHE A CA 1 ATOM 1331 C C . PHE A 1 85 ? -20.109 -15.342 7.259 1.00 22.09 ? 391 PHE A C 1 ATOM 1332 O O . PHE A 1 85 ? -19.515 -15.135 6.196 1.00 17.63 ? 391 PHE A O 1 ATOM 1333 C CB . PHE A 1 85 ? -18.927 -16.514 9.162 1.00 16.14 ? 391 PHE A CB 1 ATOM 1334 C CG . PHE A 1 85 ? -17.501 -16.349 8.721 1.00 17.49 ? 391 PHE A CG 1 ATOM 1335 C CD1 . PHE A 1 85 ? -17.014 -15.106 8.315 1.00 21.59 ? 391 PHE A CD1 1 ATOM 1336 C CD2 . PHE A 1 85 ? -16.630 -17.428 8.754 1.00 18.53 ? 391 PHE A CD2 1 ATOM 1337 C CE1 . PHE A 1 85 ? -15.698 -14.968 7.953 1.00 17.78 ? 391 PHE A CE1 1 ATOM 1338 C CE2 . PHE A 1 85 ? -15.322 -17.294 8.401 1.00 13.75 ? 391 PHE A CE2 1 ATOM 1339 C CZ . PHE A 1 85 ? -14.853 -16.061 7.993 1.00 20.59 ? 391 PHE A CZ 1 ATOM 1340 H H . PHE A 1 85 ? -19.389 -17.436 6.294 1.00 22.07 ? 391 PHE A H 1 ATOM 1341 H HA . PHE A 1 85 ? -20.797 -16.885 8.414 1.00 22.40 ? 391 PHE A HA 1 ATOM 1342 H HB2 . PHE A 1 85 ? -19.163 -15.734 9.689 1.00 19.37 ? 391 PHE A HB2 1 ATOM 1343 H HB3 . PHE A 1 85 ? -18.973 -17.308 9.718 1.00 19.37 ? 391 PHE A HB3 1 ATOM 1344 H HD1 . PHE A 1 85 ? -17.581 -14.369 8.295 1.00 25.91 ? 391 PHE A HD1 1 ATOM 1345 H HD2 . PHE A 1 85 ? -16.942 -18.257 9.037 1.00 22.24 ? 391 PHE A HD2 1 ATOM 1346 H HE1 . PHE A 1 85 ? -15.376 -14.141 7.675 1.00 21.34 ? 391 PHE A HE1 1 ATOM 1347 H HE2 . PHE A 1 85 ? -14.753 -18.029 8.421 1.00 16.50 ? 391 PHE A HE2 1 ATOM 1348 H HZ . PHE A 1 85 ? -13.964 -15.968 7.737 1.00 24.71 ? 391 PHE A HZ 1 ATOM 1349 N N . ALA A 1 86 ? -20.981 -14.498 7.794 1.00 21.15 ? 392 ALA A N 1 ATOM 1350 C CA . ALA A 1 86 ? -21.165 -13.148 7.298 1.00 20.34 ? 392 ALA A CA 1 ATOM 1351 C C . ALA A 1 86 ? -19.910 -12.328 7.528 1.00 22.80 ? 392 ALA A C 1 ATOM 1352 O O . ALA A 1 86 ? -19.158 -12.548 8.475 1.00 20.31 ? 392 ALA A O 1 ATOM 1353 C CB . ALA A 1 86 ? -22.342 -12.480 7.987 1.00 19.93 ? 392 ALA A CB 1 ATOM 1354 H H . ALA A 1 86 ? -21.488 -14.691 8.461 1.00 25.38 ? 392 ALA A H 1 ATOM 1355 H HA . ALA A 1 86 ? -21.342 -13.175 6.345 1.00 24.40 ? 392 ALA A HA 1 ATOM 1356 H HB1 . ALA A 1 86 ? -22.443 -11.581 7.638 1.00 23.92 ? 392 ALA A HB1 1 ATOM 1357 H HB2 . ALA A 1 86 ? -23.144 -12.996 7.810 1.00 23.92 ? 392 ALA A HB2 1 ATOM 1358 H HB3 . ALA A 1 86 ? -22.172 -12.448 8.941 1.00 23.92 ? 392 ALA A HB3 1 ATOM 1359 N N . ILE A 1 87 ? -19.674 -11.364 6.636 1.00 17.33 ? 393 ILE A N 1 ATOM 1360 C CA . ILE A 1 87 ? -18.461 -10.564 6.658 1.00 19.70 ? 393 ILE A CA 1 ATOM 1361 C C . ILE A 1 87 ? -18.817 -9.196 7.222 1.00 19.12 ? 393 ILE A C 1 ATOM 1362 O O . ILE A 1 87 ? -19.516 -8.420 6.535 1.00 20.03 ? 393 ILE A O 1 ATOM 1363 C CB . ILE A 1 87 ? -17.834 -10.413 5.263 1.00 18.72 ? 393 ILE A CB 1 ATOM 1364 C CG1 . ILE A 1 87 ? -17.546 -11.773 4.634 1.00 19.89 ? 393 ILE A CG1 1 ATOM 1365 C CG2 . ILE A 1 87 ? -16.535 -9.611 5.387 1.00 18.91 ? 393 ILE A CG2 1 ATOM 1366 C CD1 . ILE A 1 87 ? -17.202 -11.670 3.105 1.00 20.17 ? 393 ILE A CD1 1 ATOM 1367 H H . ILE A 1 87 ? -20.213 -11.155 6.000 1.00 20.80 ? 393 ILE A H 1 ATOM 1368 H HA . ILE A 1 87 ? -17.810 -10.980 7.245 1.00 23.64 ? 393 ILE A HA 1 ATOM 1369 H HB . ILE A 1 87 ? -18.450 -9.927 4.693 1.00 22.47 ? 393 ILE A HB 1 ATOM 1370 H HG12 . ILE A 1 87 ? -16.789 -12.177 5.086 1.00 23.87 ? 393 ILE A HG12 1 ATOM 1371 H HG13 . ILE A 1 87 ? -18.330 -12.337 4.728 1.00 23.87 ? 393 ILE A HG13 1 ATOM 1372 H HG21 . ILE A 1 87 ? -16.139 -9.515 4.507 1.00 22.70 ? 393 ILE A HG21 1 ATOM 1373 H HG22 . ILE A 1 87 ? -16.738 -8.737 5.757 1.00 22.70 ? 393 ILE A HG22 1 ATOM 1374 H HG23 . ILE A 1 87 ? -15.926 -10.086 5.975 1.00 22.70 ? 393 ILE A HG23 1 ATOM 1375 H HD11 . ILE A 1 87 ? -17.029 -12.560 2.760 1.00 24.20 ? 393 ILE A HD11 1 ATOM 1376 H HD12 . ILE A 1 87 ? -17.955 -11.274 2.638 1.00 24.20 ? 393 ILE A HD12 1 ATOM 1377 H HD13 . ILE A 1 87 ? -16.415 -11.114 2.996 1.00 24.20 ? 393 ILE A HD13 1 ATOM 1378 N N . PRO A 1 88 ? -18.320 -8.811 8.394 1.00 17.90 ? 394 PRO A N 1 ATOM 1379 C CA . PRO A 1 88 ? -18.434 -7.406 8.798 1.00 20.43 ? 394 PRO A CA 1 ATOM 1380 C C . PRO A 1 88 ? -17.702 -6.517 7.799 1.00 19.74 ? 394 PRO A C 1 ATOM 1381 O O . PRO A 1 88 ? -16.532 -6.746 7.506 1.00 20.91 ? 394 PRO A O 1 ATOM 1382 C CB . PRO A 1 88 ? -17.774 -7.378 10.184 1.00 22.80 ? 394 PRO A CB 1 ATOM 1383 C CG . PRO A 1 88 ? -17.602 -8.798 10.605 1.00 22.66 ? 394 PRO A CG 1 ATOM 1384 C CD . PRO A 1 88 ? -17.418 -9.541 9.293 1.00 17.58 ? 394 PRO A CD 1 ATOM 1385 H HA . PRO A 1 88 ? -19.364 -7.138 8.867 1.00 24.52 ? 394 PRO A HA 1 ATOM 1386 H HB2 . PRO A 1 88 ? -16.912 -6.938 10.121 1.00 27.36 ? 394 PRO A HB2 1 ATOM 1387 H HB3 . PRO A 1 88 ? -18.350 -6.908 10.807 1.00 27.36 ? 394 PRO A HB3 1 ATOM 1388 H HG2 . PRO A 1 88 ? -16.816 -8.884 11.166 1.00 27.20 ? 394 PRO A HG2 1 ATOM 1389 H HG3 . PRO A 1 88 ? -18.397 -9.104 11.068 1.00 27.20 ? 394 PRO A HG3 1 ATOM 1390 H HD2 . PRO A 1 88 ? -16.500 -9.471 8.987 1.00 21.09 ? 394 PRO A HD2 1 ATOM 1391 H HD3 . PRO A 1 88 ? -17.698 -10.466 9.382 1.00 21.09 ? 394 PRO A HD3 1 ATOM 1392 N N . ASN A 1 89 ? -18.388 -5.471 7.295 1.00 23.00 ? 395 ASN A N 1 ATOM 1393 C CA . ASN A 1 89 ? -17.806 -4.654 6.226 1.00 19.72 ? 395 ASN A CA 1 ATOM 1394 C C . ASN A 1 89 ? -16.380 -4.226 6.533 1.00 24.95 ? 395 ASN A C 1 ATOM 1395 O O . ASN A 1 89 ? -15.518 -4.271 5.653 1.00 19.92 ? 395 ASN A O 1 ATOM 1396 C CB . ASN A 1 89 ? -18.652 -3.397 5.949 1.00 26.01 ? 395 ASN A CB 1 ATOM 1397 C CG . ASN A 1 89 ? -19.923 -3.694 5.156 1.00 23.42 ? 395 ASN A CG 1 ATOM 1398 O OD1 . ASN A 1 89 ? -20.104 -4.798 4.654 1.00 24.54 ? 395 ASN A OD1 1 ATOM 1399 N ND2 . ASN A 1 89 ? -20.827 -2.719 5.085 1.00 25.19 ? 395 ASN A ND2 1 ATOM 1400 H H . ASN A 1 89 ? -19.171 -5.224 7.552 1.00 27.60 ? 395 ASN A H 1 ATOM 1401 H HA . ASN A 1 89 ? -17.786 -5.180 5.411 1.00 23.66 ? 395 ASN A HA 1 ATOM 1402 H HB2 . ASN A 1 89 ? -18.914 -3.000 6.795 1.00 31.21 ? 395 ASN A HB2 1 ATOM 1403 H HB3 . ASN A 1 89 ? -18.122 -2.766 5.438 1.00 31.21 ? 395 ASN A HB3 1 ATOM 1404 H HD21 . ASN A 1 89 ? -21.558 -2.841 4.649 1.00 30.23 ? 395 ASN A HD21 1 ATOM 1405 H HD22 . ASN A 1 89 ? -20.680 -1.967 5.476 1.00 30.23 ? 395 ASN A HD22 1 ATOM 1406 N N . SER A 1 90 ? -16.115 -3.768 7.764 1.00 21.19 ? 396 SER A N 1 ATOM 1407 C CA . SER A 1 90 ? -14.796 -3.246 8.110 1.00 21.67 ? 396 SER A CA 1 ATOM 1408 C C . SER A 1 90 ? -13.702 -4.306 8.157 1.00 25.94 ? 396 SER A C 1 ATOM 1409 O O . SER A 1 90 ? -12.521 -3.942 8.284 1.00 23.38 ? 396 SER A O 1 ATOM 1410 C CB . SER A 1 90 ? -14.867 -2.580 9.486 1.00 26.35 ? 396 SER A CB 1 ATOM 1411 O OG . SER A 1 90 ? -15.231 -3.587 10.442 1.00 23.82 ? 396 SER A OG 1 ATOM 1412 H H . SER A 1 90 ? -16.682 -3.751 8.411 1.00 25.42 ? 396 SER A H 1 ATOM 1413 H HA . SER A 1 90 ? -14.539 -2.574 7.460 1.00 26.01 ? 396 SER A HA 1 ATOM 1414 H HB2 . SER A 1 90 ? -13.999 -2.213 9.714 1.00 31.62 ? 396 SER A HB2 1 ATOM 1415 H HB3 . SER A 1 90 ? -15.540 -1.882 9.475 1.00 31.62 ? 396 SER A HB3 1 ATOM 1416 H HG . SER A 1 90 ? -15.278 -3.250 11.210 1.00 28.59 ? 396 SER A HG 1 ATOM 1417 N N . ARG A 1 91 ? -14.052 -5.592 8.096 1.00 22.46 ? 397 ARG A N 1 ATOM 1418 C CA . ARG A 1 91 ? -13.100 -6.677 8.291 1.00 22.29 ? 397 ARG A CA 1 ATOM 1419 C C . ARG A 1 91 ? -12.748 -7.414 7.016 1.00 21.06 ? 397 ARG A C 1 ATOM 1420 O O . ARG A 1 91 ? -12.066 -8.439 7.079 1.00 21.37 ? 397 ARG A O 1 ATOM 1421 C CB . ARG A 1 91 ? -13.659 -7.698 9.296 1.00 20.68 ? 397 ARG A CB 1 ATOM 1422 C CG . ARG A 1 91 ? -14.100 -7.052 10.570 1.00 22.78 ? 397 ARG A CG 1 ATOM 1423 C CD . ARG A 1 91 ? -13.002 -7.150 11.560 1.00 21.29 ? 397 ARG A CD 1 ATOM 1424 N NE . ARG A 1 91 ? -11.751 -6.417 11.313 1.00 21.40 ? 397 ARG A NE 1 ATOM 1425 C CZ . ARG A 1 91 ? -11.577 -5.124 11.538 1.00 26.36 ? 397 ARG A CZ 1 ATOM 1426 N NH1 . ARG A 1 91 ? -12.614 -4.355 11.851 1.00 24.59 ? 397 ARG A NH1 1 ATOM 1427 N NH2 . ARG A 1 91 ? -10.370 -4.588 11.426 1.00 23.86 ? 397 ARG A NH2 1 ATOM 1428 H HA . ARG A 1 91 ? -12.280 -6.313 8.661 1.00 26.75 ? 397 ARG A HA 1 ATOM 1429 N N . ARG A 1 92 ? -13.216 -6.943 5.872 1.00 21.32 ? 398 ARG A N 1 ATOM 1430 C CA . ARG A 1 92 ? -13.102 -7.745 4.651 1.00 22.32 ? 398 ARG A CA 1 ATOM 1431 C C . ARG A 1 92 ? -11.648 -8.085 4.345 1.00 21.85 ? 398 ARG A C 1 ATOM 1432 O O . ARG A 1 92 ? -11.331 -9.229 3.994 1.00 21.32 ? 398 ARG A O 1 ATOM 1433 C CB . ARG A 1 92 ? -13.750 -6.996 3.495 1.00 25.09 ? 398 ARG A CB 1 ATOM 1434 C CG . ARG A 1 92 ? -13.434 -7.515 2.130 1.00 33.47 ? 398 ARG A CG 1 ATOM 1435 C CD . ARG A 1 92 ? -13.993 -8.882 1.889 1.00 37.62 ? 398 ARG A CD 1 ATOM 1436 N NE . ARG A 1 92 ? -13.640 -9.314 0.536 1.00 44.05 ? 398 ARG A NE 1 ATOM 1437 C CZ . ARG A 1 92 ? -12.501 -9.933 0.222 1.00 47.31 ? 398 ARG A CZ 1 ATOM 1438 N NH1 . ARG A 1 92 ? -11.584 -10.227 1.167 1.00 30.37 ? 398 ARG A NH1 1 ATOM 1439 N NH2 . ARG A 1 92 ? -12.289 -10.273 -1.046 1.00 46.81 ? 398 ARG A NH2 1 ATOM 1440 H H . ARG A 1 92 ? -13.599 -6.180 5.770 1.00 25.59 ? 398 ARG A H 1 ATOM 1441 H HA . ARG A 1 92 ? -13.583 -8.578 4.775 1.00 26.78 ? 398 ARG A HA 1 ATOM 1442 H HB2 . ARG A 1 92 ? -14.713 -7.036 3.605 1.00 30.11 ? 398 ARG A HB2 1 ATOM 1443 H HB3 . ARG A 1 92 ? -13.460 -6.071 3.528 1.00 30.11 ? 398 ARG A HB3 1 ATOM 1444 H HG2 . ARG A 1 92 ? -13.811 -6.916 1.468 1.00 40.17 ? 398 ARG A HG2 1 ATOM 1445 H HG3 . ARG A 1 92 ? -12.471 -7.563 2.025 1.00 40.17 ? 398 ARG A HG3 1 ATOM 1446 H HD2 . ARG A 1 92 ? -13.614 -9.508 2.525 1.00 45.15 ? 398 ARG A HD2 1 ATOM 1447 H HD3 . ARG A 1 92 ? -14.960 -8.858 1.966 1.00 45.15 ? 398 ARG A HD3 1 ATOM 1448 H HE . ARG A 1 92 ? -14.189 -9.134 -0.100 1.00 52.85 ? 398 ARG A HE 1 ATOM 1449 H HH11 . ARG A 1 92 ? -11.724 -10.005 1.986 1.00 36.45 ? 398 ARG A HH11 1 ATOM 1450 H HH12 . ARG A 1 92 ? -10.855 -10.629 0.949 1.00 36.45 ? 398 ARG A HH12 1 ATOM 1451 H HH21 . ARG A 1 92 ? -12.878 -10.088 -1.645 1.00 56.17 ? 398 ARG A HH21 1 ATOM 1452 H HH22 . ARG A 1 92 ? -11.563 -10.678 -1.267 1.00 56.17 ? 398 ARG A HH22 1 ATOM 1453 N N . SER A 1 93 ? -10.735 -7.127 4.526 1.00 22.92 ? 399 SER A N 1 ATOM 1454 C CA . SER A 1 93 ? -9.334 -7.382 4.200 1.00 28.27 ? 399 SER A CA 1 ATOM 1455 C C . SER A 1 93 ? -8.676 -8.353 5.167 1.00 25.34 ? 399 SER A C 1 ATOM 1456 O O . SER A 1 93 ? -7.584 -8.863 4.863 1.00 18.26 ? 399 SER A O 1 ATOM 1457 C CB . SER A 1 93 ? -8.535 -6.081 4.169 1.00 35.91 ? 399 SER A CB 1 ATOM 1458 O OG . SER A 1 93 ? -8.532 -5.451 5.445 1.00 37.13 ? 399 SER A OG 1 ATOM 1459 H H . SER A 1 93 ? -10.898 -6.340 4.830 1.00 27.50 ? 399 SER A H 1 ATOM 1460 H HA . SER A 1 93 ? -9.290 -7.775 3.315 1.00 33.92 ? 399 SER A HA 1 ATOM 1461 H HB2 . SER A 1 93 ? -7.621 -6.279 3.913 1.00 43.09 ? 399 SER A HB2 1 ATOM 1462 H HB3 . SER A 1 93 ? -8.937 -5.481 3.522 1.00 43.09 ? 399 SER A HB3 1 ATOM 1463 H HG . SER A 1 93 ? -8.185 -5.960 6.016 1.00 44.56 ? 399 SER A HG 1 ATOM 1464 N N . ASP A 1 94 ? -9.299 -8.598 6.329 1.00 22.84 ? 400 ASP A N 1 ATOM 1465 C CA . ASP A 1 94 ? -8.824 -9.630 7.247 1.00 19.22 ? 400 ASP A CA 1 ATOM 1466 C C . ASP A 1 94 ? -8.822 -11.017 6.616 1.00 18.09 ? 400 ASP A C 1 ATOM 1467 O O . ASP A 1 94 ? -8.182 -11.933 7.152 1.00 19.68 ? 400 ASP A O 1 ATOM 1468 C CB . ASP A 1 94 ? -9.691 -9.697 8.521 1.00 24.08 ? 400 ASP A CB 1 ATOM 1469 C CG . ASP A 1 94 ? -9.459 -8.558 9.472 1.00 25.26 ? 400 ASP A CG 1 ATOM 1470 O OD1 . ASP A 1 94 ? -8.682 -7.630 9.157 1.00 25.22 ? 400 ASP A OD1 1 ATOM 1471 O OD2 . ASP A 1 94 ? -10.089 -8.578 10.558 1.00 22.05 ? 400 ASP A OD2 1 ATOM 1472 H H . ASP A 1 94 ? -9.997 -8.178 6.604 1.00 27.41 ? 400 ASP A H 1 ATOM 1473 H HA . ASP A 1 94 ? -7.915 -9.421 7.513 1.00 23.06 ? 400 ASP A HA 1 ATOM 1474 H HB2 . ASP A 1 94 ? -10.627 -9.682 8.264 1.00 28.90 ? 400 ASP A HB2 1 ATOM 1475 H HB3 . ASP A 1 94 ? -9.493 -10.521 8.992 1.00 28.90 ? 400 ASP A HB3 1 ATOM 1476 N N . LEU A 1 95 ? -9.580 -11.223 5.547 1.00 20.08 ? 401 LEU A N 1 ATOM 1477 C CA . LEU A 1 95 ? -9.731 -12.557 4.973 1.00 22.44 ? 401 LEU A CA 1 ATOM 1478 C C . LEU A 1 95 ? -8.685 -12.879 3.924 1.00 23.51 ? 401 LEU A C 1 ATOM 1479 O O . LEU A 1 95 ? -8.674 -14.003 3.410 1.00 22.33 ? 401 LEU A O 1 ATOM 1480 C CB . LEU A 1 95 ? -11.121 -12.732 4.373 1.00 17.13 ? 401 LEU A CB 1 ATOM 1481 C CG . LEU A 1 95 ? -12.231 -12.666 5.431 1.00 20.23 ? 401 LEU A CG 1 ATOM 1482 C CD1 . LEU A 1 95 ? -13.570 -12.504 4.815 1.00 29.31 ? 401 LEU A CD1 1 ATOM 1483 C CD2 . LEU A 1 95 ? -12.203 -13.895 6.343 1.00 24.32 ? 401 LEU A CD2 1 ATOM 1484 H H . LEU A 1 95 ? -10.019 -10.609 5.134 1.00 24.10 ? 401 LEU A H 1 ATOM 1485 H HA . LEU A 1 95 ? -9.638 -13.209 5.685 1.00 26.93 ? 401 LEU A HA 1 ATOM 1486 H HB2 . LEU A 1 95 ? -11.279 -12.026 3.727 1.00 20.55 ? 401 LEU A HB2 1 ATOM 1487 H HB3 . LEU A 1 95 ? -11.172 -13.598 3.938 1.00 20.55 ? 401 LEU A HB3 1 ATOM 1488 H HG . LEU A 1 95 ? -12.074 -11.888 5.989 1.00 24.28 ? 401 LEU A HG 1 ATOM 1489 H HD11 . LEU A 1 95 ? -14.238 -12.466 5.517 1.00 35.18 ? 401 LEU A HD11 1 ATOM 1490 H HD12 . LEU A 1 95 ? -13.584 -11.681 4.301 1.00 35.18 ? 401 LEU A HD12 1 ATOM 1491 H HD13 . LEU A 1 95 ? -13.743 -13.261 4.233 1.00 35.18 ? 401 LEU A HD13 1 ATOM 1492 H HD21 . LEU A 1 95 ? -12.915 -13.819 6.997 1.00 29.19 ? 401 LEU A HD21 1 ATOM 1493 H HD22 . LEU A 1 95 ? -12.332 -14.691 5.804 1.00 29.19 ? 401 LEU A HD22 1 ATOM 1494 H HD23 . LEU A 1 95 ? -11.344 -13.935 6.792 1.00 29.19 ? 401 LEU A HD23 1 ATOM 1495 N N . GLN A 1 96 ? -7.779 -11.954 3.620 1.00 22.63 ? 402 GLN A N 1 ATOM 1496 C CA . GLN A 1 96 ? -6.635 -12.319 2.804 1.00 24.31 ? 402 GLN A CA 1 ATOM 1497 C C . GLN A 1 96 ? -5.876 -13.472 3.444 1.00 24.82 ? 402 GLN A C 1 ATOM 1498 O O . GLN A 1 96 ? -5.649 -13.497 4.656 1.00 24.14 ? 402 GLN A O 1 ATOM 1499 C CB . GLN A 1 96 ? -5.713 -11.123 2.625 1.00 23.99 ? 402 GLN A CB 1 ATOM 1500 C CG . GLN A 1 96 ? -6.339 -10.021 1.778 1.00 29.71 ? 402 GLN A CG 1 ATOM 1501 C CD . GLN A 1 96 ? -5.369 -8.883 1.514 1.00 43.00 ? 402 GLN A CD 1 ATOM 1502 O OE1 . GLN A 1 96 ? -4.536 -8.557 2.357 1.00 43.60 ? 402 GLN A OE1 1 ATOM 1503 N NE2 . GLN A 1 96 ? -5.451 -8.302 0.331 1.00 50.83 ? 402 GLN A NE2 1 ATOM 1504 H H . GLN A 1 96 ? -7.804 -11.130 3.867 1.00 27.16 ? 402 GLN A H 1 ATOM 1505 H HA . GLN A 1 96 ? -6.942 -12.603 1.929 1.00 29.17 ? 402 GLN A HA 1 ATOM 1506 H HB2 . GLN A 1 96 ? -5.505 -10.751 3.496 1.00 28.79 ? 402 GLN A HB2 1 ATOM 1507 H HB3 . GLN A 1 96 ? -4.899 -11.415 2.185 1.00 28.79 ? 402 GLN A HB3 1 ATOM 1508 H HG2 . GLN A 1 96 ? -6.610 -10.392 0.923 1.00 35.65 ? 402 GLN A HG2 1 ATOM 1509 H HG3 . GLN A 1 96 ? -7.109 -9.660 2.244 1.00 35.65 ? 402 GLN A HG3 1 ATOM 1510 H HE21 . GLN A 1 96 ? -6.032 -8.574 -0.242 1.00 61.00 ? 402 GLN A HE21 1 ATOM 1511 H HE22 . GLN A 1 96 ? -4.923 -7.653 0.133 1.00 61.00 ? 402 GLN A HE22 1 ATOM 1512 N N . LEU A 1 97 ? -5.460 -14.431 2.619 1.00 23.05 ? 403 LEU A N 1 ATOM 1513 C CA . LEU A 1 97 ? -4.733 -15.562 3.167 1.00 21.77 ? 403 LEU A CA 1 ATOM 1514 C C . LEU A 1 97 ? -3.492 -15.085 3.909 1.00 26.60 ? 403 LEU A C 1 ATOM 1515 O O . LEU A 1 97 ? -2.725 -14.255 3.408 1.00 23.88 ? 403 LEU A O 1 ATOM 1516 C CB . LEU A 1 97 ? -4.351 -16.550 2.057 1.00 24.78 ? 403 LEU A CB 1 ATOM 1517 C CG . LEU A 1 97 ? -5.287 -17.750 1.907 1.00 36.40 ? 403 LEU A CG 1 ATOM 1518 C CD1 . LEU A 1 97 ? -6.738 -17.341 1.778 1.00 33.51 ? 403 LEU A CD1 1 ATOM 1519 C CD2 . LEU A 1 97 ? -4.867 -18.581 0.678 1.00 43.35 ? 403 LEU A CD2 1 ATOM 1520 H H . LEU A 1 97 ? -5.583 -14.449 1.767 1.00 27.66 ? 403 LEU A H 1 ATOM 1521 H HA . LEU A 1 97 ? -5.302 -16.027 3.800 1.00 26.13 ? 403 LEU A HA 1 ATOM 1522 H HB2 . LEU A 1 97 ? -4.345 -16.076 1.211 1.00 29.73 ? 403 LEU A HB2 1 ATOM 1523 H HB3 . LEU A 1 97 ? -3.463 -16.893 2.243 1.00 29.73 ? 403 LEU A HB3 1 ATOM 1524 H HG . LEU A 1 97 ? -5.204 -18.314 2.692 1.00 43.68 ? 403 LEU A HG 1 ATOM 1525 H HD11 . LEU A 1 97 ? -7.283 -18.138 1.686 1.00 40.21 ? 403 LEU A HD11 1 ATOM 1526 H HD12 . LEU A 1 97 ? -7.000 -16.851 2.573 1.00 40.21 ? 403 LEU A HD12 1 ATOM 1527 H HD13 . LEU A 1 97 ? -6.839 -16.778 0.994 1.00 40.21 ? 403 LEU A HD13 1 ATOM 1528 H HD21 . LEU A 1 97 ? -5.466 -19.339 0.591 1.00 52.03 ? 403 LEU A HD21 1 ATOM 1529 H HD22 . LEU A 1 97 ? -4.921 -18.023 -0.113 1.00 52.03 ? 403 LEU A HD22 1 ATOM 1530 H HD23 . LEU A 1 97 ? -3.956 -18.891 0.803 1.00 52.03 ? 403 LEU A HD23 1 ATOM 1531 N N . GLY A 1 98 ? -3.286 -15.643 5.099 1.00 26.14 ? 404 GLY A N 1 ATOM 1532 C CA . GLY A 1 98 ? -2.151 -15.312 5.924 1.00 27.47 ? 404 GLY A CA 1 ATOM 1533 C C . GLY A 1 98 ? -2.294 -14.053 6.763 1.00 24.29 ? 404 GLY A C 1 ATOM 1534 O O . GLY A 1 98 ? -1.357 -13.727 7.495 1.00 23.53 ? 404 GLY A O 1 ATOM 1535 H H . GLY A 1 98 ? -3.807 -16.230 5.450 1.00 31.37 ? 404 GLY A H 1 ATOM 1536 H HA2 . GLY A 1 98 ? -1.977 -16.052 6.526 1.00 32.96 ? 404 GLY A HA2 1 ATOM 1537 H HA3 . GLY A 1 98 ? -1.373 -15.202 5.355 1.00 32.96 ? 404 GLY A HA3 1 ATOM 1538 N N . SER A 1 99 ? -3.418 -13.336 6.665 1.00 25.23 ? 405 SER A N 1 ATOM 1539 C CA . SER A 1 99 ? -3.584 -12.063 7.359 1.00 22.06 ? 405 SER A CA 1 ATOM 1540 C C . SER A 1 99 ? -3.574 -12.254 8.871 1.00 21.28 ? 405 SER A C 1 ATOM 1541 O O . SER A 1 99 ? -4.128 -13.221 9.386 1.00 25.18 ? 405 SER A O 1 ATOM 1542 C CB . SER A 1 99 ? -4.907 -11.392 6.991 1.00 23.21 ? 405 SER A CB 1 ATOM 1543 O OG . SER A 1 99 ? -5.131 -10.247 7.826 1.00 22.97 ? 405 SER A OG 1 ATOM 1544 H H . SER A 1 99 ? -4.102 -13.570 6.198 1.00 30.27 ? 405 SER A H 1 ATOM 1545 H HA . SER A 1 99 ? -2.858 -11.466 7.118 1.00 26.47 ? 405 SER A HA 1 ATOM 1546 H HB2 . SER A 1 99 ? -4.872 -11.108 6.065 1.00 27.85 ? 405 SER A HB2 1 ATOM 1547 H HB3 . SER A 1 99 ? -5.630 -12.026 7.119 1.00 27.85 ? 405 SER A HB3 1 ATOM 1548 H HG . SER A 1 99 ? -5.859 -9.881 7.622 1.00 27.57 ? 405 SER A HG 1 ATOM 1549 N N . SER A 1 100 ? -2.993 -11.290 9.568 1.00 30.15 ? 406 SER A N 1 ATOM 1550 C CA . SER A 1 100 ? -2.953 -11.259 11.027 1.00 32.25 ? 406 SER A CA 1 ATOM 1551 C C . SER A 1 100 ? -4.021 -10.354 11.639 1.00 25.57 ? 406 SER A C 1 ATOM 1552 O O . SER A 1 100 ? -3.942 -10.052 12.834 1.00 28.50 ? 406 SER A O 1 ATOM 1553 C CB . SER A 1 100 ? -1.565 -10.791 11.492 1.00 37.77 ? 406 SER A CB 1 ATOM 1554 O OG . SER A 1 100 ? -0.681 -11.892 11.618 1.00 56.73 ? 406 SER A OG 1 ATOM 1555 H H . SER A 1 100 ? -2.601 -10.616 9.206 1.00 36.18 ? 406 SER A H 1 ATOM 1556 H HA . SER A 1 100 ? -3.094 -12.157 11.365 1.00 38.70 ? 406 SER A HA 1 ATOM 1557 H HB2 . SER A 1 100 ? -1.205 -10.170 10.839 1.00 45.33 ? 406 SER A HB2 1 ATOM 1558 H HB3 . SER A 1 100 ? -1.650 -10.354 12.354 1.00 45.33 ? 406 SER A HB3 1 ATOM 1559 H HG . SER A 1 100 ? 0.074 -11.626 11.872 1.00 68.07 ? 406 SER A HG 1 ATOM 1560 N N . GLY A 1 101 ? -4.993 -9.894 10.861 1.00 21.23 ? 407 GLY A N 1 ATOM 1561 C CA . GLY A 1 101 ? -6.031 -9.025 11.366 1.00 22.38 ? 407 GLY A CA 1 ATOM 1562 C C . GLY A 1 101 ? -6.933 -9.755 12.353 1.00 19.96 ? 407 GLY A C 1 ATOM 1563 O O . GLY A 1 101 ? -6.728 -10.919 12.700 1.00 22.63 ? 407 GLY A O 1 ATOM 1564 H H . GLY A 1 101 ? -5.070 -10.077 10.024 1.00 25.47 ? 407 GLY A H 1 ATOM 1565 H HA2 . GLY A 1 101 ? -5.630 -8.264 11.815 1.00 26.86 ? 407 GLY A HA2 1 ATOM 1566 H HA3 . GLY A 1 101 ? -6.573 -8.701 10.629 1.00 26.86 ? 407 GLY A HA3 1 ATOM 1567 N N . PHE A 1 102 ? -8.004 -9.062 12.753 1.00 19.62 ? 408 PHE A N 1 ATOM 1568 C CA . PHE A 1 102 ? -8.856 -9.577 13.817 1.00 20.54 ? 408 PHE A CA 1 ATOM 1569 C C . PHE A 1 102 ? -9.570 -10.868 13.414 1.00 16.55 ? 408 PHE A C 1 ATOM 1570 O O . PHE A 1 102 ? -9.674 -11.788 14.225 1.00 18.23 ? 408 PHE A O 1 ATOM 1571 C CB . PHE A 1 102 ? -9.875 -8.522 14.238 1.00 16.27 ? 408 PHE A CB 1 ATOM 1572 C CG . PHE A 1 102 ? -9.297 -7.389 15.065 1.00 19.29 ? 408 PHE A CG 1 ATOM 1573 C CD1 . PHE A 1 102 ? -8.329 -7.622 16.017 1.00 18.04 ? 408 PHE A CD1 1 ATOM 1574 C CD2 . PHE A 1 102 ? -9.732 -6.076 14.865 1.00 23.54 ? 408 PHE A CD2 1 ATOM 1575 C CE1 . PHE A 1 102 ? -7.794 -6.562 16.810 1.00 18.42 ? 408 PHE A CE1 1 ATOM 1576 C CE2 . PHE A 1 102 ? -9.212 -5.033 15.625 1.00 21.87 ? 408 PHE A CE2 1 ATOM 1577 C CZ . PHE A 1 102 ? -8.238 -5.272 16.591 1.00 18.33 ? 408 PHE A CZ 1 ATOM 1578 H H . PHE A 1 102 ? -8.252 -8.305 12.428 1.00 23.54 ? 408 PHE A H 1 ATOM 1579 H HA . PHE A 1 102 ? -8.302 -9.776 14.589 1.00 24.65 ? 408 PHE A HA 1 ATOM 1580 H HB2 . PHE A 1 102 ? -10.269 -8.135 13.441 1.00 19.53 ? 408 PHE A HB2 1 ATOM 1581 H HB3 . PHE A 1 102 ? -10.565 -8.951 14.768 1.00 19.53 ? 408 PHE A HB3 1 ATOM 1582 H HD1 . PHE A 1 102 ? -8.034 -8.492 16.163 1.00 21.65 ? 408 PHE A HD1 1 ATOM 1583 H HD2 . PHE A 1 102 ? -10.383 -5.900 14.225 1.00 28.25 ? 408 PHE A HD2 1 ATOM 1584 H HE1 . PHE A 1 102 ? -7.141 -6.734 17.449 1.00 22.11 ? 408 PHE A HE1 1 ATOM 1585 H HE2 . PHE A 1 102 ? -9.513 -4.165 15.481 1.00 26.24 ? 408 PHE A HE2 1 ATOM 1586 H HZ . PHE A 1 102 ? -7.895 -4.568 17.093 1.00 21.99 ? 408 PHE A HZ 1 ATOM 1587 N N . LEU A 1 103 ? -10.119 -10.950 12.206 1.00 19.50 ? 409 LEU A N 1 ATOM 1588 C CA . LEU A 1 103 ? -10.935 -12.121 11.885 1.00 18.74 ? 409 LEU A CA 1 ATOM 1589 C C . LEU A 1 103 ? -10.140 -13.412 12.039 1.00 18.68 ? 409 LEU A C 1 ATOM 1590 O O . LEU A 1 103 ? -10.617 -14.362 12.667 1.00 19.46 ? 409 LEU A O 1 ATOM 1591 C CB . LEU A 1 103 ? -11.539 -12.026 10.484 1.00 21.66 ? 409 LEU A CB 1 ATOM 1592 C CG . LEU A 1 103 ? -12.704 -11.056 10.298 1.00 25.58 ? 409 LEU A CG 1 ATOM 1593 C CD1 . LEU A 1 103 ? -13.410 -11.375 9.009 1.00 23.02 ? 409 LEU A CD1 1 ATOM 1594 C CD2 . LEU A 1 103 ? -13.721 -11.083 11.422 1.00 24.98 ? 409 LEU A CD2 1 ATOM 1595 H H . LEU A 1 103 ? -10.041 -10.369 11.577 1.00 23.40 ? 409 LEU A H 1 ATOM 1596 H HA . LEU A 1 103 ? -11.672 -12.159 12.515 1.00 22.49 ? 409 LEU A HA 1 ATOM 1597 H HB2 . LEU A 1 103 ? -10.838 -11.752 9.872 1.00 25.99 ? 409 LEU A HB2 1 ATOM 1598 H HB3 . LEU A 1 103 ? -11.857 -12.907 10.233 1.00 25.99 ? 409 LEU A HB3 1 ATOM 1599 H HG . LEU A 1 103 ? -12.355 -10.153 10.233 1.00 30.69 ? 409 LEU A HG 1 ATOM 1600 H HD11 . LEU A 1 103 ? -14.149 -10.758 8.894 1.00 27.62 ? 409 LEU A HD11 1 ATOM 1601 H HD12 . LEU A 1 103 ? -12.783 -11.282 8.275 1.00 27.62 ? 409 LEU A HD12 1 ATOM 1602 H HD13 . LEU A 1 103 ? -13.742 -12.286 9.049 1.00 27.62 ? 409 LEU A HD13 1 ATOM 1603 H HD21 . LEU A 1 103 ? -14.423 -10.442 11.227 1.00 29.98 ? 409 LEU A HD21 1 ATOM 1604 H HD22 . LEU A 1 103 ? -14.095 -11.975 11.486 1.00 29.98 ? 409 LEU A HD22 1 ATOM 1605 H HD23 . LEU A 1 103 ? -13.279 -10.848 12.253 1.00 29.98 ? 409 LEU A HD23 1 ATOM 1606 N N . GLN A 1 104 ? -8.899 -13.443 11.561 1.00 18.06 ? 410 GLN A N 1 ATOM 1607 C CA . GLN A 1 104 ? -8.159 -14.697 11.598 1.00 22.10 ? 410 GLN A CA 1 ATOM 1608 C C . GLN A 1 104 ? -7.318 -14.869 12.851 1.00 20.61 ? 410 GLN A C 1 ATOM 1609 O O . GLN A 1 104 ? -6.918 -15.997 13.142 1.00 21.40 ? 410 GLN A O 1 ATOM 1610 C CB . GLN A 1 104 ? -7.269 -14.848 10.360 1.00 20.02 ? 410 GLN A CB 1 ATOM 1611 C CG . GLN A 1 104 ? -8.082 -14.855 9.055 1.00 17.75 ? 410 GLN A CG 1 ATOM 1612 C CD . GLN A 1 104 ? -7.271 -15.403 7.892 1.00 24.49 ? 410 GLN A CD 1 ATOM 1613 O OE1 . GLN A 1 104 ? -6.782 -16.532 7.950 1.00 22.65 ? 410 GLN A OE1 1 ATOM 1614 N NE2 . GLN A 1 104 ? -7.097 -14.593 6.848 1.00 23.01 ? 410 GLN A NE2 1 ATOM 1615 H H . GLN A 1 104 ? -8.475 -12.775 11.222 1.00 21.67 ? 410 GLN A H 1 ATOM 1616 H HA . GLN A 1 104 ? -8.800 -15.426 11.581 1.00 26.51 ? 410 GLN A HA 1 ATOM 1617 H HB2 . GLN A 1 104 ? -6.647 -14.105 10.324 1.00 24.02 ? 410 GLN A HB2 1 ATOM 1618 H HB3 . GLN A 1 104 ? -6.785 -15.686 10.417 1.00 24.02 ? 410 GLN A HB3 1 ATOM 1619 H HG2 . GLN A 1 104 ? -8.866 -15.415 9.170 1.00 21.30 ? 410 GLN A HG2 1 ATOM 1620 H HG3 . GLN A 1 104 ? -8.347 -13.947 8.839 1.00 21.30 ? 410 GLN A HG3 1 ATOM 1621 H HE21 . GLN A 1 104 ? -7.437 -13.803 6.855 1.00 27.61 ? 410 GLN A HE21 1 ATOM 1622 H HE22 . GLN A 1 104 ? -6.645 -14.861 6.167 1.00 27.61 ? 410 GLN A HE22 1 ATOM 1623 N N . SER A 1 105 ? -7.056 -13.795 13.602 1.00 17.96 ? 411 SER A N 1 ATOM 1624 C CA . SER A 1 105 ? -6.406 -13.929 14.904 1.00 21.74 ? 411 SER A CA 1 ATOM 1625 C C . SER A 1 105 ? -7.342 -14.521 15.941 1.00 18.97 ? 411 SER A C 1 ATOM 1626 O O . SER A 1 105 ? -6.891 -15.210 16.873 1.00 21.32 ? 411 SER A O 1 ATOM 1627 C CB . SER A 1 105 ? -5.926 -12.549 15.392 1.00 24.79 ? 411 SER A CB 1 ATOM 1628 O OG . SER A 1 105 ? -4.784 -12.112 14.703 1.00 26.11 ? 411 SER A OG 1 ATOM 1629 H H . SER A 1 105 ? -7.244 -12.985 13.381 1.00 21.55 ? 411 SER A H 1 ATOM 1630 H HA . SER A 1 105 ? -5.634 -14.510 14.820 1.00 26.08 ? 411 SER A HA 1 ATOM 1631 H HB2 . SER A 1 105 ? -6.638 -11.905 15.255 1.00 29.75 ? 411 SER A HB2 1 ATOM 1632 H HB3 . SER A 1 105 ? -5.715 -12.609 16.337 1.00 29.75 ? 411 SER A HB3 1 ATOM 1633 H HG . SER A 1 105 ? -4.155 -12.657 14.814 1.00 31.34 ? 411 SER A HG 1 ATOM 1634 N N . SER A 1 106 ? -8.642 -14.246 15.827 1.00 17.17 ? 412 SER A N 1 ATOM 1635 C CA . SER A 1 106 ? -9.537 -14.374 16.966 1.00 19.73 ? 412 SER A CA 1 ATOM 1636 C C . SER A 1 106 ? -10.908 -14.905 16.610 1.00 20.16 ? 412 SER A C 1 ATOM 1637 O O . SER A 1 106 ? -11.767 -14.967 17.502 1.00 18.03 ? 412 SER A O 1 ATOM 1638 C CB . SER A 1 106 ? -9.694 -12.992 17.659 1.00 18.36 ? 412 SER A CB 1 ATOM 1639 O OG . SER A 1 106 ? -8.397 -12.525 18.022 1.00 19.54 ? 412 SER A OG 1 ATOM 1640 H H . SER A 1 106 ? -9.025 -13.986 15.102 1.00 20.61 ? 412 SER A H 1 ATOM 1641 H HA . SER A 1 106 ? -9.141 -14.984 17.607 1.00 23.68 ? 412 SER A HA 1 ATOM 1642 H HB2 . SER A 1 106 ? -10.103 -12.365 17.042 1.00 22.03 ? 412 SER A HB2 1 ATOM 1643 H HB3 . SER A 1 106 ? -10.238 -13.089 18.456 1.00 22.03 ? 412 SER A HB3 1 ATOM 1644 H HG . SER A 1 106 ? -8.456 -11.777 18.399 1.00 23.44 ? 412 SER A HG 1 ATOM 1645 N N . ASN A 1 107 ? -11.145 -15.291 15.350 1.00 16.68 ? 413 ASN A N 1 ATOM 1646 C CA . ASN A 1 107 ? -12.445 -15.829 14.985 1.00 16.69 ? 413 ASN A CA 1 ATOM 1647 C C . ASN A 1 107 ? -12.320 -17.087 14.135 1.00 17.58 ? 413 ASN A C 1 ATOM 1648 O O . ASN A 1 107 ? -12.889 -18.107 14.499 1.00 19.13 ? 413 ASN A O 1 ATOM 1649 C CB . ASN A 1 107 ? -13.279 -14.777 14.255 1.00 17.88 ? 413 ASN A CB 1 ATOM 1650 C CG . ASN A 1 107 ? -13.488 -13.530 15.090 1.00 20.89 ? 413 ASN A CG 1 ATOM 1651 O OD1 . ASN A 1 107 ? -14.537 -13.350 15.716 1.00 16.57 ? 413 ASN A OD1 1 ATOM 1652 N ND2 . ASN A 1 107 ? -12.481 -12.664 15.107 1.00 15.69 ? 413 ASN A ND2 1 ATOM 1653 H H . ASN A 1 107 ? -10.577 -15.250 14.705 1.00 20.02 ? 413 ASN A H 1 ATOM 1654 H HA . ASN A 1 107 ? -12.919 -16.069 15.796 1.00 20.03 ? 413 ASN A HA 1 ATOM 1655 H HB2 . ASN A 1 107 ? -12.822 -14.520 13.439 1.00 21.46 ? 413 ASN A HB2 1 ATOM 1656 H HB3 . ASN A 1 107 ? -14.149 -15.150 14.047 1.00 21.46 ? 413 ASN A HB3 1 ATOM 1657 H HD21 . ASN A 1 107 ? -12.546 -11.939 15.565 1.00 18.82 ? 413 ASN A HD21 1 ATOM 1658 H HD22 . ASN A 1 107 ? -11.765 -12.828 14.660 1.00 18.82 ? 413 ASN A HD22 1 ATOM 1659 N N . TYR A 1 108 ? -11.651 -16.994 12.980 1.00 20.18 ? 414 TYR A N 1 ATOM 1660 C CA . TYR A 1 108 ? -11.564 -18.077 12.001 1.00 15.93 ? 414 TYR A CA 1 ATOM 1661 C C . TYR A 1 108 ? -10.257 -17.944 11.246 1.00 19.18 ? 414 TYR A C 1 ATOM 1662 O O . TYR A 1 108 ? -10.078 -16.965 10.513 1.00 17.85 ? 414 TYR A O 1 ATOM 1663 C CB . TYR A 1 108 ? -12.717 -18.043 10.998 1.00 18.40 ? 414 TYR A CB 1 ATOM 1664 C CG . TYR A 1 108 ? -12.647 -19.165 9.967 1.00 19.95 ? 414 TYR A CG 1 ATOM 1665 C CD1 . TYR A 1 108 ? -13.237 -20.389 10.219 1.00 18.39 ? 414 TYR A CD1 1 ATOM 1666 C CD2 . TYR A 1 108 ? -11.992 -18.989 8.741 1.00 20.49 ? 414 TYR A CD2 1 ATOM 1667 C CE1 . TYR A 1 108 ? -13.191 -21.429 9.299 1.00 18.20 ? 414 TYR A CE1 1 ATOM 1668 C CE2 . TYR A 1 108 ? -11.934 -20.019 7.811 1.00 16.25 ? 414 TYR A CE2 1 ATOM 1669 C CZ . TYR A 1 108 ? -12.546 -21.229 8.080 1.00 20.94 ? 414 TYR A CZ 1 ATOM 1670 O OH . TYR A 1 108 ? -12.478 -22.258 7.168 1.00 21.98 ? 414 TYR A OH 1 ATOM 1671 H H . TYR A 1 108 ? -11.225 -16.287 12.737 1.00 24.22 ? 414 TYR A H 1 ATOM 1672 H HA . TYR A 1 108 ? -11.575 -18.933 12.457 1.00 19.12 ? 414 TYR A HA 1 ATOM 1673 H HB2 . TYR A 1 108 ? -13.555 -18.129 11.478 1.00 22.08 ? 414 TYR A HB2 1 ATOM 1674 H HB3 . TYR A 1 108 ? -12.694 -17.198 10.522 1.00 22.08 ? 414 TYR A HB3 1 ATOM 1675 H HD1 . TYR A 1 108 ? -13.678 -20.521 11.027 1.00 22.07 ? 414 TYR A HD1 1 ATOM 1676 H HD2 . TYR A 1 108 ? -11.587 -18.174 8.549 1.00 24.59 ? 414 TYR A HD2 1 ATOM 1677 H HE1 . TYR A 1 108 ? -13.596 -22.244 9.489 1.00 21.83 ? 414 TYR A HE1 1 ATOM 1678 H HE2 . TYR A 1 108 ? -11.498 -19.890 7.000 1.00 19.49 ? 414 TYR A HE2 1 ATOM 1679 H HH . TYR A 1 108 ? -12.863 -22.939 7.475 1.00 26.38 ? 414 TYR A HH 1 ATOM 1680 N N . LYS A 1 109 ? -9.367 -18.927 11.411 1.00 15.78 ? 415 LYS A N 1 ATOM 1681 C CA . LYS A 1 109 ? -8.087 -18.942 10.725 1.00 20.29 ? 415 LYS A CA 1 ATOM 1682 C C . LYS A 1 109 ? -8.222 -19.774 9.449 1.00 20.54 ? 415 LYS A C 1 ATOM 1683 O O . LYS A 1 109 ? -8.559 -20.965 9.507 1.00 19.84 ? 415 LYS A O 1 ATOM 1684 C CB . LYS A 1 109 ? -6.979 -19.515 11.600 1.00 19.51 ? 415 LYS A CB 1 ATOM 1685 C CG . LYS A 1 109 ? -5.593 -19.193 11.064 1.00 31.06 ? 415 LYS A CG 1 ATOM 1686 C CD . LYS A 1 109 ? -4.507 -19.838 11.870 1.00 45.93 ? 415 LYS A CD 1 ATOM 1687 C CE . LYS A 1 109 ? -3.121 -19.456 11.342 1.00 51.25 ? 415 LYS A CE 1 ATOM 1688 N NZ . LYS A 1 109 ? -2.086 -20.384 11.895 1.00 76.18 ? 415 LYS A NZ 1 ATOM 1689 H H . LYS A 1 109 ? -9.491 -19.606 11.924 1.00 18.93 ? 415 LYS A H 1 ATOM 1690 H HA . LYS A 1 109 ? -7.844 -18.037 10.477 1.00 24.35 ? 415 LYS A HA 1 ATOM 1691 H HB2 . LYS A 1 109 ? -7.052 -19.139 12.491 1.00 23.41 ? 415 LYS A HB2 1 ATOM 1692 H HB3 . LYS A 1 109 ? -7.071 -20.480 11.637 1.00 23.41 ? 415 LYS A HB3 1 ATOM 1693 H HG2 . LYS A 1 109 ? -5.523 -19.515 10.152 1.00 37.27 ? 415 LYS A HG2 1 ATOM 1694 H HG3 . LYS A 1 109 ? -5.458 -18.233 11.089 1.00 37.27 ? 415 LYS A HG3 1 ATOM 1695 H HD2 . LYS A 1 109 ? -4.573 -19.543 12.792 1.00 55.11 ? 415 LYS A HD2 1 ATOM 1696 H HD3 . LYS A 1 109 ? -4.598 -20.802 11.818 1.00 55.11 ? 415 LYS A HD3 1 ATOM 1697 H HE2 . LYS A 1 109 ? -3.112 -19.525 10.375 1.00 61.50 ? 415 LYS A HE2 1 ATOM 1698 H HE3 . LYS A 1 109 ? -2.906 -18.552 11.620 1.00 61.50 ? 415 LYS A HE3 1 ATOM 1699 H HZ1 . LYS A 1 109 ? -1.282 -20.160 11.587 1.00 91.41 ? 415 LYS A HZ1 1 ATOM 1700 H HZ2 . LYS A 1 109 ? -2.079 -20.336 12.784 1.00 91.41 ? 415 LYS A HZ2 1 ATOM 1701 H HZ3 . LYS A 1 109 ? -2.267 -21.220 11.651 1.00 91.41 ? 415 LYS A HZ3 1 ATOM 1702 N N . ILE A 1 110 ? -7.945 -19.160 8.306 1.00 21.12 ? 416 ILE A N 1 ATOM 1703 C CA . ILE A 1 110 ? -8.008 -19.880 7.031 1.00 21.39 ? 416 ILE A CA 1 ATOM 1704 C C . ILE A 1 110 ? -6.754 -20.721 6.897 1.00 21.93 ? 416 ILE A C 1 ATOM 1705 O O . ILE A 1 110 ? -5.643 -20.192 6.846 1.00 26.58 ? 416 ILE A O 1 ATOM 1706 C CB . ILE A 1 110 ? -8.144 -18.930 5.833 1.00 21.11 ? 416 ILE A CB 1 ATOM 1707 C CG1 . ILE A 1 110 ? -9.364 -18.036 5.959 1.00 23.93 ? 416 ILE A CG1 1 ATOM 1708 C CG2 . ILE A 1 110 ? -8.279 -19.756 4.534 1.00 23.06 ? 416 ILE A CG2 1 ATOM 1709 C CD1 . ILE A 1 110 ? -9.332 -16.856 4.998 1.00 23.78 ? 416 ILE A CD1 1 ATOM 1710 H H . ILE A 1 110 ? -7.718 -18.334 8.236 1.00 25.34 ? 416 ILE A H 1 ATOM 1711 H HA . ILE A 1 110 ? -8.775 -20.475 7.036 1.00 25.67 ? 416 ILE A HA 1 ATOM 1712 H HB . ILE A 1 110 ? -7.349 -18.377 5.776 1.00 25.33 ? 416 ILE A HB 1 ATOM 1713 H HG12 . ILE A 1 110 ? -10.159 -18.557 5.768 1.00 28.71 ? 416 ILE A HG12 1 ATOM 1714 H HG13 . ILE A 1 110 ? -9.406 -17.685 6.863 1.00 28.71 ? 416 ILE A HG13 1 ATOM 1715 H HG21 . ILE A 1 110 ? -8.365 -19.149 3.782 1.00 27.67 ? 416 ILE A HG21 1 ATOM 1716 H HG22 . ILE A 1 110 ? -7.488 -20.307 4.427 1.00 27.67 ? 416 ILE A HG22 1 ATOM 1717 H HG23 . ILE A 1 110 ? -9.068 -20.317 4.598 1.00 27.67 ? 416 ILE A HG23 1 ATOM 1718 H HD11 . ILE A 1 110 ? -10.133 -16.324 5.125 1.00 28.54 ? 416 ILE A HD11 1 ATOM 1719 H HD12 . ILE A 1 110 ? -8.545 -16.320 5.183 1.00 28.54 ? 416 ILE A HD12 1 ATOM 1720 H HD13 . ILE A 1 110 ? -9.298 -17.191 4.088 1.00 28.54 ? 416 ILE A HD13 1 ATOM 1721 N N . ASP A 1 111 ? -6.930 -22.028 6.833 1.00 21.44 ? 417 ASP A N 1 ATOM 1722 C CA . ASP A 1 111 ? -5.816 -22.942 6.642 1.00 22.27 ? 417 ASP A CA 1 ATOM 1723 C C . ASP A 1 111 ? -5.211 -22.717 5.258 1.00 20.56 ? 417 ASP A C 1 ATOM 1724 O O . ASP A 1 111 ? -5.906 -22.831 4.241 1.00 23.64 ? 417 ASP A O 1 ATOM 1725 C CB . ASP A 1 111 ? -6.330 -24.371 6.807 1.00 19.31 ? 417 ASP A CB 1 ATOM 1726 C CG . ASP A 1 111 ? -5.218 -25.422 6.779 1.00 34.86 ? 417 ASP A CG 1 ATOM 1727 O OD1 . ASP A 1 111 ? -4.054 -25.087 6.490 1.00 36.45 ? 417 ASP A OD1 1 ATOM 1728 O OD2 . ASP A 1 111 ? -5.522 -26.592 7.072 1.00 39.94 ? 417 ASP A OD2 1 ATOM 1729 H H . ASP A 1 111 ? -7.694 -22.417 6.899 1.00 25.73 ? 417 ASP A H 1 ATOM 1730 H HA . ASP A 1 111 ? -5.134 -22.775 7.312 1.00 26.72 ? 417 ASP A HA 1 ATOM 1731 H HB2 . ASP A 1 111 ? -6.788 -24.444 7.659 1.00 23.17 ? 417 ASP A HB2 1 ATOM 1732 H HB3 . ASP A 1 111 ? -6.946 -24.569 6.084 1.00 23.17 ? 417 ASP A HB3 1 ATOM 1733 N N . THR A 1 112 ? -3.922 -22.385 5.219 1.00 21.84 ? 418 THR A N 1 ATOM 1734 C CA . THR A 1 112 ? -3.241 -22.132 3.963 1.00 23.53 ? 418 THR A CA 1 ATOM 1735 C C . THR A 1 112 ? -2.486 -23.349 3.432 1.00 28.76 ? 418 THR A C 1 ATOM 1736 O O . THR A 1 112 ? -1.939 -23.266 2.329 1.00 26.84 ? 418 THR A O 1 ATOM 1737 C CB . THR A 1 112 ? -2.243 -20.988 4.113 1.00 31.08 ? 418 THR A CB 1 ATOM 1738 O OG1 . THR A 1 112 ? -1.193 -21.421 4.977 1.00 28.47 ? 418 THR A OG1 1 ATOM 1739 C CG2 . THR A 1 112 ? -2.927 -19.720 4.688 1.00 27.77 ? 418 THR A CG2 1 ATOM 1740 H H . THR A 1 112 ? -3.421 -22.300 5.913 1.00 26.21 ? 418 THR A H 1 ATOM 1741 H HA . THR A 1 112 ? -3.897 -21.872 3.297 1.00 28.24 ? 418 THR A HA 1 ATOM 1742 H HB . THR A 1 112 ? -1.873 -20.769 3.244 1.00 37.29 ? 418 THR A HB 1 ATOM 1743 H HG1 . THR A 1 112 ? -1.506 -21.626 5.730 1.00 34.17 ? 418 THR A HG1 1 ATOM 1744 H HG21 . THR A 1 112 ? -2.277 -19.004 4.776 1.00 33.32 ? 418 THR A HG21 1 ATOM 1745 H HG22 . THR A 1 112 ? -3.637 -19.429 4.095 1.00 33.32 ? 418 THR A HG22 1 ATOM 1746 H HG23 . THR A 1 112 ? -3.303 -19.913 5.560 1.00 33.32 ? 418 THR A HG23 1 ATOM 1747 N N . THR A 1 113 ? -2.404 -24.451 4.193 1.00 27.56 ? 419 THR A N 1 ATOM 1748 C CA . THR A 1 113 ? -1.690 -25.648 3.733 1.00 29.19 ? 419 THR A CA 1 ATOM 1749 C C . THR A 1 113 ? -2.583 -26.639 2.996 1.00 30.56 ? 419 THR A C 1 ATOM 1750 O O . THR A 1 113 ? -2.071 -27.490 2.262 1.00 37.87 ? 419 THR A O 1 ATOM 1751 C CB . THR A 1 113 ? -1.031 -26.380 4.911 1.00 29.07 ? 419 THR A CB 1 ATOM 1752 O OG1 . THR A 1 113 ? -2.040 -26.917 5.761 1.00 33.92 ? 419 THR A OG1 1 ATOM 1753 C CG2 . THR A 1 113 ? -0.166 -25.455 5.702 1.00 36.03 ? 419 THR A CG2 1 ATOM 1754 H H . THR A 1 113 ? -2.752 -24.528 4.976 1.00 33.07 ? 419 THR A H 1 ATOM 1755 H HA . THR A 1 113 ? -0.986 -25.375 3.124 1.00 35.03 ? 419 THR A HA 1 ATOM 1756 H HB . THR A 1 113 ? -0.478 -27.102 4.573 1.00 34.89 ? 419 THR A HB 1 ATOM 1757 H HG1 . THR A 1 113 ? -2.525 -26.298 6.057 1.00 40.70 ? 419 THR A HG1 1 ATOM 1758 H HG21 . THR A 1 113 ? 0.242 -25.934 6.441 1.00 43.24 ? 419 THR A HG21 1 ATOM 1759 H HG22 . THR A 1 113 ? 0.534 -25.092 5.137 1.00 43.24 ? 419 THR A HG22 1 ATOM 1760 H HG23 . THR A 1 113 ? -0.697 -24.724 6.054 1.00 43.24 ? 419 THR A HG23 1 ATOM 1761 N N . SER A 1 114 ? -3.892 -26.569 3.177 1.00 24.22 ? 420 SER A N 1 ATOM 1762 C CA . SER A 1 114 ? -4.809 -27.482 2.510 1.00 29.11 ? 420 SER A CA 1 ATOM 1763 C C . SER A 1 114 ? -5.121 -26.996 1.095 1.00 22.65 ? 420 SER A C 1 ATOM 1764 O O . SER A 1 114 ? -4.820 -25.865 0.730 1.00 23.37 ? 420 SER A O 1 ATOM 1765 C CB . SER A 1 114 ? -6.099 -27.599 3.316 1.00 39.68 ? 420 SER A CB 1 ATOM 1766 O OG . SER A 1 114 ? -6.726 -26.324 3.407 1.00 41.77 ? 420 SER A OG 1 ATOM 1767 H H . SER A 1 114 ? -4.280 -25.994 3.687 1.00 29.06 ? 420 SER A H 1 ATOM 1768 H HA . SER A 1 114 ? -4.403 -28.361 2.451 1.00 34.93 ? 420 SER A HA 1 ATOM 1769 H HB2 . SER A 1 114 ? -6.699 -28.218 2.872 1.00 47.62 ? 420 SER A HB2 1 ATOM 1770 H HB3 . SER A 1 114 ? -5.891 -27.916 4.209 1.00 47.62 ? 420 SER A HB3 1 ATOM 1771 H HG . SER A 1 114 ? -7.437 -26.384 3.850 1.00 50.12 ? 420 SER A HG 1 ATOM 1772 N N . SER A 1 115 ? -5.744 -27.869 0.292 1.00 20.57 ? 421 SER A N 1 ATOM 1773 C CA . SER A 1 115 ? -6.342 -27.476 -0.975 1.00 23.70 ? 421 SER A CA 1 ATOM 1774 C C . SER A 1 115 ? -7.707 -26.889 -0.669 1.00 22.25 ? 421 SER A C 1 ATOM 1775 O O . SER A 1 115 ? -8.550 -27.571 -0.085 1.00 24.28 ? 421 SER A O 1 ATOM 1776 C CB . SER A 1 115 ? -6.458 -28.687 -1.918 1.00 27.31 ? 421 SER A CB 1 ATOM 1777 O OG . SER A 1 115 ? -5.159 -29.140 -2.264 1.00 29.87 ? 421 SER A OG 1 ATOM 1778 H H . SER A 1 115 ? -5.831 -28.706 0.469 1.00 24.68 ? 421 SER A H 1 ATOM 1779 H HA . SER A 1 115 ? -5.796 -26.797 -1.401 1.00 28.44 ? 421 SER A HA 1 ATOM 1780 H HB2 . SER A 1 115 ? -6.937 -29.400 -1.467 1.00 32.77 ? 421 SER A HB2 1 ATOM 1781 H HB3 . SER A 1 115 ? -6.930 -28.422 -2.723 1.00 32.77 ? 421 SER A HB3 1 ATOM 1782 H HG . SER A 1 115 ? -4.735 -28.527 -2.651 1.00 35.84 ? 421 SER A HG 1 ATOM 1783 N N . SER A 1 116 ? -7.899 -25.607 -0.970 1.00 21.71 ? 422 SER A N 1 ATOM 1784 C CA . SER A 1 116 ? -9.118 -24.932 -0.543 1.00 22.67 ? 422 SER A CA 1 ATOM 1785 C C . SER A 1 116 ? -9.532 -23.884 -1.561 1.00 20.63 ? 422 SER A C 1 ATOM 1786 O O . SER A 1 116 ? -8.732 -23.424 -2.379 1.00 27.83 ? 422 SER A O 1 ATOM 1787 C CB . SER A 1 116 ? -8.954 -24.254 0.836 1.00 25.62 ? 422 SER A CB 1 ATOM 1788 O OG . SER A 1 116 ? -8.090 -23.133 0.717 1.00 27.49 ? 422 SER A OG 1 ATOM 1789 H H . SER A 1 116 ? -7.349 -25.114 -1.411 1.00 26.06 ? 422 SER A H 1 ATOM 1790 H HA . SER A 1 116 ? -9.833 -25.584 -0.475 1.00 27.20 ? 422 SER A HA 1 ATOM 1791 H HB2 . SER A 1 116 ? -9.822 -23.956 1.151 1.00 30.74 ? 422 SER A HB2 1 ATOM 1792 H HB3 . SER A 1 116 ? -8.569 -24.889 1.460 1.00 30.74 ? 422 SER A HB3 1 ATOM 1793 H HG . SER A 1 116 ? -7.336 -23.379 0.440 1.00 32.99 ? 422 SER A HG 1 ATOM 1794 N N . CYS A 1 117 ? -10.809 -23.508 -1.494 1.00 23.16 ? 423 CYS A N 1 ATOM 1795 C CA A CYS A 1 117 ? -11.349 -22.419 -2.287 0.72 21.72 ? 423 CYS A CA 1 ATOM 1796 C CA B CYS A 1 117 ? -11.367 -22.423 -2.286 0.28 21.78 ? 423 CYS A CA 1 ATOM 1797 C C . CYS A 1 117 ? -12.137 -21.462 -1.389 1.00 24.40 ? 423 CYS A C 1 ATOM 1798 O O . CYS A 1 117 ? -12.822 -21.883 -0.457 1.00 21.97 ? 423 CYS A O 1 ATOM 1799 C CB A CYS A 1 117 ? -12.205 -22.965 -3.422 0.72 24.74 ? 423 CYS A CB 1 ATOM 1800 C CB B CYS A 1 117 ? -12.314 -22.951 -3.362 0.28 24.67 ? 423 CYS A CB 1 ATOM 1801 S SG A CYS A 1 117 ? -11.319 -24.209 -4.456 0.72 25.10 ? 423 CYS A SG 1 ATOM 1802 S SG B CYS A 1 117 ? -12.161 -24.726 -3.717 0.28 25.66 ? 423 CYS A SG 1 ATOM 1803 H H . CYS A 1 117 ? -11.386 -23.884 -0.979 1.00 27.79 ? 423 CYS A H 1 ATOM 1804 H HA . CYS A 1 117 ? -10.632 -21.927 -2.700 1.00 26.14 ? 423 CYS A HA 1 ATOM 1805 H HB2 A CYS A 1 117 ? -12.991 -23.393 -3.047 0.72 29.69 ? 423 CYS A HB2 1 ATOM 1806 H HB2 B CYS A 1 117 ? -13.226 -22.787 -3.076 0.28 29.60 ? 423 CYS A HB2 1 ATOM 1807 H HB3 A CYS A 1 117 ? -12.470 -22.231 -3.999 0.72 29.69 ? 423 CYS A HB3 1 ATOM 1808 H HB3 B CYS A 1 117 ? -12.141 -22.471 -4.187 0.28 29.60 ? 423 CYS A HB3 1 ATOM 1809 H HG B CYS A 1 117 ? -11.045 -24.954 -4.093 0.28 30.79 ? 423 CYS A HG 1 ATOM 1810 N N . GLN A 1 118 ? -12.042 -20.165 -1.677 1.00 20.25 ? 424 GLN A N 1 ATOM 1811 C CA . GLN A 1 118 ? -12.769 -19.154 -0.915 1.00 22.68 ? 424 GLN A CA 1 ATOM 1812 C C . GLN A 1 118 ? -13.818 -18.523 -1.815 1.00 22.20 ? 424 GLN A C 1 ATOM 1813 O O . GLN A 1 118 ? -13.511 -18.076 -2.927 1.00 20.63 ? 424 GLN A O 1 ATOM 1814 C CB . GLN A 1 118 ? -11.825 -18.111 -0.339 1.00 23.54 ? 424 GLN A CB 1 ATOM 1815 C CG . GLN A 1 118 ? -10.895 -18.667 0.702 1.00 20.44 ? 424 GLN A CG 1 ATOM 1816 C CD . GLN A 1 118 ? -9.747 -19.459 0.117 1.00 29.03 ? 424 GLN A CD 1 ATOM 1817 O OE1 . GLN A 1 118 ? -9.076 -19.002 -0.803 1.00 23.02 ? 424 GLN A OE1 1 ATOM 1818 N NE2 . GLN A 1 118 ? -9.515 -20.657 0.646 1.00 22.21 ? 424 GLN A NE2 1 ATOM 1819 H H . GLN A 1 118 ? -11.560 -19.844 -2.313 1.00 24.30 ? 424 GLN A H 1 ATOM 1820 H HA . GLN A 1 118 ? -13.227 -19.584 -0.177 1.00 27.21 ? 424 GLN A HA 1 ATOM 1821 H HB2 . GLN A 1 118 ? -11.286 -17.744 -1.056 1.00 28.25 ? 424 GLN A HB2 1 ATOM 1822 H HB3 . GLN A 1 118 ? -12.349 -17.407 0.074 1.00 28.25 ? 424 GLN A HB3 1 ATOM 1823 H HG2 . GLN A 1 118 ? -10.521 -17.933 1.214 1.00 24.53 ? 424 GLN A HG2 1 ATOM 1824 H HG3 . GLN A 1 118 ? -11.396 -19.257 1.288 1.00 24.53 ? 424 GLN A HG3 1 ATOM 1825 H HE21 . GLN A 1 118 ? -10.008 -20.946 1.289 1.00 26.65 ? 424 GLN A HE21 1 ATOM 1826 H HE22 . GLN A 1 118 ? -8.873 -21.143 0.345 1.00 26.65 ? 424 GLN A HE22 1 ATOM 1827 N N . LEU A 1 119 ? -15.063 -18.579 -1.367 1.00 22.85 ? 425 LEU A N 1 ATOM 1828 C CA . LEU A 1 119 ? -16.214 -18.086 -2.103 1.00 20.69 ? 425 LEU A CA 1 ATOM 1829 C C . LEU A 1 119 ? -16.758 -16.852 -1.404 1.00 27.23 ? 425 LEU A C 1 ATOM 1830 O O . LEU A 1 119 ? -17.145 -16.917 -0.227 1.00 26.00 ? 425 LEU A O 1 ATOM 1831 C CB . LEU A 1 119 ? -17.297 -19.151 -2.178 1.00 22.70 ? 425 LEU A CB 1 ATOM 1832 C CG . LEU A 1 119 ? -18.679 -18.657 -2.624 1.00 25.92 ? 425 LEU A CG 1 ATOM 1833 C CD1 . LEU A 1 119 ? -18.591 -18.297 -4.043 1.00 23.75 ? 425 LEU A CD1 1 ATOM 1834 C CD2 . LEU A 1 119 ? -19.695 -19.759 -2.413 1.00 34.30 ? 425 LEU A CD2 1 ATOM 1835 H H . LEU A 1 119 ? -15.273 -18.914 -0.604 1.00 27.43 ? 425 LEU A H 1 ATOM 1836 H HA . LEU A 1 119 ? -15.949 -17.844 -3.004 1.00 24.82 ? 425 LEU A HA 1 ATOM 1837 H HB2 . LEU A 1 119 ? -17.015 -19.832 -2.808 1.00 27.24 ? 425 LEU A HB2 1 ATOM 1838 H HB3 . LEU A 1 119 ? -17.400 -19.547 -1.298 1.00 27.24 ? 425 LEU A HB3 1 ATOM 1839 H HG . LEU A 1 119 ? -18.940 -17.877 -2.110 1.00 31.10 ? 425 LEU A HG 1 ATOM 1840 H HD11 . LEU A 1 119 ? -19.458 -17.982 -4.343 1.00 28.49 ? 425 LEU A HD11 1 ATOM 1841 H HD12 . LEU A 1 119 ? -17.929 -17.597 -4.150 1.00 28.49 ? 425 LEU A HD12 1 ATOM 1842 H HD13 . LEU A 1 119 ? -18.330 -19.081 -4.552 1.00 28.49 ? 425 LEU A HD13 1 ATOM 1843 H HD21 . LEU A 1 119 ? -20.567 -19.442 -2.696 1.00 41.16 ? 425 LEU A HD21 1 ATOM 1844 H HD22 . LEU A 1 119 ? -19.436 -20.531 -2.939 1.00 41.16 ? 425 LEU A HD22 1 ATOM 1845 H HD23 . LEU A 1 119 ? -19.717 -19.992 -1.472 1.00 41.16 ? 425 LEU A HD23 1 ATOM 1846 N N . TYR A 1 120 ? -16.773 -15.735 -2.113 1.00 18.96 ? 426 TYR A N 1 ATOM 1847 C CA . TYR A 1 120 ? -17.436 -14.525 -1.650 1.00 21.04 ? 426 TYR A CA 1 ATOM 1848 C C . TYR A 1 120 ? -18.770 -14.399 -2.369 1.00 26.03 ? 426 TYR A C 1 ATOM 1849 O O . TYR A 1 120 ? -18.804 -14.361 -3.605 1.00 19.91 ? 426 TYR A O 1 ATOM 1850 C CB . TYR A 1 120 ? -16.560 -13.303 -1.909 1.00 21.73 ? 426 TYR A CB 1 ATOM 1851 C CG . TYR A 1 120 ? -15.317 -13.336 -1.082 1.00 22.48 ? 426 TYR A CG 1 ATOM 1852 C CD1 . TYR A 1 120 ? -14.218 -14.077 -1.479 1.00 19.08 ? 426 TYR A CD1 1 ATOM 1853 C CD2 . TYR A 1 120 ? -15.241 -12.617 0.103 1.00 22.82 ? 426 TYR A CD2 1 ATOM 1854 C CE1 . TYR A 1 120 ? -13.081 -14.147 -0.710 1.00 23.66 ? 426 TYR A CE1 1 ATOM 1855 C CE2 . TYR A 1 120 ? -14.110 -12.662 0.884 1.00 28.87 ? 426 TYR A CE2 1 ATOM 1856 C CZ . TYR A 1 120 ? -13.036 -13.404 0.484 1.00 29.41 ? 426 TYR A CZ 1 ATOM 1857 O OH . TYR A 1 120 ? -11.931 -13.393 1.298 1.00 25.23 ? 426 TYR A OH 1 ATOM 1858 H H . TYR A 1 120 ? -16.399 -15.650 -2.883 1.00 22.75 ? 426 TYR A H 1 ATOM 1859 H HA . TYR A 1 120 ? -17.603 -14.590 -0.696 1.00 25.25 ? 426 TYR A HA 1 ATOM 1860 H HB2 . TYR A 1 120 ? -16.302 -13.287 -2.844 1.00 26.08 ? 426 TYR A HB2 1 ATOM 1861 H HB3 . TYR A 1 120 ? -17.055 -12.500 -1.683 1.00 26.08 ? 426 TYR A HB3 1 ATOM 1862 H HD1 . TYR A 1 120 ? -14.264 -14.569 -2.267 1.00 22.89 ? 426 TYR A HD1 1 ATOM 1863 H HD2 . TYR A 1 120 ? -15.972 -12.115 0.383 1.00 27.39 ? 426 TYR A HD2 1 ATOM 1864 H HE1 . TYR A 1 120 ? -12.347 -14.646 -0.989 1.00 28.39 ? 426 TYR A HE1 1 ATOM 1865 H HE2 . TYR A 1 120 ? -14.071 -12.175 1.676 1.00 34.65 ? 426 TYR A HE2 1 ATOM 1866 H HH . TYR A 1 120 ? -11.329 -13.880 0.971 1.00 30.27 ? 426 TYR A HH 1 ATOM 1867 N N . TYR A 1 121 ? -19.861 -14.323 -1.599 1.00 19.14 ? 427 TYR A N 1 ATOM 1868 C CA . TYR A 1 121 ? -21.209 -14.293 -2.158 1.00 20.53 ? 427 TYR A CA 1 ATOM 1869 C C . TYR A 1 121 ? -22.087 -13.429 -1.270 1.00 23.83 ? 427 TYR A C 1 ATOM 1870 O O . TYR A 1 121 ? -21.629 -12.870 -0.268 1.00 23.70 ? 427 TYR A O 1 ATOM 1871 C CB . TYR A 1 121 ? -21.779 -15.718 -2.335 1.00 22.91 ? 427 TYR A CB 1 ATOM 1872 C CG . TYR A 1 121 ? -22.125 -16.461 -1.068 1.00 19.70 ? 427 TYR A CG 1 ATOM 1873 C CD1 . TYR A 1 121 ? -21.134 -17.002 -0.273 1.00 21.59 ? 427 TYR A CD1 1 ATOM 1874 C CD2 . TYR A 1 121 ? -23.447 -16.662 -0.694 1.00 19.53 ? 427 TYR A CD2 1 ATOM 1875 C CE1 . TYR A 1 121 ? -21.448 -17.711 0.900 1.00 21.53 ? 427 TYR A CE1 1 ATOM 1876 C CE2 . TYR A 1 121 ? -23.765 -17.370 0.484 1.00 20.67 ? 427 TYR A CE2 1 ATOM 1877 C CZ . TYR A 1 121 ? -22.758 -17.883 1.260 1.00 18.59 ? 427 TYR A CZ 1 ATOM 1878 O OH . TYR A 1 121 ? -23.049 -18.590 2.415 1.00 22.10 ? 427 TYR A OH 1 ATOM 1879 H H . TYR A 1 121 ? -19.842 -14.287 -0.740 1.00 22.97 ? 427 TYR A H 1 ATOM 1880 H HA . TYR A 1 121 ? -21.175 -13.878 -3.034 1.00 24.64 ? 427 TYR A HA 1 ATOM 1881 H HB2 . TYR A 1 121 ? -22.590 -15.657 -2.864 1.00 27.49 ? 427 TYR A HB2 1 ATOM 1882 H HB3 . TYR A 1 121 ? -21.124 -16.251 -2.811 1.00 27.49 ? 427 TYR A HB3 1 ATOM 1883 H HD1 . TYR A 1 121 ? -20.242 -16.885 -0.511 1.00 25.90 ? 427 TYR A HD1 1 ATOM 1884 H HD2 . TYR A 1 121 ? -24.130 -16.311 -1.218 1.00 23.43 ? 427 TYR A HD2 1 ATOM 1885 H HE1 . TYR A 1 121 ? -20.769 -18.062 1.430 1.00 25.84 ? 427 TYR A HE1 1 ATOM 1886 H HE2 . TYR A 1 121 ? -24.654 -17.493 0.730 1.00 24.81 ? 427 TYR A HE2 1 ATOM 1887 H HH . TYR A 1 121 ? -23.880 -18.626 2.527 1.00 26.52 ? 427 TYR A HH 1 ATOM 1888 N N . SER A 1 122 ? -23.365 -13.331 -1.629 1.00 21.37 ? 428 SER A N 1 ATOM 1889 C CA . SER A 1 122 ? -24.260 -12.494 -0.846 1.00 22.53 ? 428 SER A CA 1 ATOM 1890 C C . SER A 1 122 ? -25.686 -13.009 -0.923 1.00 27.93 ? 428 SER A C 1 ATOM 1891 O O . SER A 1 122 ? -26.042 -13.826 -1.785 1.00 23.01 ? 428 SER A O 1 ATOM 1892 C CB . SER A 1 122 ? -24.207 -11.024 -1.299 1.00 28.43 ? 428 SER A CB 1 ATOM 1893 O OG . SER A 1 122 ? -24.742 -10.855 -2.577 1.00 26.98 ? 428 SER A OG 1 ATOM 1894 H H . SER A 1 122 ? -23.727 -13.726 -2.301 1.00 25.65 ? 428 SER A H 1 ATOM 1895 H HA . SER A 1 122 ? -23.983 -12.527 0.083 1.00 27.03 ? 428 SER A HA 1 ATOM 1896 H HB2 . SER A 1 122 ? -24.716 -10.485 -0.673 1.00 34.11 ? 428 SER A HB2 1 ATOM 1897 H HB3 . SER A 1 122 ? -23.282 -10.733 -1.307 1.00 34.11 ? 428 SER A HB3 1 ATOM 1898 N N . LEU A 1 123 ? -26.480 -12.543 0.037 1.00 24.67 ? 429 LEU A N 1 ATOM 1899 C CA . LEU A 1 123 ? -27.900 -12.807 0.185 1.00 19.60 ? 429 LEU A CA 1 ATOM 1900 C C . LEU A 1 123 ? -28.661 -11.501 0.346 1.00 26.52 ? 429 LEU A C 1 ATOM 1901 O O . LEU A 1 123 ? -28.112 -10.519 0.870 1.00 29.34 ? 429 LEU A O 1 ATOM 1902 C CB . LEU A 1 123 ? -28.169 -13.693 1.406 1.00 21.94 ? 429 LEU A CB 1 ATOM 1903 C CG . LEU A 1 123 ? -27.822 -15.172 1.264 1.00 22.00 ? 429 LEU A CG 1 ATOM 1904 C CD1 . LEU A 1 123 ? -27.955 -15.896 2.577 1.00 24.92 ? 429 LEU A CD1 1 ATOM 1905 C CD2 . LEU A 1 123 ? -28.747 -15.796 0.256 1.00 29.42 ? 429 LEU A CD2 1 ATOM 1906 H H . LEU A 1 123 ? -26.187 -12.029 0.662 1.00 29.60 ? 429 LEU A H 1 ATOM 1907 H HA . LEU A 1 123 ? -28.230 -13.262 -0.606 1.00 23.52 ? 429 LEU A HA 1 ATOM 1908 H HB2 . LEU A 1 123 ? -27.652 -13.348 2.151 1.00 26.33 ? 429 LEU A HB2 1 ATOM 1909 H HB3 . LEU A 1 123 ? -29.114 -13.639 1.618 1.00 26.33 ? 429 LEU A HB3 1 ATOM 1910 H HG . LEU A 1 123 ? -26.910 -15.265 0.948 1.00 26.40 ? 429 LEU A HG 1 ATOM 1911 H HD11 . LEU A 1 123 ? -27.727 -16.830 2.446 1.00 29.90 ? 429 LEU A HD11 1 ATOM 1912 H HD12 . LEU A 1 123 ? -27.351 -15.495 3.221 1.00 29.90 ? 429 LEU A HD12 1 ATOM 1913 H HD13 . LEU A 1 123 ? -28.871 -15.819 2.888 1.00 29.90 ? 429 LEU A HD13 1 ATOM 1914 H HD21 . LEU A 1 123 ? -28.527 -16.736 0.166 1.00 35.31 ? 429 LEU A HD21 1 ATOM 1915 H HD22 . LEU A 1 123 ? -29.661 -15.698 0.564 1.00 35.31 ? 429 LEU A HD22 1 ATOM 1916 H HD23 . LEU A 1 123 ? -28.634 -15.346 -0.596 1.00 35.31 ? 429 LEU A HD23 1 ATOM 1917 N N . PRO A 1 124 ? -29.932 -11.464 -0.066 1.00 26.22 ? 430 PRO A N 1 ATOM 1918 C CA . PRO A 1 124 ? -30.725 -10.236 0.081 1.00 29.97 ? 430 PRO A CA 1 ATOM 1919 C C . PRO A 1 124 ? -30.872 -9.866 1.550 1.00 33.74 ? 430 PRO A C 1 ATOM 1920 O O . PRO A 1 124 ? -31.284 -10.685 2.369 1.00 27.98 ? 430 PRO A O 1 ATOM 1921 C CB . PRO A 1 124 ? -32.081 -10.608 -0.531 1.00 31.12 ? 430 PRO A CB 1 ATOM 1922 C CG . PRO A 1 124 ? -31.872 -11.880 -1.246 1.00 38.03 ? 430 PRO A CG 1 ATOM 1923 C CD . PRO A 1 124 ? -30.752 -12.581 -0.570 1.00 32.05 ? 430 PRO A CD 1 ATOM 1924 H HA . PRO A 1 124 ? -30.327 -9.502 -0.411 1.00 35.97 ? 430 PRO A HA 1 ATOM 1925 H HB2 . PRO A 1 124 ? -32.736 -10.718 0.175 1.00 37.34 ? 430 PRO A HB2 1 ATOM 1926 H HB3 . PRO A 1 124 ? -32.359 -9.913 -1.148 1.00 37.34 ? 430 PRO A HB3 1 ATOM 1927 H HG2 . PRO A 1 124 ? -32.681 -12.412 -1.198 1.00 45.64 ? 430 PRO A HG2 1 ATOM 1928 H HG3 . PRO A 1 124 ? -31.644 -11.695 -2.171 1.00 45.64 ? 430 PRO A HG3 1 ATOM 1929 H HD2 . PRO A 1 124 ? -31.083 -13.120 0.166 1.00 38.45 ? 430 PRO A HD2 1 ATOM 1930 H HD3 . PRO A 1 124 ? -30.249 -13.113 -1.207 1.00 38.45 ? 430 PRO A HD3 1 ATOM 1931 N N . ALA A 1 125 ? -30.552 -8.613 1.880 1.00 29.44 ? 431 ALA A N 1 ATOM 1932 C CA . ALA A 1 125 ? -30.503 -8.232 3.293 1.00 26.60 ? 431 ALA A CA 1 ATOM 1933 C C . ALA A 1 125 ? -31.860 -8.402 3.966 1.00 30.41 ? 431 ALA A C 1 ATOM 1934 O O . ALA A 1 125 ? -31.931 -8.785 5.137 1.00 24.02 ? 431 ALA A O 1 ATOM 1935 C CB . ALA A 1 125 ? -30.004 -6.790 3.437 1.00 26.00 ? 431 ALA A CB 1 ATOM 1936 H H . ALA A 1 125 ? -30.364 -7.984 1.325 1.00 35.33 ? 431 ALA A H 1 ATOM 1937 H HA . ALA A 1 125 ? -29.872 -8.811 3.750 1.00 31.92 ? 431 ALA A HA 1 ATOM 1938 H HB1 . ALA A 1 125 ? -29.979 -6.558 4.379 1.00 31.20 ? 431 ALA A HB1 1 ATOM 1939 H HB2 . ALA A 1 125 ? -29.114 -6.725 3.056 1.00 31.20 ? 431 ALA A HB2 1 ATOM 1940 H HB3 . ALA A 1 125 ? -30.610 -6.198 2.966 1.00 31.20 ? 431 ALA A HB3 1 ATOM 1941 N N . ILE A 1 126 ? -32.953 -8.130 3.245 1.00 32.22 ? 432 ILE A N 1 ATOM 1942 C CA A ILE A 1 126 ? -34.273 -8.142 3.866 0.33 35.91 ? 432 ILE A CA 1 ATOM 1943 C CA B ILE A 1 126 ? -34.273 -8.141 3.865 0.67 35.92 ? 432 ILE A CA 1 ATOM 1944 C C . ILE A 1 126 ? -34.645 -9.520 4.368 1.00 32.06 ? 432 ILE A C 1 ATOM 1945 O O . ILE A 1 126 ? -35.497 -9.636 5.244 1.00 35.13 ? 432 ILE A O 1 ATOM 1946 C CB A ILE A 1 126 ? -35.366 -7.641 2.898 0.33 40.76 ? 432 ILE A CB 1 ATOM 1947 C CB B ILE A 1 126 ? -35.360 -7.641 2.891 0.67 40.81 ? 432 ILE A CB 1 ATOM 1948 C CG1 A ILE A 1 126 ? -35.332 -8.429 1.588 0.33 42.61 ? 432 ILE A CG1 1 ATOM 1949 C CG1 B ILE A 1 126 ? -36.665 -7.366 3.649 0.67 43.57 ? 432 ILE A CG1 1 ATOM 1950 C CG2 A ILE A 1 126 ? -35.226 -6.147 2.662 0.33 40.01 ? 432 ILE A CG2 1 ATOM 1951 C CG2 B ILE A 1 126 ? -35.612 -8.667 1.805 0.67 41.50 ? 432 ILE A CG2 1 ATOM 1952 C CD1 A ILE A 1 126 ? -36.547 -8.208 0.711 0.33 47.97 ? 432 ILE A CD1 1 ATOM 1953 C CD1 B ILE A 1 126 ? -37.738 -6.680 2.815 0.67 46.03 ? 432 ILE A CD1 1 ATOM 1954 H H . ILE A 1 126 ? -32.957 -7.939 2.406 1.00 38.66 ? 432 ILE A H 1 ATOM 1955 H HA . ILE A 1 126 ? -34.261 -7.543 4.628 1.00 43.10 ? 432 ILE A HA 1 ATOM 1956 H HB A ILE A 1 126 ? -36.227 -7.797 3.316 0.33 48.91 ? 432 ILE A HB 1 ATOM 1957 H HB B ILE A 1 126 ? -35.057 -6.817 2.479 0.67 48.97 ? 432 ILE A HB 1 ATOM 1958 H HG12 A ILE A 1 126 ? -34.549 -8.162 1.082 0.33 51.14 ? 432 ILE A HG12 1 ATOM 1959 H HG12 B ILE A 1 126 ? -37.028 -8.209 3.961 0.67 52.29 ? 432 ILE A HG12 1 ATOM 1960 H HG13 A ILE A 1 126 ? -35.283 -9.376 1.794 0.33 51.14 ? 432 ILE A HG13 1 ATOM 1961 H HG13 B ILE A 1 126 ? -36.469 -6.793 4.407 0.67 52.29 ? 432 ILE A HG13 1 ATOM 1962 H HG21 A ILE A 1 126 ? -35.923 -5.857 2.052 0.33 48.02 ? 432 ILE A HG21 1 ATOM 1963 H HG21 B ILE A 1 126 ? -36.298 -8.330 1.207 0.67 49.80 ? 432 ILE A HG21 1 ATOM 1964 H HG22 A ILE A 1 126 ? -35.315 -5.684 3.510 0.33 48.02 ? 432 ILE A HG22 1 ATOM 1965 H HG22 B ILE A 1 126 ? -34.788 -8.815 1.314 0.67 49.80 ? 432 ILE A HG22 1 ATOM 1966 H HG23 A ILE A 1 126 ? -34.354 -5.969 2.277 0.33 48.02 ? 432 ILE A HG23 1 ATOM 1967 H HG23 B ILE A 1 126 ? -35.907 -9.495 2.215 0.67 49.80 ? 432 ILE A HG23 1 ATOM 1968 H HD11 A ILE A 1 126 ? -36.454 -8.738 -0.096 0.33 57.56 ? 432 ILE A HD11 1 ATOM 1969 H HD11 B ILE A 1 126 ? -38.525 -6.543 3.365 0.67 55.23 ? 432 ILE A HD11 1 ATOM 1970 H HD12 A ILE A 1 126 ? -37.341 -8.482 1.197 0.33 57.56 ? 432 ILE A HD12 1 ATOM 1971 H HD12 B ILE A 1 126 ? -37.398 -5.826 2.505 0.67 55.23 ? 432 ILE A HD12 1 ATOM 1972 H HD13 A ILE A 1 126 ? -36.605 -7.267 0.485 0.33 57.56 ? 432 ILE A HD13 1 ATOM 1973 H HD13 B ILE A 1 126 ? -37.957 -7.244 2.058 0.67 55.23 ? 432 ILE A HD13 1 ATOM 1974 N N . ASN A 1 127 ? -34.051 -10.573 3.811 1.00 27.79 ? 433 ASN A N 1 ATOM 1975 C CA . ASN A 1 127 ? -34.345 -11.931 4.254 1.00 30.60 ? 433 ASN A CA 1 ATOM 1976 C C . ASN A 1 127 ? -33.336 -12.466 5.268 1.00 37.70 ? 433 ASN A C 1 ATOM 1977 O O . ASN A 1 127 ? -33.595 -13.509 5.876 1.00 31.16 ? 433 ASN A O 1 ATOM 1978 C CB . ASN A 1 127 ? -34.421 -12.876 3.050 1.00 38.89 ? 433 ASN A CB 1 ATOM 1979 C CG . ASN A 1 127 ? -35.434 -12.398 2.024 1.00 44.91 ? 433 ASN A CG 1 ATOM 1980 O OD1 . ASN A 1 127 ? -35.068 -11.934 0.948 1.00 46.17 ? 433 ASN A OD1 1 ATOM 1981 N ND2 . ASN A 1 127 ? -36.718 -12.481 2.374 1.00 53.60 ? 433 ASN A ND2 1 ATOM 1982 H H . ASN A 1 127 ? -33.475 -10.527 3.174 1.00 33.34 ? 433 ASN A H 1 ATOM 1983 H HA . ASN A 1 127 ? -35.216 -11.932 4.682 1.00 36.72 ? 433 ASN A HA 1 ATOM 1984 H HB2 . ASN A 1 127 ? -33.552 -12.917 2.622 1.00 46.67 ? 433 ASN A HB2 1 ATOM 1985 H HB3 . ASN A 1 127 ? -34.688 -13.758 3.353 1.00 46.67 ? 433 ASN A HB3 1 ATOM 1986 N N . VAL A 1 128 ? -32.220 -11.771 5.494 1.00 26.38 ? 434 VAL A N 1 ATOM 1987 C CA . VAL A 1 128 ? -31.137 -12.298 6.309 1.00 23.39 ? 434 VAL A CA 1 ATOM 1988 C C . VAL A 1 128 ? -31.342 -11.884 7.757 1.00 27.56 ? 434 VAL A C 1 ATOM 1989 O O . VAL A 1 128 ? -31.734 -10.755 8.048 1.00 26.71 ? 434 VAL A O 1 ATOM 1990 C CB . VAL A 1 128 ? -29.771 -11.831 5.779 1.00 26.05 ? 434 VAL A CB 1 ATOM 1991 C CG1 . VAL A 1 128 ? -28.646 -12.161 6.769 1.00 26.96 ? 434 VAL A CG1 1 ATOM 1992 C CG2 . VAL A 1 128 ? -29.494 -12.487 4.469 1.00 25.03 ? 434 VAL A CG2 1 ATOM 1993 H H . VAL A 1 128 ? -32.070 -10.984 5.181 1.00 31.65 ? 434 VAL A H 1 ATOM 1994 H HA . VAL A 1 128 ? -31.156 -13.267 6.270 1.00 28.06 ? 434 VAL A HA 1 ATOM 1995 H HB . VAL A 1 128 ? -29.788 -10.870 5.644 1.00 31.26 ? 434 VAL A HB 1 ATOM 1996 H HG11 . VAL A 1 128 ? -27.803 -11.852 6.402 1.00 32.35 ? 434 VAL A HG11 1 ATOM 1997 H HG12 . VAL A 1 128 ? -28.824 -11.713 7.610 1.00 32.35 ? 434 VAL A HG12 1 ATOM 1998 H HG13 . VAL A 1 128 ? -28.617 -13.121 6.904 1.00 32.35 ? 434 VAL A HG13 1 ATOM 1999 H HG21 . VAL A 1 128 ? -28.631 -12.187 4.143 1.00 30.04 ? 434 VAL A HG21 1 ATOM 2000 H HG22 . VAL A 1 128 ? -29.484 -13.449 4.595 1.00 30.04 ? 434 VAL A HG22 1 ATOM 2001 H HG23 . VAL A 1 128 ? -30.190 -12.242 3.840 1.00 30.04 ? 434 VAL A HG23 1 ATOM 2002 N N . THR A 1 129 ? -31.107 -12.828 8.660 1.00 28.21 ? 435 THR A N 1 ATOM 2003 C CA . THR A 1 129 ? -30.980 -12.585 10.092 1.00 23.75 ? 435 THR A CA 1 ATOM 2004 C C . THR A 1 129 ? -29.623 -13.109 10.521 1.00 23.07 ? 435 THR A C 1 ATOM 2005 O O . THR A 1 129 ? -29.342 -14.299 10.343 1.00 23.99 ? 435 THR A O 1 ATOM 2006 C CB . THR A 1 129 ? -32.069 -13.310 10.884 1.00 33.78 ? 435 THR A CB 1 ATOM 2007 O OG1 . THR A 1 129 ? -33.358 -12.865 10.447 1.00 41.78 ? 435 THR A OG1 1 ATOM 2008 C CG2 . THR A 1 129 ? -31.906 -13.048 12.385 1.00 40.13 ? 435 THR A CG2 1 ATOM 2009 H H . THR A 1 129 ? -31.014 -13.658 8.455 1.00 33.86 ? 435 THR A H 1 ATOM 2010 H HA . THR A 1 129 ? -31.028 -11.634 10.277 1.00 28.50 ? 435 THR A HA 1 ATOM 2011 H HB . THR A 1 129 ? -31.993 -14.265 10.732 1.00 40.53 ? 435 THR A HB 1 ATOM 2012 H HG1 . THR A 1 129 ? -33.960 -13.260 10.879 1.00 50.14 ? 435 THR A HG1 1 ATOM 2013 H HG21 . THR A 1 129 ? -32.601 -13.511 12.880 1.00 48.15 ? 435 THR A HG21 1 ATOM 2014 H HG22 . THR A 1 129 ? -31.040 -13.367 12.685 1.00 48.15 ? 435 THR A HG22 1 ATOM 2015 H HG23 . THR A 1 129 ? -31.972 -12.097 12.565 1.00 48.15 ? 435 THR A HG23 1 ATOM 2016 N N . ILE A 1 130 ? -28.801 -12.248 11.096 1.00 24.33 ? 436 ILE A N 1 ATOM 2017 C CA . ILE A 1 130 ? -27.489 -12.671 11.563 1.00 20.58 ? 436 ILE A CA 1 ATOM 2018 C C . ILE A 1 130 ? -27.627 -13.373 12.902 1.00 26.32 ? 436 ILE A C 1 ATOM 2019 O O . ILE A 1 130 ? -28.329 -12.895 13.804 1.00 25.21 ? 436 ILE A O 1 ATOM 2020 C CB . ILE A 1 130 ? -26.522 -11.485 11.676 1.00 26.18 ? 436 ILE A CB 1 ATOM 2021 C CG1 . ILE A 1 130 ? -26.353 -10.792 10.328 1.00 28.57 ? 436 ILE A CG1 1 ATOM 2022 C CG2 . ILE A 1 130 ? -25.177 -11.977 12.209 1.00 20.82 ? 436 ILE A CG2 1 ATOM 2023 C CD1 . ILE A 1 130 ? -25.735 -11.648 9.291 1.00 23.20 ? 436 ILE A CD1 1 ATOM 2024 H H . ILE A 1 130 ? -28.976 -11.417 11.229 1.00 29.19 ? 436 ILE A H 1 ATOM 2025 H HA . ILE A 1 130 ? -27.115 -13.304 10.929 1.00 24.70 ? 436 ILE A HA 1 ATOM 2026 H HB . ILE A 1 130 ? -26.890 -10.846 12.307 1.00 31.42 ? 436 ILE A HB 1 ATOM 2027 H HG12 . ILE A 1 130 ? -27.226 -10.519 10.005 1.00 34.29 ? 436 ILE A HG12 1 ATOM 2028 H HG13 . ILE A 1 130 ? -25.788 -10.013 10.446 1.00 34.29 ? 436 ILE A HG13 1 ATOM 2029 H HG21 . ILE A 1 130 ? -24.571 -11.223 12.279 1.00 24.98 ? 436 ILE A HG21 1 ATOM 2030 H HG22 . ILE A 1 130 ? -25.311 -12.376 13.083 1.00 24.98 ? 436 ILE A HG22 1 ATOM 2031 H HG23 . ILE A 1 130 ? -24.817 -12.636 11.596 1.00 24.98 ? 436 ILE A HG23 1 ATOM 2032 H HD11 . ILE A 1 130 ? -25.661 -11.141 8.467 1.00 27.84 ? 436 ILE A HD11 1 ATOM 2033 H HD12 . ILE A 1 130 ? -24.854 -11.921 9.592 1.00 27.84 ? 436 ILE A HD12 1 ATOM 2034 H HD13 . ILE A 1 130 ? -26.295 -12.428 9.151 1.00 27.84 ? 436 ILE A HD13 1 ATOM 2035 N N . ASN A 1 131 ? -26.930 -14.502 13.034 1.00 24.31 ? 437 ASN A N 1 ATOM 2036 C CA . ASN A 1 131 ? -26.841 -15.249 14.287 1.00 21.61 ? 437 ASN A CA 1 ATOM 2037 C C . ASN A 1 131 ? -25.483 -14.965 14.913 1.00 20.63 ? 437 ASN A C 1 ATOM 2038 O O . ASN A 1 131 ? -24.459 -15.504 14.480 1.00 20.19 ? 437 ASN A O 1 ATOM 2039 C CB . ASN A 1 131 ? -27.050 -16.743 14.040 1.00 25.75 ? 437 ASN A CB 1 ATOM 2040 C CG . ASN A 1 131 ? -27.085 -17.570 15.349 1.00 27.49 ? 437 ASN A CG 1 ATOM 2041 O OD1 . ASN A 1 131 ? -27.032 -17.021 16.436 1.00 25.60 ? 437 ASN A OD1 1 ATOM 2042 N ND2 . ASN A 1 131 ? -27.166 -18.883 15.225 1.00 35.16 ? 437 ASN A ND2 1 ATOM 2043 H H . ASN A 1 131 ? -26.488 -14.864 12.392 1.00 29.17 ? 437 ASN A H 1 ATOM 2044 H HA . ASN A 1 131 ? -27.530 -14.940 14.896 1.00 25.93 ? 437 ASN A HA 1 ATOM 2045 H HB2 . ASN A 1 131 ? -27.895 -16.871 13.581 1.00 30.90 ? 437 ASN A HB2 1 ATOM 2046 H HB3 . ASN A 1 131 ? -26.322 -17.077 13.493 1.00 30.90 ? 437 ASN A HB3 1 ATOM 2047 H HD21 . ASN A 1 131 ? -27.188 -19.380 15.926 1.00 42.19 ? 437 ASN A HD21 1 ATOM 2048 H HD22 . ASN A 1 131 ? -27.196 -19.240 14.443 1.00 42.19 ? 437 ASN A HD22 1 ATOM 2049 N N . ASN A 1 132 ? -25.478 -14.086 15.916 1.00 17.49 ? 438 ASN A N 1 ATOM 2050 C CA . ASN A 1 132 ? -24.297 -13.830 16.732 1.00 20.32 ? 438 ASN A CA 1 ATOM 2051 C C . ASN A 1 132 ? -24.371 -14.704 17.989 1.00 21.53 ? 438 ASN A C 1 ATOM 2052 O O . ASN A 1 132 ? -25.301 -14.565 18.779 1.00 20.95 ? 438 ASN A O 1 ATOM 2053 C CB . ASN A 1 132 ? -24.225 -12.353 17.113 1.00 21.74 ? 438 ASN A CB 1 ATOM 2054 C CG . ASN A 1 132 ? -24.085 -11.457 15.920 1.00 20.13 ? 438 ASN A CG 1 ATOM 2055 O OD1 . ASN A 1 132 ? -23.098 -11.533 15.174 1.00 22.93 ? 438 ASN A OD1 1 ATOM 2056 N ND2 . ASN A 1 132 ? -25.057 -10.577 15.734 1.00 21.01 ? 438 ASN A ND2 1 ATOM 2057 H H . ASN A 1 132 ? -26.162 -13.618 16.145 1.00 20.99 ? 438 ASN A H 1 ATOM 2058 H HA . ASN A 1 132 ? -23.497 -14.064 16.236 1.00 24.39 ? 438 ASN A HA 1 ATOM 2059 H HB2 . ASN A 1 132 ? -25.038 -12.106 17.580 1.00 26.09 ? 438 ASN A HB2 1 ATOM 2060 H HB3 . ASN A 1 132 ? -23.456 -12.211 17.687 1.00 26.09 ? 438 ASN A HB3 1 ATOM 2061 H HD21 . ASN A 1 132 ? -25.027 -10.038 15.064 1.00 25.21 ? 438 ASN A HD21 1 ATOM 2062 H HD22 . ASN A 1 132 ? -25.718 -10.545 16.282 1.00 25.21 ? 438 ASN A HD22 1 ATOM 2063 N N . TYR A 1 133 ? -23.403 -15.602 18.171 1.00 25.11 ? 439 TYR A N 1 ATOM 2064 C CA . TYR A 1 133 ? -23.451 -16.587 19.250 1.00 20.26 ? 439 TYR A CA 1 ATOM 2065 C C . TYR A 1 133 ? -22.062 -16.724 19.828 1.00 21.08 ? 439 TYR A C 1 ATOM 2066 O O . TYR A 1 133 ? -21.098 -16.943 19.091 1.00 20.58 ? 439 TYR A O 1 ATOM 2067 C CB . TYR A 1 133 ? -23.960 -17.944 18.747 1.00 23.35 ? 439 TYR A CB 1 ATOM 2068 C CG . TYR A 1 133 ? -23.907 -19.060 19.768 1.00 24.94 ? 439 TYR A CG 1 ATOM 2069 C CD1 . TYR A 1 133 ? -24.945 -19.255 20.655 1.00 27.82 ? 439 TYR A CD1 1 ATOM 2070 C CD2 . TYR A 1 133 ? -22.818 -19.936 19.812 1.00 19.66 ? 439 TYR A CD2 1 ATOM 2071 C CE1 . TYR A 1 133 ? -24.902 -20.291 21.599 1.00 31.50 ? 439 TYR A CE1 1 ATOM 2072 C CE2 . TYR A 1 133 ? -22.752 -20.954 20.737 1.00 23.37 ? 439 TYR A CE2 1 ATOM 2073 C CZ . TYR A 1 133 ? -23.807 -21.127 21.630 1.00 33.03 ? 439 TYR A CZ 1 ATOM 2074 O OH . TYR A 1 133 ? -23.748 -22.134 22.552 1.00 30.74 ? 439 TYR A OH 1 ATOM 2075 H H . TYR A 1 133 ? -22.701 -15.661 17.678 1.00 30.13 ? 439 TYR A H 1 ATOM 2076 H HA . TYR A 1 133 ? -24.046 -16.274 19.949 1.00 24.31 ? 439 TYR A HA 1 ATOM 2077 H HB2 . TYR A 1 133 ? -24.884 -17.844 18.470 1.00 28.02 ? 439 TYR A HB2 1 ATOM 2078 H HB3 . TYR A 1 133 ? -23.420 -18.214 17.988 1.00 28.02 ? 439 TYR A HB3 1 ATOM 2079 H HD1 . TYR A 1 133 ? -25.679 -18.684 20.634 1.00 33.39 ? 439 TYR A HD1 1 ATOM 2080 H HD2 . TYR A 1 133 ? -22.112 -19.814 19.219 1.00 23.59 ? 439 TYR A HD2 1 ATOM 2081 H HE1 . TYR A 1 133 ? -25.601 -20.408 22.201 1.00 37.79 ? 439 TYR A HE1 1 ATOM 2082 H HE2 . TYR A 1 133 ? -22.017 -21.523 20.761 1.00 28.04 ? 439 TYR A HE2 1 ATOM 2083 H HH . TYR A 1 133 ? -23.033 -22.565 22.462 1.00 36.89 ? 439 TYR A HH 1 ATOM 2084 N N . ASN A 1 134 ? -21.959 -16.550 21.155 1.00 20.14 ? 440 ASN A N 1 ATOM 2085 C CA . ASN A 1 134 ? -20.672 -16.637 21.826 1.00 22.10 ? 440 ASN A CA 1 ATOM 2086 C C . ASN A 1 134 ? -20.331 -18.102 22.079 1.00 24.97 ? 440 ASN A C 1 ATOM 2087 O O . ASN A 1 134 ? -21.032 -18.771 22.837 1.00 22.23 ? 440 ASN A O 1 ATOM 2088 C CB . ASN A 1 134 ? -20.691 -15.843 23.145 1.00 19.01 ? 440 ASN A CB 1 ATOM 2089 C CG . ASN A 1 134 ? -19.364 -15.844 23.818 1.00 21.95 ? 440 ASN A CG 1 ATOM 2090 O OD1 . ASN A 1 134 ? -18.518 -16.681 23.517 1.00 22.35 ? 440 ASN A OD1 1 ATOM 2091 N ND2 . ASN A 1 134 ? -19.169 -14.934 24.761 1.00 20.25 ? 440 ASN A ND2 1 ATOM 2092 H H . ASN A 1 134 ? -22.620 -16.383 21.678 1.00 24.17 ? 440 ASN A H 1 ATOM 2093 H HA . ASN A 1 134 ? -19.986 -16.259 21.254 1.00 26.52 ? 440 ASN A HA 1 ATOM 2094 H HB2 . ASN A 1 134 ? -20.934 -14.923 22.959 1.00 22.81 ? 440 ASN A HB2 1 ATOM 2095 H HB3 . ASN A 1 134 ? -21.336 -16.244 23.748 1.00 22.81 ? 440 ASN A HB3 1 ATOM 2096 H HD21 . ASN A 1 134 ? -18.417 -14.899 25.176 1.00 24.29 ? 440 ASN A HD21 1 ATOM 2097 H HD22 . ASN A 1 134 ? -19.795 -14.379 24.958 1.00 24.29 ? 440 ASN A HD22 1 ATOM 2098 N N . PRO A 1 135 ? -19.281 -18.640 21.452 1.00 24.27 ? 441 PRO A N 1 ATOM 2099 C CA . PRO A 1 135 ? -18.980 -20.069 21.576 1.00 29.53 ? 441 PRO A CA 1 ATOM 2100 C C . PRO A 1 135 ? -18.264 -20.455 22.851 1.00 25.59 ? 441 PRO A C 1 ATOM 2101 O O . PRO A 1 135 ? -17.964 -21.636 23.023 1.00 28.40 ? 441 PRO A O 1 ATOM 2102 C CB . PRO A 1 135 ? -18.063 -20.321 20.381 1.00 23.94 ? 441 PRO A CB 1 ATOM 2103 C CG . PRO A 1 135 ? -17.332 -19.003 20.213 1.00 25.14 ? 441 PRO A CG 1 ATOM 2104 C CD . PRO A 1 135 ? -18.301 -17.941 20.602 1.00 21.15 ? 441 PRO A CD 1 ATOM 2105 H HA . PRO A 1 135 ? -19.788 -20.598 21.483 1.00 35.43 ? 441 PRO A HA 1 ATOM 2106 H HB2 . PRO A 1 135 ? -17.444 -21.039 20.584 1.00 28.73 ? 441 PRO A HB2 1 ATOM 2107 H HB3 . PRO A 1 135 ? -18.593 -20.528 19.595 1.00 28.73 ? 441 PRO A HB3 1 ATOM 2108 H HG2 . PRO A 1 135 ? -16.556 -18.986 20.795 1.00 30.17 ? 441 PRO A HG2 1 ATOM 2109 H HG3 . PRO A 1 135 ? -17.065 -18.896 19.286 1.00 30.17 ? 441 PRO A HG3 1 ATOM 2110 H HD2 . PRO A 1 135 ? -17.852 -17.246 21.109 1.00 25.38 ? 441 PRO A HD2 1 ATOM 2111 H HD3 . PRO A 1 135 ? -18.737 -17.579 19.815 1.00 25.38 ? 441 PRO A HD3 1 ATOM 2112 N N . SER A 1 136 ? -17.952 -19.514 23.732 1.00 23.73 ? 442 SER A N 1 ATOM 2113 C CA . SER A 1 136 ? -17.077 -19.785 24.871 1.00 20.64 ? 442 SER A CA 1 ATOM 2114 C C . SER A 1 136 ? -17.891 -20.314 26.050 1.00 22.67 ? 442 SER A C 1 ATOM 2115 O O . SER A 1 136 ? -18.740 -19.600 26.598 1.00 21.35 ? 442 SER A O 1 ATOM 2116 C CB . SER A 1 136 ? -16.330 -18.508 25.247 1.00 24.88 ? 442 SER A CB 1 ATOM 2117 O OG . SER A 1 136 ? -15.737 -18.621 26.516 1.00 21.94 ? 442 SER A OG 1 ATOM 2118 H H . SER A 1 136 ? -18.235 -18.702 23.694 1.00 28.47 ? 442 SER A H 1 ATOM 2119 H HA . SER A 1 136 ? -16.425 -20.459 24.622 1.00 24.76 ? 442 SER A HA 1 ATOM 2120 H HB2 . SER A 1 136 ? -15.636 -18.344 24.590 1.00 29.86 ? 442 SER A HB2 1 ATOM 2121 H HB3 . SER A 1 136 ? -16.957 -17.769 25.258 1.00 29.86 ? 442 SER A HB3 1 ATOM 2122 H HG . SER A 1 136 ? -15.190 -19.258 26.522 1.00 26.33 ? 442 SER A HG 1 ATOM 2123 N N . SER A 1 137 ? -17.626 -21.561 26.450 1.00 24.67 ? 443 SER A N 1 ATOM 2124 C CA . SER A 1 137 ? -18.360 -22.122 27.587 1.00 21.17 ? 443 SER A CA 1 ATOM 2125 C C . SER A 1 137 ? -18.029 -21.396 28.886 1.00 16.01 ? 443 SER A C 1 ATOM 2126 O O . SER A 1 137 ? -18.923 -21.175 29.711 1.00 26.80 ? 443 SER A O 1 ATOM 2127 C CB . SER A 1 137 ? -18.069 -23.619 27.744 1.00 33.44 ? 443 SER A CB 1 ATOM 2128 O OG . SER A 1 137 ? -16.723 -23.818 28.078 1.00 36.80 ? 443 SER A OG 1 ATOM 2129 H H . SER A 1 137 ? -17.046 -22.087 26.093 1.00 29.61 ? 443 SER A H 1 ATOM 2130 H HA . SER A 1 137 ? -19.311 -22.021 27.425 1.00 25.40 ? 443 SER A HA 1 ATOM 2131 H HB2 . SER A 1 137 ? -18.628 -23.979 28.449 1.00 40.13 ? 443 SER A HB2 1 ATOM 2132 H HB3 . SER A 1 137 ? -18.258 -24.069 26.905 1.00 40.13 ? 443 SER A HB3 1 ATOM 2133 H HG . SER A 1 137 ? -16.228 -23.507 27.475 1.00 44.16 ? 443 SER A HG 1 ATOM 2134 N N . TRP A 1 138 ? -16.757 -21.038 29.110 1.00 22.78 ? 444 TRP A N 1 ATOM 2135 C CA . TRP A 1 138 ? -16.432 -20.327 30.347 1.00 20.66 ? 444 TRP A CA 1 ATOM 2136 C C . TRP A 1 138 ? -17.060 -18.938 30.373 1.00 21.40 ? 444 TRP A C 1 ATOM 2137 O O . TRP A 1 138 ? -17.613 -18.545 31.401 1.00 22.85 ? 444 TRP A O 1 ATOM 2138 C CB . TRP A 1 138 ? -14.912 -20.295 30.605 1.00 20.28 ? 444 TRP A CB 1 ATOM 2139 C CG . TRP A 1 138 ? -14.055 -19.284 29.867 1.00 23.79 ? 444 TRP A CG 1 ATOM 2140 C CD1 . TRP A 1 138 ? -13.283 -19.516 28.766 1.00 21.22 ? 444 TRP A CD1 1 ATOM 2141 C CD2 . TRP A 1 138 ? -13.839 -17.904 30.222 1.00 17.38 ? 444 TRP A CD2 1 ATOM 2142 N NE1 . TRP A 1 138 ? -12.614 -18.365 28.400 1.00 19.20 ? 444 TRP A NE1 1 ATOM 2143 C CE2 . TRP A 1 138 ? -12.935 -17.366 29.273 1.00 19.04 ? 444 TRP A CE2 1 ATOM 2144 C CE3 . TRP A 1 138 ? -14.323 -17.076 31.246 1.00 15.97 ? 444 TRP A CE3 1 ATOM 2145 C CZ2 . TRP A 1 138 ? -12.523 -16.050 29.306 1.00 22.04 ? 444 TRP A CZ2 1 ATOM 2146 C CZ3 . TRP A 1 138 ? -13.913 -15.775 31.287 1.00 21.90 ? 444 TRP A CZ3 1 ATOM 2147 C CH2 . TRP A 1 138 ? -13.017 -15.264 30.316 1.00 20.58 ? 444 TRP A CH2 1 ATOM 2148 H H . TRP A 1 138 ? -16.093 -21.189 28.585 1.00 27.34 ? 444 TRP A H 1 ATOM 2149 H HA . TRP A 1 138 ? -16.826 -20.822 31.082 1.00 24.80 ? 444 TRP A HA 1 ATOM 2150 H HB2 . TRP A 1 138 ? -14.778 -20.134 31.552 1.00 24.34 ? 444 TRP A HB2 1 ATOM 2151 H HB3 . TRP A 1 138 ? -14.559 -21.171 30.384 1.00 24.34 ? 444 TRP A HB3 1 ATOM 2152 H HD1 . TRP A 1 138 ? -13.220 -20.332 28.323 1.00 25.47 ? 444 TRP A HD1 1 ATOM 2153 H HE1 . TRP A 1 138 ? -12.085 -18.288 27.726 1.00 23.03 ? 444 TRP A HE1 1 ATOM 2154 H HE3 . TRP A 1 138 ? -14.915 -17.407 31.883 1.00 19.16 ? 444 TRP A HE3 1 ATOM 2155 H HZ2 . TRP A 1 138 ? -11.931 -15.711 28.674 1.00 26.44 ? 444 TRP A HZ2 1 ATOM 2156 H HZ3 . TRP A 1 138 ? -14.232 -15.214 31.957 1.00 26.28 ? 444 TRP A HZ3 1 ATOM 2157 H HH2 . TRP A 1 138 ? -12.754 -14.373 30.367 1.00 24.69 ? 444 TRP A HH2 1 ATOM 2158 N N . ASN A 1 139 ? -17.051 -18.189 29.250 1.00 22.09 ? 445 ASN A N 1 ATOM 2159 C CA . ASN A 1 139 ? -17.807 -16.927 29.217 1.00 20.15 ? 445 ASN A CA 1 ATOM 2160 C C . ASN A 1 139 ? -19.250 -17.165 29.652 1.00 21.32 ? 445 ASN A C 1 ATOM 2161 O O . ASN A 1 139 ? -19.815 -16.427 30.460 1.00 19.73 ? 445 ASN A O 1 ATOM 2162 C CB . ASN A 1 139 ? -17.841 -16.326 27.796 1.00 17.08 ? 445 ASN A CB 1 ATOM 2163 C CG . ASN A 1 139 ? -16.629 -15.480 27.426 1.00 21.13 ? 445 ASN A CG 1 ATOM 2164 O OD1 . ASN A 1 139 ? -16.607 -14.917 26.325 1.00 22.98 ? 445 ASN A OD1 1 ATOM 2165 N ND2 . ASN A 1 139 ? -15.622 -15.397 28.290 1.00 19.06 ? 445 ASN A ND2 1 ATOM 2166 H H . ASN A 1 139 ? -16.632 -18.382 28.525 1.00 26.50 ? 445 ASN A H 1 ATOM 2167 H HA . ASN A 1 139 ? -17.401 -16.284 29.819 1.00 24.18 ? 445 ASN A HA 1 ATOM 2168 H HB2 . ASN A 1 139 ? -17.898 -17.052 27.155 1.00 20.50 ? 445 ASN A HB2 1 ATOM 2169 H HB3 . ASN A 1 139 ? -18.626 -15.761 27.718 1.00 20.50 ? 445 ASN A HB3 1 ATOM 2170 H HD21 . ASN A 1 139 ? -14.929 -14.925 28.099 1.00 22.87 ? 445 ASN A HD21 1 ATOM 2171 H HD22 . ASN A 1 139 ? -15.663 -15.816 29.040 1.00 22.87 ? 445 ASN A HD22 1 ATOM 2172 N N . ARG A 1 140 ? -19.876 -18.184 29.073 1.00 22.63 ? 446 ARG A N 1 ATOM 2173 C CA . ARG A 1 140 ? -21.275 -18.472 29.354 1.00 25.73 ? 446 ARG A CA 1 ATOM 2174 C C . ARG A 1 140 ? -21.473 -18.880 30.814 1.00 25.17 ? 446 ARG A C 1 ATOM 2175 O O . ARG A 1 140 ? -22.456 -18.490 31.458 1.00 25.07 ? 446 ARG A O 1 ATOM 2176 C CB . ARG A 1 140 ? -21.749 -19.586 28.416 1.00 32.90 ? 446 ARG A CB 1 ATOM 2177 C CG . ARG A 1 140 ? -23.234 -19.585 28.129 1.00 50.63 ? 446 ARG A CG 1 ATOM 2178 C CD . ARG A 1 140 ? -23.579 -20.468 26.937 1.00 57.17 ? 446 ARG A CD 1 ATOM 2179 N NE . ARG A 1 140 ? -23.129 -19.888 25.666 1.00 36.61 ? 446 ARG A NE 1 ATOM 2180 C CZ . ARG A 1 140 ? -23.813 -18.978 24.975 1.00 38.25 ? 446 ARG A CZ 1 ATOM 2181 N NH1 . ARG A 1 140 ? -24.972 -18.511 25.425 1.00 40.43 ? 446 ARG A NH1 1 ATOM 2182 N NH2 . ARG A 1 140 ? -23.327 -18.508 23.843 1.00 38.47 ? 446 ARG A NH2 1 ATOM 2183 H H . ARG A 1 140 ? -19.512 -18.725 28.512 1.00 27.15 ? 446 ARG A H 1 ATOM 2184 H HA . ARG A 1 140 ? -21.808 -17.679 29.183 1.00 30.88 ? 446 ARG A HA 1 ATOM 2185 H HB2 . ARG A 1 140 ? -21.287 -19.494 27.569 1.00 39.48 ? 446 ARG A HB2 1 ATOM 2186 H HB3 . ARG A 1 140 ? -21.529 -20.442 28.817 1.00 39.48 ? 446 ARG A HB3 1 ATOM 2187 H HG2 . ARG A 1 140 ? -23.710 -19.922 28.904 1.00 60.76 ? 446 ARG A HG2 1 ATOM 2188 H HG3 . ARG A 1 140 ? -23.520 -18.680 27.928 1.00 60.76 ? 446 ARG A HG3 1 ATOM 2189 H HD2 . ARG A 1 140 ? -23.146 -21.330 27.045 1.00 68.60 ? 446 ARG A HD2 1 ATOM 2190 H HD3 . ARG A 1 140 ? -24.541 -20.581 26.893 1.00 68.60 ? 446 ARG A HD3 1 ATOM 2191 H HE . ARG A 1 140 ? -22.393 -20.180 25.329 1.00 43.93 ? 446 ARG A HE 1 ATOM 2192 H HH11 . ARG A 1 140 ? -25.297 -18.807 26.164 1.00 48.52 ? 446 ARG A HH11 1 ATOM 2193 H HH12 . ARG A 1 140 ? -25.402 -17.920 24.972 1.00 48.52 ? 446 ARG A HH12 1 ATOM 2194 H HH21 . ARG A 1 140 ? -22.576 -18.801 23.544 1.00 46.17 ? 446 ARG A HH21 1 ATOM 2195 H HH22 . ARG A 1 140 ? -23.767 -17.917 23.399 1.00 46.17 ? 446 ARG A HH22 1 ATOM 2196 N N . ARG A 1 141 ? -20.541 -19.662 31.338 1.00 22.50 ? 447 ARG A N 1 ATOM 2197 C CA A ARG A 1 141 ? -20.617 -20.118 32.721 0.44 25.47 ? 447 ARG A CA 1 ATOM 2198 C CA B ARG A 1 141 ? -20.622 -20.115 32.726 0.56 25.46 ? 447 ARG A CA 1 ATOM 2199 C C . ARG A 1 141 ? -20.726 -18.946 33.693 1.00 34.57 ? 447 ARG A C 1 ATOM 2200 O O . ARG A 1 141 ? -21.406 -19.048 34.728 1.00 26.25 ? 447 ARG A O 1 ATOM 2201 C CB A ARG A 1 141 ? -19.385 -20.985 32.994 0.44 25.33 ? 447 ARG A CB 1 ATOM 2202 C CB B ARG A 1 141 ? -19.401 -20.971 33.069 0.56 25.35 ? 447 ARG A CB 1 ATOM 2203 C CG A ARG A 1 141 ? -19.274 -21.584 34.372 0.44 32.62 ? 447 ARG A CG 1 ATOM 2204 C CG B ARG A 1 141 ? -19.384 -21.486 34.516 0.56 32.83 ? 447 ARG A CG 1 ATOM 2205 C CD A ARG A 1 141 ? -18.383 -22.839 34.386 0.44 29.32 ? 447 ARG A CD 1 ATOM 2206 C CD B ARG A 1 141 ? -18.060 -22.161 34.899 0.56 28.74 ? 447 ARG A CD 1 ATOM 2207 N NE A ARG A 1 141 ? -17.364 -22.916 33.331 0.44 29.77 ? 447 ARG A NE 1 ATOM 2208 N NE B ARG A 1 141 ? -18.232 -23.034 36.064 0.56 30.56 ? 447 ARG A NE 1 ATOM 2209 C CZ A ARG A 1 141 ? -17.478 -23.638 32.210 0.44 32.39 ? 447 ARG A CZ 1 ATOM 2210 C CZ B ARG A 1 141 ? -17.275 -23.787 36.591 0.56 28.80 ? 447 ARG A CZ 1 ATOM 2211 N NH1 A ARG A 1 141 ? -18.580 -24.347 31.974 0.44 36.55 ? 447 ARG A NH1 1 ATOM 2212 N NH1 B ARG A 1 141 ? -16.048 -23.769 36.092 0.56 30.64 ? 447 ARG A NH1 1 ATOM 2213 N NH2 A ARG A 1 141 ? -16.488 -23.662 31.318 0.44 20.27 ? 447 ARG A NH2 1 ATOM 2214 N NH2 B ARG A 1 141 ? -17.544 -24.560 37.630 0.56 26.28 ? 447 ARG A NH2 1 ATOM 2215 H H . ARG A 1 141 ? -19.849 -19.946 30.914 1.00 27.00 ? 447 ARG A H 1 ATOM 2216 H HA . ARG A 1 141 ? -21.410 -20.668 32.832 1.00 30.56 ? 447 ARG A HA 1 ATOM 2217 H HB2 A ARG A 1 141 ? -19.386 -21.721 32.361 0.44 30.39 ? 447 ARG A HB2 1 ATOM 2218 H HB2 B ARG A 1 141 ? -19.386 -21.743 32.481 0.56 30.42 ? 447 ARG A HB2 1 ATOM 2219 H HB3 A ARG A 1 141 ? -18.594 -20.442 32.852 0.44 30.39 ? 447 ARG A HB3 1 ATOM 2220 H HB3 B ARG A 1 141 ? -18.600 -20.441 32.934 0.56 30.42 ? 447 ARG A HB3 1 ATOM 2221 H HG2 A ARG A 1 141 ? -18.884 -20.929 34.973 0.44 39.15 ? 447 ARG A HG2 1 ATOM 2222 H HG2 B ARG A 1 141 ? -19.524 -20.738 35.117 0.56 39.40 ? 447 ARG A HG2 1 ATOM 2223 H HG3 A ARG A 1 141 ? -20.158 -21.837 34.682 0.44 39.15 ? 447 ARG A HG3 1 ATOM 2224 H HG3 B ARG A 1 141 ? -20.095 -22.136 34.627 0.56 39.40 ? 447 ARG A HG3 1 ATOM 2225 H HD2 A ARG A 1 141 ? -17.921 -22.876 35.238 0.44 35.18 ? 447 ARG A HD2 1 ATOM 2226 H HD2 B ARG A 1 141 ? -17.748 -22.701 34.157 0.56 34.48 ? 447 ARG A HD2 1 ATOM 2227 H HD3 A ARG A 1 141 ? -18.953 -23.619 34.295 0.44 35.18 ? 447 ARG A HD3 1 ATOM 2228 H HD3 B ARG A 1 141 ? -17.405 -21.481 35.121 0.56 34.48 ? 447 ARG A HD3 1 ATOM 2229 H HE A ARG A 1 141 ? -16.641 -22.464 33.441 0.44 35.72 ? 447 ARG A HE 1 ATOM 2230 H HE B ARG A 1 141 ? -19.009 -23.060 36.432 0.56 36.67 ? 447 ARG A HE 1 ATOM 2231 H HH11 A ARG A 1 141 ? -19.223 -24.344 32.545 0.44 43.86 ? 447 ARG A HH11 1 ATOM 2232 H HH11 B ARG A 1 141 ? -15.867 -23.273 35.413 0.56 36.77 ? 447 ARG A HH11 1 ATOM 2233 H HH12 A ARG A 1 141 ? -18.648 -24.807 31.251 0.44 43.86 ? 447 ARG A HH12 1 ATOM 2234 H HH12 B ARG A 1 141 ? -15.433 -24.257 36.444 0.56 36.77 ? 447 ARG A HH12 1 ATOM 2235 H HH21 A ARG A 1 141 ? -15.773 -23.206 31.457 0.44 24.32 ? 447 ARG A HH21 1 ATOM 2236 H HH21 B ARG A 1 141 ? -18.337 -24.571 37.963 0.56 31.53 ? 447 ARG A HH21 1 ATOM 2237 H HH22 A ARG A 1 141 ? -16.571 -24.122 30.596 0.44 24.32 ? 447 ARG A HH22 1 ATOM 2238 H HH22 B ARG A 1 141 ? -16.923 -25.040 37.982 0.56 31.53 ? 447 ARG A HH22 1 ATOM 2239 N N . TYR A 1 142 ? -20.080 -17.822 33.378 1.00 27.63 ? 448 TYR A N 1 ATOM 2240 C CA . TYR A 1 142 ? -20.023 -16.690 34.286 1.00 26.57 ? 448 TYR A CA 1 ATOM 2241 C C . TYR A 1 142 ? -20.847 -15.501 33.816 1.00 25.95 ? 448 TYR A C 1 ATOM 2242 O O . TYR A 1 142 ? -20.591 -14.371 34.238 1.00 23.85 ? 448 TYR A O 1 ATOM 2243 C CB . TYR A 1 142 ? -18.573 -16.281 34.532 1.00 21.21 ? 448 TYR A CB 1 ATOM 2244 C CG . TYR A 1 142 ? -17.910 -17.294 35.380 1.00 23.55 ? 448 TYR A CG 1 ATOM 2245 C CD1 . TYR A 1 142 ? -18.346 -17.517 36.687 1.00 21.32 ? 448 TYR A CD1 1 ATOM 2246 C CD2 . TYR A 1 142 ? -16.875 -18.070 34.888 1.00 20.33 ? 448 TYR A CD2 1 ATOM 2247 C CE1 . TYR A 1 142 ? -17.761 -18.505 37.482 1.00 22.36 ? 448 TYR A CE1 1 ATOM 2248 C CE2 . TYR A 1 142 ? -16.272 -19.049 35.690 1.00 24.15 ? 448 TYR A CE2 1 ATOM 2249 C CZ . TYR A 1 142 ? -16.733 -19.255 36.982 1.00 24.31 ? 448 TYR A CZ 1 ATOM 2250 O OH . TYR A 1 142 ? -16.132 -20.218 37.767 1.00 27.70 ? 448 TYR A OH 1 ATOM 2251 H H . TYR A 1 142 ? -19.665 -17.695 32.635 1.00 33.15 ? 448 TYR A H 1 ATOM 2252 H HA . TYR A 1 142 ? -20.390 -16.970 35.139 1.00 31.88 ? 448 TYR A HA 1 ATOM 2253 H HB2 . TYR A 1 142 ? -18.101 -16.227 33.687 1.00 25.46 ? 448 TYR A HB2 1 ATOM 2254 H HB3 . TYR A 1 142 ? -18.549 -15.427 34.993 1.00 25.46 ? 448 TYR A HB3 1 ATOM 2255 H HD1 . TYR A 1 142 ? -19.053 -17.016 37.026 1.00 25.59 ? 448 TYR A HD1 1 ATOM 2256 H HD2 . TYR A 1 142 ? -16.573 -17.938 34.019 1.00 24.40 ? 448 TYR A HD2 1 ATOM 2257 H HE1 . TYR A 1 142 ? -18.057 -18.639 38.353 1.00 26.83 ? 448 TYR A HE1 1 ATOM 2258 H HE2 . TYR A 1 142 ? -15.575 -19.565 35.354 1.00 28.98 ? 448 TYR A HE2 1 ATOM 2259 H HH . TYR A 1 142 ? -15.521 -20.600 37.335 1.00 33.24 ? 448 TYR A HH 1 ATOM 2260 N N . GLY A 1 143 ? -21.890 -15.741 33.028 1.00 21.55 ? 449 GLY A N 1 ATOM 2261 C CA . GLY A 1 143 ? -22.837 -14.653 32.800 1.00 22.98 ? 449 GLY A CA 1 ATOM 2262 C C . GLY A 1 143 ? -23.164 -14.263 31.375 1.00 25.69 ? 449 GLY A C 1 ATOM 2263 O O . GLY A 1 143 ? -24.178 -13.598 31.139 1.00 28.33 ? 449 GLY A O 1 ATOM 2264 H H . GLY A 1 143 ? -22.069 -16.483 32.633 1.00 25.87 ? 449 GLY A H 1 ATOM 2265 H HA2 . GLY A 1 143 ? -23.674 -14.886 33.231 1.00 27.58 ? 449 GLY A HA2 1 ATOM 2266 H HA3 . GLY A 1 143 ? -22.496 -13.859 33.242 1.00 27.58 ? 449 GLY A HA3 1 ATOM 2267 N N . PHE A 1 144 ? -22.352 -14.649 30.402 1.00 28.74 ? 450 PHE A N 1 ATOM 2268 C CA . PHE A 1 144 ? -22.639 -14.216 29.037 1.00 27.10 ? 450 PHE A CA 1 ATOM 2269 C C . PHE A 1 144 ? -23.811 -15.013 28.479 1.00 29.44 ? 450 PHE A C 1 ATOM 2270 O O . PHE A 1 144 ? -23.775 -16.244 28.478 1.00 30.32 ? 450 PHE A O 1 ATOM 2271 C CB . PHE A 1 144 ? -21.425 -14.367 28.129 1.00 23.18 ? 450 PHE A CB 1 ATOM 2272 C CG . PHE A 1 144 ? -21.587 -13.605 26.844 1.00 28.71 ? 450 PHE A CG 1 ATOM 2273 C CD1 . PHE A 1 144 ? -22.310 -14.149 25.798 1.00 27.51 ? 450 PHE A CD1 1 ATOM 2274 C CD2 . PHE A 1 144 ? -21.103 -12.324 26.724 1.00 22.33 ? 450 PHE A CD2 1 ATOM 2275 C CE1 . PHE A 1 144 ? -22.512 -13.414 24.621 1.00 24.17 ? 450 PHE A CE1 1 ATOM 2276 C CE2 . PHE A 1 144 ? -21.275 -11.585 25.543 1.00 26.21 ? 450 PHE A CE2 1 ATOM 2277 C CZ . PHE A 1 144 ? -21.984 -12.125 24.504 1.00 23.22 ? 450 PHE A CZ 1 ATOM 2278 H H . PHE A 1 144 ? -21.653 -15.143 30.495 1.00 34.49 ? 450 PHE A H 1 ATOM 2279 H HA . PHE A 1 144 ? -22.891 -13.279 29.048 1.00 32.52 ? 450 PHE A HA 1 ATOM 2280 H HB2 . PHE A 1 144 ? -20.641 -14.026 28.586 1.00 27.82 ? 450 PHE A HB2 1 ATOM 2281 H HB3 . PHE A 1 144 ? -21.304 -15.304 27.911 1.00 27.82 ? 450 PHE A HB3 1 ATOM 2282 H HD1 . PHE A 1 144 ? -22.665 -15.005 25.877 1.00 33.01 ? 450 PHE A HD1 1 ATOM 2283 H HD2 . PHE A 1 144 ? -20.624 -11.951 27.428 1.00 26.79 ? 450 PHE A HD2 1 ATOM 2284 H HE1 . PHE A 1 144 ? -22.982 -13.790 23.912 1.00 29.00 ? 450 PHE A HE1 1 ATOM 2285 H HE2 . PHE A 1 144 ? -20.928 -10.726 25.475 1.00 31.45 ? 450 PHE A HE2 1 ATOM 2286 H HZ . PHE A 1 144 ? -22.103 -11.641 23.719 1.00 27.86 ? 450 PHE A HZ 1 ATOM 2287 N N . ASN A 1 145 ? -24.859 -14.325 28.019 1.00 31.24 ? 451 ASN A N 1 ATOM 2288 C CA A ASN A 1 145 ? -25.999 -14.987 27.389 0.51 40.09 ? 451 ASN A CA 1 ATOM 2289 C CA B ASN A 1 145 ? -26.000 -14.987 27.391 0.49 40.09 ? 451 ASN A CA 1 ATOM 2290 C C . ASN A 1 145 ? -26.087 -14.615 25.916 1.00 37.42 ? 451 ASN A C 1 ATOM 2291 O O . ASN A 1 145 ? -25.728 -15.427 25.057 1.00 43.37 ? 451 ASN A O 1 ATOM 2292 C CB A ASN A 1 145 ? -27.308 -14.670 28.120 0.51 45.98 ? 451 ASN A CB 1 ATOM 2293 C CB B ASN A 1 145 ? -27.302 -14.658 28.137 0.49 45.99 ? 451 ASN A CB 1 ATOM 2294 C CG A ASN A 1 145 ? -27.530 -13.182 28.317 0.51 51.33 ? 451 ASN A CG 1 ATOM 2295 C CG B ASN A 1 145 ? -27.323 -15.196 29.583 0.49 50.34 ? 451 ASN A CG 1 ATOM 2296 O OD1 A ASN A 1 145 ? -26.587 -12.428 28.573 0.51 50.36 ? 451 ASN A OD1 1 ATOM 2297 O OD1 B ASN A 1 145 ? -26.792 -16.270 29.876 0.49 44.48 ? 451 ASN A OD1 1 ATOM 2298 N ND2 A ASN A 1 145 ? -28.784 -12.747 28.188 0.51 53.93 ? 451 ASN A ND2 1 ATOM 2299 N ND2 B ASN A 1 145 ? -27.947 -14.442 30.484 0.49 47.12 ? 451 ASN A ND2 1 ATOM 2300 H H . ASN A 1 145 ? -24.932 -13.469 28.062 1.00 37.49 ? 451 ASN A H 1 ATOM 2301 H HA . ASN A 1 145 ? -25.865 -15.946 27.441 1.00 48.11 ? 451 ASN A HA 1 ATOM 2302 H HB2 A ASN A 1 145 ? -28.051 -15.018 27.601 0.51 55.17 ? 451 ASN A HB2 1 ATOM 2303 H HB2 B ASN A 1 145 ? -27.408 -13.694 28.175 0.49 55.18 ? 451 ASN A HB2 1 ATOM 2304 H HB3 A ASN A 1 145 ? -27.290 -15.089 28.994 0.51 55.17 ? 451 ASN A HB3 1 ATOM 2305 H HB3 B ASN A 1 145 ? -28.047 -15.054 27.659 0.49 55.18 ? 451 ASN A HB3 1 ATOM 2306 H HD21 A ASN A 1 145 ? -28.962 -11.912 28.290 0.51 64.71 ? 451 ASN A HD21 1 ATOM 2307 H HD21 B ASN A 1 145 ? -27.987 -14.697 31.304 0.49 56.55 ? 451 ASN A HD21 1 ATOM 2308 H HD22 A ASN A 1 145 ? -29.414 -13.302 28.002 0.51 64.71 ? 451 ASN A HD22 1 ATOM 2309 H HD22 B ASN A 1 145 ? -28.311 -13.700 30.246 0.49 56.55 ? 451 ASN A HD22 1 ATOM 2310 N N . ASN A 1 146 ? -26.528 -13.396 25.576 1.00 38.27 ? 452 ASN A N 1 ATOM 2311 C CA . ASN A 1 146 ? -26.750 -13.019 24.180 1.00 38.18 ? 452 ASN A CA 1 ATOM 2312 C C . ASN A 1 146 ? -26.140 -11.655 23.876 1.00 41.64 ? 452 ASN A C 1 ATOM 2313 O O . ASN A 1 146 ? -25.705 -10.931 24.764 1.00 34.44 ? 452 ASN A O 1 ATOM 2314 C CB . ASN A 1 146 ? -28.248 -12.990 23.846 1.00 41.19 ? 452 ASN A CB 1 ATOM 2315 C CG . ASN A 1 146 ? -28.890 -14.368 23.900 1.00 58.25 ? 452 ASN A CG 1 ATOM 2316 O OD1 . ASN A 1 146 ? -28.354 -15.339 23.366 1.00 68.20 ? 452 ASN A OD1 1 ATOM 2317 N ND2 . ASN A 1 146 ? -30.042 -14.460 24.558 1.00 76.85 ? 452 ASN A ND2 1 ATOM 2318 H H . ASN A 1 146 ? -26.705 -12.771 26.139 1.00 45.93 ? 452 ASN A H 1 ATOM 2319 H HA . ASN A 1 146 ? -26.326 -13.673 23.603 1.00 45.82 ? 452 ASN A HA 1 ATOM 2320 H HB2 . ASN A 1 146 ? -28.703 -12.421 24.486 1.00 49.43 ? 452 ASN A HB2 1 ATOM 2321 H HB3 . ASN A 1 146 ? -28.364 -12.640 22.949 1.00 49.43 ? 452 ASN A HB3 1 ATOM 2322 H HD21 . ASN A 1 146 ? -30.444 -15.218 24.617 1.00 92.22 ? 452 ASN A HD21 1 ATOM 2323 H HD22 . ASN A 1 146 ? -30.385 -13.762 24.924 1.00 92.22 ? 452 ASN A HD22 1 ATOM 2324 N N . PHE A 1 147 ? -26.086 -11.312 22.595 1.00 31.97 ? 453 PHE A N 1 ATOM 2325 C CA . PHE A 1 147 ? -25.797 -9.951 22.171 1.00 36.43 ? 453 PHE A CA 1 ATOM 2326 C C . PHE A 1 147 ? -27.120 -9.225 21.988 1.00 34.39 ? 453 PHE A C 1 ATOM 2327 O O . PHE A 1 147 ? -28.169 -9.842 21.796 1.00 48.16 ? 453 PHE A O 1 ATOM 2328 C CB . PHE A 1 147 ? -24.995 -9.918 20.848 1.00 38.24 ? 453 PHE A CB 1 ATOM 2329 C CG . PHE A 1 147 ? -23.685 -10.645 20.914 1.00 25.41 ? 453 PHE A CG 1 ATOM 2330 C CD1 . PHE A 1 147 ? -23.630 -12.012 20.705 1.00 20.49 ? 453 PHE A CD1 1 ATOM 2331 C CD2 . PHE A 1 147 ? -22.520 -9.974 21.212 1.00 23.92 ? 453 PHE A CD2 1 ATOM 2332 C CE1 . PHE A 1 147 ? -22.419 -12.690 20.777 1.00 23.76 ? 453 PHE A CE1 1 ATOM 2333 C CE2 . PHE A 1 147 ? -21.326 -10.626 21.293 1.00 20.52 ? 453 PHE A CE2 1 ATOM 2334 C CZ . PHE A 1 147 ? -21.271 -12.003 21.056 1.00 18.79 ? 453 PHE A CZ 1 ATOM 2335 H H . PHE A 1 147 ? -26.216 -11.858 21.943 1.00 38.36 ? 453 PHE A H 1 ATOM 2336 H HA . PHE A 1 147 ? -25.284 -9.496 22.857 1.00 43.72 ? 453 PHE A HA 1 ATOM 2337 H HB2 . PHE A 1 147 ? -25.528 -10.331 20.150 1.00 45.89 ? 453 PHE A HB2 1 ATOM 2338 H HB3 . PHE A 1 147 ? -24.810 -8.994 20.617 1.00 45.89 ? 453 PHE A HB3 1 ATOM 2339 H HD1 . PHE A 1 147 ? -24.408 -12.479 20.505 1.00 24.59 ? 453 PHE A HD1 1 ATOM 2340 H HD2 . PHE A 1 147 ? -22.549 -9.056 21.361 1.00 28.71 ? 453 PHE A HD2 1 ATOM 2341 H HE1 . PHE A 1 147 ? -22.389 -13.607 20.626 1.00 28.51 ? 453 PHE A HE1 1 ATOM 2342 H HE2 . PHE A 1 147 ? -20.548 -10.153 21.485 1.00 24.63 ? 453 PHE A HE2 1 ATOM 2343 H HZ . PHE A 1 147 ? -20.459 -12.454 21.112 1.00 22.55 ? 453 PHE A HZ 1 ATOM 2344 N N . ASN A 1 148 ? -27.070 -7.900 22.055 1.00 29.26 ? 454 ASN A N 1 ATOM 2345 C CA . ASN A 1 148 ? -28.262 -7.080 21.848 1.00 46.57 ? 454 ASN A CA 1 ATOM 2346 C C . ASN A 1 148 ? -27.876 -6.052 20.792 1.00 40.95 ? 454 ASN A C 1 ATOM 2347 O O . ASN A 1 148 ? -27.403 -4.956 21.115 1.00 39.13 ? 454 ASN A O 1 ATOM 2348 C CB . ASN A 1 148 ? -28.741 -6.443 23.159 1.00 47.12 ? 454 ASN A CB 1 ATOM 2349 C CG . ASN A 1 148 ? -29.819 -5.394 22.938 1.00 62.75 ? 454 ASN A CG 1 ATOM 2350 O OD1 . ASN A 1 148 ? -30.664 -5.535 22.055 1.00 73.30 ? 454 ASN A OD1 1 ATOM 2351 N ND2 . ASN A 1 148 ? -29.790 -4.332 23.744 1.00 68.91 ? 454 ASN A ND2 1 ATOM 2352 H H . ASN A 1 148 ? -26.357 -7.448 22.220 1.00 35.11 ? 454 ASN A H 1 ATOM 2353 H HA . ASN A 1 148 ? -28.978 -7.631 21.494 1.00 55.88 ? 454 ASN A HA 1 ATOM 2354 H HB2 . ASN A 1 148 ? -29.108 -7.135 23.731 1.00 56.55 ? 454 ASN A HB2 1 ATOM 2355 H HB3 . ASN A 1 148 ? -27.989 -6.014 23.596 1.00 56.55 ? 454 ASN A HB3 1 ATOM 2356 N N . LEU A 1 149 ? -28.057 -6.421 19.524 1.00 44.00 ? 455 LEU A N 1 ATOM 2357 C CA . LEU A 1 149 ? -27.493 -5.667 18.411 1.00 35.69 ? 455 LEU A CA 1 ATOM 2358 C C . LEU A 1 149 ? -28.508 -5.492 17.295 1.00 37.13 ? 455 LEU A C 1 ATOM 2359 O O . LEU A 1 149 ? -29.383 -6.334 17.091 1.00 43.03 ? 455 LEU A O 1 ATOM 2360 C CB . LEU A 1 149 ? -26.264 -6.371 17.831 1.00 42.68 ? 455 LEU A CB 1 ATOM 2361 C CG . LEU A 1 149 ? -25.032 -6.426 18.720 1.00 31.70 ? 455 LEU A CG 1 ATOM 2362 C CD1 . LEU A 1 149 ? -23.931 -7.235 18.048 1.00 29.82 ? 455 LEU A CD1 1 ATOM 2363 C CD2 . LEU A 1 149 ? -24.560 -5.011 19.004 1.00 38.66 ? 455 LEU A CD2 1 ATOM 2364 H H . LEU A 1 149 ? -28.509 -7.112 19.282 1.00 52.81 ? 455 LEU A H 1 ATOM 2365 H HA . LEU A 1 149 ? -27.224 -4.788 18.721 1.00 42.82 ? 455 LEU A HA 1 ATOM 2366 H HB2 . LEU A 1 149 ? -26.509 -7.286 17.622 1.00 51.22 ? 455 LEU A HB2 1 ATOM 2367 H HB3 . LEU A 1 149 ? -26.009 -5.913 17.015 1.00 51.22 ? 455 LEU A HB3 1 ATOM 2368 H HG . LEU A 1 149 ? -25.257 -6.851 19.562 1.00 38.04 ? 455 LEU A HG 1 ATOM 2369 H HD11 . LEU A 1 149 ? -23.156 -7.258 18.631 1.00 35.79 ? 455 LEU A HD11 1 ATOM 2370 H HD12 . LEU A 1 149 ? -24.253 -8.137 17.891 1.00 35.79 ? 455 LEU A HD12 1 ATOM 2371 H HD13 . LEU A 1 149 ? -23.700 -6.815 17.205 1.00 35.79 ? 455 LEU A HD13 1 ATOM 2372 H HD21 . LEU A 1 149 ? -23.774 -5.048 19.572 1.00 46.39 ? 455 LEU A HD21 1 ATOM 2373 H HD22 . LEU A 1 149 ? -24.342 -4.576 18.165 1.00 46.39 ? 455 LEU A HD22 1 ATOM 2374 H HD23 . LEU A 1 149 ? -25.270 -4.526 19.454 1.00 46.39 ? 455 LEU A HD23 1 ATOM 2375 N N . SER A 1 150 ? -28.344 -4.401 16.543 1.00 38.74 ? 456 SER A N 1 ATOM 2376 C CA . SER A 1 150 ? -29.221 -4.080 15.429 1.00 52.90 ? 456 SER A CA 1 ATOM 2377 C C . SER A 1 150 ? -29.307 -5.258 14.476 1.00 46.68 ? 456 SER A C 1 ATOM 2378 O O . SER A 1 150 ? -28.474 -6.172 14.516 1.00 52.02 ? 456 SER A O 1 ATOM 2379 C CB . SER A 1 150 ? -28.721 -2.836 14.679 1.00 47.30 ? 456 SER A CB 1 ATOM 2380 O OG . SER A 1 150 ? -28.880 -1.662 15.452 1.00 65.31 ? 456 SER A OG 1 ATOM 2381 H H . SER A 1 150 ? -27.717 -3.824 16.665 1.00 46.49 ? 456 SER A H 1 ATOM 2382 H HA . SER A 1 150 ? -30.112 -3.895 15.766 1.00 63.48 ? 456 SER A HA 1 ATOM 2383 H HB2 . SER A 1 150 ? -27.780 -2.951 14.473 1.00 56.76 ? 456 SER A HB2 1 ATOM 2384 H HB3 . SER A 1 150 ? -29.229 -2.741 13.857 1.00 56.76 ? 456 SER A HB3 1 ATOM 2385 H HG . SER A 1 150 ? -28.601 -0.995 15.024 1.00 78.37 ? 456 SER A HG 1 ATOM 2386 N N . SER A 1 151 ? -30.319 -5.258 13.623 1.00 52.36 ? 457 SER A N 1 ATOM 2387 C CA . SER A 1 151 ? -30.371 -6.266 12.580 1.00 62.68 ? 457 SER A CA 1 ATOM 2388 C C . SER A 1 151 ? -29.241 -6.004 11.593 1.00 48.41 ? 457 SER A C 1 ATOM 2389 O O . SER A 1 151 ? -28.940 -4.852 11.261 1.00 53.21 ? 457 SER A O 1 ATOM 2390 C CB . SER A 1 151 ? -31.724 -6.250 11.873 1.00 69.63 ? 457 SER A CB 1 ATOM 2391 O OG . SER A 1 151 ? -32.013 -7.531 11.324 1.00 73.33 ? 457 SER A OG 1 ATOM 2392 H H . SER A 1 151 ? -30.973 -4.700 13.625 1.00 62.83 ? 457 SER A H 1 ATOM 2393 H HA . SER A 1 151 ? -30.239 -7.143 12.972 1.00 75.22 ? 457 SER A HA 1 ATOM 2394 H HB2 . SER A 1 151 ? -32.414 -6.017 12.514 1.00 83.56 ? 457 SER A HB2 1 ATOM 2395 H HB3 . SER A 1 151 ? -31.701 -5.596 11.157 1.00 83.56 ? 457 SER A HB3 1 ATOM 2396 H HG . SER A 1 151 ? -31.421 -7.745 10.768 1.00 88.00 ? 457 SER A HG 1 ATOM 2397 N N . HIS A 1 152 ? -28.590 -7.084 11.163 1.00 32.47 ? 458 HIS A N 1 ATOM 2398 C CA . HIS A 1 152 ? -27.471 -7.108 10.225 1.00 27.31 ? 458 HIS A CA 1 ATOM 2399 C C . HIS A 1 152 ? -26.149 -6.704 10.863 1.00 31.01 ? 458 HIS A C 1 ATOM 2400 O O . HIS A 1 152 ? -25.134 -6.680 10.154 1.00 26.74 ? 458 HIS A O 1 ATOM 2401 C CB . HIS A 1 152 ? -27.744 -6.250 8.979 1.00 30.74 ? 458 HIS A CB 1 ATOM 2402 C CG . HIS A 1 152 ? -28.971 -6.683 8.239 1.00 30.95 ? 458 HIS A CG 1 ATOM 2403 N ND1 . HIS A 1 152 ? -29.865 -5.797 7.681 1.00 39.37 ? 458 HIS A ND1 1 ATOM 2404 C CD2 . HIS A 1 152 ? -29.475 -7.919 8.013 1.00 33.36 ? 458 HIS A CD2 1 ATOM 2405 C CE1 . HIS A 1 152 ? -30.858 -6.471 7.124 1.00 35.47 ? 458 HIS A CE1 1 ATOM 2406 N NE2 . HIS A 1 152 ? -30.647 -7.760 7.319 1.00 31.46 ? 458 HIS A NE2 1 ATOM 2407 H H . HIS A 1 152 ? -28.799 -7.876 11.426 1.00 38.96 ? 458 HIS A H 1 ATOM 2408 H HA . HIS A 1 152 ? -27.365 -8.022 9.918 1.00 32.77 ? 458 HIS A HA 1 ATOM 2409 H HB2 . HIS A 1 152 ? -27.867 -5.327 9.250 1.00 36.89 ? 458 HIS A HB2 1 ATOM 2410 H HB3 . HIS A 1 152 ? -26.988 -6.321 8.374 1.00 36.89 ? 458 HIS A HB3 1 ATOM 2411 H HD2 . HIS A 1 152 ? -29.097 -8.726 8.280 1.00 40.03 ? 458 HIS A HD2 1 ATOM 2412 H HE1 . HIS A 1 152 ? -31.583 -6.100 6.676 1.00 42.57 ? 458 HIS A HE1 1 ATOM 2413 H HE2 . HIS A 1 152 ? -31.155 -8.397 7.042 1.00 37.75 ? 458 HIS A HE2 1 ATOM 2414 N N . SER A 1 153 ? -26.098 -6.473 12.180 1.00 25.95 ? 459 SER A N 1 ATOM 2415 C CA . SER A 1 153 ? -24.822 -6.324 12.863 1.00 21.85 ? 459 SER A CA 1 ATOM 2416 C C . SER A 1 153 ? -24.130 -7.677 12.997 1.00 23.97 ? 459 SER A C 1 ATOM 2417 O O . SER A 1 153 ? -24.749 -8.665 13.394 1.00 27.98 ? 459 SER A O 1 ATOM 2418 C CB . SER A 1 153 ? -25.030 -5.696 14.240 1.00 25.41 ? 459 SER A CB 1 ATOM 2419 O OG . SER A 1 153 ? -25.623 -4.418 14.110 1.00 31.00 ? 459 SER A OG 1 ATOM 2420 H H . SER A 1 153 ? -26.785 -6.399 12.691 1.00 31.14 ? 459 SER A H 1 ATOM 2421 H HA . SER A 1 153 ? -24.248 -5.738 12.345 1.00 26.23 ? 459 SER A HA 1 ATOM 2422 H HB2 . SER A 1 153 ? -25.615 -6.265 14.764 1.00 30.49 ? 459 SER A HB2 1 ATOM 2423 H HB3 . SER A 1 153 ? -24.171 -5.604 14.680 1.00 30.49 ? 459 SER A HB3 1 ATOM 2424 H HG . SER A 1 153 ? -25.736 -4.076 14.868 1.00 37.20 ? 459 SER A HG 1 ATOM 2425 N N . VAL A 1 154 ? -22.839 -7.719 12.692 1.00 23.78 ? 460 VAL A N 1 ATOM 2426 C CA . VAL A 1 154 ? -22.076 -8.956 12.686 1.00 19.49 ? 460 VAL A CA 1 ATOM 2427 C C . VAL A 1 154 ? -20.943 -8.796 13.685 1.00 20.11 ? 460 VAL A C 1 ATOM 2428 O O . VAL A 1 154 ? -20.053 -7.948 13.505 1.00 20.46 ? 460 VAL A O 1 ATOM 2429 C CB . VAL A 1 154 ? -21.543 -9.309 11.287 1.00 18.65 ? 460 VAL A CB 1 ATOM 2430 C CG1 . VAL A 1 154 ? -20.772 -10.636 11.365 1.00 21.14 ? 460 VAL A CG1 1 ATOM 2431 C CG2 . VAL A 1 154 ? -22.689 -9.389 10.280 1.00 18.45 ? 460 VAL A CG2 1 ATOM 2432 H H . VAL A 1 154 ? -22.374 -7.027 12.481 1.00 28.54 ? 460 VAL A H 1 ATOM 2433 H HA . VAL A 1 154 ? -22.644 -9.683 12.986 1.00 23.39 ? 460 VAL A HA 1 ATOM 2434 H HB . VAL A 1 154 ? -20.929 -8.617 10.995 1.00 22.38 ? 460 VAL A HB 1 ATOM 2435 H HG11 . VAL A 1 154 ? -20.436 -10.858 10.482 1.00 25.36 ? 460 VAL A HG11 1 ATOM 2436 H HG12 . VAL A 1 154 ? -20.033 -10.536 11.985 1.00 25.36 ? 460 VAL A HG12 1 ATOM 2437 H HG13 . VAL A 1 154 ? -21.373 -11.332 11.675 1.00 25.36 ? 460 VAL A HG13 1 ATOM 2438 H HG21 . VAL A 1 154 ? -22.327 -9.612 9.408 1.00 22.14 ? 460 VAL A HG21 1 ATOM 2439 H HG22 . VAL A 1 154 ? -23.313 -10.075 10.565 1.00 22.14 ? 460 VAL A HG22 1 ATOM 2440 H HG23 . VAL A 1 154 ? -23.137 -8.529 10.242 1.00 22.14 ? 460 VAL A HG23 1 ATOM 2441 N N . VAL A 1 155 ? -20.990 -9.600 14.752 1.00 19.71 ? 461 VAL A N 1 ATOM 2442 C CA . VAL A 1 155 ? -19.988 -9.549 15.808 1.00 14.31 ? 461 VAL A CA 1 ATOM 2443 C C . VAL A 1 155 ? -18.682 -10.142 15.311 1.00 20.29 ? 461 VAL A C 1 ATOM 2444 O O . VAL A 1 155 ? -18.665 -11.099 14.527 1.00 18.58 ? 461 VAL A O 1 ATOM 2445 C CB . VAL A 1 155 ? -20.487 -10.324 17.045 1.00 20.33 ? 461 VAL A CB 1 ATOM 2446 C CG1 . VAL A 1 155 ? -19.374 -10.520 18.065 1.00 27.94 ? 461 VAL A CG1 1 ATOM 2447 C CG2 . VAL A 1 155 ? -21.670 -9.614 17.687 1.00 24.38 ? 461 VAL A CG2 1 ATOM 2448 H H . VAL A 1 155 ? -21.602 -10.190 14.885 1.00 23.66 ? 461 VAL A H 1 ATOM 2449 H HA . VAL A 1 155 ? -19.831 -8.626 16.064 1.00 17.17 ? 461 VAL A HA 1 ATOM 2450 H HB . VAL A 1 155 ? -20.787 -11.202 16.762 1.00 24.39 ? 461 VAL A HB 1 ATOM 2451 H HG11 . VAL A 1 155 ? -19.725 -11.010 18.825 1.00 33.53 ? 461 VAL A HG11 1 ATOM 2452 H HG12 . VAL A 1 155 ? -18.653 -11.021 17.653 1.00 33.53 ? 461 VAL A HG12 1 ATOM 2453 H HG13 . VAL A 1 155 ? -19.051 -9.651 18.351 1.00 33.53 ? 461 VAL A HG13 1 ATOM 2454 H HG21 . VAL A 1 155 ? -21.962 -10.122 18.460 1.00 29.26 ? 461 VAL A HG21 1 ATOM 2455 H HG22 . VAL A 1 155 ? -21.394 -8.725 17.960 1.00 29.26 ? 461 VAL A HG22 1 ATOM 2456 H HG23 . VAL A 1 155 ? -22.390 -9.552 17.040 1.00 29.26 ? 461 VAL A HG23 1 ATOM 2457 N N . TYR A 1 156 ? -17.574 -9.625 15.825 1.00 18.38 ? 462 TYR A N 1 ATOM 2458 C CA . TYR A 1 156 ? -16.295 -10.311 15.711 1.00 16.95 ? 462 TYR A CA 1 ATOM 2459 C C . TYR A 1 156 ? -15.510 -10.055 16.987 1.00 19.76 ? 462 TYR A C 1 ATOM 2460 O O . TYR A 1 156 ? -15.609 -8.987 17.592 1.00 18.05 ? 462 TYR A O 1 ATOM 2461 C CB . TYR A 1 156 ? -15.465 -9.847 14.494 1.00 22.76 ? 462 TYR A CB 1 ATOM 2462 C CG . TYR A 1 156 ? -15.254 -8.342 14.461 1.00 19.34 ? 462 TYR A CG 1 ATOM 2463 C CD1 . TYR A 1 156 ? -16.217 -7.516 13.915 1.00 21.88 ? 462 TYR A CD1 1 ATOM 2464 C CD2 . TYR A 1 156 ? -14.103 -7.756 14.970 1.00 20.04 ? 462 TYR A CD2 1 ATOM 2465 C CE1 . TYR A 1 156 ? -16.063 -6.163 13.887 1.00 21.27 ? 462 TYR A CE1 1 ATOM 2466 C CE2 . TYR A 1 156 ? -13.936 -6.362 14.967 1.00 20.05 ? 462 TYR A CE2 1 ATOM 2467 C CZ . TYR A 1 156 ? -14.921 -5.574 14.416 1.00 20.89 ? 462 TYR A CZ 1 ATOM 2468 O OH . TYR A 1 156 ? -14.802 -4.192 14.364 1.00 23.58 ? 462 TYR A OH 1 ATOM 2469 H H . TYR A 1 156 ? -17.535 -8.876 16.247 1.00 22.06 ? 462 TYR A H 1 ATOM 2470 H HA . TYR A 1 156 ? -16.448 -11.266 15.631 1.00 20.34 ? 462 TYR A HA 1 ATOM 2471 H HB2 . TYR A 1 156 ? -14.593 -10.271 14.526 1.00 27.31 ? 462 TYR A HB2 1 ATOM 2472 H HB3 . TYR A 1 156 ? -15.927 -10.103 13.680 1.00 27.31 ? 462 TYR A HB3 1 ATOM 2473 H HD1 . TYR A 1 156 ? -16.994 -7.892 13.568 1.00 26.25 ? 462 TYR A HD1 1 ATOM 2474 H HD2 . TYR A 1 156 ? -13.448 -8.294 15.353 1.00 24.04 ? 462 TYR A HD2 1 ATOM 2475 H HE1 . TYR A 1 156 ? -16.730 -5.630 13.519 1.00 25.53 ? 462 TYR A HE1 1 ATOM 2476 H HE2 . TYR A 1 156 ? -13.162 -5.978 15.312 1.00 24.06 ? 462 TYR A HE2 1 ATOM 2477 H HH . TYR A 1 156 ? -15.479 -3.859 13.994 1.00 28.30 ? 462 TYR A HH 1 ATOM 2478 N N . SER A 1 157 ? -14.743 -11.052 17.399 1.00 17.33 ? 463 SER A N 1 ATOM 2479 C CA . SER A 1 157 ? -13.787 -10.882 18.472 1.00 16.76 ? 463 SER A CA 1 ATOM 2480 C C . SER A 1 157 ? -12.533 -10.197 17.960 1.00 19.45 ? 463 SER A C 1 ATOM 2481 O O . SER A 1 157 ? -12.096 -10.421 16.824 1.00 18.80 ? 463 SER A O 1 ATOM 2482 C CB . SER A 1 157 ? -13.420 -12.234 19.080 1.00 21.41 ? 463 SER A CB 1 ATOM 2483 O OG . SER A 1 157 ? -12.386 -12.063 20.037 1.00 24.93 ? 463 SER A OG 1 ATOM 2484 H H . SER A 1 157 ? -14.760 -11.845 17.068 1.00 20.80 ? 463 SER A H 1 ATOM 2485 H HA . SER A 1 157 ? -14.176 -10.329 19.167 1.00 20.11 ? 463 SER A HA 1 ATOM 2486 H HB2 . SER A 1 157 ? -14.200 -12.611 19.516 1.00 25.69 ? 463 SER A HB2 1 ATOM 2487 H HB3 . SER A 1 157 ? -13.110 -12.827 18.377 1.00 25.69 ? 463 SER A HB3 1 ATOM 2488 H HG . SER A 1 157 ? -12.181 -12.804 20.374 1.00 29.91 ? 463 SER A HG 1 ATOM 2489 N N . ARG A 1 158 ? -11.983 -9.318 18.793 1.00 16.30 ? 464 ARG A N 1 ATOM 2490 C CA . ARG A 1 158 ? -10.656 -8.763 18.587 1.00 20.49 ? 464 ARG A CA 1 ATOM 2491 C C . ARG A 1 158 ? -9.600 -9.603 19.258 1.00 19.95 ? 464 ARG A C 1 ATOM 2492 O O . ARG A 1 158 ? -8.528 -9.822 18.688 1.00 18.71 ? 464 ARG A O 1 ATOM 2493 C CB . ARG A 1 158 ? -10.567 -7.348 19.156 1.00 17.60 ? 464 ARG A CB 1 ATOM 2494 C CG . ARG A 1 158 ? -11.417 -6.283 18.442 1.00 20.94 ? 464 ARG A CG 1 ATOM 2495 C CD . ARG A 1 158 ? -11.391 -4.969 19.269 1.00 27.04 ? 464 ARG A CD 1 ATOM 2496 N NE . ARG A 1 158 ? -12.080 -3.901 18.562 1.00 19.51 ? 464 ARG A NE 1 ATOM 2497 C CZ . ARG A 1 158 ? -12.752 -2.895 19.108 1.00 19.84 ? 464 ARG A CZ 1 ATOM 2498 N NH1 . ARG A 1 158 ? -12.868 -2.766 20.427 1.00 27.05 ? 464 ARG A NH1 1 ATOM 2499 N NH2 . ARG A 1 158 ? -13.330 -2.018 18.299 1.00 26.33 ? 464 ARG A NH2 1 ATOM 2500 H H . ARG A 1 158 ? -12.371 -9.022 19.501 1.00 19.55 ? 464 ARG A H 1 ATOM 2501 H HA . ARG A 1 158 ? -10.463 -8.726 17.637 1.00 24.58 ? 464 ARG A HA 1 ATOM 2502 H HB2 . ARG A 1 158 ? -10.854 -7.373 20.083 1.00 21.12 ? 464 ARG A HB2 1 ATOM 2503 H HB3 . ARG A 1 158 ? -9.643 -7.058 19.113 1.00 21.12 ? 464 ARG A HB3 1 ATOM 2504 H HG2 . ARG A 1 158 ? -11.047 -6.104 17.563 1.00 25.12 ? 464 ARG A HG2 1 ATOM 2505 H HG3 . ARG A 1 158 ? -12.335 -6.589 18.372 1.00 25.12 ? 464 ARG A HG3 1 ATOM 2506 H HD2 . ARG A 1 158 ? -11.838 -5.113 20.117 1.00 32.45 ? 464 ARG A HD2 1 ATOM 2507 H HD3 . ARG A 1 158 ? -10.471 -4.696 19.413 1.00 32.45 ? 464 ARG A HD3 1 ATOM 2508 H HE . ARG A 1 158 ? -12.050 -3.924 17.703 1.00 23.41 ? 464 ARG A HE 1 ATOM 2509 H HH11 . ARG A 1 158 ? -12.497 -3.339 20.950 1.00 32.46 ? 464 ARG A HH11 1 ATOM 2510 H HH12 . ARG A 1 158 ? -13.310 -2.106 20.758 1.00 32.46 ? 464 ARG A HH12 1 ATOM 2511 H HH21 . ARG A 1 158 ? -13.253 -2.104 17.447 1.00 31.59 ? 464 ARG A HH21 1 ATOM 2512 H HH22 . ARG A 1 158 ? -13.769 -1.355 18.627 1.00 31.59 ? 464 ARG A HH22 1 ATOM 2513 N N . TYR A 1 159 ? -9.887 -10.034 20.490 1.00 21.44 ? 465 TYR A N 1 ATOM 2514 C CA . TYR A 1 159 ? -8.944 -10.712 21.365 1.00 20.21 ? 465 TYR A CA 1 ATOM 2515 C C . TYR A 1 159 ? -9.663 -11.848 22.070 1.00 21.59 ? 465 TYR A C 1 ATOM 2516 O O . TYR A 1 159 ? -10.778 -11.653 22.559 1.00 20.19 ? 465 TYR A O 1 ATOM 2517 C CB . TYR A 1 159 ? -8.395 -9.752 22.429 1.00 20.42 ? 465 TYR A CB 1 ATOM 2518 C CG . TYR A 1 159 ? -7.888 -8.450 21.854 1.00 19.50 ? 465 TYR A CG 1 ATOM 2519 C CD1 . TYR A 1 159 ? -6.688 -8.410 21.162 1.00 25.68 ? 465 TYR A CD1 1 ATOM 2520 C CD2 . TYR A 1 159 ? -8.608 -7.259 22.003 1.00 19.29 ? 465 TYR A CD2 1 ATOM 2521 C CE1 . TYR A 1 159 ? -6.225 -7.238 20.619 1.00 28.27 ? 465 TYR A CE1 1 ATOM 2522 C CE2 . TYR A 1 159 ? -8.138 -6.079 21.457 1.00 22.82 ? 465 TYR A CE2 1 ATOM 2523 C CZ . TYR A 1 159 ? -6.957 -6.082 20.767 1.00 28.21 ? 465 TYR A CZ 1 ATOM 2524 O OH . TYR A 1 159 ? -6.491 -4.920 20.216 1.00 24.81 ? 465 TYR A OH 1 ATOM 2525 H H . TYR A 1 159 ? -10.662 -9.936 20.851 1.00 25.73 ? 465 TYR A H 1 ATOM 2526 H HA . TYR A 1 159 ? -8.206 -11.072 20.849 1.00 24.26 ? 465 TYR A HA 1 ATOM 2527 H HB2 . TYR A 1 159 ? -9.102 -9.544 23.059 1.00 24.51 ? 465 TYR A HB2 1 ATOM 2528 H HB3 . TYR A 1 159 ? -7.657 -10.181 22.890 1.00 24.51 ? 465 TYR A HB3 1 ATOM 2529 H HD1 . TYR A 1 159 ? -6.198 -9.193 21.049 1.00 30.81 ? 465 TYR A HD1 1 ATOM 2530 H HD2 . TYR A 1 159 ? -9.417 -7.264 22.462 1.00 23.15 ? 465 TYR A HD2 1 ATOM 2531 H HE1 . TYR A 1 159 ? -5.423 -7.226 20.149 1.00 33.92 ? 465 TYR A HE1 1 ATOM 2532 H HE2 . TYR A 1 159 ? -8.624 -5.292 21.550 1.00 27.38 ? 465 TYR A HE2 1 ATOM 2533 H HH . TYR A 1 159 ? -7.025 -4.292 20.376 1.00 29.77 ? 465 TYR A HH 1 ATOM 2534 N N . CYS A 1 160 ? -9.047 -13.025 22.098 1.00 20.08 ? 466 CYS A N 1 ATOM 2535 C CA A CYS A 1 160 ? -9.605 -14.175 22.791 0.59 20.04 ? 466 CYS A CA 1 ATOM 2536 C CA B CYS A 1 160 ? -9.592 -14.187 22.788 0.41 20.06 ? 466 CYS A CA 1 ATOM 2537 C C . CYS A 1 160 ? -8.736 -14.525 23.991 1.00 19.19 ? 466 CYS A C 1 ATOM 2538 O O . CYS A 1 160 ? -7.528 -14.307 23.989 1.00 21.19 ? 466 CYS A O 1 ATOM 2539 C CB A CYS A 1 160 ? -9.742 -15.378 21.852 0.59 21.59 ? 466 CYS A CB 1 ATOM 2540 C CB B CYS A 1 160 ? -9.626 -15.454 21.929 0.41 21.49 ? 466 CYS A CB 1 ATOM 2541 S SG A CYS A 1 160 ? -10.905 -15.068 20.481 0.59 21.11 ? 466 CYS A SG 1 ATOM 2542 S SG B CYS A 1 160 ? -9.804 -15.275 20.176 0.41 19.02 ? 466 CYS A SG 1 ATOM 2543 H H . CYS A 1 160 ? -8.292 -13.178 21.715 1.00 24.10 ? 466 CYS A H 1 ATOM 2544 H HA . CYS A 1 160 ? -10.491 -13.971 23.105 1.00 24.07 ? 466 CYS A HA 1 ATOM 2545 H HB2 A CYS A 1 160 ? -8.874 -15.581 21.470 0.59 25.91 ? 466 CYS A HB2 1 ATOM 2546 H HB2 B CYS A 1 160 ? -8.799 -15.937 22.080 0.41 25.79 ? 466 CYS A HB2 1 ATOM 2547 H HB3 A CYS A 1 160 ? -10.069 -16.138 22.358 0.59 25.91 ? 466 CYS A HB3 1 ATOM 2548 H HB3 B CYS A 1 160 ? -10.369 -15.999 22.233 0.41 25.79 ? 466 CYS A HB3 1 ATOM 2549 H HG B CYS A 1 160 ? -10.837 -14.710 19.944 0.41 22.83 ? 466 CYS A HG 1 ATOM 2550 N N . PHE A 1 161 ? -9.376 -15.104 24.993 1.00 20.38 ? 467 PHE A N 1 ATOM 2551 C CA . PHE A 1 161 ? -8.728 -15.492 26.236 1.00 21.96 ? 467 PHE A CA 1 ATOM 2552 C C . PHE A 1 161 ? -9.181 -16.888 26.634 1.00 15.69 ? 467 PHE A C 1 ATOM 2553 O O . PHE A 1 161 ? -10.369 -17.206 26.581 1.00 17.70 ? 467 PHE A O 1 ATOM 2554 C CB . PHE A 1 161 ? -9.070 -14.490 27.326 1.00 18.39 ? 467 PHE A CB 1 ATOM 2555 C CG . PHE A 1 161 ? -8.414 -13.162 27.133 1.00 19.34 ? 467 PHE A CG 1 ATOM 2556 C CD1 . PHE A 1 161 ? -9.002 -12.204 26.322 1.00 18.07 ? 467 PHE A CD1 1 ATOM 2557 C CD2 . PHE A 1 161 ? -7.187 -12.885 27.710 1.00 20.55 ? 467 PHE A CD2 1 ATOM 2558 C CE1 . PHE A 1 161 ? -8.385 -10.985 26.105 1.00 19.79 ? 467 PHE A CE1 1 ATOM 2559 C CE2 . PHE A 1 161 ? -6.567 -11.666 27.497 1.00 25.09 ? 467 PHE A CE2 1 ATOM 2560 C CZ . PHE A 1 161 ? -7.169 -10.722 26.674 1.00 17.05 ? 467 PHE A CZ 1 ATOM 2561 H H . PHE A 1 161 ? -10.215 -15.289 24.976 1.00 24.46 ? 467 PHE A H 1 ATOM 2562 H HA . PHE A 1 161 ? -7.766 -15.501 26.113 1.00 26.35 ? 467 PHE A HA 1 ATOM 2563 H HB2 . PHE A 1 161 ? -10.030 -14.350 27.335 1.00 22.07 ? 467 PHE A HB2 1 ATOM 2564 H HB3 . PHE A 1 161 ? -8.780 -14.844 28.181 1.00 22.07 ? 467 PHE A HB3 1 ATOM 2565 H HD1 . PHE A 1 161 ? -9.821 -12.383 25.917 1.00 21.69 ? 467 PHE A HD1 1 ATOM 2566 H HD2 . PHE A 1 161 ? -6.776 -13.523 28.247 1.00 24.66 ? 467 PHE A HD2 1 ATOM 2567 H HE1 . PHE A 1 161 ? -8.791 -10.349 25.562 1.00 23.75 ? 467 PHE A HE1 1 ATOM 2568 H HE2 . PHE A 1 161 ? -5.744 -11.486 27.892 1.00 30.11 ? 467 PHE A HE2 1 ATOM 2569 H HZ . PHE A 1 161 ? -6.763 -9.896 26.541 1.00 20.47 ? 467 PHE A HZ 1 ATOM 2570 N N . SER A 1 162 ? -8.240 -17.703 27.060 1.00 16.70 ? 468 SER A N 1 ATOM 2571 C CA . SER A 1 162 ? -8.554 -19.020 27.565 1.00 20.09 ? 468 SER A CA 1 ATOM 2572 C C . SER A 1 162 ? -8.361 -19.049 29.078 1.00 21.14 ? 468 SER A C 1 ATOM 2573 O O . SER A 1 162 ? -7.562 -18.298 29.634 1.00 20.75 ? 468 SER A O 1 ATOM 2574 C CB . SER A 1 162 ? -7.664 -20.086 26.901 1.00 24.60 ? 468 SER A CB 1 ATOM 2575 O OG . SER A 1 162 ? -6.303 -19.885 27.245 1.00 25.63 ? 468 SER A OG 1 ATOM 2576 H H . SER A 1 162 ? -7.401 -17.514 27.067 1.00 20.04 ? 468 SER A H 1 ATOM 2577 H HA . SER A 1 162 ? -9.481 -19.229 27.370 1.00 24.11 ? 468 SER A HA 1 ATOM 2578 H HB2 . SER A 1 162 ? -7.940 -20.965 27.206 1.00 29.52 ? 468 SER A HB2 1 ATOM 2579 H HB3 . SER A 1 162 ? -7.760 -20.024 25.938 1.00 29.52 ? 468 SER A HB3 1 ATOM 2580 H HG . SER A 1 162 ? -6.207 -19.935 28.078 1.00 30.75 ? 468 SER A HG 1 ATOM 2581 N N . VAL A 1 163 ? -9.076 -19.939 29.735 1.00 17.54 ? 469 VAL A N 1 ATOM 2582 C CA . VAL A 1 163 ? -8.877 -20.171 31.166 1.00 21.83 ? 469 VAL A CA 1 ATOM 2583 C C . VAL A 1 163 ? -8.893 -21.670 31.419 1.00 25.92 ? 469 VAL A C 1 ATOM 2584 O O . VAL A 1 163 ? -9.397 -22.448 30.612 1.00 25.97 ? 469 VAL A O 1 ATOM 2585 C CB . VAL A 1 163 ? -9.949 -19.484 32.010 1.00 19.38 ? 469 VAL A CB 1 ATOM 2586 C CG1 . VAL A 1 163 ? -9.959 -17.989 31.726 1.00 22.69 ? 469 VAL A CG1 1 ATOM 2587 C CG2 . VAL A 1 163 ? -11.311 -20.079 31.758 1.00 20.54 ? 469 VAL A CG2 1 ATOM 2588 H H . VAL A 1 163 ? -9.688 -20.429 29.381 1.00 21.05 ? 469 VAL A H 1 ATOM 2589 H HA . VAL A 1 163 ? -8.011 -19.825 31.431 1.00 26.20 ? 469 VAL A HA 1 ATOM 2590 H HB . VAL A 1 163 ? -9.738 -19.608 32.948 1.00 23.26 ? 469 VAL A HB 1 ATOM 2591 H HG11 . VAL A 1 163 ? -10.644 -17.569 32.269 1.00 27.23 ? 469 VAL A HG11 1 ATOM 2592 H HG12 . VAL A 1 163 ? -9.089 -17.621 31.947 1.00 27.23 ? 469 VAL A HG12 1 ATOM 2593 H HG13 . VAL A 1 163 ? -10.149 -17.848 30.785 1.00 27.23 ? 469 VAL A HG13 1 ATOM 2594 H HG21 . VAL A 1 163 ? -11.963 -19.619 32.309 1.00 24.65 ? 469 VAL A HG21 1 ATOM 2595 H HG22 . VAL A 1 163 ? -11.534 -19.970 30.820 1.00 24.65 ? 469 VAL A HG22 1 ATOM 2596 H HG23 . VAL A 1 163 ? -11.290 -21.021 31.986 1.00 24.65 ? 469 VAL A HG23 1 ATOM 2597 N N . ASN A 1 164 ? -8.328 -22.077 32.550 1.00 25.14 ? 470 ASN A N 1 ATOM 2598 C CA . ASN A 1 164 ? -8.380 -23.482 32.911 1.00 29.50 ? 470 ASN A CA 1 ATOM 2599 C C . ASN A 1 164 ? -9.647 -23.752 33.726 1.00 31.13 ? 470 ASN A C 1 ATOM 2600 O O . ASN A 1 164 ? -10.450 -22.860 33.994 1.00 27.86 ? 470 ASN A O 1 ATOM 2601 C CB . ASN A 1 164 ? -7.073 -23.909 33.605 1.00 34.49 ? 470 ASN A CB 1 ATOM 2602 C CG . ASN A 1 164 ? -6.877 -23.340 35.013 1.00 46.87 ? 470 ASN A CG 1 ATOM 2603 O OD1 . ASN A 1 164 ? -7.807 -22.851 35.662 1.00 49.57 ? 470 ASN A OD1 1 ATOM 2604 N ND2 . ASN A 1 164 ? -5.621 -23.438 35.498 1.00 46.00 ? 470 ASN A ND2 1 ATOM 2605 H H . ASN A 1 164 ? -7.918 -21.571 33.112 1.00 30.16 ? 470 ASN A H 1 ATOM 2606 H HA . ASN A 1 164 ? -8.451 -24.001 32.095 1.00 35.40 ? 470 ASN A HA 1 ATOM 2607 H HB2 . ASN A 1 164 ? -7.063 -24.876 33.676 1.00 41.39 ? 470 ASN A HB2 1 ATOM 2608 H HB3 . ASN A 1 164 ? -6.325 -23.613 33.063 1.00 41.39 ? 470 ASN A HB3 1 ATOM 2609 N N . ASN A 1 165 ? -9.876 -25.014 34.063 1.00 26.79 ? 471 ASN A N 1 ATOM 2610 C CA . ASN A 1 165 ? -11.211 -25.342 34.551 1.00 21.73 ? 471 ASN A CA 1 ATOM 2611 C C . ASN A 1 165 ? -11.419 -24.917 35.999 1.00 24.67 ? 471 ASN A C 1 ATOM 2612 O O . ASN A 1 165 ? -12.547 -24.981 36.491 1.00 27.98 ? 471 ASN A O 1 ATOM 2613 C CB . ASN A 1 165 ? -11.475 -26.844 34.408 1.00 35.67 ? 471 ASN A CB 1 ATOM 2614 C CG . ASN A 1 165 ? -10.385 -27.670 35.007 1.00 41.57 ? 471 ASN A CG 1 ATOM 2615 O OD1 . ASN A 1 165 ? -9.689 -27.225 35.915 1.00 55.70 ? 471 ASN A OD1 1 ATOM 2616 N ND2 . ASN A 1 165 ? -10.205 -28.885 34.490 1.00 83.67 ? 471 ASN A ND2 1 ATOM 2617 H H . ASN A 1 165 ? -9.315 -25.665 34.023 1.00 32.14 ? 471 ASN A H 1 ATOM 2618 H HA . ASN A 1 165 ? -11.865 -24.873 34.009 1.00 26.07 ? 471 ASN A HA 1 ATOM 2619 H HB2 . ASN A 1 165 ? -12.305 -27.065 34.860 1.00 42.80 ? 471 ASN A HB2 1 ATOM 2620 H HB3 . ASN A 1 165 ? -11.539 -27.066 33.466 1.00 42.80 ? 471 ASN A HB3 1 ATOM 2621 H HD21 . ASN A 1 165 ? -9.589 -29.398 34.802 1.00 100.40 ? 471 ASN A HD21 1 ATOM 2622 H HD22 . ASN A 1 165 ? -10.704 -29.156 33.844 1.00 100.40 ? 471 ASN A HD22 1 ATOM 2623 N N . THR A 1 166 ? -10.376 -24.480 36.681 1.00 25.80 ? 472 THR A N 1 ATOM 2624 C CA . THR A 1 166 ? -10.549 -23.975 38.033 1.00 22.89 ? 472 THR A CA 1 ATOM 2625 C C . THR A 1 166 ? -10.806 -22.478 38.060 1.00 26.55 ? 472 THR A C 1 ATOM 2626 O O . THR A 1 166 ? -10.912 -21.889 39.145 1.00 20.30 ? 472 THR A O 1 ATOM 2627 C CB . THR A 1 166 ? -9.325 -24.307 38.885 1.00 30.01 ? 472 THR A CB 1 ATOM 2628 O OG1 . THR A 1 166 ? -8.165 -23.710 38.319 1.00 33.33 ? 472 THR A OG1 1 ATOM 2629 C CG2 . THR A 1 166 ? -9.120 -25.823 38.966 1.00 37.52 ? 472 THR A CG2 1 ATOM 2630 H H . THR A 1 166 ? -9.567 -24.464 36.391 1.00 30.96 ? 472 THR A H 1 ATOM 2631 H HA . THR A 1 166 ? -11.316 -24.413 38.433 1.00 27.47 ? 472 THR A HA 1 ATOM 2632 H HB . THR A 1 166 ? -9.456 -23.967 39.784 1.00 36.01 ? 472 THR A HB 1 ATOM 2633 H HG1 . THR A 1 166 ? -8.044 -24.001 37.540 1.00 40.00 ? 472 THR A HG1 1 ATOM 2634 H HG21 . THR A 1 166 ? -8.342 -26.024 39.509 1.00 45.03 ? 472 THR A HG21 1 ATOM 2635 H HG22 . THR A 1 166 ? -9.899 -26.241 39.365 1.00 45.03 ? 472 THR A HG22 1 ATOM 2636 H HG23 . THR A 1 166 ? -8.987 -26.187 38.077 1.00 45.03 ? 472 THR A HG23 1 ATOM 2637 N N . PHE A 1 167 ? -10.942 -21.852 36.903 1.00 23.08 ? 473 PHE A N 1 ATOM 2638 C CA . PHE A 1 167 ? -11.093 -20.406 36.858 1.00 23.36 ? 473 PHE A CA 1 ATOM 2639 C C . PHE A 1 167 ? -12.405 -19.932 37.460 1.00 17.98 ? 473 PHE A C 1 ATOM 2640 O O . PHE A 1 167 ? -13.477 -20.487 37.192 1.00 20.84 ? 473 PHE A O 1 ATOM 2641 C CB . PHE A 1 167 ? -11.019 -19.912 35.414 1.00 22.19 ? 473 PHE A CB 1 ATOM 2642 C CG . PHE A 1 167 ? -11.237 -18.426 35.280 1.00 19.73 ? 473 PHE A CG 1 ATOM 2643 C CD1 . PHE A 1 167 ? -10.234 -17.537 35.599 1.00 22.20 ? 473 PHE A CD1 1 ATOM 2644 C CD2 . PHE A 1 167 ? -12.443 -17.923 34.812 1.00 20.63 ? 473 PHE A CD2 1 ATOM 2645 C CE1 . PHE A 1 167 ? -10.437 -16.155 35.453 1.00 24.19 ? 473 PHE A CE1 1 ATOM 2646 C CE2 . PHE A 1 167 ? -12.639 -16.544 34.667 1.00 18.62 ? 473 PHE A CE2 1 ATOM 2647 C CZ . PHE A 1 167 ? -11.647 -15.676 34.994 1.00 20.89 ? 473 PHE A CZ 1 ATOM 2648 H H . PHE A 1 167 ? -10.951 -22.237 36.134 1.00 27.69 ? 473 PHE A H 1 ATOM 2649 H HA . PHE A 1 167 ? -10.367 -19.996 37.354 1.00 28.04 ? 473 PHE A HA 1 ATOM 2650 H HB2 . PHE A 1 167 ? -10.141 -20.118 35.056 1.00 26.63 ? 473 PHE A HB2 1 ATOM 2651 H HB3 . PHE A 1 167 ? -11.702 -20.362 34.893 1.00 26.63 ? 473 PHE A HB3 1 ATOM 2652 H HD1 . PHE A 1 167 ? -9.417 -17.854 35.909 1.00 26.64 ? 473 PHE A HD1 1 ATOM 2653 H HD2 . PHE A 1 167 ? -13.128 -18.510 34.587 1.00 24.75 ? 473 PHE A HD2 1 ATOM 2654 H HE1 . PHE A 1 167 ? -9.758 -15.561 35.676 1.00 29.03 ? 473 PHE A HE1 1 ATOM 2655 H HE2 . PHE A 1 167 ? -13.455 -16.222 34.359 1.00 22.34 ? 473 PHE A HE2 1 ATOM 2656 H HZ . PHE A 1 167 ? -11.779 -14.760 34.901 1.00 25.07 ? 473 PHE A HZ 1 ATOM 2657 N N . CYS A 1 168 ? -12.313 -18.857 38.247 1.00 16.51 ? 474 CYS A N 1 ATOM 2658 C CA . CYS A 1 168 ? -13.474 -18.092 38.708 1.00 19.29 ? 474 CYS A CA 1 ATOM 2659 C C . CYS A 1 168 ? -13.079 -16.620 38.698 1.00 23.67 ? 474 CYS A C 1 ATOM 2660 O O . CYS A 1 168 ? -11.982 -16.275 39.173 1.00 16.89 ? 474 CYS A O 1 ATOM 2661 C CB . CYS A 1 168 ? -13.908 -18.482 40.133 1.00 22.75 ? 474 CYS A CB 1 ATOM 2662 S SG . CYS A 1 168 ? -15.346 -17.565 40.719 1.00 21.92 ? 474 CYS A SG 1 ATOM 2663 H H . CYS A 1 168 ? -11.565 -18.544 38.536 1.00 19.81 ? 474 CYS A H 1 ATOM 2664 H HA . CYS A 1 168 ? -14.220 -18.223 38.102 1.00 23.15 ? 474 CYS A HA 1 ATOM 2665 H HB2 . CYS A 1 168 ? -14.131 -19.426 40.146 1.00 27.31 ? 474 CYS A HB2 1 ATOM 2666 H HB3 . CYS A 1 168 ? -13.175 -18.308 40.743 1.00 27.31 ? 474 CYS A HB3 1 ATOM 2667 N N . PRO A 1 169 ? -13.933 -15.725 38.197 1.00 19.21 ? 475 PRO A N 1 ATOM 2668 C CA . PRO A 1 169 ? -13.538 -14.313 38.108 1.00 19.37 ? 475 PRO A CA 1 ATOM 2669 C C . PRO A 1 169 ? -13.799 -13.454 39.343 1.00 18.60 ? 475 PRO A C 1 ATOM 2670 O O . PRO A 1 169 ? -13.450 -12.273 39.308 1.00 22.66 ? 475 PRO A O 1 ATOM 2671 C CB . PRO A 1 169 ? -14.384 -13.810 36.935 1.00 18.48 ? 475 PRO A CB 1 ATOM 2672 C CG . PRO A 1 169 ? -15.624 -14.642 37.006 1.00 21.97 ? 475 PRO A CG 1 ATOM 2673 C CD . PRO A 1 169 ? -15.178 -15.988 37.458 1.00 22.83 ? 475 PRO A CD 1 ATOM 2674 H HA . PRO A 1 169 ? -12.600 -14.246 37.871 1.00 23.24 ? 475 PRO A HA 1 ATOM 2675 H HB2 . PRO A 1 169 ? -14.590 -12.870 37.055 1.00 22.18 ? 475 PRO A HB2 1 ATOM 2676 H HB3 . PRO A 1 169 ? -13.914 -13.959 36.100 1.00 22.18 ? 475 PRO A HB3 1 ATOM 2677 H HG2 . PRO A 1 169 ? -16.241 -14.253 37.646 1.00 26.37 ? 475 PRO A HG2 1 ATOM 2678 H HG3 . PRO A 1 169 ? -16.032 -14.694 36.127 1.00 26.37 ? 475 PRO A HG3 1 ATOM 2679 H HD2 . PRO A 1 169 ? -15.841 -16.382 38.046 1.00 27.40 ? 475 PRO A HD2 1 ATOM 2680 H HD3 . PRO A 1 169 ? -15.001 -16.558 36.693 1.00 27.40 ? 475 PRO A HD3 1 ATOM 2681 N N . CYS A 1 170 ? -14.386 -13.981 40.410 1.00 20.80 ? 476 CYS A N 1 ATOM 2682 C CA . CYS A 1 170 ? -14.830 -13.182 41.561 1.00 26.31 ? 476 CYS A CA 1 ATOM 2683 C C . CYS A 1 170 ? -13.878 -13.282 42.754 1.00 20.66 ? 476 CYS A C 1 ATOM 2684 O O . CYS A 1 170 ? -13.411 -14.377 43.105 1.00 19.73 ? 476 CYS A O 1 ATOM 2685 C CB . CYS A 1 170 ? -16.225 -13.631 42.028 1.00 28.03 ? 476 CYS A CB 1 ATOM 2686 S SG . CYS A 1 170 ? -17.571 -13.238 40.890 1.00 27.52 ? 476 CYS A SG 1 ATOM 2687 H H . CYS A 1 170 ? -14.545 -14.821 40.498 1.00 24.96 ? 476 CYS A H 1 ATOM 2688 H HA . CYS A 1 170 ? -14.886 -12.250 41.298 1.00 31.58 ? 476 CYS A HA 1 ATOM 2689 H HB2 . CYS A 1 170 ? -16.215 -14.594 42.148 1.00 33.63 ? 476 CYS A HB2 1 ATOM 2690 H HB3 . CYS A 1 170 ? -16.422 -13.200 42.874 1.00 33.63 ? 476 CYS A HB3 1 ATOM 2691 N N . ALA A 1 171 ? -13.624 -12.130 43.383 1.00 20.62 ? 477 ALA A N 1 ATOM 2692 C CA . ALA A 1 171 ? -12.928 -12.074 44.666 1.00 22.61 ? 477 ALA A CA 1 ATOM 2693 C C . ALA A 1 171 ? -13.718 -12.817 45.746 1.00 21.07 ? 477 ALA A C 1 ATOM 2694 O O . ALA A 1 171 ? -14.951 -12.890 45.715 1.00 20.80 ? 477 ALA A O 1 ATOM 2695 C CB . ALA A 1 171 ? -12.685 -10.618 45.091 1.00 24.06 ? 477 ALA A CB 1 ATOM 2696 H H . ALA A 1 171 ? -13.849 -11.358 43.079 1.00 24.74 ? 477 ALA A H 1 ATOM 2697 H HA . ALA A 1 171 ? -12.065 -12.507 44.576 1.00 27.13 ? 477 ALA A HA 1 ATOM 2698 H HB1 . ALA A 1 171 ? -12.223 -10.611 45.943 1.00 28.88 ? 477 ALA A HB1 1 ATOM 2699 H HB2 . ALA A 1 171 ? -12.143 -10.179 44.417 1.00 28.88 ? 477 ALA A HB2 1 ATOM 2700 H HB3 . ALA A 1 171 ? -13.540 -10.167 45.173 1.00 28.88 ? 477 ALA A HB3 1 ATOM 2701 N N . LYS A 1 172 ? -12.981 -13.394 46.692 1.00 21.84 ? 478 LYS A N 1 ATOM 2702 C CA . LYS A 1 172 ? -13.596 -14.130 47.813 1.00 26.00 ? 478 LYS A CA 1 ATOM 2703 C C . LYS A 1 172 ? -14.265 -13.165 48.790 1.00 22.45 ? 478 LYS A C 1 ATOM 2704 O O . LYS A 1 172 ? -13.654 -12.159 49.191 1.00 17.23 ? 478 LYS A O 1 ATOM 2705 C CB . LYS A 1 172 ? -12.544 -14.963 48.530 1.00 20.41 ? 478 LYS A CB 1 ATOM 2706 C CG . LYS A 1 172 ? -13.111 -16.043 49.497 1.00 24.07 ? 478 LYS A CG 1 ATOM 2707 C CD . LYS A 1 172 ? -12.037 -16.986 49.960 1.00 25.50 ? 478 LYS A CD 1 ATOM 2708 C CE . LYS A 1 172 ? -12.592 -18.233 50.636 1.00 26.12 ? 478 LYS A CE 1 ATOM 2709 N NZ . LYS A 1 172 ? -13.245 -17.910 51.945 1.00 28.58 ? 478 LYS A NZ 1 ATOM 2710 H H . LYS A 1 172 ? -12.122 -13.377 46.714 1.00 26.20 ? 478 LYS A H 1 ATOM 2711 H HA . LYS A 1 172 ? -14.275 -14.730 47.467 1.00 31.20 ? 478 LYS A HA 1 ATOM 2712 H HB2 . LYS A 1 172 ? -12.005 -15.419 47.864 1.00 24.50 ? 478 LYS A HB2 1 ATOM 2713 H HB3 . LYS A 1 172 ? -11.982 -14.369 49.051 1.00 24.50 ? 478 LYS A HB3 1 ATOM 2714 H HG2 . LYS A 1 172 ? -13.490 -15.608 50.276 1.00 28.88 ? 478 LYS A HG2 1 ATOM 2715 H HG3 . LYS A 1 172 ? -13.791 -16.560 49.037 1.00 28.88 ? 478 LYS A HG3 1 ATOM 2716 H HD2 . LYS A 1 172 ? -11.514 -17.268 49.194 1.00 30.60 ? 478 LYS A HD2 1 ATOM 2717 H HD3 . LYS A 1 172 ? -11.469 -16.527 50.599 1.00 30.60 ? 478 LYS A HD3 1 ATOM 2718 H HE2 . LYS A 1 172 ? -13.256 -18.641 50.058 1.00 31.35 ? 478 LYS A HE2 1 ATOM 2719 H HE3 . LYS A 1 172 ? -11.867 -18.855 50.804 1.00 31.35 ? 478 LYS A HE3 1 ATOM 2720 H HZ1 . LYS A 1 172 ? -13.560 -18.654 52.319 1.00 34.30 ? 478 LYS A HZ1 1 ATOM 2721 H HZ2 . LYS A 1 172 ? -12.653 -17.538 52.496 1.00 34.30 ? 478 LYS A HZ2 1 ATOM 2722 H HZ3 . LYS A 1 172 ? -13.918 -17.343 51.817 1.00 34.30 ? 478 LYS A HZ3 1 ATOM 2723 N N . PRO A 1 173 ? -15.515 -13.409 49.181 1.00 16.74 ? 479 PRO A N 1 ATOM 2724 C CA . PRO A 1 173 ? -16.148 -12.505 50.149 1.00 22.42 ? 479 PRO A CA 1 ATOM 2725 C C . PRO A 1 173 ? -15.329 -12.283 51.401 1.00 23.38 ? 479 PRO A C 1 ATOM 2726 O O . PRO A 1 173 ? -15.241 -11.133 51.877 1.00 23.62 ? 479 PRO A O 1 ATOM 2727 C CB . PRO A 1 173 ? -17.479 -13.205 50.429 1.00 26.87 ? 479 PRO A CB 1 ATOM 2728 C CG . PRO A 1 173 ? -17.763 -13.883 49.153 1.00 23.90 ? 479 PRO A CG 1 ATOM 2729 C CD . PRO A 1 173 ? -16.463 -14.418 48.707 1.00 23.41 ? 479 PRO A CD 1 ATOM 2730 H HA . PRO A 1 173 ? -16.325 -11.647 49.733 1.00 26.91 ? 479 PRO A HA 1 ATOM 2731 H HB2 . PRO A 1 173 ? -17.374 -13.846 51.150 1.00 32.24 ? 479 PRO A HB2 1 ATOM 2732 H HB3 . PRO A 1 173 ? -18.163 -12.550 50.638 1.00 32.24 ? 479 PRO A HB3 1 ATOM 2733 H HG2 . PRO A 1 173 ? -18.398 -14.601 49.299 1.00 28.68 ? 479 PRO A HG2 1 ATOM 2734 H HG3 . PRO A 1 173 ? -18.109 -13.242 48.512 1.00 28.68 ? 479 PRO A HG3 1 ATOM 2735 H HD2 . PRO A 1 173 ? -16.286 -15.274 49.128 1.00 28.10 ? 479 PRO A HD2 1 ATOM 2736 H HD3 . PRO A 1 173 ? -16.436 -14.482 47.740 1.00 28.10 ? 479 PRO A HD3 1 ATOM 2737 N N . SER A 1 174 ? -14.694 -13.331 51.940 1.00 21.34 ? 480 SER A N 1 ATOM 2738 C CA . SER A 1 174 ? -13.917 -13.137 53.162 1.00 25.33 ? 480 SER A CA 1 ATOM 2739 C C . SER A 1 174 ? -12.758 -12.194 52.913 1.00 32.74 ? 480 SER A C 1 ATOM 2740 O O . SER A 1 174 ? -12.393 -11.412 53.794 1.00 21.36 ? 480 SER A O 1 ATOM 2741 C CB . SER A 1 174 ? -13.403 -14.475 53.712 1.00 25.87 ? 480 SER A CB 1 ATOM 2742 O OG . SER A 1 174 ? -14.475 -15.320 54.092 1.00 21.47 ? 480 SER A OG 1 ATOM 2743 H H . SER A 1 174 ? -14.697 -14.133 51.630 1.00 25.60 ? 480 SER A H 1 ATOM 2744 H HA . SER A 1 174 ? -14.487 -12.737 53.836 1.00 30.40 ? 480 SER A HA 1 ATOM 2745 H HB2 . SER A 1 174 ? -12.882 -14.918 53.025 1.00 31.05 ? 480 SER A HB2 1 ATOM 2746 H HB3 . SER A 1 174 ? -12.848 -14.303 54.489 1.00 31.05 ? 480 SER A HB3 1 ATOM 2747 H HG . SER A 1 174 ? -14.177 -16.046 54.391 1.00 25.77 ? 480 SER A HG 1 ATOM 2748 N N . PHE A 1 175 ? -12.150 -12.259 51.725 1.00 23.84 ? 481 PHE A N 1 ATOM 2749 C CA . PHE A 1 175 ? -11.074 -11.328 51.424 1.00 19.79 ? 481 PHE A CA 1 ATOM 2750 C C . PHE A 1 175 ? -11.616 -9.912 51.292 1.00 26.09 ? 481 PHE A C 1 ATOM 2751 O O . PHE A 1 175 ? -11.077 -8.979 51.884 1.00 23.39 ? 481 PHE A O 1 ATOM 2752 C CB . PHE A 1 175 ? -10.338 -11.717 50.133 1.00 20.25 ? 481 PHE A CB 1 ATOM 2753 C CG . PHE A 1 175 ? -9.387 -10.648 49.679 1.00 27.38 ? 481 PHE A CG 1 ATOM 2754 C CD1 . PHE A 1 175 ? -9.806 -9.645 48.831 1.00 22.94 ? 481 PHE A CD1 1 ATOM 2755 C CD2 . PHE A 1 175 ? -8.107 -10.586 50.204 1.00 28.32 ? 481 PHE A CD2 1 ATOM 2756 C CE1 . PHE A 1 175 ? -8.956 -8.611 48.489 1.00 30.09 ? 481 PHE A CE1 1 ATOM 2757 C CE2 . PHE A 1 175 ? -7.255 -9.566 49.864 1.00 22.61 ? 481 PHE A CE2 1 ATOM 2758 C CZ . PHE A 1 175 ? -7.683 -8.571 48.997 1.00 28.81 ? 481 PHE A CZ 1 ATOM 2759 H H . PHE A 1 175 ? -12.337 -12.817 51.099 1.00 28.61 ? 481 PHE A H 1 ATOM 2760 H HA . PHE A 1 175 ? -10.433 -11.339 52.151 1.00 23.74 ? 481 PHE A HA 1 ATOM 2761 H HB2 . PHE A 1 175 ? -9.829 -12.528 50.290 1.00 24.30 ? 481 PHE A HB2 1 ATOM 2762 H HB3 . PHE A 1 175 ? -10.988 -11.863 49.428 1.00 24.30 ? 481 PHE A HB3 1 ATOM 2763 H HD1 . PHE A 1 175 ? -10.674 -9.658 48.495 1.00 27.52 ? 481 PHE A HD1 1 ATOM 2764 H HD2 . PHE A 1 175 ? -7.821 -11.243 50.797 1.00 33.98 ? 481 PHE A HD2 1 ATOM 2765 H HE1 . PHE A 1 175 ? -9.242 -7.952 47.899 1.00 36.11 ? 481 PHE A HE1 1 ATOM 2766 H HE2 . PHE A 1 175 ? -6.390 -9.546 50.206 1.00 27.13 ? 481 PHE A HE2 1 ATOM 2767 H HZ . PHE A 1 175 ? -7.102 -7.889 48.747 1.00 34.57 ? 481 PHE A HZ 1 ATOM 2768 N N . ALA A 1 176 ? -12.674 -9.730 50.495 1.00 21.89 ? 482 ALA A N 1 ATOM 2769 C CA . ALA A 1 176 ? -13.145 -8.386 50.188 1.00 25.65 ? 482 ALA A CA 1 ATOM 2770 C C . ALA A 1 176 ? -13.625 -7.661 51.433 1.00 26.73 ? 482 ALA A C 1 ATOM 2771 O O . ALA A 1 176 ? -13.545 -6.431 51.508 1.00 25.49 ? 482 ALA A O 1 ATOM 2772 C CB . ALA A 1 176 ? -14.276 -8.438 49.169 1.00 21.77 ? 482 ALA A CB 1 ATOM 2773 H H . ALA A 1 176 ? -13.127 -10.362 50.127 1.00 26.27 ? 482 ALA A H 1 ATOM 2774 H HA . ALA A 1 176 ? -12.416 -7.875 49.803 1.00 30.78 ? 482 ALA A HA 1 ATOM 2775 H HB1 . ALA A 1 176 ? -14.572 -7.533 48.981 1.00 26.13 ? 482 ALA A HB1 1 ATOM 2776 H HB2 . ALA A 1 176 ? -13.950 -8.855 48.357 1.00 26.13 ? 482 ALA A HB2 1 ATOM 2777 H HB3 . ALA A 1 176 ? -15.008 -8.956 49.538 1.00 26.13 ? 482 ALA A HB3 1 ATOM 2778 N N . SER A 1 177 ? -14.113 -8.401 52.417 1.00 27.16 ? 483 SER A N 1 ATOM 2779 C CA . SER A 1 177 ? -14.830 -7.779 53.520 1.00 28.57 ? 483 SER A CA 1 ATOM 2780 C C . SER A 1 177 ? -13.941 -6.854 54.336 1.00 33.18 ? 483 SER A C 1 ATOM 2781 O O . SER A 1 177 ? -14.449 -5.944 54.992 1.00 31.32 ? 483 SER A O 1 ATOM 2782 C CB . SER A 1 177 ? -15.427 -8.849 54.429 1.00 31.77 ? 483 SER A CB 1 ATOM 2783 O OG . SER A 1 177 ? -14.405 -9.447 55.213 1.00 38.39 ? 483 SER A OG 1 ATOM 2784 H H . SER A 1 177 ? -14.043 -9.257 52.471 1.00 32.59 ? 483 SER A H 1 ATOM 2785 H HA . SER A 1 177 ? -15.561 -7.251 53.162 1.00 34.29 ? 483 SER A HA 1 ATOM 2786 H HB2 . SER A 1 177 ? -16.080 -8.439 55.017 1.00 38.12 ? 483 SER A HB2 1 ATOM 2787 H HB3 . SER A 1 177 ? -15.849 -9.531 53.884 1.00 38.12 ? 483 SER A HB3 1 ATOM 2788 H HG . SER A 1 177 ? -13.831 -9.803 54.714 1.00 46.07 ? 483 SER A HG 1 ATOM 2789 N N . SER A 1 178 ? -12.633 -7.084 54.360 1.00 26.89 ? 484 SER A N 1 ATOM 2790 C CA . SER A 1 178 ? -11.766 -6.218 55.143 1.00 28.47 ? 484 SER A CA 1 ATOM 2791 C C . SER A 1 178 ? -11.116 -5.106 54.314 1.00 31.08 ? 484 SER A C 1 ATOM 2792 O O . SER A 1 178 ? -10.387 -4.283 54.876 1.00 27.58 ? 484 SER A O 1 ATOM 2793 C CB . SER A 1 178 ? -10.690 -7.048 55.860 1.00 40.43 ? 484 SER A CB 1 ATOM 2794 O OG . SER A 1 178 ? -9.767 -7.581 54.946 1.00 38.21 ? 484 SER A OG 1 ATOM 2795 H H . SER A 1 178 ? -12.232 -7.719 53.941 1.00 32.27 ? 484 SER A H 1 ATOM 2796 H HA . SER A 1 178 ? -12.303 -5.790 55.827 1.00 34.17 ? 484 SER A HA 1 ATOM 2797 H HB2 . SER A 1 178 ? -10.219 -6.477 56.487 1.00 48.51 ? 484 SER A HB2 1 ATOM 2798 H HB3 . SER A 1 178 ? -11.120 -7.777 56.335 1.00 48.51 ? 484 SER A HB3 1 ATOM 2799 H HG . SER A 1 178 ? -9.187 -8.031 55.353 1.00 45.86 ? 484 SER A HG 1 ATOM 2800 N N . CYS A 1 179 ? -11.408 -5.012 53.014 1.00 22.83 ? 485 CYS A N 1 ATOM 2801 C CA . CYS A 1 179 ? -10.835 -3.944 52.188 1.00 20.79 ? 485 CYS A CA 1 ATOM 2802 C C . CYS A 1 179 ? -11.445 -2.588 52.511 1.00 19.77 ? 485 CYS A C 1 ATOM 2803 O O . CYS A 1 179 ? -12.658 -2.461 52.684 1.00 26.34 ? 485 CYS A O 1 ATOM 2804 C CB . CYS A 1 179 ? -11.074 -4.230 50.704 1.00 24.04 ? 485 CYS A CB 1 ATOM 2805 S SG . CYS A 1 179 ? -10.253 -5.722 50.186 1.00 25.96 ? 485 CYS A SG 1 ATOM 2806 H H . CYS A 1 179 ? -11.929 -5.548 52.590 1.00 27.40 ? 485 CYS A H 1 ATOM 2807 H HA . CYS A 1 179 ? -9.879 -3.895 52.341 1.00 24.94 ? 485 CYS A HA 1 ATOM 2808 H HB2 . CYS A 1 179 ? -12.025 -4.336 50.547 1.00 28.85 ? 485 CYS A HB2 1 ATOM 2809 H HB3 . CYS A 1 179 ? -10.727 -3.493 50.176 1.00 28.85 ? 485 CYS A HB3 1 ATOM 2810 N N . LYS A 1 180 ? -10.600 -1.562 52.541 1.00 22.74 ? 486 LYS A N 1 ATOM 2811 C CA . LYS A 1 180 ? -11.069 -0.200 52.722 1.00 22.18 ? 486 LYS A CA 1 ATOM 2812 C C . LYS A 1 180 ? -10.773 0.709 51.535 1.00 21.79 ? 486 LYS A C 1 ATOM 2813 O O . LYS A 1 180 ? -11.461 1.721 51.366 1.00 27.64 ? 486 LYS A O 1 ATOM 2814 C CB . LYS A 1 180 ? -10.438 0.413 53.978 1.00 23.27 ? 486 LYS A CB 1 ATOM 2815 C CG . LYS A 1 180 ? -10.910 -0.222 55.287 1.00 32.87 ? 486 LYS A CG 1 ATOM 2816 C CD . LYS A 1 180 ? -10.106 0.265 56.518 1.00 39.43 ? 486 LYS A CD 1 ATOM 2817 C CE . LYS A 1 180 ? -10.534 1.635 57.001 1.00 60.03 ? 486 LYS A CE 1 ATOM 2818 N NZ . LYS A 1 180 ? -9.726 2.081 58.197 1.00 56.27 ? 486 LYS A NZ 1 ATOM 2819 H H . LYS A 1 180 ? -9.747 -1.632 52.459 1.00 27.29 ? 486 LYS A H 1 ATOM 2820 H HA . LYS A 1 180 ? -12.030 -0.216 52.850 1.00 26.62 ? 486 LYS A HA 1 ATOM 2821 H HB2 . LYS A 1 180 ? -9.475 0.305 53.928 1.00 27.92 ? 486 LYS A HB2 1 ATOM 2822 H HB3 . LYS A 1 180 ? -10.661 1.357 54.010 1.00 27.92 ? 486 LYS A HB3 1 ATOM 2823 H HG2 . LYS A 1 180 ? -11.842 0.005 55.430 1.00 39.44 ? 486 LYS A HG2 1 ATOM 2824 H HG3 . LYS A 1 180 ? -10.809 -1.184 55.226 1.00 39.44 ? 486 LYS A HG3 1 ATOM 2825 H HD2 . LYS A 1 180 ? -10.234 -0.362 57.246 1.00 47.32 ? 486 LYS A HD2 1 ATOM 2826 H HD3 . LYS A 1 180 ? -9.166 0.311 56.282 1.00 47.32 ? 486 LYS A HD3 1 ATOM 2827 H HE2 . LYS A 1 180 ? -10.403 2.280 56.288 1.00 72.04 ? 486 LYS A HE2 1 ATOM 2828 H HE3 . LYS A 1 180 ? -11.468 1.605 57.259 1.00 72.04 ? 486 LYS A HE3 1 ATOM 2829 H HZ1 . LYS A 1 180 ? -9.995 2.887 58.462 1.00 67.53 ? 486 LYS A HZ1 1 ATOM 2830 H HZ2 . LYS A 1 180 ? -9.832 1.505 58.867 1.00 67.53 ? 486 LYS A HZ2 1 ATOM 2831 H HZ3 . LYS A 1 180 ? -8.863 2.120 57.983 1.00 67.53 ? 486 LYS A HZ3 1 ATOM 2832 N N . SER A 1 181 ? -9.732 0.431 50.767 1.00 18.26 ? 487 SER A N 1 ATOM 2833 C CA . SER A 1 181 ? -9.481 1.128 49.513 1.00 19.53 ? 487 SER A CA 1 ATOM 2834 C C . SER A 1 181 ? -9.548 0.135 48.371 1.00 25.16 ? 487 SER A C 1 ATOM 2835 O O . SER A 1 181 ? -8.844 -0.880 48.379 1.00 19.58 ? 487 SER A O 1 ATOM 2836 C CB . SER A 1 181 ? -8.140 1.836 49.559 1.00 19.98 ? 487 SER A CB 1 ATOM 2837 O OG . SER A 1 181 ? -8.182 2.698 50.702 1.00 23.50 ? 487 SER A OG 1 ATOM 2838 H H . SER A 1 181 ? -9.145 -0.170 50.953 1.00 21.91 ? 487 SER A H 1 ATOM 2839 H HA . SER A 1 181 ? -10.171 1.795 49.375 1.00 23.43 ? 487 SER A HA 1 ATOM 2840 H HB2 . SER A 1 181 ? -7.427 1.186 49.662 1.00 23.98 ? 487 SER A HB2 1 ATOM 2841 H HB3 . SER A 1 181 ? -8.016 2.361 48.753 1.00 23.98 ? 487 SER A HB3 1 ATOM 2842 H HG . SER A 1 181 ? -7.456 3.116 50.773 1.00 28.20 ? 487 SER A HG 1 ATOM 2843 N N . HIS A 1 182 ? -10.424 0.414 47.415 1.00 17.70 ? 488 HIS A N 1 ATOM 2844 C CA . HIS A 1 182 ? -10.558 -0.392 46.190 1.00 21.08 ? 488 HIS A CA 1 ATOM 2845 C C . HIS A 1 182 ? -11.066 -1.792 46.516 1.00 28.75 ? 488 HIS A C 1 ATOM 2846 O O . HIS A 1 182 ? -10.597 -2.797 45.971 1.00 21.88 ? 488 HIS A O 1 ATOM 2847 C CB . HIS A 1 182 ? -9.243 -0.449 45.407 1.00 22.02 ? 488 HIS A CB 1 ATOM 2848 C CG . HIS A 1 182 ? -8.982 0.768 44.587 1.00 26.78 ? 488 HIS A CG 1 ATOM 2849 N ND1 . HIS A 1 182 ? -9.755 1.106 43.498 1.00 24.89 ? 488 HIS A ND1 1 ATOM 2850 C CD2 . HIS A 1 182 ? -8.054 1.746 44.706 1.00 23.22 ? 488 HIS A CD2 1 ATOM 2851 C CE1 . HIS A 1 182 ? -9.306 2.227 42.968 1.00 24.44 ? 488 HIS A CE1 1 ATOM 2852 N NE2 . HIS A 1 182 ? -8.262 2.624 43.668 1.00 23.40 ? 488 HIS A NE2 1 ATOM 2853 H H . HIS A 1 182 ? -10.969 1.079 47.446 1.00 21.24 ? 488 HIS A H 1 ATOM 2854 H HA . HIS A 1 182 ? -11.217 0.030 45.617 1.00 25.30 ? 488 HIS A HA 1 ATOM 2855 H HB2 . HIS A 1 182 ? -8.510 -0.548 46.034 1.00 26.43 ? 488 HIS A HB2 1 ATOM 2856 H HB3 . HIS A 1 182 ? -9.269 -1.212 44.808 1.00 26.43 ? 488 HIS A HB3 1 ATOM 2857 H HD2 . HIS A 1 182 ? -7.379 1.794 45.345 1.00 27.86 ? 488 HIS A HD2 1 ATOM 2858 H HE1 . HIS A 1 182 ? -9.655 2.654 42.220 1.00 29.33 ? 488 HIS A HE1 1 ATOM 2859 H HE2 . HIS A 1 182 ? -7.807 3.339 43.521 1.00 28.08 ? 488 HIS A HE2 1 ATOM 2860 N N . LYS A 1 183 ? -12.050 -1.858 47.390 1.00 23.95 ? 489 LYS A N 1 ATOM 2861 C CA . LYS A 1 183 ? -12.692 -3.127 47.656 1.00 22.71 ? 489 LYS A CA 1 ATOM 2862 C C . LYS A 1 183 ? -13.177 -3.729 46.333 1.00 22.90 ? 489 LYS A C 1 ATOM 2863 O O . LYS A 1 183 ? -13.834 -3.026 45.544 1.00 22.03 ? 489 LYS A O 1 ATOM 2864 C CB . LYS A 1 183 ? -13.868 -2.934 48.614 1.00 27.01 ? 489 LYS A CB 1 ATOM 2865 C CG . LYS A 1 183 ? -14.604 -4.198 48.945 1.00 26.16 ? 489 LYS A CG 1 ATOM 2866 C CD . LYS A 1 183 ? -15.987 -3.909 49.571 1.00 28.84 ? 489 LYS A CD 1 ATOM 2867 C CE . LYS A 1 183 ? -15.910 -3.230 50.919 1.00 41.14 ? 489 LYS A CE 1 ATOM 2868 N NZ . LYS A 1 183 ? -15.361 -4.090 51.985 1.00 46.18 ? 489 LYS A NZ 1 ATOM 2869 H H . LYS A 1 183 ? -12.362 -1.193 47.837 1.00 28.74 ? 489 LYS A H 1 ATOM 2870 H HA . LYS A 1 183 ? -12.057 -3.737 48.062 1.00 27.25 ? 489 LYS A HA 1 ATOM 2871 H HB2 . LYS A 1 183 ? -13.535 -2.560 49.445 1.00 32.41 ? 489 LYS A HB2 1 ATOM 2872 H HB3 . LYS A 1 183 ? -14.502 -2.321 48.210 1.00 32.41 ? 489 LYS A HB3 1 ATOM 2873 H HG2 . LYS A 1 183 ? -14.740 -4.711 48.133 1.00 31.40 ? 489 LYS A HG2 1 ATOM 2874 H HG3 . LYS A 1 183 ? -14.085 -4.713 49.583 1.00 31.40 ? 489 LYS A HG3 1 ATOM 2875 H HD2 . LYS A 1 183 ? -16.487 -3.330 48.974 1.00 34.61 ? 489 LYS A HD2 1 ATOM 2876 H HD3 . LYS A 1 183 ? -16.460 -4.748 49.687 1.00 34.61 ? 489 LYS A HD3 1 ATOM 2877 H HE2 . LYS A 1 183 ? -15.339 -2.449 50.844 1.00 49.37 ? 489 LYS A HE2 1 ATOM 2878 H HE3 . LYS A 1 183 ? -16.803 -2.960 51.185 1.00 49.37 ? 489 LYS A HE3 1 ATOM 2879 H HZ1 . LYS A 1 183 ? -15.338 -3.643 52.755 1.00 55.42 ? 489 LYS A HZ1 1 ATOM 2880 H HZ2 . LYS A 1 183 ? -15.871 -4.812 52.086 1.00 55.42 ? 489 LYS A HZ2 1 ATOM 2881 H HZ3 . LYS A 1 183 ? -14.535 -4.346 51.774 1.00 55.42 ? 489 LYS A HZ3 1 ATOM 2882 N N . PRO A 1 184 ? -12.869 -4.998 46.045 1.00 22.01 ? 490 PRO A N 1 ATOM 2883 C CA . PRO A 1 184 ? -13.372 -5.613 44.820 1.00 20.97 ? 490 PRO A CA 1 ATOM 2884 C C . PRO A 1 184 ? -14.760 -6.155 45.062 1.00 22.88 ? 490 PRO A C 1 ATOM 2885 O O . PRO A 1 184 ? -15.133 -6.405 46.215 1.00 20.98 ? 490 PRO A O 1 ATOM 2886 C CB . PRO A 1 184 ? -12.375 -6.746 44.543 1.00 22.05 ? 490 PRO A CB 1 ATOM 2887 C CG . PRO A 1 184 ? -11.932 -7.188 45.944 1.00 20.10 ? 490 PRO A CG 1 ATOM 2888 C CD . PRO A 1 184 ? -11.955 -5.888 46.778 1.00 20.87 ? 490 PRO A CD 1 ATOM 2889 H HA . PRO A 1 184 ? -13.378 -4.981 44.084 1.00 25.17 ? 490 PRO A HA 1 ATOM 2890 H HB2 . PRO A 1 184 ? -12.819 -7.470 44.075 1.00 26.46 ? 490 PRO A HB2 1 ATOM 2891 H HB3 . PRO A 1 184 ? -11.624 -6.408 44.031 1.00 26.46 ? 490 PRO A HB3 1 ATOM 2892 H HG2 . PRO A 1 184 ? -12.559 -7.838 46.298 1.00 24.11 ? 490 PRO A HG2 1 ATOM 2893 H HG3 . PRO A 1 184 ? -11.036 -7.557 45.904 1.00 24.11 ? 490 PRO A HG3 1 ATOM 2894 H HD2 . PRO A 1 184 ? -12.302 -6.066 47.666 1.00 25.04 ? 490 PRO A HD2 1 ATOM 2895 H HD3 . PRO A 1 184 ? -11.068 -5.499 46.817 1.00 25.04 ? 490 PRO A HD3 1 ATOM 2896 N N . PRO A 1 185 ? -15.559 -6.309 44.021 1.00 21.29 ? 491 PRO A N 1 ATOM 2897 C CA . PRO A 1 185 ? -16.798 -7.059 44.161 1.00 18.93 ? 491 PRO A CA 1 ATOM 2898 C C . PRO A 1 185 ? -16.484 -8.532 44.394 1.00 21.00 ? 491 PRO A C 1 ATOM 2899 O O . PRO A 1 185 ? -15.426 -9.036 44.007 1.00 19.40 ? 491 PRO A O 1 ATOM 2900 C CB . PRO A 1 185 ? -17.494 -6.823 42.823 1.00 22.87 ? 491 PRO A CB 1 ATOM 2901 C CG . PRO A 1 185 ? -16.351 -6.608 41.883 1.00 23.66 ? 491 PRO A CG 1 ATOM 2902 C CD . PRO A 1 185 ? -15.339 -5.866 42.631 1.00 28.23 ? 491 PRO A CD 1 ATOM 2903 H HA . PRO A 1 185 ? -17.339 -6.710 44.887 1.00 22.72 ? 491 PRO A HA 1 ATOM 2904 H HB2 . PRO A 1 185 ? -18.010 -7.605 42.573 1.00 27.44 ? 491 PRO A HB2 1 ATOM 2905 H HB3 . PRO A 1 185 ? -18.056 -6.034 42.875 1.00 27.44 ? 491 PRO A HB3 1 ATOM 2906 H HG2 . PRO A 1 185 ? -16.001 -7.467 41.598 1.00 28.39 ? 491 PRO A HG2 1 ATOM 2907 H HG3 . PRO A 1 185 ? -16.653 -6.094 41.118 1.00 28.39 ? 491 PRO A HG3 1 ATOM 2908 H HD2 . PRO A 1 185 ? -14.449 -6.111 42.334 1.00 33.88 ? 491 PRO A HD2 1 ATOM 2909 H HD3 . PRO A 1 185 ? -15.491 -4.911 42.552 1.00 33.88 ? 491 PRO A HD3 1 ATOM 2910 N N . SER A 1 186 ? -17.410 -9.221 45.052 1.00 21.15 ? 492 SER A N 1 ATOM 2911 C CA . SER A 1 186 ? -17.144 -10.572 45.533 1.00 22.19 ? 492 SER A CA 1 ATOM 2912 C C . SER A 1 186 ? -18.416 -11.394 45.442 1.00 19.77 ? 492 SER A C 1 ATOM 2913 O O . SER A 1 186 ? -19.513 -10.864 45.277 1.00 21.60 ? 492 SER A O 1 ATOM 2914 C CB . SER A 1 186 ? -16.613 -10.555 46.982 1.00 18.95 ? 492 SER A CB 1 ATOM 2915 O OG . SER A 1 186 ? -17.433 -9.743 47.806 1.00 21.49 ? 492 SER A OG 1 ATOM 2916 H H . SER A 1 186 ? -18.199 -8.930 45.232 1.00 25.38 ? 492 SER A H 1 ATOM 2917 H HA . SER A 1 186 ? -16.473 -10.987 44.969 1.00 26.63 ? 492 SER A HA 1 ATOM 2918 H HB2 . SER A 1 186 ? -16.613 -11.460 47.329 1.00 22.74 ? 492 SER A HB2 1 ATOM 2919 H HB3 . SER A 1 186 ? -15.711 -10.198 46.984 1.00 22.74 ? 492 SER A HB3 1 ATOM 2920 H HG . SER A 1 186 ? -18.219 -10.040 47.812 1.00 25.79 ? 492 SER A HG 1 ATOM 2921 N N . ALA A 1 187 ? -18.248 -12.708 45.541 1.00 23.82 ? 493 ALA A N 1 ATOM 2922 C CA . ALA A 1 187 ? -19.355 -13.652 45.467 1.00 22.69 ? 493 ALA A CA 1 ATOM 2923 C C . ALA A 1 187 ? -18.743 -15.019 45.699 1.00 15.52 ? 493 ALA A C 1 ATOM 2924 O O . ALA A 1 187 ? -17.519 -15.165 45.701 1.00 23.97 ? 493 ALA A O 1 ATOM 2925 C CB . ALA A 1 187 ? -20.072 -13.588 44.116 1.00 27.18 ? 493 ALA A CB 1 ATOM 2926 H H . ALA A 1 187 ? -17.483 -13.085 45.654 1.00 28.58 ? 493 ALA A H 1 ATOM 2927 H HA . ALA A 1 187 ? -19.995 -13.468 46.173 1.00 27.23 ? 493 ALA A HA 1 ATOM 2928 H HB1 . ALA A 1 187 ? -20.798 -14.230 44.113 1.00 32.62 ? 493 ALA A HB1 1 ATOM 2929 H HB2 . ALA A 1 187 ? -20.422 -12.692 43.986 1.00 32.62 ? 493 ALA A HB2 1 ATOM 2930 H HB3 . ALA A 1 187 ? -19.439 -13.801 43.412 1.00 32.62 ? 493 ALA A HB3 1 ATOM 2931 N N . SER A 1 188 ? -19.582 -16.029 45.868 1.00 21.46 ? 494 SER A N 1 ATOM 2932 C CA . SER A 1 188 ? -19.031 -17.364 46.002 1.00 24.32 ? 494 SER A CA 1 ATOM 2933 C C . SER A 1 188 ? -18.690 -17.907 44.623 1.00 20.70 ? 494 SER A C 1 ATOM 2934 O O . SER A 1 188 ? -19.377 -17.630 43.641 1.00 23.16 ? 494 SER A O 1 ATOM 2935 C CB . SER A 1 188 ? -19.992 -18.327 46.715 1.00 24.87 ? 494 SER A CB 1 ATOM 2936 O OG . SER A 1 188 ? -21.126 -18.596 45.931 1.00 36.30 ? 494 SER A OG 1 ATOM 2937 H H . SER A 1 188 ? -20.440 -15.973 45.907 1.00 25.75 ? 494 SER A H 1 ATOM 2938 H HA . SER A 1 188 ? -18.211 -17.318 46.519 1.00 29.18 ? 494 SER A HA 1 ATOM 2939 H HB2 . SER A 1 188 ? -19.527 -19.160 46.891 1.00 29.85 ? 494 SER A HB2 1 ATOM 2940 H HB3 . SER A 1 188 ? -20.276 -17.925 47.551 1.00 29.85 ? 494 SER A HB3 1 ATOM 2941 H HG . SER A 1 188 ? -21.541 -17.883 45.772 1.00 43.56 ? 494 SER A HG 1 ATOM 2942 N N . CYS A 1 189 ? -17.617 -18.643 44.559 1.00 22.35 ? 495 CYS A N 1 ATOM 2943 C CA . CYS A 1 189 ? -17.176 -19.289 43.331 1.00 22.43 ? 495 CYS A CA 1 ATOM 2944 C C . CYS A 1 189 ? -17.656 -20.725 43.323 1.00 26.79 ? 495 CYS A C 1 ATOM 2945 O O . CYS A 1 189 ? -17.950 -21.281 44.377 1.00 27.31 ? 495 CYS A O 1 ATOM 2946 C CB . CYS A 1 189 ? -15.646 -19.221 43.238 1.00 19.26 ? 495 CYS A CB 1 ATOM 2947 S SG . CYS A 1 189 ? -15.074 -17.545 42.723 1.00 24.36 ? 495 CYS A SG 1 ATOM 2948 H H . CYS A 1 189 ? -17.102 -18.796 45.230 1.00 26.82 ? 495 CYS A H 1 ATOM 2949 H HA . CYS A 1 189 ? -17.555 -18.829 42.565 1.00 26.91 ? 495 CYS A HA 1 ATOM 2950 H HB2 . CYS A 1 189 ? -15.264 -19.419 44.108 1.00 23.12 ? 495 CYS A HB2 1 ATOM 2951 H HB3 . CYS A 1 189 ? -15.337 -19.863 42.581 1.00 23.12 ? 495 CYS A HB3 1 ATOM 2952 N N . PRO A 1 190 ? -17.812 -21.354 42.168 1.00 28.71 ? 496 PRO A N 1 ATOM 2953 C CA . PRO A 1 190 ? -18.264 -22.757 42.171 1.00 27.02 ? 496 PRO A CA 1 ATOM 2954 C C . PRO A 1 190 ? -17.279 -23.678 42.868 1.00 32.27 ? 496 PRO A C 1 ATOM 2955 O O . PRO A 1 190 ? -16.066 -23.455 42.858 1.00 24.68 ? 496 PRO A O 1 ATOM 2956 C CB . PRO A 1 190 ? -18.384 -23.092 40.680 1.00 32.92 ? 496 PRO A CB 1 ATOM 2957 C CG . PRO A 1 190 ? -18.637 -21.754 40.014 1.00 29.66 ? 496 PRO A CG 1 ATOM 2958 C CD . PRO A 1 190 ? -17.793 -20.788 40.803 1.00 23.73 ? 496 PRO A CD 1 ATOM 2959 H HA . PRO A 1 190 ? -19.135 -22.833 42.592 1.00 32.42 ? 496 PRO A HA 1 ATOM 2960 H HB2 . PRO A 1 190 ? -17.555 -23.484 40.363 1.00 39.50 ? 496 PRO A HB2 1 ATOM 2961 H HB3 . PRO A 1 190 ? -19.130 -23.696 40.537 1.00 39.50 ? 496 PRO A HB3 1 ATOM 2962 H HG2 . PRO A 1 190 ? -18.352 -21.787 39.088 1.00 35.59 ? 496 PRO A HG2 1 ATOM 2963 H HG3 . PRO A 1 190 ? -19.578 -21.525 40.080 1.00 35.59 ? 496 PRO A HG3 1 ATOM 2964 H HD2 . PRO A 1 190 ? -16.887 -20.770 40.457 1.00 28.47 ? 496 PRO A HD2 1 ATOM 2965 H HD3 . PRO A 1 190 ? -18.194 -19.905 40.797 1.00 28.47 ? 496 PRO A HD3 1 ATOM 2966 N N . ILE A 1 191 ? -17.818 -24.745 43.474 1.00 31.68 ? 497 ILE A N 1 ATOM 2967 C CA . ILE A 1 191 ? -16.957 -25.720 44.119 1.00 28.88 ? 497 ILE A CA 1 ATOM 2968 C C . ILE A 1 191 ? -15.976 -26.243 43.095 1.00 23.60 ? 497 ILE A C 1 ATOM 2969 O O . ILE A 1 191 ? -16.350 -26.591 41.972 1.00 25.39 ? 497 ILE A O 1 ATOM 2970 C CB . ILE A 1 191 ? -17.757 -26.894 44.713 1.00 43.86 ? 497 ILE A CB 1 ATOM 2971 C CG1 . ILE A 1 191 ? -18.947 -26.428 45.569 1.00 48.87 ? 497 ILE A CG1 1 ATOM 2972 C CG2 . ILE A 1 191 ? -16.832 -27.757 45.524 1.00 45.04 ? 497 ILE A CG2 1 ATOM 2973 C CD1 . ILE A 1 191 ? -18.612 -26.084 46.946 1.00 54.38 ? 497 ILE A CD1 1 ATOM 2974 H H . ILE A 1 191 ? -18.659 -24.917 43.520 1.00 38.02 ? 497 ILE A H 1 ATOM 2975 H HA . ILE A 1 191 ? -16.460 -25.292 44.834 1.00 34.65 ? 497 ILE A HA 1 ATOM 2976 H HB . ILE A 1 191 ? -18.103 -27.427 43.980 1.00 52.63 ? 497 ILE A HB 1 ATOM 2977 H HG12 . ILE A 1 191 ? -19.335 -25.641 45.156 1.00 58.65 ? 497 ILE A HG12 1 ATOM 2978 H HG13 . ILE A 1 191 ? -19.606 -27.140 45.596 1.00 58.65 ? 497 ILE A HG13 1 ATOM 2979 H HG21 . ILE A 1 191 ? -17.337 -28.496 45.898 1.00 54.05 ? 497 ILE A HG21 1 ATOM 2980 H HG22 . ILE A 1 191 ? -16.129 -28.094 44.947 1.00 54.05 ? 497 ILE A HG22 1 ATOM 2981 H HG23 . ILE A 1 191 ? -16.448 -27.223 46.238 1.00 54.05 ? 497 ILE A HG23 1 ATOM 2982 H HD11 . ILE A 1 191 ? -19.419 -25.803 47.406 1.00 65.26 ? 497 ILE A HD11 1 ATOM 2983 H HD12 . ILE A 1 191 ? -18.236 -26.863 47.384 1.00 65.26 ? 497 ILE A HD12 1 ATOM 2984 H HD13 . ILE A 1 191 ? -17.965 -25.361 46.942 1.00 65.26 ? 497 ILE A HD13 1 ATOM 2985 N N . GLY A 1 192 ? -14.714 -26.331 43.480 1.00 27.54 ? 498 GLY A N 1 ATOM 2986 C CA . GLY A 1 192 ? -13.712 -26.778 42.532 1.00 36.44 ? 498 GLY A CA 1 ATOM 2987 C C . GLY A 1 192 ? -13.065 -25.676 41.709 1.00 28.40 ? 498 GLY A C 1 ATOM 2988 O O . GLY A 1 192 ? -12.245 -25.978 40.837 1.00 30.98 ? 498 GLY A O 1 ATOM 2989 H H . GLY A 1 192 ? -14.417 -26.143 44.265 1.00 33.05 ? 498 GLY A H 1 ATOM 2990 H HA2 . GLY A 1 192 ? -13.010 -27.242 43.014 1.00 43.73 ? 498 GLY A HA2 1 ATOM 2991 H HA3 . GLY A 1 192 ? -14.121 -27.407 41.918 1.00 43.73 ? 498 GLY A HA3 1 ATOM 2992 N N . THR A 1 193 ? -13.418 -24.419 41.938 1.00 28.79 ? 499 THR A N 1 ATOM 2993 C CA . THR A 1 193 ? -12.763 -23.289 41.295 1.00 30.79 ? 499 THR A CA 1 ATOM 2994 C C . THR A 1 193 ? -12.017 -22.503 42.362 1.00 32.04 ? 499 THR A C 1 ATOM 2995 O O . THR A 1 193 ? -12.264 -22.662 43.559 1.00 24.27 ? 499 THR A O 1 ATOM 2996 C CB . THR A 1 193 ? -13.775 -22.387 40.558 1.00 26.46 ? 499 THR A CB 1 ATOM 2997 O OG1 . THR A 1 193 ? -14.642 -21.747 41.493 1.00 24.46 ? 499 THR A OG1 1 ATOM 2998 C CG2 . THR A 1 193 ? -14.644 -23.187 39.562 1.00 26.73 ? 499 THR A CG2 1 ATOM 2999 H H . THR A 1 193 ? -14.050 -24.189 42.474 1.00 34.55 ? 499 THR A H 1 ATOM 3000 H HA . THR A 1 193 ? -12.118 -23.616 40.648 1.00 36.95 ? 499 THR A HA 1 ATOM 3001 H HB . THR A 1 193 ? -13.291 -21.710 40.060 1.00 31.75 ? 499 THR A HB 1 ATOM 3002 H HG1 . THR A 1 193 ? -15.066 -22.324 41.933 1.00 29.35 ? 499 THR A HG1 1 ATOM 3003 H HG21 . THR A 1 193 ? -15.268 -22.593 39.116 1.00 32.07 ? 499 THR A HG21 1 ATOM 3004 H HG22 . THR A 1 193 ? -14.080 -23.610 38.896 1.00 32.07 ? 499 THR A HG22 1 ATOM 3005 H HG23 . THR A 1 193 ? -15.143 -23.872 40.034 1.00 32.07 ? 499 THR A HG23 1 ATOM 3006 N N . ASN A 1 194 ? -11.044 -21.715 41.924 1.00 26.84 ? 500 ASN A N 1 ATOM 3007 C CA . ASN A 1 194 ? -10.236 -20.898 42.815 1.00 25.74 ? 500 ASN A CA 1 ATOM 3008 C C . ASN A 1 194 ? -10.737 -19.467 42.731 1.00 22.88 ? 500 ASN A C 1 ATOM 3009 O O . ASN A 1 194 ? -10.991 -18.956 41.636 1.00 21.54 ? 500 ASN A O 1 ATOM 3010 C CB . ASN A 1 194 ? -8.755 -20.919 42.434 1.00 20.97 ? 500 ASN A CB 1 ATOM 3011 C CG . ASN A 1 194 ? -8.156 -22.300 42.426 1.00 36.19 ? 500 ASN A CG 1 ATOM 3012 O OD1 . ASN A 1 194 ? -7.378 -22.636 41.545 1.00 42.61 ? 500 ASN A OD1 1 ATOM 3013 N ND2 . ASN A 1 194 ? -8.494 -23.091 43.411 1.00 35.65 ? 500 ASN A ND2 1 ATOM 3014 H H . ASN A 1 194 ? -10.829 -21.636 41.095 1.00 32.21 ? 500 ASN A H 1 ATOM 3015 H HA . ASN A 1 194 ? -10.331 -21.212 43.728 1.00 30.88 ? 500 ASN A HA 1 ATOM 3016 H HB2 . ASN A 1 194 ? -8.655 -20.547 41.544 1.00 25.16 ? 500 ASN A HB2 1 ATOM 3017 H HB3 . ASN A 1 194 ? -8.259 -20.384 43.073 1.00 25.16 ? 500 ASN A HB3 1 ATOM 3018 H HD21 . ASN A 1 194 ? -8.177 -23.889 43.449 1.00 42.78 ? 500 ASN A HD21 1 ATOM 3019 H HD22 . ASN A 1 194 ? -9.032 -22.812 44.021 1.00 42.78 ? 500 ASN A HD22 1 ATOM 3020 N N . TYR A 1 195 ? -10.882 -18.829 43.884 1.00 23.33 ? 501 TYR A N 1 ATOM 3021 C CA . TYR A 1 195 ? -11.248 -17.431 43.909 1.00 19.85 ? 501 TYR A CA 1 ATOM 3022 C C . TYR A 1 195 ? -10.195 -16.592 43.207 1.00 21.38 ? 501 TYR A C 1 ATOM 3023 O O . TYR A 1 195 ? -9.013 -16.951 43.134 1.00 23.95 ? 501 TYR A O 1 ATOM 3024 C CB . TYR A 1 195 ? -11.426 -16.944 45.350 1.00 20.14 ? 501 TYR A CB 1 ATOM 3025 C CG . TYR A 1 195 ? -12.713 -17.446 45.929 1.00 23.28 ? 501 TYR A CG 1 ATOM 3026 C CD1 . TYR A 1 195 ? -13.878 -16.768 45.681 1.00 19.29 ? 501 TYR A CD1 1 ATOM 3027 C CD2 . TYR A 1 195 ? -12.779 -18.625 46.662 1.00 22.75 ? 501 TYR A CD2 1 ATOM 3028 C CE1 . TYR A 1 195 ? -15.072 -17.203 46.171 1.00 21.17 ? 501 TYR A CE1 1 ATOM 3029 C CE2 . TYR A 1 195 ? -13.992 -19.077 47.155 1.00 21.15 ? 501 TYR A CE2 1 ATOM 3030 C CZ . TYR A 1 195 ? -15.125 -18.349 46.909 1.00 17.75 ? 501 TYR A CZ 1 ATOM 3031 O OH . TYR A 1 195 ? -16.367 -18.732 47.339 1.00 23.75 ? 501 TYR A OH 1 ATOM 3032 H H . TYR A 1 195 ? -10.773 -19.185 44.659 1.00 28.00 ? 501 TYR A H 1 ATOM 3033 H HA . TYR A 1 195 ? -12.090 -17.314 43.442 1.00 23.82 ? 501 TYR A HA 1 ATOM 3034 H HB2 . TYR A 1 195 ? -10.695 -17.276 45.895 1.00 24.17 ? 501 TYR A HB2 1 ATOM 3035 H HB3 . TYR A 1 195 ? -11.442 -15.974 45.362 1.00 24.17 ? 501 TYR A HB3 1 ATOM 3036 H HD1 . TYR A 1 195 ? -13.850 -15.982 45.186 1.00 23.15 ? 501 TYR A HD1 1 ATOM 3037 H HD2 . TYR A 1 195 ? -12.003 -19.108 46.832 1.00 27.30 ? 501 TYR A HD2 1 ATOM 3038 H HE1 . TYR A 1 195 ? -15.850 -16.723 45.998 1.00 25.40 ? 501 TYR A HE1 1 ATOM 3039 H HE2 . TYR A 1 195 ? -14.034 -19.859 47.655 1.00 25.38 ? 501 TYR A HE2 1 ATOM 3040 H HH . TYR A 1 195 ? -16.310 -19.443 47.783 1.00 28.50 ? 501 TYR A HH 1 ATOM 3041 N N . ARG A 1 196 ? -10.644 -15.456 42.704 1.00 23.45 ? 502 ARG A N 1 ATOM 3042 C CA . ARG A 1 196 ? -9.746 -14.486 42.106 1.00 21.70 ? 502 ARG A CA 1 ATOM 3043 C C . ARG A 1 196 ? -8.602 -14.162 43.049 1.00 25.94 ? 502 ARG A C 1 ATOM 3044 O O . ARG A 1 196 ? -8.797 -13.958 44.251 1.00 24.58 ? 502 ARG A O 1 ATOM 3045 C CB . ARG A 1 196 ? -10.530 -13.225 41.771 1.00 22.03 ? 502 ARG A CB 1 ATOM 3046 C CG . ARG A 1 196 ? -9.786 -12.148 41.098 1.00 23.82 ? 502 ARG A CG 1 ATOM 3047 C CD . ARG A 1 196 ? -10.731 -10.966 40.920 1.00 19.23 ? 502 ARG A CD 1 ATOM 3048 N NE . ARG A 1 196 ? -10.095 -9.883 40.200 1.00 21.40 ? 502 ARG A NE 1 ATOM 3049 C CZ . ARG A 1 196 ? -10.468 -8.604 40.274 1.00 21.76 ? 502 ARG A CZ 1 ATOM 3050 N NH1 . ARG A 1 196 ? -11.478 -8.219 41.025 1.00 21.72 ? 502 ARG A NH1 1 ATOM 3051 N NH2 . ARG A 1 196 ? -9.826 -7.706 39.585 1.00 17.73 ? 502 ARG A NH2 1 ATOM 3052 H H . ARG A 1 196 ? -11.472 -15.221 42.696 1.00 28.14 ? 502 ARG A H 1 ATOM 3053 H HA . ARG A 1 196 ? -9.376 -14.847 41.285 1.00 26.05 ? 502 ARG A HA 1 ATOM 3054 H HB2 . ARG A 1 196 ? -11.266 -13.471 41.190 1.00 26.44 ? 502 ARG A HB2 1 ATOM 3055 H HB3 . ARG A 1 196 ? -10.881 -12.858 42.597 1.00 26.44 ? 502 ARG A HB3 1 ATOM 3056 H HG2 . ARG A 1 196 ? -9.035 -11.871 41.646 1.00 28.58 ? 502 ARG A HG2 1 ATOM 3057 H HG3 . ARG A 1 196 ? -9.487 -12.447 40.224 1.00 28.58 ? 502 ARG A HG3 1 ATOM 3058 H HD2 . ARG A 1 196 ? -11.508 -11.252 40.415 1.00 23.07 ? 502 ARG A HD2 1 ATOM 3059 H HD3 . ARG A 1 196 ? -10.998 -10.636 41.792 1.00 23.07 ? 502 ARG A HD3 1 ATOM 3060 H HE . ARG A 1 196 ? -9.431 -10.078 39.690 1.00 25.67 ? 502 ARG A HE 1 ATOM 3061 H HH11 . ARG A 1 196 ? -11.914 -8.798 41.488 1.00 26.06 ? 502 ARG A HH11 1 ATOM 3062 H HH12 . ARG A 1 196 ? -11.700 -7.389 41.055 1.00 26.06 ? 502 ARG A HH12 1 ATOM 3063 H HH21 . ARG A 1 196 ? -9.164 -7.938 39.087 1.00 21.27 ? 502 ARG A HH21 1 ATOM 3064 H HH22 . ARG A 1 196 ? -10.063 -6.881 39.627 1.00 21.27 ? 502 ARG A HH22 1 ATOM 3065 N N . SER A 1 197 ? -7.407 -14.090 42.488 1.00 21.56 ? 503 SER A N 1 ATOM 3066 C CA . SER A 1 197 ? -6.231 -13.788 43.288 1.00 27.34 ? 503 SER A CA 1 ATOM 3067 C C . SER A 1 197 ? -6.210 -12.308 43.670 1.00 28.57 ? 503 SER A C 1 ATOM 3068 O O . SER A 1 197 ? -6.320 -11.430 42.807 1.00 23.68 ? 503 SER A O 1 ATOM 3069 C CB . SER A 1 197 ? -4.980 -14.162 42.502 1.00 31.30 ? 503 SER A CB 1 ATOM 3070 O OG . SER A 1 197 ? -3.815 -13.903 43.264 1.00 51.74 ? 503 SER A OG 1 ATOM 3071 H H . SER A 1 197 ? -7.249 -14.210 41.652 1.00 25.87 ? 503 SER A H 1 ATOM 3072 H HA . SER A 1 197 ? -6.250 -14.315 44.102 1.00 32.81 ? 503 SER A HA 1 ATOM 3073 H HB2 . SER A 1 197 ? -5.013 -15.107 42.285 1.00 37.56 ? 503 SER A HB2 1 ATOM 3074 H HB3 . SER A 1 197 ? -4.948 -13.635 41.688 1.00 37.56 ? 503 SER A HB3 1 ATOM 3075 H HG . SER A 1 197 ? -3.131 -14.112 42.824 1.00 62.09 ? 503 SER A HG 1 ATOM 3076 N N . CYS A 1 198 ? -6.084 -12.031 44.973 1.00 24.58 ? 504 CYS A N 1 ATOM 3077 C CA . CYS A 1 198 ? -6.166 -10.671 45.498 1.00 29.03 ? 504 CYS A CA 1 ATOM 3078 C C . CYS A 1 198 ? -5.214 -10.506 46.678 1.00 29.45 ? 504 CYS A C 1 ATOM 3079 O O . CYS A 1 198 ? -4.952 -11.456 47.430 1.00 26.61 ? 504 CYS A O 1 ATOM 3080 C CB . CYS A 1 198 ? -7.569 -10.315 45.999 1.00 32.82 ? 504 CYS A CB 1 ATOM 3081 S SG . CYS A 1 198 ? -8.893 -10.322 44.829 1.00 28.98 ? 504 CYS A SG 1 ATOM 3082 H H . CYS A 1 198 ? -5.948 -12.627 45.578 1.00 29.49 ? 504 CYS A H 1 ATOM 3083 H HA . CYS A 1 198 ? -5.914 -10.039 44.806 1.00 34.83 ? 504 CYS A HA 1 ATOM 3084 H HB2 . CYS A 1 198 ? -7.805 -10.945 46.697 1.00 39.38 ? 504 CYS A HB2 1 ATOM 3085 H HB3 . CYS A 1 198 ? -7.532 -9.423 46.378 1.00 39.38 ? 504 CYS A HB3 1 ATOM 3086 N N . GLU A 1 199 ? -4.738 -9.277 46.854 1.00 28.74 ? 505 GLU A N 1 ATOM 3087 C CA . GLU A 1 199 ? -3.784 -8.946 47.898 1.00 33.85 ? 505 GLU A CA 1 ATOM 3088 C C . GLU A 1 199 ? -4.172 -7.626 48.555 1.00 34.76 ? 505 GLU A C 1 ATOM 3089 O O . GLU A 1 199 ? -4.694 -6.726 47.900 1.00 24.07 ? 505 GLU A O 1 ATOM 3090 C CB . GLU A 1 199 ? -2.368 -8.870 47.319 1.00 34.63 ? 505 GLU A CB 1 ATOM 3091 C CG . GLU A 1 199 ? -1.879 -10.217 46.736 1.00 57.88 ? 505 GLU A CG 1 ATOM 3092 C CD . GLU A 1 199 ? -0.605 -10.093 45.900 1.00 95.77 ? 505 GLU A CD 1 ATOM 3093 O OE1 . GLU A 1 199 ? -0.378 -9.014 45.296 1.00 91.31 ? 505 GLU A OE1 1 ATOM 3094 O OE2 . GLU A 1 199 ? 0.168 -11.080 45.846 1.00 86.69 ? 505 GLU A OE2 1 ATOM 3095 H H . GLU A 1 199 ? -4.961 -8.603 46.367 1.00 34.49 ? 505 GLU A H 1 ATOM 3096 H HA . GLU A 1 199 ? -3.799 -9.639 48.576 1.00 40.61 ? 505 GLU A HA 1 ATOM 3097 H HB2 . GLU A 1 199 ? -2.354 -8.213 46.607 1.00 41.55 ? 505 GLU A HB2 1 ATOM 3098 H HB3 . GLU A 1 199 ? -1.754 -8.608 48.023 1.00 41.55 ? 505 GLU A HB3 1 ATOM 3099 H HG2 . GLU A 1 199 ? -1.696 -10.828 47.467 1.00 69.45 ? 505 GLU A HG2 1 ATOM 3100 H HG3 . GLU A 1 199 ? -2.573 -10.583 46.166 1.00 69.45 ? 505 GLU A HG3 1 ATOM 3101 N N . SER A 1 200 ? -3.946 -7.528 49.863 1.00 24.25 ? 506 SER A N 1 ATOM 3102 C CA . SER A 1 200 ? -4.173 -6.302 50.619 1.00 23.90 ? 506 SER A CA 1 ATOM 3103 C C . SER A 1 200 ? -2.845 -5.813 51.174 1.00 31.97 ? 506 SER A C 1 ATOM 3104 O O . SER A 1 200 ? -2.046 -6.603 51.679 1.00 31.93 ? 506 SER A O 1 ATOM 3105 C CB . SER A 1 200 ? -5.174 -6.529 51.756 1.00 33.19 ? 506 SER A CB 1 ATOM 3106 O OG . SER A 1 200 ? -5.430 -5.336 52.475 1.00 35.02 ? 506 SER A OG 1 ATOM 3107 H H . SER A 1 200 ? -3.654 -8.177 50.346 1.00 29.10 ? 506 SER A H 1 ATOM 3108 H HA . SER A 1 200 ? -4.529 -5.620 50.029 1.00 28.68 ? 506 SER A HA 1 ATOM 3109 H HB2 . SER A 1 200 ? -6.007 -6.852 51.379 1.00 39.83 ? 506 SER A HB2 1 ATOM 3110 H HB3 . SER A 1 200 ? -4.811 -7.190 52.366 1.00 39.83 ? 506 SER A HB3 1 ATOM 3111 H HG . SER A 1 200 ? -5.748 -4.753 51.960 1.00 42.03 ? 506 SER A HG 1 ATOM 3112 N N . THR A 1 201 ? -2.592 -4.513 51.042 1.00 35.15 ? 507 THR A N 1 ATOM 3113 C CA . THR A 1 201 ? -1.344 -3.927 51.505 1.00 35.29 ? 507 THR A CA 1 ATOM 3114 C C . THR A 1 201 ? -1.618 -2.593 52.163 1.00 35.92 ? 507 THR A C 1 ATOM 3115 O O . THR A 1 201 ? -2.687 -1.997 52.013 1.00 32.07 ? 507 THR A O 1 ATOM 3116 C CB . THR A 1 201 ? -0.316 -3.678 50.379 1.00 43.27 ? 507 THR A CB 1 ATOM 3117 O OG1 . THR A 1 201 ? -0.967 -3.115 49.240 1.00 54.66 ? 507 THR A OG1 1 ATOM 3118 C CG2 . THR A 1 201 ? 0.379 -4.931 49.987 1.00 53.05 ? 507 THR A CG2 1 ATOM 3119 H H . THR A 1 201 ? -3.133 -3.948 50.686 1.00 42.17 ? 507 THR A H 1 ATOM 3120 H HA . THR A 1 201 ? -0.939 -4.514 52.162 1.00 42.34 ? 507 THR A HA 1 ATOM 3121 H HB . THR A 1 201 ? 0.354 -3.053 50.698 1.00 51.92 ? 507 THR A HB 1 ATOM 3122 H HG1 . THR A 1 201 ? -0.409 -2.979 48.627 1.00 65.60 ? 507 THR A HG1 1 ATOM 3123 H HG21 . THR A 1 201 ? 1.018 -4.748 49.280 1.00 63.66 ? 507 THR A HG21 1 ATOM 3124 H HG22 . THR A 1 201 ? 0.850 -5.300 50.750 1.00 63.66 ? 507 THR A HG22 1 ATOM 3125 H HG23 . THR A 1 201 ? -0.266 -5.582 49.669 1.00 63.66 ? 507 THR A HG23 1 ATOM 3126 N N . THR A 1 202 ? -0.651 -2.162 52.955 1.00 54.15 ? 508 THR A N 1 ATOM 3127 C CA . THR A 1 202 ? -0.561 -0.764 53.303 1.00 47.82 ? 508 THR A CA 1 ATOM 3128 C C . THR A 1 202 ? 0.213 -0.042 52.220 1.00 59.06 ? 508 THR A C 1 ATOM 3129 O O . THR A 1 202 ? 1.114 -0.586 51.567 1.00 41.02 ? 508 THR A O 1 ATOM 3130 C CB . THR A 1 202 ? 0.162 -0.547 54.606 1.00 48.72 ? 508 THR A CB 1 ATOM 3131 O OG1 . THR A 1 202 ? 1.562 -0.723 54.347 1.00 52.57 ? 508 THR A OG1 1 ATOM 3132 C CG2 . THR A 1 202 ? -0.376 -1.513 55.701 1.00 34.37 ? 508 THR A CG2 1 ATOM 3133 H H . THR A 1 202 ? -0.039 -2.658 53.300 1.00 64.98 ? 508 THR A H 1 ATOM 3134 H HA . THR A 1 202 ? -1.449 -0.380 53.367 1.00 57.38 ? 508 THR A HA 1 ATOM 3135 N N . VAL A 1 203 ? -0.137 1.201 52.034 1.00 48.39 ? 509 VAL A N 1 ATOM 3136 C CA . VAL A 1 203 ? 0.667 2.009 51.157 1.00 39.33 ? 509 VAL A CA 1 ATOM 3137 C C . VAL A 1 203 ? 0.259 3.413 51.507 1.00 35.99 ? 509 VAL A C 1 ATOM 3138 O O . VAL A 1 203 ? -0.936 3.732 51.528 1.00 22.77 ? 509 VAL A O 1 ATOM 3139 C CB . VAL A 1 203 ? 0.453 1.672 49.681 1.00 39.00 ? 509 VAL A CB 1 ATOM 3140 C CG1 . VAL A 1 203 ? -1.011 1.346 49.430 1.00 44.54 ? 509 VAL A CG1 1 ATOM 3141 C CG2 . VAL A 1 203 ? 0.976 2.822 48.815 1.00 48.61 ? 509 VAL A CG2 1 ATOM 3142 H H . VAL A 1 203 ? -0.814 1.595 52.390 1.00 58.06 ? 509 VAL A H 1 ATOM 3143 H HA . VAL A 1 203 ? 1.606 1.893 51.371 1.00 47.20 ? 509 VAL A HA 1 ATOM 3144 H HB . VAL A 1 203 ? 0.971 0.881 49.464 1.00 46.80 ? 509 VAL A HB 1 ATOM 3145 H HG11 . VAL A 1 203 ? -1.131 1.135 48.491 1.00 53.45 ? 509 VAL A HG11 1 ATOM 3146 H HG12 . VAL A 1 203 ? -1.263 0.585 49.976 1.00 53.45 ? 509 VAL A HG12 1 ATOM 3147 H HG13 . VAL A 1 203 ? -1.551 2.117 49.668 1.00 53.45 ? 509 VAL A HG13 1 ATOM 3148 H HG21 . VAL A 1 203 ? 0.837 2.602 47.881 1.00 58.33 ? 509 VAL A HG21 1 ATOM 3149 H HG22 . VAL A 1 203 ? 0.492 3.632 49.041 1.00 58.33 ? 509 VAL A HG22 1 ATOM 3150 H HG23 . VAL A 1 203 ? 1.923 2.943 48.990 1.00 58.33 ? 509 VAL A HG23 1 ATOM 3151 N N . LEU A 1 204 ? 1.251 4.216 51.863 1.00 35.74 ? 510 LEU A N 1 ATOM 3152 C CA . LEU A 1 204 ? 1.037 5.601 52.218 1.00 34.29 ? 510 LEU A CA 1 ATOM 3153 C C . LEU A 1 204 ? 0.041 5.568 53.363 1.00 36.75 ? 510 LEU A C 1 ATOM 3154 O O . LEU A 1 204 ? 0.335 4.911 54.376 1.00 49.86 ? 510 LEU A O 1 ATOM 3155 C CB . LEU A 1 204 ? 0.646 6.332 50.951 1.00 36.35 ? 510 LEU A CB 1 ATOM 3156 C CG . LEU A 1 204 ? 1.797 6.161 49.961 1.00 38.86 ? 510 LEU A CG 1 ATOM 3157 C CD1 . LEU A 1 204 ? 1.350 6.510 48.586 1.00 46.64 ? 510 LEU A CD1 1 ATOM 3158 C CD2 . LEU A 1 204 ? 2.985 7.024 50.385 1.00 37.34 ? 510 LEU A CD2 1 ATOM 3159 H H . LEU A 1 204 ? 2.074 3.972 51.905 1.00 42.89 ? 510 LEU A H 1 ATOM 3160 H HA . LEU A 1 204 ? 1.867 5.982 52.546 1.00 41.15 ? 510 LEU A HA 1 ATOM 3161 H HB2 . LEU A 1 204 ? -0.158 5.941 50.575 1.00 43.62 ? 510 LEU A HB2 1 ATOM 3162 H HB3 . LEU A 1 204 ? 0.523 7.277 51.135 1.00 43.62 ? 510 LEU A HB3 1 ATOM 3163 H HG . LEU A 1 204 ? 2.082 5.234 49.960 1.00 46.64 ? 510 LEU A HG 1 ATOM 3164 H HD11 . LEU A 1 204 ? 2.093 6.396 47.974 1.00 55.97 ? 510 LEU A HD11 1 ATOM 3165 H HD12 . LEU A 1 204 ? 0.620 5.924 48.334 1.00 55.97 ? 510 LEU A HD12 1 ATOM 3166 H HD13 . LEU A 1 204 ? 1.052 7.434 48.577 1.00 55.97 ? 510 LEU A HD13 1 ATOM 3167 H HD21 . LEU A 1 204 ? 3.706 6.904 49.747 1.00 44.81 ? 510 LEU A HD21 1 ATOM 3168 H HD22 . LEU A 1 204 ? 2.709 7.954 50.402 1.00 44.81 ? 510 LEU A HD22 1 ATOM 3169 H HD23 . LEU A 1 204 ? 3.276 6.748 51.269 1.00 44.81 ? 510 LEU A HD23 1 ATOM 3170 N N . ASP A 1 205 ? -1.130 6.167 53.248 1.00 30.90 ? 511 ASP A N 1 ATOM 3171 C CA . ASP A 1 205 ? -2.045 6.198 54.381 1.00 25.21 ? 511 ASP A CA 1 ATOM 3172 C C . ASP A 1 205 ? -3.260 5.340 54.146 1.00 28.11 ? 511 ASP A C 1 ATOM 3173 O O . ASP A 1 205 ? -4.276 5.506 54.824 1.00 38.52 ? 511 ASP A O 1 ATOM 3174 C CB . ASP A 1 205 ? -2.451 7.638 54.687 1.00 28.36 ? 511 ASP A CB 1 ATOM 3175 C CG . ASP A 1 205 ? -1.396 8.359 55.482 1.00 39.67 ? 511 ASP A CG 1 ATOM 3176 O OD1 . ASP A 1 205 ? -0.737 7.687 56.314 1.00 44.02 ? 511 ASP A OD1 1 ATOM 3177 O OD2 . ASP A 1 205 ? -1.221 9.572 55.273 1.00 36.75 ? 511 ASP A OD2 1 ATOM 3178 H H . ASP A 1 205 ? -1.419 6.558 52.539 1.00 37.07 ? 511 ASP A H 1 ATOM 3179 H HA . ASP A 1 205 ? -1.586 5.849 55.161 1.00 30.25 ? 511 ASP A HA 1 ATOM 3180 H HB2 . ASP A 1 205 ? -2.582 8.116 53.853 1.00 34.03 ? 511 ASP A HB2 1 ATOM 3181 H HB3 . ASP A 1 205 ? -3.271 7.635 55.204 1.00 34.03 ? 511 ASP A HB3 1 ATOM 3182 N N . HIS A 1 206 ? -3.169 4.414 53.202 1.00 23.97 ? 512 HIS A N 1 ATOM 3183 C CA . HIS A 1 206 ? -4.221 3.449 52.964 1.00 19.81 ? 512 HIS A CA 1 ATOM 3184 C C . HIS A 1 206 ? -3.868 2.181 53.749 1.00 20.94 ? 512 HIS A C 1 ATOM 3185 O O . HIS A 1 206 ? -2.879 1.510 53.443 1.00 28.31 ? 512 HIS A O 1 ATOM 3186 C CB . HIS A 1 206 ? -4.350 3.183 51.475 1.00 23.20 ? 512 HIS A CB 1 ATOM 3187 C CG . HIS A 1 206 ? -4.770 4.387 50.688 1.00 19.01 ? 512 HIS A CG 1 ATOM 3188 N ND1 . HIS A 1 206 ? -6.085 4.655 50.385 1.00 17.91 ? 512 HIS A ND1 1 ATOM 3189 C CD2 . HIS A 1 206 ? -4.045 5.373 50.119 1.00 19.51 ? 512 HIS A CD2 1 ATOM 3190 C CE1 . HIS A 1 206 ? -6.155 5.755 49.664 1.00 17.68 ? 512 HIS A CE1 1 ATOM 3191 N NE2 . HIS A 1 206 ? -4.928 6.209 49.482 1.00 22.33 ? 512 HIS A NE2 1 ATOM 3192 H H . HIS A 1 206 ? -2.493 4.325 52.677 1.00 28.76 ? 512 HIS A H 1 ATOM 3193 H HA . HIS A 1 206 ? -5.065 3.796 53.294 1.00 23.77 ? 512 HIS A HA 1 ATOM 3194 H HB2 . HIS A 1 206 ? -3.491 2.889 51.134 1.00 27.84 ? 512 HIS A HB2 1 ATOM 3195 H HB3 . HIS A 1 206 ? -5.014 2.491 51.337 1.00 27.84 ? 512 HIS A HB3 1 ATOM 3196 H HD2 . HIS A 1 206 ? -3.119 5.462 50.143 1.00 23.41 ? 512 HIS A HD2 1 ATOM 3197 H HE1 . HIS A 1 206 ? -6.935 6.146 49.341 1.00 21.22 ? 512 HIS A HE1 1 ATOM 3198 H HE2 . HIS A 1 206 ? -4.718 6.924 49.051 1.00 26.80 ? 512 HIS A HE2 1 ATOM 3199 N N . THR A 1 207 ? -4.666 1.862 54.765 1.00 24.81 ? 513 THR A N 1 ATOM 3200 C CA . THR A 1 207 ? -4.314 0.722 55.613 1.00 36.52 ? 513 THR A CA 1 ATOM 3201 C C . THR A 1 207 ? -4.674 -0.611 54.966 1.00 28.66 ? 513 THR A C 1 ATOM 3202 O O . THR A 1 207 ? -4.044 -1.633 55.260 1.00 29.31 ? 513 THR A O 1 ATOM 3203 C CB . THR A 1 207 ? -5.004 0.805 56.972 1.00 27.27 ? 513 THR A CB 1 ATOM 3204 O OG1 . THR A 1 207 ? -6.432 0.889 56.815 1.00 30.87 ? 513 THR A OG1 1 ATOM 3205 C CG2 . THR A 1 207 ? -4.502 2.010 57.774 1.00 33.50 ? 513 THR A CG2 1 ATOM 3206 H H . THR A 1 207 ? -5.391 2.271 54.980 1.00 29.78 ? 513 THR A H 1 ATOM 3207 H HA . THR A 1 207 ? -3.356 0.730 55.765 1.00 43.83 ? 513 THR A HA 1 ATOM 3208 H HB . THR A 1 207 ? -4.793 0.004 57.478 1.00 32.73 ? 513 THR A HB 1 ATOM 3209 H HG1 . THR A 1 207 ? -6.717 0.210 56.412 1.00 37.05 ? 513 THR A HG1 1 ATOM 3210 H HG21 . THR A 1 207 ? -4.951 2.047 58.633 1.00 40.20 ? 513 THR A HG21 1 ATOM 3211 H HG22 . THR A 1 207 ? -3.546 1.935 57.921 1.00 40.20 ? 513 THR A HG22 1 ATOM 3212 H HG23 . THR A 1 207 ? -4.683 2.830 57.288 1.00 40.20 ? 513 THR A HG23 1 ATOM 3213 N N . ASP A 1 208 ? -5.675 -0.615 54.093 1.00 25.93 ? 514 ASP A N 1 ATOM 3214 C CA . ASP A 1 208 ? -6.200 -1.824 53.533 1.00 24.08 ? 514 ASP A CA 1 ATOM 3215 C C . ASP A 1 208 ? -6.441 -1.581 52.047 1.00 18.47 ? 514 ASP A C 1 ATOM 3216 O O . ASP A 1 208 ? -7.566 -1.498 51.584 1.00 21.18 ? 514 ASP A O 1 ATOM 3217 C CB . ASP A 1 208 ? -7.462 -2.226 54.276 1.00 23.22 ? 514 ASP A CB 1 ATOM 3218 C CG . ASP A 1 208 ? -7.165 -2.575 55.716 1.00 32.11 ? 514 ASP A CG 1 ATOM 3219 O OD1 . ASP A 1 208 ? -7.212 -1.676 56.566 1.00 31.47 ? 514 ASP A OD1 1 ATOM 3220 O OD2 . ASP A 1 208 ? -6.825 -3.742 55.978 1.00 30.32 ? 514 ASP A OD2 1 ATOM 3221 H H . ASP A 1 208 ? -6.069 0.095 53.810 1.00 31.11 ? 514 ASP A H 1 ATOM 3222 H HA . ASP A 1 208 ? -5.547 -2.535 53.627 1.00 28.90 ? 514 ASP A HA 1 ATOM 3223 H HB2 . ASP A 1 208 ? -8.090 -1.487 54.265 1.00 27.86 ? 514 ASP A HB2 1 ATOM 3224 H HB3 . ASP A 1 208 ? -7.851 -3.005 53.848 1.00 27.86 ? 514 ASP A HB3 1 ATOM 3225 N N . TRP A 1 209 ? -5.354 -1.414 51.326 1.00 22.95 ? 515 TRP A N 1 ATOM 3226 C CA . TRP A 1 209 ? -5.396 -1.179 49.880 1.00 25.00 ? 515 TRP A CA 1 ATOM 3227 C C . TRP A 1 209 ? -5.452 -2.543 49.206 1.00 23.97 ? 515 TRP A C 1 ATOM 3228 O O . TRP A 1 209 ? -4.499 -3.324 49.298 1.00 23.00 ? 515 TRP A O 1 ATOM 3229 C CB . TRP A 1 209 ? -4.177 -0.374 49.430 1.00 23.50 ? 515 TRP A CB 1 ATOM 3230 C CG . TRP A 1 209 ? -4.117 -0.083 47.973 1.00 23.18 ? 515 TRP A CG 1 ATOM 3231 C CD1 . TRP A 1 209 ? -3.716 -0.933 46.978 1.00 34.78 ? 515 TRP A CD1 1 ATOM 3232 C CD2 . TRP A 1 209 ? -4.456 1.151 47.332 1.00 23.23 ? 515 TRP A CD2 1 ATOM 3233 N NE1 . TRP A 1 209 ? -3.791 -0.296 45.749 1.00 31.55 ? 515 TRP A NE1 1 ATOM 3234 C CE2 . TRP A 1 209 ? -4.237 0.980 45.942 1.00 25.22 ? 515 TRP A CE2 1 ATOM 3235 C CE3 . TRP A 1 209 ? -4.922 2.382 47.792 1.00 23.29 ? 515 TRP A CE3 1 ATOM 3236 C CZ2 . TRP A 1 209 ? -4.467 1.995 45.023 1.00 24.93 ? 515 TRP A CZ2 1 ATOM 3237 C CZ3 . TRP A 1 209 ? -5.154 3.390 46.875 1.00 21.62 ? 515 TRP A CZ3 1 ATOM 3238 C CH2 . TRP A 1 209 ? -4.928 3.192 45.501 1.00 20.33 ? 515 TRP A CH2 1 ATOM 3239 H H . TRP A 1 209 ? -4.557 -1.431 51.649 1.00 27.54 ? 515 TRP A H 1 ATOM 3240 H HA . TRP A 1 209 ? -6.199 -0.685 49.651 1.00 30.00 ? 515 TRP A HA 1 ATOM 3241 H HB2 . TRP A 1 209 ? -4.179 0.476 49.898 1.00 28.20 ? 515 TRP A HB2 1 ATOM 3242 H HB3 . TRP A 1 209 ? -3.377 -0.871 49.663 1.00 28.20 ? 515 TRP A HB3 1 ATOM 3243 H HD1 . TRP A 1 209 ? -3.435 -1.810 47.107 1.00 41.74 ? 515 TRP A HD1 1 ATOM 3244 H HE1 . TRP A 1 209 ? -3.584 -0.645 44.991 1.00 37.86 ? 515 TRP A HE1 1 ATOM 3245 H HE3 . TRP A 1 209 ? -5.071 2.523 48.699 1.00 27.95 ? 515 TRP A HE3 1 ATOM 3246 H HZ2 . TRP A 1 209 ? -4.323 1.863 44.114 1.00 29.91 ? 515 TRP A HZ2 1 ATOM 3247 H HZ3 . TRP A 1 209 ? -5.463 4.215 47.172 1.00 25.95 ? 515 TRP A HZ3 1 ATOM 3248 H HH2 . TRP A 1 209 ? -5.093 3.887 44.906 1.00 24.40 ? 515 TRP A HH2 1 ATOM 3249 N N . CYS A 1 210 ? -6.564 -2.826 48.529 1.00 21.69 ? 516 CYS A N 1 ATOM 3250 C CA . CYS A 1 210 ? -6.783 -4.119 47.890 1.00 25.35 ? 516 CYS A CA 1 ATOM 3251 C C . CYS A 1 210 ? -6.592 -4.013 46.384 1.00 26.29 ? 516 CYS A C 1 ATOM 3252 O O . CYS A 1 210 ? -7.141 -3.103 45.757 1.00 17.23 ? 516 CYS A O 1 ATOM 3253 C CB . CYS A 1 210 ? -8.185 -4.625 48.215 1.00 23.36 ? 516 CYS A CB 1 ATOM 3254 S SG . CYS A 1 210 ? -8.335 -5.084 50.009 1.00 27.72 ? 516 CYS A SG 1 ATOM 3255 H H . CYS A 1 210 ? -7.217 -2.276 48.426 1.00 26.03 ? 516 CYS A H 1 ATOM 3256 H HA . CYS A 1 210 ? -6.141 -4.759 48.234 1.00 30.43 ? 516 CYS A HA 1 ATOM 3257 H HB2 . CYS A 1 210 ? -8.830 -3.927 48.024 1.00 28.03 ? 516 CYS A HB2 1 ATOM 3258 H HB3 . CYS A 1 210 ? -8.373 -5.413 47.682 1.00 28.03 ? 516 CYS A HB3 1 ATOM 3259 N N . ARG A 1 211 ? -5.846 -4.966 45.814 1.00 25.50 ? 517 ARG A N 1 ATOM 3260 C CA . ARG A 1 211 ? -5.664 -5.099 44.372 1.00 25.06 ? 517 ARG A CA 1 ATOM 3261 C C . ARG A 1 211 ? -5.729 -6.565 43.992 1.00 20.31 ? 517 ARG A C 1 ATOM 3262 O O . ARG A 1 211 ? -5.152 -7.418 44.664 1.00 23.67 ? 517 ARG A O 1 ATOM 3263 C CB . ARG A 1 211 ? -4.323 -4.548 43.893 1.00 22.81 ? 517 ARG A CB 1 ATOM 3264 C CG . ARG A 1 211 ? -4.183 -3.040 44.040 1.00 44.56 ? 517 ARG A CG 1 ATOM 3265 C CD . ARG A 1 211 ? -5.545 -2.446 43.835 1.00 40.16 ? 517 ARG A CD 1 ATOM 3266 N NE . ARG A 1 211 ? -5.582 -1.480 42.796 1.00 28.21 ? 517 ARG A NE 1 ATOM 3267 C CZ . ARG A 1 211 ? -6.691 -1.141 42.138 1.00 50.74 ? 517 ARG A CZ 1 ATOM 3268 N NH1 . ARG A 1 211 ? -7.868 -1.734 42.387 1.00 37.73 ? 517 ARG A NH1 1 ATOM 3269 N NH2 . ARG A 1 211 ? -6.609 -0.209 41.212 1.00 35.63 ? 517 ARG A NH2 1 ATOM 3270 H H . ARG A 1 211 ? -5.422 -5.565 46.263 1.00 30.59 ? 517 ARG A H 1 ATOM 3271 H HA . ARG A 1 211 ? -6.375 -4.627 43.910 1.00 30.07 ? 517 ARG A HA 1 ATOM 3272 N N . CYS A 1 212 ? -6.416 -6.840 42.900 1.00 19.59 ? 518 CYS A N 1 ATOM 3273 C CA . CYS A 1 212 ? -6.591 -8.186 42.433 1.00 18.55 ? 518 CYS A CA 1 ATOM 3274 C C . CYS A 1 212 ? -5.973 -8.306 41.043 1.00 20.33 ? 518 CYS A C 1 ATOM 3275 O O . CYS A 1 212 ? -5.359 -7.362 40.516 1.00 21.23 ? 518 CYS A O 1 ATOM 3276 C CB . CYS A 1 212 ? -8.075 -8.550 42.475 1.00 23.73 ? 518 CYS A CB 1 ATOM 3277 S SG . CYS A 1 212 ? -8.910 -8.410 44.119 1.00 29.50 ? 518 CYS A SG 1 ATOM 3278 H H . CYS A 1 212 ? -6.797 -6.247 42.407 1.00 23.51 ? 518 CYS A H 1 ATOM 3279 H HA . CYS A 1 212 ? -6.117 -8.791 43.025 1.00 22.26 ? 518 CYS A HA 1 ATOM 3280 H HB2 . CYS A 1 212 ? -8.548 -7.967 41.861 1.00 28.48 ? 518 CYS A HB2 1 ATOM 3281 H HB3 . CYS A 1 212 ? -8.170 -9.470 42.181 1.00 28.48 ? 518 CYS A HB3 1 ATOM 3282 N N . SER A 1 213 ? -6.192 -9.465 40.440 1.00 22.47 ? 519 SER A N 1 ATOM 3283 C CA . SER A 1 213 ? -5.569 -9.836 39.183 1.00 18.13 ? 519 SER A CA 1 ATOM 3284 C C . SER A 1 213 ? -6.261 -9.157 38.014 1.00 21.78 ? 519 SER A C 1 ATOM 3285 O O . SER A 1 213 ? -7.426 -8.741 38.089 1.00 23.32 ? 519 SER A O 1 ATOM 3286 C CB . SER A 1 213 ? -5.639 -11.348 38.996 1.00 23.52 ? 519 SER A CB 1 ATOM 3287 O OG . SER A 1 213 ? -6.987 -11.782 39.113 1.00 26.78 ? 519 SER A OG 1 ATOM 3288 H H . SER A 1 213 ? -6.716 -10.072 40.751 1.00 26.96 ? 519 SER A H 1 ATOM 3289 H HA . SER A 1 213 ? -4.637 -9.567 39.190 1.00 21.75 ? 519 SER A HA 1 ATOM 3290 H HB2 . SER A 1 213 ? -5.305 -11.577 38.114 1.00 28.23 ? 519 SER A HB2 1 ATOM 3291 H HB3 . SER A 1 213 ? -5.103 -11.780 39.680 1.00 28.23 ? 519 SER A HB3 1 ATOM 3292 H HG . SER A 1 213 ? -7.461 -11.410 38.528 1.00 32.14 ? 519 SER A HG 1 ATOM 3293 N N . CYS A 1 214 ? -5.531 -9.077 36.900 1.00 25.04 ? 520 CYS A N 1 ATOM 3294 C CA A CYS A 1 214 ? -6.090 -8.655 35.617 0.83 23.54 ? 520 CYS A CA 1 ATOM 3295 C CA B CYS A 1 214 ? -6.104 -8.660 35.630 0.17 23.63 ? 520 CYS A CA 1 ATOM 3296 C C . CYS A 1 214 ? -6.409 -7.164 35.575 1.00 27.17 ? 520 CYS A C 1 ATOM 3297 O O . CYS A 1 214 ? -7.352 -6.735 34.901 1.00 26.99 ? 520 CYS A O 1 ATOM 3298 C CB A CYS A 1 214 ? -7.334 -9.477 35.249 0.83 25.17 ? 520 CYS A CB 1 ATOM 3299 C CB B CYS A 1 214 ? -7.372 -9.466 35.356 0.17 25.15 ? 520 CYS A CB 1 ATOM 3300 S SG A CYS A 1 214 ? -7.039 -11.284 35.139 0.83 22.80 ? 520 CYS A SG 1 ATOM 3301 S SG B CYS A 1 214 ? -7.952 -9.338 33.714 0.17 37.73 ? 520 CYS A SG 1 ATOM 3302 H H . CYS A 1 214 ? -4.693 -9.265 36.862 1.00 30.05 ? 520 CYS A H 1 ATOM 3303 H HA . CYS A 1 214 ? -5.447 -8.841 34.926 1.00 28.36 ? 520 CYS A HA 1 ATOM 3304 H HB2 A CYS A 1 214 ? -8.014 -9.330 35.925 0.83 30.21 ? 520 CYS A HB2 1 ATOM 3305 H HB2 B CYS A 1 214 ? -7.192 -10.402 35.534 0.17 30.18 ? 520 CYS A HB2 1 ATOM 3306 H HB3 A CYS A 1 214 ? -7.660 -9.178 34.386 0.83 30.21 ? 520 CYS A HB3 1 ATOM 3307 H HB3 B CYS A 1 214 ? -8.076 -9.149 35.944 0.17 30.18 ? 520 CYS A HB3 1 ATOM 3308 N N . LEU A 1 215 ? -5.633 -6.347 36.264 1.00 25.28 ? 521 LEU A N 1 ATOM 3309 C CA . LEU A 1 215 ? -5.862 -4.912 36.181 1.00 23.87 ? 521 LEU A CA 1 ATOM 3310 C C . LEU A 1 215 ? -4.915 -4.326 35.158 1.00 24.16 ? 521 LEU A C 1 ATOM 3311 O O . LEU A 1 215 ? -3.778 -4.792 35.040 1.00 23.77 ? 521 LEU A O 1 ATOM 3312 C CB . LEU A 1 215 ? -5.658 -4.214 37.527 1.00 24.73 ? 521 LEU A CB 1 ATOM 3313 C CG . LEU A 1 215 ? -6.625 -4.628 38.624 1.00 26.10 ? 521 LEU A CG 1 ATOM 3314 C CD1 . LEU A 1 215 ? -6.189 -3.988 39.968 1.00 27.99 ? 521 LEU A CD1 1 ATOM 3315 C CD2 . LEU A 1 215 ? -8.033 -4.200 38.271 1.00 30.64 ? 521 LEU A CD2 1 ATOM 3316 H H . LEU A 1 215 ? -4.983 -6.586 36.774 1.00 30.33 ? 521 LEU A H 1 ATOM 3317 H HA . LEU A 1 215 ? -6.771 -4.748 35.886 1.00 28.64 ? 521 LEU A HA 1 ATOM 3318 H HB2 . LEU A 1 215 ? -4.761 -4.406 37.840 1.00 29.67 ? 521 LEU A HB2 1 ATOM 3319 H HB3 . LEU A 1 215 ? -5.758 -3.258 37.395 1.00 29.67 ? 521 LEU A HB3 1 ATOM 3320 H HG . LEU A 1 215 ? -6.611 -5.593 38.723 1.00 31.32 ? 521 LEU A HG 1 ATOM 3321 H HD11 . LEU A 1 215 ? -6.810 -4.258 40.662 1.00 33.59 ? 521 LEU A HD11 1 ATOM 3322 H HD12 . LEU A 1 215 ? -5.295 -4.294 40.187 1.00 33.59 ? 521 LEU A HD12 1 ATOM 3323 H HD13 . LEU A 1 215 ? -6.195 -3.023 39.874 1.00 33.59 ? 521 LEU A HD13 1 ATOM 3324 H HD21 . LEU A 1 215 ? -8.634 -4.473 38.982 1.00 36.76 ? 521 LEU A HD21 1 ATOM 3325 H HD22 . LEU A 1 215 ? -8.054 -3.235 38.172 1.00 36.76 ? 521 LEU A HD22 1 ATOM 3326 H HD23 . LEU A 1 215 ? -8.292 -4.624 37.438 1.00 36.76 ? 521 LEU A HD23 1 ATOM 3327 N N . PRO A 1 216 ? -5.375 -3.294 34.429 1.00 24.08 ? 522 PRO A N 1 ATOM 3328 C CA . PRO A 1 216 ? -6.721 -2.696 34.481 1.00 21.69 ? 522 PRO A CA 1 ATOM 3329 C C . PRO A 1 216 ? -7.810 -3.603 33.938 1.00 24.67 ? 522 PRO A C 1 ATOM 3330 O O . PRO A 1 216 ? -8.952 -3.568 34.363 1.00 26.45 ? 522 PRO A O 1 ATOM 3331 C CB . PRO A 1 216 ? -6.579 -1.461 33.605 1.00 24.08 ? 522 PRO A CB 1 ATOM 3332 C CG . PRO A 1 216 ? -5.150 -1.138 33.644 1.00 29.68 ? 522 PRO A CG 1 ATOM 3333 C CD . PRO A 1 216 ? -4.450 -2.443 33.667 1.00 25.51 ? 522 PRO A CD 1 ATOM 3334 H HA . PRO A 1 216 ? -6.941 -2.429 35.387 1.00 26.02 ? 522 PRO A HA 1 ATOM 3335 H HB2 . PRO A 1 216 ? -6.861 -1.667 32.700 1.00 28.89 ? 522 PRO A HB2 1 ATOM 3336 H HB3 . PRO A 1 216 ? -7.106 -0.735 33.974 1.00 28.89 ? 522 PRO A HB3 1 ATOM 3337 H HG2 . PRO A 1 216 ? -4.909 -0.634 32.852 1.00 35.61 ? 522 PRO A HG2 1 ATOM 3338 H HG3 . PRO A 1 216 ? -4.953 -0.630 34.447 1.00 35.61 ? 522 PRO A HG3 1 ATOM 3339 H HD2 . PRO A 1 216 ? -4.339 -2.784 32.766 1.00 30.61 ? 522 PRO A HD2 1 ATOM 3340 H HD3 . PRO A 1 216 ? -3.601 -2.365 34.128 1.00 30.61 ? 522 PRO A HD3 1 ATOM 3341 N N . ASP A 1 217 ? -7.443 -4.409 32.956 1.00 24.32 ? 523 ASP A N 1 ATOM 3342 C CA . ASP A 1 217 ? -8.339 -5.420 32.414 1.00 23.23 ? 523 ASP A CA 1 ATOM 3343 C C . ASP A 1 217 ? -7.476 -6.411 31.663 1.00 20.86 ? 523 ASP A C 1 ATOM 3344 O O . ASP A 1 217 ? -6.273 -6.172 31.481 1.00 22.28 ? 523 ASP A O 1 ATOM 3345 C CB . ASP A 1 217 ? -9.421 -4.777 31.531 1.00 25.21 ? 523 ASP A CB 1 ATOM 3346 C CG . ASP A 1 217 ? -8.864 -4.196 30.233 1.00 29.82 ? 523 ASP A CG 1 ATOM 3347 O OD1 . ASP A 1 217 ? -8.269 -4.947 29.435 1.00 27.32 ? 523 ASP A OD1 1 ATOM 3348 O OD2 . ASP A 1 217 ? -9.013 -2.984 30.017 1.00 37.33 ? 523 ASP A OD2 1 ATOM 3349 H H . ASP A 1 217 ? -6.669 -4.391 32.580 1.00 29.19 ? 523 ASP A H 1 ATOM 3350 H HA . ASP A 1 217 ? -8.777 -5.886 33.143 1.00 27.88 ? 523 ASP A HA 1 ATOM 3351 H HB2 . ASP A 1 217 ? -10.079 -5.451 31.298 1.00 30.25 ? 523 ASP A HB2 1 ATOM 3352 H HB3 . ASP A 1 217 ? -9.844 -4.057 32.024 1.00 30.25 ? 523 ASP A HB3 1 ATOM 3353 N N . PRO A 1 218 ? -8.013 -7.585 31.308 1.00 21.10 ? 524 PRO A N 1 ATOM 3354 C CA . PRO A 1 218 ? -7.126 -8.624 30.756 1.00 21.39 ? 524 PRO A CA 1 ATOM 3355 C C . PRO A 1 218 ? -6.473 -8.222 29.450 1.00 20.26 ? 524 PRO A C 1 ATOM 3356 O O . PRO A 1 218 ? -5.386 -8.718 29.130 1.00 25.01 ? 524 PRO A O 1 ATOM 3357 C CB . PRO A 1 218 ? -8.040 -9.850 30.573 1.00 21.39 ? 524 PRO A CB 1 ATOM 3358 C CG . PRO A 1 218 ? -9.403 -9.406 30.830 1.00 31.89 ? 524 PRO A CG 1 ATOM 3359 C CD . PRO A 1 218 ? -9.415 -8.025 31.411 1.00 23.38 ? 524 PRO A CD 1 ATOM 3360 H HA . PRO A 1 218 ? -6.434 -8.842 31.399 1.00 25.67 ? 524 PRO A HA 1 ATOM 3361 H HB2 . PRO A 1 218 ? -7.958 -10.178 29.664 1.00 25.67 ? 524 PRO A HB2 1 ATOM 3362 H HB3 . PRO A 1 218 ? -7.784 -10.539 31.206 1.00 25.67 ? 524 PRO A HB3 1 ATOM 3363 H HG2 . PRO A 1 218 ? -9.893 -9.411 29.993 1.00 38.27 ? 524 PRO A HG2 1 ATOM 3364 H HG3 . PRO A 1 218 ? -9.817 -10.024 31.453 1.00 38.27 ? 524 PRO A HG3 1 ATOM 3365 H HD2 . PRO A 1 218 ? -9.989 -7.445 30.887 1.00 28.06 ? 524 PRO A HD2 1 ATOM 3366 H HD3 . PRO A 1 218 ? -9.692 -8.053 32.340 1.00 28.06 ? 524 PRO A HD3 1 ATOM 3367 N N . ILE A 1 219 ? -7.064 -7.312 28.702 1.00 22.95 ? 525 ILE A N 1 ATOM 3368 C CA . ILE A 1 219 ? -6.417 -6.910 27.455 1.00 23.60 ? 525 ILE A CA 1 ATOM 3369 C C . ILE A 1 219 ? -5.232 -5.997 27.729 1.00 29.12 ? 525 ILE A C 1 ATOM 3370 O O . ILE A 1 219 ? -4.165 -6.135 27.118 1.00 25.47 ? 525 ILE A O 1 ATOM 3371 C CB . ILE A 1 219 ? -7.446 -6.246 26.536 1.00 22.97 ? 525 ILE A CB 1 ATOM 3372 C CG1 . ILE A 1 219 ? -8.533 -7.268 26.147 1.00 26.01 ? 525 ILE A CG1 1 ATOM 3373 C CG2 . ILE A 1 219 ? -6.762 -5.692 25.305 1.00 32.26 ? 525 ILE A CG2 1 ATOM 3374 C CD1 . ILE A 1 219 ? -9.798 -6.590 25.669 1.00 29.28 ? 525 ILE A CD1 1 ATOM 3375 H H . ILE A 1 219 ? -7.810 -6.921 28.878 1.00 27.54 ? 525 ILE A H 1 ATOM 3376 H HA . ILE A 1 219 ? -6.084 -7.702 27.005 1.00 28.32 ? 525 ILE A HA 1 ATOM 3377 H HB . ILE A 1 219 ? -7.865 -5.514 27.015 1.00 27.57 ? 525 ILE A HB 1 ATOM 3378 H HG12 . ILE A 1 219 ? -8.201 -7.830 25.430 1.00 31.21 ? 525 ILE A HG12 1 ATOM 3379 H HG13 . ILE A 1 219 ? -8.754 -7.809 26.922 1.00 31.21 ? 525 ILE A HG13 1 ATOM 3380 H HG21 . ILE A 1 219 ? -7.427 -5.276 24.734 1.00 38.71 ? 525 ILE A HG21 1 ATOM 3381 H HG22 . ILE A 1 219 ? -6.103 -5.034 25.579 1.00 38.71 ? 525 ILE A HG22 1 ATOM 3382 H HG23 . ILE A 1 219 ? -6.327 -6.418 24.831 1.00 38.71 ? 525 ILE A HG23 1 ATOM 3383 H HD11 . ILE A 1 219 ? -10.451 -7.268 25.436 1.00 35.13 ? 525 ILE A HD11 1 ATOM 3384 H HD12 . ILE A 1 219 ? -10.143 -6.028 26.380 1.00 35.13 ? 525 ILE A HD12 1 ATOM 3385 H HD13 . ILE A 1 219 ? -9.590 -6.049 24.890 1.00 35.13 ? 525 ILE A HD13 1 ATOM 3386 N N . THR A 1 220 ? -5.403 -5.041 28.636 1.00 22.97 ? 526 THR A N 1 ATOM 3387 C CA . THR A 1 220 ? -4.383 -4.051 28.948 1.00 27.29 ? 526 THR A CA 1 ATOM 3388 C C . THR A 1 220 ? -3.607 -4.378 30.224 1.00 30.34 ? 526 THR A C 1 ATOM 3389 O O . THR A 1 220 ? -2.903 -3.512 30.744 1.00 31.93 ? 526 THR A O 1 ATOM 3390 C CB . THR A 1 220 ? -5.047 -2.685 29.091 1.00 30.64 ? 526 THR A CB 1 ATOM 3391 O OG1 . THR A 1 220 ? -5.979 -2.730 30.189 1.00 27.61 ? 526 THR A OG1 1 ATOM 3392 C CG2 . THR A 1 220 ? -5.792 -2.334 27.832 1.00 24.08 ? 526 THR A CG2 1 ATOM 3393 H H . THR A 1 220 ? -6.123 -4.945 29.096 1.00 27.56 ? 526 THR A H 1 ATOM 3394 H HA . THR A 1 220 ? -3.750 -4.005 28.214 1.00 32.74 ? 526 THR A HA 1 ATOM 3395 H HB . THR A 1 220 ? -4.373 -2.006 29.258 1.00 36.76 ? 526 THR A HB 1 ATOM 3396 H HG1 . THR A 1 220 ? -6.352 -1.983 30.280 1.00 33.13 ? 526 THR A HG1 1 ATOM 3397 H HG21 . THR A 1 220 ? -6.212 -1.465 27.928 1.00 28.89 ? 526 THR A HG21 1 ATOM 3398 H HG22 . THR A 1 220 ? -5.179 -2.307 27.081 1.00 28.89 ? 526 THR A HG22 1 ATOM 3399 H HG23 . THR A 1 220 ? -6.477 -2.998 27.657 1.00 28.89 ? 526 THR A HG23 1 ATOM 3400 N N . ALA A 1 221 ? -3.722 -5.605 30.735 1.00 28.95 ? 527 ALA A N 1 ATOM 3401 C CA . ALA A 1 221 ? -3.150 -5.972 32.022 1.00 24.10 ? 527 ALA A CA 1 ATOM 3402 C C . ALA A 1 221 ? -1.693 -5.547 32.160 1.00 36.39 ? 527 ALA A C 1 ATOM 3403 O O . ALA A 1 221 ? -0.858 -5.870 31.314 1.00 28.31 ? 527 ALA A O 1 ATOM 3404 C CB . ALA A 1 221 ? -3.254 -7.493 32.217 1.00 27.28 ? 527 ALA A CB 1 ATOM 3405 H H . ALA A 1 221 ? -4.134 -6.251 30.344 1.00 34.74 ? 527 ALA A H 1 ATOM 3406 H HA . ALA A 1 221 ? -3.657 -5.542 32.729 1.00 28.92 ? 527 ALA A HA 1 ATOM 3407 H HB1 . ALA A 1 221 ? -2.871 -7.728 33.077 1.00 32.74 ? 527 ALA A HB1 1 ATOM 3408 H HB2 . ALA A 1 221 ? -4.189 -7.751 32.189 1.00 32.74 ? 527 ALA A HB2 1 ATOM 3409 H HB3 . ALA A 1 221 ? -2.767 -7.936 31.505 1.00 32.74 ? 527 ALA A HB3 1 ATOM 3410 N N . TYR A 1 222 ? -1.389 -4.849 33.265 1.00 32.51 ? 528 TYR A N 1 ATOM 3411 C CA . TYR A 1 222 ? -0.003 -4.550 33.623 1.00 35.32 ? 528 TYR A CA 1 ATOM 3412 C C . TYR A 1 222 ? 0.841 -5.805 33.647 1.00 30.65 ? 528 TYR A C 1 ATOM 3413 O O . TYR A 1 222 ? 1.991 -5.806 33.191 1.00 35.70 ? 528 TYR A O 1 ATOM 3414 C CB . TYR A 1 222 ? 0.095 -3.932 35.013 1.00 37.14 ? 528 TYR A CB 1 ATOM 3415 C CG . TYR A 1 222 ? -0.744 -2.752 35.288 1.00 33.94 ? 528 TYR A CG 1 ATOM 3416 C CD1 . TYR A 1 222 ? -0.761 -1.673 34.424 1.00 35.24 ? 528 TYR A CD1 1 ATOM 3417 C CD2 . TYR A 1 222 ? -1.493 -2.686 36.460 1.00 37.30 ? 528 TYR A CD2 1 ATOM 3418 C CE1 . TYR A 1 222 ? -1.528 -0.551 34.705 1.00 48.99 ? 528 TYR A CE1 1 ATOM 3419 C CE2 . TYR A 1 222 ? -2.266 -1.580 36.747 1.00 37.38 ? 528 TYR A CE2 1 ATOM 3420 C CZ . TYR A 1 222 ? -2.269 -0.516 35.880 1.00 33.09 ? 528 TYR A CZ 1 ATOM 3421 O OH . TYR A 1 222 ? -3.039 0.570 36.169 1.00 47.82 ? 528 TYR A OH 1 ATOM 3422 H H . TYR A 1 222 ? -1.969 -4.540 33.819 1.00 39.01 ? 528 TYR A H 1 ATOM 3423 H HA . TYR A 1 222 ? 0.376 -3.932 32.979 1.00 42.38 ? 528 TYR A HA 1 ATOM 3424 H HB2 . TYR A 1 222 ? -0.147 -4.611 35.662 1.00 44.56 ? 528 TYR A HB2 1 ATOM 3425 H HB3 . TYR A 1 222 ? 1.017 -3.666 35.160 1.00 44.56 ? 528 TYR A HB3 1 ATOM 3426 H HD1 . TYR A 1 222 ? -0.254 -1.700 33.645 1.00 42.28 ? 528 TYR A HD1 1 ATOM 3427 H HD2 . TYR A 1 222 ? -1.482 -3.403 37.052 1.00 44.77 ? 528 TYR A HD2 1 ATOM 3428 H HE1 . TYR A 1 222 ? -1.542 0.170 34.117 1.00 58.79 ? 528 TYR A HE1 1 ATOM 3429 H HE2 . TYR A 1 222 ? -2.767 -1.548 37.530 1.00 44.85 ? 528 TYR A HE2 1 ATOM 3430 H HH . TYR A 1 222 ? -3.429 0.458 36.904 1.00 57.38 ? 528 TYR A HH 1 ATOM 3431 N N . ASP A 1 223 ? 0.307 -6.864 34.258 1.00 33.40 ? 529 ASP A N 1 ATOM 3432 C CA . ASP A 1 223 ? 1.045 -8.092 34.520 1.00 28.87 ? 529 ASP A CA 1 ATOM 3433 C C . ASP A 1 223 ? 0.258 -9.295 34.011 1.00 27.30 ? 529 ASP A C 1 ATOM 3434 O O . ASP A 1 223 ? -0.512 -9.914 34.753 1.00 27.45 ? 529 ASP A O 1 ATOM 3435 C CB . ASP A 1 223 ? 1.339 -8.217 36.011 1.00 31.68 ? 529 ASP A CB 1 ATOM 3436 C CG . ASP A 1 223 ? 2.088 -9.480 36.341 1.00 36.18 ? 529 ASP A CG 1 ATOM 3437 O OD1 . ASP A 1 223 ? 2.855 -9.941 35.475 1.00 50.02 ? 529 ASP A OD1 1 ATOM 3438 O OD2 . ASP A 1 223 ? 1.898 -10.015 37.449 1.00 50.89 ? 529 ASP A OD2 1 ATOM 3439 H H . ASP A 1 223 ? -0.506 -6.891 34.537 1.00 40.08 ? 529 ASP A H 1 ATOM 3440 H HA . ASP A 1 223 ? 1.891 -8.063 34.047 1.00 34.64 ? 529 ASP A HA 1 ATOM 3441 H HB2 . ASP A 1 223 ? 1.882 -7.463 36.291 1.00 38.01 ? 529 ASP A HB2 1 ATOM 3442 H HB3 . ASP A 1 223 ? 0.502 -8.225 36.500 1.00 38.01 ? 529 ASP A HB3 1 ATOM 3443 N N . PRO A 1 224 ? 0.441 -9.671 32.752 1.00 27.84 ? 530 PRO A N 1 ATOM 3444 C CA . PRO A 1 224 ? -0.315 -10.814 32.221 1.00 24.10 ? 530 PRO A CA 1 ATOM 3445 C C . PRO A 1 224 ? -0.059 -12.107 32.963 1.00 24.53 ? 530 PRO A C 1 ATOM 3446 O O . PRO A 1 224 ? -0.929 -12.995 32.996 1.00 25.10 ? 530 PRO A O 1 ATOM 3447 C CB . PRO A 1 224 ? 0.176 -10.907 30.771 1.00 30.63 ? 530 PRO A CB 1 ATOM 3448 C CG . PRO A 1 224 ? 0.762 -9.578 30.460 1.00 36.05 ? 530 PRO A CG 1 ATOM 3449 C CD . PRO A 1 224 ? 1.311 -9.055 31.743 1.00 33.18 ? 530 PRO A CD 1 ATOM 3450 H HA . PRO A 1 224 ? -1.266 -10.621 32.227 1.00 28.91 ? 530 PRO A HA 1 ATOM 3451 H HB2 . PRO A 1 224 ? 0.849 -11.602 30.700 1.00 36.75 ? 530 PRO A HB2 1 ATOM 3452 H HB3 . PRO A 1 224 ? -0.574 -11.095 30.185 1.00 36.75 ? 530 PRO A HB3 1 ATOM 3453 H HG2 . PRO A 1 224 ? 1.470 -9.682 29.805 1.00 43.26 ? 530 PRO A HG2 1 ATOM 3454 H HG3 . PRO A 1 224 ? 0.069 -8.990 30.122 1.00 43.26 ? 530 PRO A HG3 1 ATOM 3455 H HD2 . PRO A 1 224 ? 2.228 -9.346 31.863 1.00 39.82 ? 530 PRO A HD2 1 ATOM 3456 H HD3 . PRO A 1 224 ? 1.235 -8.088 31.775 1.00 39.82 ? 530 PRO A HD3 1 ATOM 3457 N N . ARG A 1 225 ? 1.152 -12.268 33.490 1.00 23.01 ? 531 ARG A N 1 ATOM 3458 C CA . ARG A 1 225 ? 1.506 -13.495 34.181 1.00 23.49 ? 531 ARG A CA 1 ATOM 3459 C C . ARG A 1 225 ? 0.557 -13.789 35.337 1.00 30.02 ? 531 ARG A C 1 ATOM 3460 O O . ARG A 1 225 ? 0.204 -14.951 35.579 1.00 26.74 ? 531 ARG A O 1 ATOM 3461 C CB . ARG A 1 225 ? 2.939 -13.398 34.678 1.00 29.01 ? 531 ARG A CB 1 ATOM 3462 C CG . ARG A 1 225 ? 3.413 -14.686 35.328 1.00 32.03 ? 531 ARG A CG 1 ATOM 3463 C CD . ARG A 1 225 ? 3.365 -15.869 34.309 1.00 41.72 ? 531 ARG A CD 1 ATOM 3464 N NE . ARG A 1 225 ? 3.885 -17.090 34.926 1.00 44.64 ? 531 ARG A NE 1 ATOM 3465 C CZ . ARG A 1 225 ? 5.176 -17.394 34.995 1.00 39.72 ? 531 ARG A CZ 1 ATOM 3466 N NH1 . ARG A 1 225 ? 6.094 -16.597 34.439 1.00 42.32 ? 531 ARG A NH1 1 ATOM 3467 N NH2 . ARG A 1 225 ? 5.546 -18.499 35.615 1.00 39.85 ? 531 ARG A NH2 1 ATOM 3468 H H . ARG A 1 225 ? 1.781 -11.682 33.460 1.00 27.61 ? 531 ARG A H 1 ATOM 3469 H HA . ARG A 1 225 ? 1.455 -14.235 33.556 1.00 28.19 ? 531 ARG A HA 1 ATOM 3470 H HB2 . ARG A 1 225 ? 3.523 -13.207 33.927 1.00 34.81 ? 531 ARG A HB2 1 ATOM 3471 H HB3 . ARG A 1 225 ? 2.999 -12.688 35.336 1.00 34.81 ? 531 ARG A HB3 1 ATOM 3472 H HG2 . ARG A 1 225 ? 4.328 -14.577 35.629 1.00 38.43 ? 531 ARG A HG2 1 ATOM 3473 H HG3 . ARG A 1 225 ? 2.834 -14.901 36.076 1.00 38.43 ? 531 ARG A HG3 1 ATOM 3474 H HD2 . ARG A 1 225 ? 2.447 -16.027 34.039 1.00 50.06 ? 531 ARG A HD2 1 ATOM 3475 H HD3 . ARG A 1 225 ? 3.914 -15.655 33.539 1.00 50.06 ? 531 ARG A HD3 1 ATOM 3476 H HE . ARG A 1 225 ? 3.318 -17.679 35.192 1.00 53.56 ? 531 ARG A HE 1 ATOM 3477 H HH11 . ARG A 1 225 ? 5.853 -15.871 34.047 1.00 50.78 ? 531 ARG A HH11 1 ATOM 3478 H HH12 . ARG A 1 225 ? 6.927 -16.805 34.483 1.00 50.78 ? 531 ARG A HH12 1 ATOM 3479 H HH21 . ARG A 1 225 ? 4.953 -19.017 35.961 1.00 47.82 ? 531 ARG A HH21 1 ATOM 3480 H HH22 . ARG A 1 225 ? 6.377 -18.716 35.646 1.00 47.82 ? 531 ARG A HH22 1 ATOM 3481 N N . SER A 1 226 ? 0.135 -12.761 36.067 1.00 28.22 ? 532 SER A N 1 ATOM 3482 C CA . SER A 1 226 ? -0.712 -12.976 37.231 1.00 30.59 ? 532 SER A CA 1 ATOM 3483 C C . SER A 1 226 ? -2.191 -12.937 36.879 1.00 31.34 ? 532 SER A C 1 ATOM 3484 O O . SER A 1 226 ? -3.025 -13.147 37.757 1.00 31.57 ? 532 SER A O 1 ATOM 3485 C CB . SER A 1 226 ? -0.398 -11.934 38.321 1.00 31.85 ? 532 SER A CB 1 ATOM 3486 O OG . SER A 1 226 ? -0.698 -10.642 37.845 1.00 41.60 ? 532 SER A OG 1 ATOM 3487 H H . SER A 1 226 ? 0.325 -11.936 35.911 1.00 33.86 ? 532 SER A H 1 ATOM 3488 H HA . SER A 1 226 ? -0.519 -13.853 37.597 1.00 36.71 ? 532 SER A HA 1 ATOM 3489 H HB2 . SER A 1 226 ? -0.938 -12.119 39.105 1.00 38.22 ? 532 SER A HB2 1 ATOM 3490 H HB3 . SER A 1 226 ? 0.545 -11.980 38.545 1.00 38.22 ? 532 SER A HB3 1 ATOM 3491 H HG . SER A 1 226 ? -0.528 -10.070 38.437 1.00 49.93 ? 532 SER A HG 1 ATOM 3492 N N . CYS A 1 227 ? -2.532 -12.706 35.612 1.00 23.37 ? 533 CYS A N 1 ATOM 3493 C CA . CYS A 1 227 ? -3.917 -12.752 35.165 1.00 24.18 ? 533 CYS A CA 1 ATOM 3494 C C . CYS A 1 227 ? -4.212 -14.154 34.644 1.00 26.15 ? 533 CYS A C 1 ATOM 3495 O O . CYS A 1 227 ? -3.494 -14.656 33.773 1.00 23.98 ? 533 CYS A O 1 ATOM 3496 C CB . CYS A 1 227 ? -4.165 -11.704 34.064 1.00 25.31 ? 533 CYS A CB 1 ATOM 3497 S SG . CYS A 1 227 ? -5.854 -11.616 33.473 1.00 26.78 ? 533 CYS A SG 1 ATOM 3498 H H . CYS A 1 227 ? -1.971 -12.518 34.988 1.00 28.05 ? 533 CYS A H 1 ATOM 3499 H HA . CYS A 1 227 ? -4.508 -12.566 35.911 1.00 29.01 ? 533 CYS A HA 1 ATOM 3500 H HB2 . CYS A 1 227 ? -3.931 -10.830 34.412 1.00 30.37 ? 533 CYS A HB2 1 ATOM 3501 H HB3 . CYS A 1 227 ? -3.600 -11.914 33.305 1.00 30.37 ? 533 CYS A HB3 1 ATOM 3502 N N . SER A 1 228 ? -5.264 -14.785 35.177 1.00 22.85 ? 534 SER A N 1 ATOM 3503 C CA . SER A 1 228 ? -5.550 -16.176 34.842 1.00 22.32 ? 534 SER A CA 1 ATOM 3504 C C . SER A 1 228 ? -6.176 -16.310 33.464 1.00 21.99 ? 534 SER A C 1 ATOM 3505 O O . SER A 1 228 ? -6.282 -17.426 32.948 1.00 21.04 ? 534 SER A O 1 ATOM 3506 C CB . SER A 1 228 ? -6.471 -16.820 35.886 1.00 23.80 ? 534 SER A CB 1 ATOM 3507 O OG . SER A 1 228 ? -5.761 -16.946 37.088 1.00 31.71 ? 534 SER A OG 1 ATOM 3508 H H . SER A 1 228 ? -5.820 -14.431 35.730 1.00 27.42 ? 534 SER A H 1 ATOM 3509 H HA . SER A 1 228 ? -4.717 -16.672 34.837 1.00 26.78 ? 534 SER A HA 1 ATOM 3510 H HB2 . SER A 1 228 ? -7.246 -16.254 36.026 1.00 28.56 ? 534 SER A HB2 1 ATOM 3511 H HB3 . SER A 1 228 ? -6.744 -17.699 35.578 1.00 28.56 ? 534 SER A HB3 1 ATOM 3512 H HG . SER A 1 228 ? -6.248 -17.298 37.674 1.00 38.05 ? 534 SER A HG 1 ATOM 3513 N N . GLN A 1 229 ? -6.613 -15.209 32.871 1.00 19.71 ? 535 GLN A N 1 ATOM 3514 C CA . GLN A 1 229 ? -7.118 -15.209 31.506 1.00 21.15 ? 535 GLN A CA 1 ATOM 3515 C C . GLN A 1 229 ? -5.925 -15.014 30.582 1.00 19.55 ? 535 GLN A C 1 ATOM 3516 O O . GLN A 1 229 ? -5.218 -14.005 30.685 1.00 21.51 ? 535 GLN A O 1 ATOM 3517 C CB . GLN A 1 229 ? -8.147 -14.101 31.325 1.00 25.80 ? 535 GLN A CB 1 ATOM 3518 C CG . GLN A 1 229 ? -9.251 -14.103 32.367 1.00 25.04 ? 535 GLN A CG 1 ATOM 3519 C CD . GLN A 1 229 ? -10.182 -12.914 32.215 1.00 21.43 ? 535 GLN A CD 1 ATOM 3520 O OE1 . GLN A 1 229 ? -10.652 -12.603 31.106 1.00 22.32 ? 535 GLN A OE1 1 ATOM 3521 N NE2 . GLN A 1 229 ? -10.439 -12.227 33.322 1.00 18.78 ? 535 GLN A NE2 1 ATOM 3522 H H . GLN A 1 229 ? -6.628 -14.435 33.246 1.00 23.65 ? 535 GLN A H 1 ATOM 3523 H HA . GLN A 1 229 ? -7.535 -16.061 31.307 1.00 25.38 ? 535 GLN A HA 1 ATOM 3524 H HB2 . GLN A 1 229 ? -7.695 -13.244 31.376 1.00 30.97 ? 535 GLN A HB2 1 ATOM 3525 H HB3 . GLN A 1 229 ? -8.562 -14.201 30.454 1.00 30.97 ? 535 GLN A HB3 1 ATOM 3526 H HG2 . GLN A 1 229 ? -9.776 -14.913 32.272 1.00 30.05 ? 535 GLN A HG2 1 ATOM 3527 H HG3 . GLN A 1 229 ? -8.854 -14.065 33.251 1.00 30.05 ? 535 GLN A HG3 1 ATOM 3528 H HE21 . GLN A 1 229 ? -10.084 -12.465 34.068 1.00 22.54 ? 535 GLN A HE21 1 ATOM 3529 H HE22 . GLN A 1 229 ? -10.961 -11.544 33.293 1.00 22.54 ? 535 GLN A HE22 1 ATOM 3530 N N . LYS A 1 230 ? -5.692 -15.977 29.700 1.00 19.55 ? 536 LYS A N 1 ATOM 3531 C CA . LYS A 1 230 ? -4.464 -16.050 28.922 1.00 18.51 ? 536 LYS A CA 1 ATOM 3532 C C . LYS A 1 230 ? -4.784 -15.788 27.455 1.00 19.45 ? 536 LYS A C 1 ATOM 3533 O O . LYS A 1 230 ? -5.697 -16.400 26.889 1.00 21.33 ? 536 LYS A O 1 ATOM 3534 C CB . LYS A 1 230 ? -3.793 -17.422 29.104 1.00 17.79 ? 536 LYS A CB 1 ATOM 3535 C CG . LYS A 1 230 ? -3.490 -17.771 30.575 1.00 19.71 ? 536 LYS A CG 1 ATOM 3536 C CD . LYS A 1 230 ? -2.557 -16.771 31.227 1.00 18.40 ? 536 LYS A CD 1 ATOM 3537 C CE . LYS A 1 230 ? -2.076 -17.292 32.574 1.00 19.92 ? 536 LYS A CE 1 ATOM 3538 N NZ . LYS A 1 230 ? -1.238 -16.222 33.123 1.00 24.50 ? 536 LYS A NZ 1 ATOM 3539 H H . LYS A 1 230 ? -6.244 -16.614 29.530 1.00 23.46 ? 536 LYS A H 1 ATOM 3540 H HA . LYS A 1 230 ? -3.849 -15.366 29.228 1.00 22.21 ? 536 LYS A HA 1 ATOM 3541 H HB2 . LYS A 1 230 ? -4.381 -18.108 28.751 1.00 21.35 ? 536 LYS A HB2 1 ATOM 3542 H HB3 . LYS A 1 230 ? -2.953 -17.427 28.619 1.00 21.35 ? 536 LYS A HB3 1 ATOM 3543 H HG2 . LYS A 1 230 ? -4.321 -17.778 31.076 1.00 23.65 ? 536 LYS A HG2 1 ATOM 3544 H HG3 . LYS A 1 230 ? -3.070 -18.644 30.614 1.00 23.65 ? 536 LYS A HG3 1 ATOM 3545 H HD2 . LYS A 1 230 ? -1.785 -16.631 30.658 1.00 22.08 ? 536 LYS A HD2 1 ATOM 3546 H HD3 . LYS A 1 230 ? -3.028 -15.935 31.371 1.00 22.08 ? 536 LYS A HD3 1 ATOM 3547 H HE2 . LYS A 1 230 ? -2.828 -17.449 33.165 1.00 23.90 ? 536 LYS A HE2 1 ATOM 3548 H HE3 . LYS A 1 230 ? -1.541 -18.093 32.456 1.00 23.90 ? 536 LYS A HE3 1 ATOM 3549 H HZ1 . LYS A 1 230 ? -0.920 -16.463 33.918 1.00 29.40 ? 536 LYS A HZ1 1 ATOM 3550 H HZ2 . LYS A 1 230 ? -0.555 -16.060 32.575 1.00 29.40 ? 536 LYS A HZ2 1 ATOM 3551 H HZ3 . LYS A 1 230 ? -1.717 -15.478 33.216 1.00 29.40 ? 536 LYS A HZ3 1 ATOM 3552 N N . LYS A 1 231 ? -4.035 -14.880 26.845 1.00 24.85 ? 537 LYS A N 1 ATOM 3553 C CA . LYS A 1 231 ? -4.279 -14.541 25.453 1.00 28.39 ? 537 LYS A CA 1 ATOM 3554 C C . LYS A 1 231 ? -4.216 -15.801 24.607 1.00 22.53 ? 537 LYS A C 1 ATOM 3555 O O . LYS A 1 231 ? -3.379 -16.672 24.865 1.00 27.67 ? 537 LYS A O 1 ATOM 3556 C CB . LYS A 1 231 ? -3.223 -13.567 24.962 1.00 31.68 ? 537 LYS A CB 1 ATOM 3557 C CG . LYS A 1 231 ? -3.265 -12.210 25.539 1.00 33.17 ? 537 LYS A CG 1 ATOM 3558 C CD . LYS A 1 231 ? -2.009 -11.443 25.115 1.00 44.28 ? 537 LYS A CD 1 ATOM 3559 C CE . LYS A 1 231 ? -2.011 -11.184 23.603 1.00 54.14 ? 537 LYS A CE 1 ATOM 3560 N NZ . LYS A 1 231 ? -0.648 -11.159 23.017 1.00 61.69 ? 537 LYS A NZ 1 ATOM 3561 H H . LYS A 1 231 ? -3.386 -14.449 27.210 1.00 29.82 ? 537 LYS A H 1 ATOM 3562 H HA . LYS A 1 231 ? -5.155 -14.136 25.356 1.00 34.07 ? 537 LYS A HA 1 ATOM 3563 H HB2 . LYS A 1 231 ? -2.350 -13.938 25.164 1.00 38.02 ? 537 LYS A HB2 1 ATOM 3564 H HB3 . LYS A 1 231 ? -3.318 -13.474 24.001 1.00 38.02 ? 537 LYS A HB3 1 ATOM 3565 H HG2 . LYS A 1 231 ? -4.045 -11.738 25.208 1.00 39.81 ? 537 LYS A HG2 1 ATOM 3566 H HG3 . LYS A 1 231 ? -3.283 -12.267 26.507 1.00 39.81 ? 537 LYS A HG3 1 ATOM 3567 H HD2 . LYS A 1 231 ? -1.984 -10.588 25.572 1.00 53.14 ? 537 LYS A HD2 1 ATOM 3568 H HD3 . LYS A 1 231 ? -1.223 -11.967 25.335 1.00 53.14 ? 537 LYS A HD3 1 ATOM 3569 H HE2 . LYS A 1 231 ? -2.513 -11.888 23.164 1.00 64.97 ? 537 LYS A HE2 1 ATOM 3570 H HE3 . LYS A 1 231 ? -2.426 -10.324 23.432 1.00 64.97 ? 537 LYS A HE3 1 ATOM 3571 H HZ1 . LYS A 1 231 ? -0.696 -11.006 22.141 1.00 74.03 ? 537 LYS A HZ1 1 ATOM 3572 H HZ2 . LYS A 1 231 ? -0.165 -10.515 23.396 1.00 74.03 ? 537 LYS A HZ2 1 ATOM 3573 H HZ3 . LYS A 1 231 ? -0.244 -11.941 23.152 1.00 74.03 ? 537 LYS A HZ3 1 ATOM 3574 N N . SER A 1 232 ? -5.134 -15.940 23.633 1.00 22.47 ? 538 SER A N 1 ATOM 3575 C CA . SER A 1 232 ? -5.125 -17.121 22.757 1.00 23.76 ? 538 SER A CA 1 ATOM 3576 C C . SER A 1 232 ? -5.533 -16.759 21.331 1.00 20.26 ? 538 SER A C 1 ATOM 3577 O O . SER A 1 232 ? -6.599 -16.182 21.106 1.00 28.40 ? 538 SER A O 1 ATOM 3578 C CB . SER A 1 232 ? -6.030 -18.250 23.277 1.00 27.17 ? 538 SER A CB 1 ATOM 3579 O OG . SER A 1 232 ? -7.268 -17.734 23.697 1.00 46.37 ? 538 SER A OG 1 ATOM 3580 H H . SER A 1 232 ? -5.759 -15.375 23.463 1.00 26.97 ? 538 SER A H 1 ATOM 3581 H HA . SER A 1 232 ? -4.220 -17.468 22.721 1.00 28.52 ? 538 SER A HA 1 ATOM 3582 H HB2 . SER A 1 232 ? -6.178 -18.891 22.564 1.00 32.60 ? 538 SER A HB2 1 ATOM 3583 H HB3 . SER A 1 232 ? -5.596 -18.684 24.029 1.00 32.60 ? 538 SER A HB3 1 ATOM 3584 H HG . SER A 1 232 ? -7.654 -17.354 23.054 1.00 55.65 ? 538 SER A HG 1 ATOM 3585 N N . LEU A 1 233 ? -4.672 -17.093 20.387 1.00 25.26 ? 539 LEU A N 1 ATOM 3586 C CA . LEU A 1 233 ? -4.960 -16.963 18.959 1.00 25.26 ? 539 LEU A CA 1 ATOM 3587 C C . LEU A 1 233 ? -5.680 -18.218 18.508 1.00 22.49 ? 539 LEU A C 1 ATOM 3588 O O . LEU A 1 233 ? -5.359 -19.310 18.978 1.00 21.13 ? 539 LEU A O 1 ATOM 3589 C CB . LEU A 1 233 ? -3.655 -16.792 18.185 1.00 26.80 ? 539 LEU A CB 1 ATOM 3590 C CG . LEU A 1 233 ? -2.862 -15.541 18.577 1.00 30.97 ? 539 LEU A CG 1 ATOM 3591 C CD1 . LEU A 1 233 ? -1.464 -15.600 18.006 1.00 44.11 ? 539 LEU A CD1 1 ATOM 3592 C CD2 . LEU A 1 233 ? -3.592 -14.307 18.077 1.00 30.60 ? 539 LEU A CD2 1 ATOM 3593 H H . LEU A 1 233 ? -3.888 -17.408 20.548 1.00 30.31 ? 539 LEU A H 1 ATOM 3594 H HA . LEU A 1 233 ? -5.529 -16.193 18.800 1.00 30.31 ? 539 LEU A HA 1 ATOM 3595 H HB2 . LEU A 1 233 ? -3.091 -17.564 18.349 1.00 32.16 ? 539 LEU A HB2 1 ATOM 3596 H HB3 . LEU A 1 233 ? -3.858 -16.729 17.239 1.00 32.16 ? 539 LEU A HB3 1 ATOM 3597 H HG . LEU A 1 233 ? -2.797 -15.489 19.544 1.00 37.16 ? 539 LEU A HG 1 ATOM 3598 H HD11 . LEU A 1 233 ? -0.983 -14.799 18.267 1.00 52.93 ? 539 LEU A HD11 1 ATOM 3599 H HD12 . LEU A 1 233 ? -1.014 -16.385 18.354 1.00 52.93 ? 539 LEU A HD12 1 ATOM 3600 H HD13 . LEU A 1 233 ? -1.520 -15.652 17.039 1.00 52.93 ? 539 LEU A HD13 1 ATOM 3601 H HD21 . LEU A 1 233 ? -3.087 -13.518 18.328 1.00 36.72 ? 539 LEU A HD21 1 ATOM 3602 H HD22 . LEU A 1 233 ? -3.671 -14.357 17.112 1.00 36.72 ? 539 LEU A HD22 1 ATOM 3603 H HD23 . LEU A 1 233 ? -4.474 -14.278 18.480 1.00 36.72 ? 539 LEU A HD23 1 ATOM 3604 N N . VAL A 1 234 ? -6.699 -18.071 17.662 1.00 18.92 ? 540 VAL A N 1 ATOM 3605 C CA . VAL A 1 234 ? -7.420 -19.256 17.218 1.00 20.44 ? 540 VAL A CA 1 ATOM 3606 C C . VAL A 1 234 ? -6.513 -20.076 16.307 1.00 24.51 ? 540 VAL A C 1 ATOM 3607 O O . VAL A 1 234 ? -5.752 -19.535 15.491 1.00 25.35 ? 540 VAL A O 1 ATOM 3608 C CB . VAL A 1 234 ? -8.743 -18.902 16.519 1.00 25.95 ? 540 VAL A CB 1 ATOM 3609 C CG1 . VAL A 1 234 ? -9.685 -18.218 17.476 1.00 29.61 ? 540 VAL A CG1 1 ATOM 3610 C CG2 . VAL A 1 234 ? -8.505 -18.034 15.319 1.00 28.31 ? 540 VAL A CG2 1 ATOM 3611 H H . VAL A 1 234 ? -6.983 -17.325 17.342 1.00 22.70 ? 540 VAL A H 1 ATOM 3612 H HA . VAL A 1 234 ? -7.631 -19.801 17.993 1.00 24.53 ? 540 VAL A HA 1 ATOM 3613 H HB . VAL A 1 234 ? -9.168 -19.720 16.216 1.00 31.14 ? 540 VAL A HB 1 ATOM 3614 H HG11 . VAL A 1 234 ? -10.509 -18.006 17.010 1.00 35.54 ? 540 VAL A HG11 1 ATOM 3615 H HG12 . VAL A 1 234 ? -9.867 -18.814 18.219 1.00 35.54 ? 540 VAL A HG12 1 ATOM 3616 H HG13 . VAL A 1 234 ? -9.268 -17.403 17.799 1.00 35.54 ? 540 VAL A HG13 1 ATOM 3617 H HG21 . VAL A 1 234 ? -9.357 -17.830 14.903 1.00 33.98 ? 540 VAL A HG21 1 ATOM 3618 H HG22 . VAL A 1 234 ? -8.071 -17.215 15.604 1.00 33.98 ? 540 VAL A HG22 1 ATOM 3619 H HG23 . VAL A 1 234 ? -7.936 -18.510 14.694 1.00 33.98 ? 540 VAL A HG23 1 ATOM 3620 N N . GLY A 1 235 ? -6.547 -21.377 16.482 1.00 22.84 ? 541 GLY A N 1 ATOM 3621 C CA . GLY A 1 235 ? -5.915 -22.252 15.524 1.00 24.45 ? 541 GLY A CA 1 ATOM 3622 C C . GLY A 1 235 ? -6.887 -22.651 14.433 1.00 19.31 ? 541 GLY A C 1 ATOM 3623 O O . GLY A 1 235 ? -8.092 -22.403 14.500 1.00 22.92 ? 541 GLY A O 1 ATOM 3624 H H . GLY A 1 235 ? -6.926 -21.777 17.141 1.00 27.40 ? 541 GLY A H 1 ATOM 3625 H HA2 . GLY A 1 235 ? -5.157 -21.803 15.119 1.00 29.34 ? 541 GLY A HA2 1 ATOM 3626 H HA3 . GLY A 1 235 ? -5.600 -23.054 15.970 1.00 29.34 ? 541 GLY A HA3 1 ATOM 3627 N N . VAL A 1 236 ? -6.346 -23.296 13.403 1.00 25.32 ? 542 VAL A N 1 ATOM 3628 C CA . VAL A 1 236 ? -7.191 -23.842 12.351 1.00 23.70 ? 542 VAL A CA 1 ATOM 3629 C C . VAL A 1 236 ? -8.210 -24.755 12.995 1.00 22.00 ? 542 VAL A C 1 ATOM 3630 O O . VAL A 1 236 ? -7.870 -25.573 13.853 1.00 22.60 ? 542 VAL A O 1 ATOM 3631 C CB . VAL A 1 236 ? -6.331 -24.589 11.313 1.00 25.20 ? 542 VAL A CB 1 ATOM 3632 C CG1 . VAL A 1 236 ? -7.196 -25.376 10.337 1.00 34.42 ? 542 VAL A CG1 1 ATOM 3633 C CG2 . VAL A 1 236 ? -5.439 -23.603 10.578 1.00 24.92 ? 542 VAL A CG2 1 ATOM 3634 H H . VAL A 1 236 ? -5.504 -23.429 13.292 1.00 30.38 ? 542 VAL A H 1 ATOM 3635 H HA . VAL A 1 236 ? -7.660 -23.121 11.903 1.00 28.44 ? 542 VAL A HA 1 ATOM 3636 H HB . VAL A 1 236 ? -5.757 -25.219 11.777 1.00 30.24 ? 542 VAL A HB 1 ATOM 3637 H HG11 . VAL A 1 236 ? -6.621 -25.830 9.702 1.00 41.31 ? 542 VAL A HG11 1 ATOM 3638 H HG12 . VAL A 1 236 ? -7.720 -26.024 10.833 1.00 41.31 ? 542 VAL A HG12 1 ATOM 3639 H HG13 . VAL A 1 236 ? -7.784 -24.761 9.871 1.00 41.31 ? 542 VAL A HG13 1 ATOM 3640 H HG21 . VAL A 1 236 ? -4.904 -24.086 9.928 1.00 29.90 ? 542 VAL A HG21 1 ATOM 3641 H HG22 . VAL A 1 236 ? -5.996 -22.950 10.127 1.00 29.90 ? 542 VAL A HG22 1 ATOM 3642 H HG23 . VAL A 1 236 ? -4.862 -23.161 11.219 1.00 29.90 ? 542 VAL A HG23 1 ATOM 3643 N N . GLY A 1 237 ? -9.466 -24.628 12.584 1.00 20.56 ? 543 GLY A N 1 ATOM 3644 C CA . GLY A 1 237 ? -10.516 -25.484 13.099 1.00 23.36 ? 543 GLY A CA 1 ATOM 3645 C C . GLY A 1 237 ? -11.112 -25.054 14.433 1.00 23.92 ? 543 GLY A C 1 ATOM 3646 O O . GLY A 1 237 ? -12.118 -25.649 14.868 1.00 22.09 ? 543 GLY A O 1 ATOM 3647 H H . GLY A 1 237 ? -9.734 -24.050 12.006 1.00 24.68 ? 543 GLY A H 1 ATOM 3648 H HA2 . GLY A 1 237 ? -11.236 -25.521 12.450 1.00 28.03 ? 543 GLY A HA2 1 ATOM 3649 H HA3 . GLY A 1 237 ? -10.164 -26.381 13.206 1.00 28.03 ? 543 GLY A HA3 1 ATOM 3650 N N . GLU A 1 238 ? -10.551 -24.031 15.085 1.00 19.49 ? 544 GLU A N 1 ATOM 3651 C CA . GLU A 1 238 ? -10.996 -23.592 16.408 1.00 18.85 ? 544 GLU A CA 1 ATOM 3652 C C . GLU A 1 238 ? -11.892 -22.362 16.349 1.00 26.04 ? 544 GLU A C 1 ATOM 3653 O O . GLU A 1 238 ? -11.869 -21.572 15.395 1.00 20.37 ? 544 GLU A O 1 ATOM 3654 C CB . GLU A 1 238 ? -9.795 -23.254 17.283 1.00 25.20 ? 544 GLU A CB 1 ATOM 3655 C CG . GLU A 1 238 ? -8.834 -24.397 17.479 1.00 24.58 ? 544 GLU A CG 1 ATOM 3656 C CD . GLU A 1 238 ? -7.651 -23.989 18.292 1.00 31.07 ? 544 GLU A CD 1 ATOM 3657 O OE1 . GLU A 1 238 ? -7.560 -22.786 18.652 1.00 28.52 ? 544 GLU A OE1 1 ATOM 3658 O OE2 . GLU A 1 238 ? -6.804 -24.865 18.557 1.00 39.83 ? 544 GLU A OE2 1 ATOM 3659 H H . GLU A 1 238 ? -9.898 -23.567 14.773 1.00 23.39 ? 544 GLU A H 1 ATOM 3660 H HA . GLU A 1 238 ? -11.491 -24.309 16.834 1.00 22.61 ? 544 GLU A HA 1 ATOM 3661 H HB2 . GLU A 1 238 ? -9.305 -22.524 16.872 1.00 30.24 ? 544 GLU A HB2 1 ATOM 3662 H HB3 . GLU A 1 238 ? -10.113 -22.982 18.158 1.00 30.24 ? 544 GLU A HB3 1 ATOM 3663 H HG2 . GLU A 1 238 ? -9.287 -25.119 17.943 1.00 29.50 ? 544 GLU A HG2 1 ATOM 3664 H HG3 . GLU A 1 238 ? -8.518 -24.701 16.614 1.00 29.50 ? 544 GLU A HG3 1 ATOM 3665 N N . HIS A 1 239 ? -12.661 -22.190 17.417 1.00 18.92 ? 545 HIS A N 1 ATOM 3666 C CA . HIS A 1 239 ? -13.353 -20.948 17.703 1.00 15.01 ? 545 HIS A CA 1 ATOM 3667 C C . HIS A 1 239 ? -12.671 -20.180 18.825 1.00 19.74 ? 545 HIS A C 1 ATOM 3668 O O . HIS A 1 239 ? -11.844 -20.705 19.576 1.00 18.52 ? 545 HIS A O 1 ATOM 3669 C CB . HIS A 1 239 ? -14.807 -21.211 18.093 1.00 23.81 ? 545 HIS A CB 1 ATOM 3670 C CG . HIS A 1 239 ? -15.626 -21.724 16.971 1.00 20.63 ? 545 HIS A CG 1 ATOM 3671 N ND1 . HIS A 1 239 ? -15.561 -23.035 16.545 1.00 19.89 ? 545 HIS A ND1 1 ATOM 3672 C CD2 . HIS A 1 239 ? -16.468 -21.088 16.122 1.00 20.69 ? 545 HIS A CD2 1 ATOM 3673 C CE1 . HIS A 1 239 ? -16.350 -23.186 15.496 1.00 21.91 ? 545 HIS A CE1 1 ATOM 3674 N NE2 . HIS A 1 239 ? -16.922 -22.023 15.226 1.00 19.72 ? 545 HIS A NE2 1 ATOM 3675 H H . HIS A 1 239 ? -12.800 -22.800 18.006 1.00 22.71 ? 545 HIS A H 1 ATOM 3676 H HA . HIS A 1 239 ? -13.348 -20.391 16.909 1.00 18.01 ? 545 HIS A HA 1 ATOM 3677 H HB2 . HIS A 1 239 ? -14.828 -21.870 18.804 1.00 28.57 ? 545 HIS A HB2 1 ATOM 3678 H HB3 . HIS A 1 239 ? -15.206 -20.381 18.399 1.00 28.57 ? 545 HIS A HB3 1 ATOM 3679 H HD2 . HIS A 1 239 ? -16.709 -20.191 16.152 1.00 24.82 ? 545 HIS A HD2 1 ATOM 3680 H HE1 . HIS A 1 239 ? -16.497 -23.982 15.038 1.00 26.29 ? 545 HIS A HE1 1 ATOM 3681 H HE2 . HIS A 1 239 ? -17.482 -21.876 14.590 1.00 23.66 ? 545 HIS A HE2 1 ATOM 3682 N N . CYS A 1 240 ? -13.041 -18.908 18.908 1.00 17.89 ? 546 CYS A N 1 ATOM 3683 C CA . CYS A 1 240 ? -12.548 -18.025 19.948 1.00 17.95 ? 546 CYS A CA 1 ATOM 3684 C C . CYS A 1 240 ? -12.726 -18.652 21.326 1.00 17.08 ? 546 CYS A C 1 ATOM 3685 O O . CYS A 1 240 ? -13.820 -19.101 21.680 1.00 17.72 ? 546 CYS A O 1 ATOM 3686 C CB . CYS A 1 240 ? -13.312 -16.720 19.871 1.00 18.36 ? 546 CYS A CB 1 ATOM 3687 S SG . CYS A 1 240 ? -12.812 -15.502 21.142 1.00 22.13 ? 546 CYS A SG 1 ATOM 3688 H H . CYS A 1 240 ? -13.586 -18.529 18.362 1.00 21.47 ? 546 CYS A H 1 ATOM 3689 H HA . CYS A 1 240 ? -11.606 -17.844 19.806 1.00 21.54 ? 546 CYS A HA 1 ATOM 3690 H HB2 . CYS A 1 240 ? -13.162 -16.320 19.000 1.00 22.03 ? 546 CYS A HB2 1 ATOM 3691 H HB3 . CYS A 1 240 ? -14.257 -16.903 19.990 1.00 22.03 ? 546 CYS A HB3 1 ATOM 3692 N N . ALA A 1 241 ? -11.647 -18.692 22.100 1.00 17.22 ? 547 ALA A N 1 ATOM 3693 C CA . ALA A 1 241 ? -11.733 -19.336 23.423 1.00 22.03 ? 547 ALA A CA 1 ATOM 3694 C C . ALA A 1 241 ? -12.619 -18.563 24.395 1.00 21.63 ? 547 ALA A C 1 ATOM 3695 O O . ALA A 1 241 ? -13.084 -19.137 25.395 1.00 19.15 ? 547 ALA A O 1 ATOM 3696 C CB . ALA A 1 241 ? -10.346 -19.495 24.013 1.00 20.82 ? 547 ALA A CB 1 ATOM 3697 H H . ALA A 1 241 ? -10.876 -18.369 21.899 1.00 20.66 ? 547 ALA A H 1 ATOM 3698 H HA . ALA A 1 241 ? -12.113 -20.222 23.315 1.00 26.43 ? 547 ALA A HA 1 ATOM 3699 H HB1 . ALA A 1 241 ? -10.419 -19.920 24.882 1.00 24.99 ? 547 ALA A HB1 1 ATOM 3700 H HB2 . ALA A 1 241 ? -9.812 -20.046 23.419 1.00 24.99 ? 547 ALA A HB2 1 ATOM 3701 H HB3 . ALA A 1 241 ? -9.940 -18.619 24.106 1.00 24.99 ? 547 ALA A HB3 1 ATOM 3702 N N . GLY A 1 242 ? -12.877 -17.289 24.132 1.00 17.75 ? 548 GLY A N 1 ATOM 3703 C CA . GLY A 1 242 ? -13.651 -16.462 25.050 1.00 20.82 ? 548 GLY A CA 1 ATOM 3704 C C . GLY A 1 242 ? -13.227 -15.001 25.040 1.00 21.11 ? 548 GLY A C 1 ATOM 3705 O O . GLY A 1 242 ? -12.068 -14.648 24.817 1.00 18.22 ? 548 GLY A O 1 ATOM 3706 H H . GLY A 1 242 ? -12.615 -16.876 23.424 1.00 21.30 ? 548 GLY A H 1 ATOM 3707 H HA2 . GLY A 1 242 ? -14.590 -16.509 24.810 1.00 24.98 ? 548 GLY A HA2 1 ATOM 3708 H HA3 . GLY A 1 242 ? -13.549 -16.803 25.952 1.00 24.98 ? 548 GLY A HA3 1 ATOM 3709 N N . PHE A 1 243 ? -14.202 -14.130 25.276 1.00 18.47 ? 549 PHE A N 1 ATOM 3710 C CA . PHE A 1 243 ? -13.914 -12.735 25.551 1.00 16.53 ? 549 PHE A CA 1 ATOM 3711 C C . PHE A 1 243 ? -13.253 -12.605 26.927 1.00 23.62 ? 549 PHE A C 1 ATOM 3712 O O . PHE A 1 243 ? -13.607 -13.319 27.876 1.00 23.22 ? 549 PHE A O 1 ATOM 3713 C CB . PHE A 1 243 ? -15.189 -11.915 25.539 1.00 20.89 ? 549 PHE A CB 1 ATOM 3714 C CG . PHE A 1 243 ? -15.950 -11.950 24.268 1.00 21.06 ? 549 PHE A CG 1 ATOM 3715 C CD1 . PHE A 1 243 ? -15.323 -11.932 23.033 1.00 26.32 ? 549 PHE A CD1 1 ATOM 3716 C CD2 . PHE A 1 243 ? -17.325 -11.940 24.310 1.00 21.60 ? 549 PHE A CD2 1 ATOM 3717 C CE1 . PHE A 1 243 ? -16.083 -11.938 21.859 1.00 18.51 ? 549 PHE A CE1 1 ATOM 3718 C CE2 . PHE A 1 243 ? -18.066 -11.932 23.168 1.00 24.93 ? 549 PHE A CE2 1 ATOM 3719 C CZ . PHE A 1 243 ? -17.446 -11.948 21.930 1.00 23.35 ? 549 PHE A CZ 1 ATOM 3720 H H . PHE A 1 243 ? -15.040 -14.325 25.282 1.00 22.16 ? 549 PHE A H 1 ATOM 3721 H HA . PHE A 1 243 ? -13.309 -12.384 24.878 1.00 19.84 ? 549 PHE A HA 1 ATOM 3722 H HB2 . PHE A 1 243 ? -15.774 -12.246 26.239 1.00 25.06 ? 549 PHE A HB2 1 ATOM 3723 H HB3 . PHE A 1 243 ? -14.961 -10.989 25.718 1.00 25.06 ? 549 PHE A HB3 1 ATOM 3724 H HD1 . PHE A 1 243 ? -14.394 -11.932 22.984 1.00 31.59 ? 549 PHE A HD1 1 ATOM 3725 H HD2 . PHE A 1 243 ? -17.756 -11.936 25.134 1.00 25.92 ? 549 PHE A HD2 1 ATOM 3726 H HE1 . PHE A 1 243 ? -15.660 -11.941 21.030 1.00 22.22 ? 549 PHE A HE1 1 ATOM 3727 H HE2 . PHE A 1 243 ? -18.995 -11.943 23.219 1.00 29.91 ? 549 PHE A HE2 1 ATOM 3728 H HZ . PHE A 1 243 ? -17.955 -11.948 21.151 1.00 28.02 ? 549 PHE A HZ 1 ATOM 3729 N N . GLY A 1 244 ? -12.270 -11.718 27.029 1.00 21.70 ? 550 GLY A N 1 ATOM 3730 C CA . GLY A 1 244 ? -11.750 -11.357 28.336 1.00 19.64 ? 550 GLY A CA 1 ATOM 3731 C C . GLY A 1 244 ? -12.831 -10.698 29.167 1.00 20.63 ? 550 GLY A C 1 ATOM 3732 O O . GLY A 1 244 ? -13.723 -10.028 28.635 1.00 17.30 ? 550 GLY A O 1 ATOM 3733 H H . GLY A 1 244 ? -11.893 -11.318 26.367 1.00 26.04 ? 550 GLY A H 1 ATOM 3734 H HA2 . GLY A 1 244 ? -11.439 -12.151 28.799 1.00 23.57 ? 550 GLY A HA2 1 ATOM 3735 H HA3 . GLY A 1 244 ? -11.008 -10.740 28.238 1.00 23.57 ? 550 GLY A HA3 1 ATOM 3736 N N . VAL A 1 245 ? -12.807 -10.938 30.486 1.00 17.94 ? 551 VAL A N 1 ATOM 3737 C CA A VAL A 1 245 ? -13.798 -10.366 31.389 0.44 21.43 ? 551 VAL A CA 1 ATOM 3738 C CA B VAL A 1 245 ? -13.799 -10.364 31.397 0.56 21.43 ? 551 VAL A CA 1 ATOM 3739 C C . VAL A 1 245 ? -13.101 -9.403 32.339 1.00 19.80 ? 551 VAL A C 1 ATOM 3740 O O . VAL A 1 245 ? -12.047 -9.721 32.898 1.00 18.97 ? 551 VAL A O 1 ATOM 3741 C CB A VAL A 1 245 ? -14.550 -11.465 32.158 0.44 22.26 ? 551 VAL A CB 1 ATOM 3742 C CB B VAL A 1 245 ? -14.569 -11.425 32.209 0.56 22.24 ? 551 VAL A CB 1 ATOM 3743 C CG1 A VAL A 1 245 ? -15.784 -10.914 32.809 0.44 19.87 ? 551 VAL A CG1 1 ATOM 3744 C CG1 B VAL A 1 245 ? -15.341 -12.306 31.288 0.56 33.03 ? 551 VAL A CG1 1 ATOM 3745 C CG2 A VAL A 1 245 ? -14.922 -12.596 31.207 0.44 33.06 ? 551 VAL A CG2 1 ATOM 3746 C CG2 B VAL A 1 245 ? -13.649 -12.248 33.134 0.56 20.47 ? 551 VAL A CG2 1 ATOM 3747 H HA . VAL A 1 245 ? -14.445 -9.861 30.876 1.00 25.71 ? 551 VAL A HA 1 ATOM 3748 H HB A VAL A 1 245 ? -13.974 -11.825 32.851 0.44 26.71 ? 551 VAL A HB 1 ATOM 3749 H HB B VAL A 1 245 ? -15.210 -10.968 32.775 0.56 26.69 ? 551 VAL A HB 1 ATOM 3750 H HG11 A VAL A 1 245 ? -16.235 -11.629 33.284 0.44 23.84 ? 551 VAL A HG11 1 ATOM 3751 H HG11 B VAL A 1 245 ? -15.819 -12.968 31.812 0.56 39.63 ? 551 VAL A HG11 1 ATOM 3752 H HG12 A VAL A 1 245 ? -15.527 -10.214 33.429 0.44 23.84 ? 551 VAL A HG12 1 ATOM 3753 H HG12 B VAL A 1 245 ? -15.969 -11.764 30.786 0.56 39.63 ? 551 VAL A HG12 1 ATOM 3754 H HG13 A VAL A 1 245 ? -16.367 -10.552 32.123 0.44 23.84 ? 551 VAL A HG13 1 ATOM 3755 H HG13 B VAL A 1 245 ? -14.724 -12.746 30.682 0.56 39.63 ? 551 VAL A HG13 1 ATOM 3756 H HG21 A VAL A 1 245 ? -15.396 -13.282 31.703 0.44 39.67 ? 551 VAL A HG21 1 ATOM 3757 H HG21 B VAL A 1 245 ? -14.185 -12.896 33.617 0.56 24.56 ? 551 VAL A HG21 1 ATOM 3758 H HG22 A VAL A 1 245 ? -15.491 -12.243 30.505 0.44 39.67 ? 551 VAL A HG22 1 ATOM 3759 H HG22 B VAL A 1 245 ? -12.985 -12.704 32.594 0.56 24.56 ? 551 VAL A HG22 1 ATOM 3760 H HG23 A VAL A 1 245 ? -14.112 -12.965 30.823 0.44 39.67 ? 551 VAL A HG23 1 ATOM 3761 H HG23 B VAL A 1 245 ? -13.212 -11.648 33.759 0.56 24.56 ? 551 VAL A HG23 1 ATOM 3762 N N . ASP A 1 246 ? -13.687 -8.229 32.510 1.00 19.01 ? 552 ASP A N 1 ATOM 3763 C CA . ASP A 1 246 ? -13.233 -7.294 33.528 1.00 17.97 ? 552 ASP A CA 1 ATOM 3764 C C . ASP A 1 246 ? -13.639 -7.879 34.874 1.00 17.37 ? 552 ASP A C 1 ATOM 3765 O O . ASP A 1 246 ? -14.820 -7.866 35.216 1.00 19.12 ? 552 ASP A O 1 ATOM 3766 C CB . ASP A 1 246 ? -13.881 -5.933 33.333 1.00 23.64 ? 552 ASP A CB 1 ATOM 3767 C CG . ASP A 1 246 ? -13.442 -4.932 34.365 1.00 23.67 ? 552 ASP A CG 1 ATOM 3768 O OD1 . ASP A 1 246 ? -12.774 -5.324 35.343 1.00 25.38 ? 552 ASP A OD1 1 ATOM 3769 O OD2 . ASP A 1 246 ? -13.789 -3.759 34.187 1.00 23.59 ? 552 ASP A OD2 1 ATOM 3770 H H . ASP A 1 246 ? -14.355 -7.947 32.047 1.00 22.81 ? 552 ASP A H 1 ATOM 3771 H HA . ASP A 1 246 ? -12.268 -7.200 33.495 1.00 21.56 ? 552 ASP A HA 1 ATOM 3772 H HB2 . ASP A 1 246 ? -13.639 -5.589 32.459 1.00 28.37 ? 552 ASP A HB2 1 ATOM 3773 H HB3 . ASP A 1 246 ? -14.844 -6.029 33.398 1.00 28.37 ? 552 ASP A HB3 1 ATOM 3774 N N . GLU A 1 247 ? -12.681 -8.446 35.622 1.00 21.43 ? 553 GLU A N 1 ATOM 3775 C CA . GLU A 1 247 ? -13.019 -9.107 36.891 1.00 20.36 ? 553 GLU A CA 1 ATOM 3776 C C . GLU A 1 247 ? -13.585 -8.133 37.932 1.00 21.77 ? 553 GLU A C 1 ATOM 3777 O O . GLU A 1 247 ? -14.265 -8.569 38.877 1.00 21.91 ? 553 GLU A O 1 ATOM 3778 C CB . GLU A 1 247 ? -11.784 -9.812 37.423 1.00 19.55 ? 553 GLU A CB 1 ATOM 3779 C CG . GLU A 1 247 ? -11.366 -11.015 36.544 1.00 18.84 ? 553 GLU A CG 1 ATOM 3780 C CD . GLU A 1 247 ? -10.047 -11.660 36.961 1.00 24.46 ? 553 GLU A CD 1 ATOM 3781 O OE1 . GLU A 1 247 ? -9.298 -11.051 37.757 1.00 27.23 ? 553 GLU A OE1 1 ATOM 3782 O OE2 . GLU A 1 247 ? -9.739 -12.778 36.471 1.00 28.30 ? 553 GLU A OE2 1 ATOM 3783 H H . GLU A 1 247 ? -11.845 -8.463 35.422 1.00 25.72 ? 553 GLU A H 1 ATOM 3784 H HA . GLU A 1 247 ? -13.695 -9.781 36.720 1.00 24.43 ? 553 GLU A HA 1 ATOM 3785 H HB2 . GLU A 1 247 ? -11.045 -9.184 37.445 1.00 23.46 ? 553 GLU A HB2 1 ATOM 3786 H HB3 . GLU A 1 247 ? -11.968 -10.141 38.317 1.00 23.46 ? 553 GLU A HB3 1 ATOM 3787 H HG2 . GLU A 1 247 ? -12.056 -11.694 36.596 1.00 22.60 ? 553 GLU A HG2 1 ATOM 3788 H HG3 . GLU A 1 247 ? -11.270 -10.714 35.627 1.00 22.60 ? 553 GLU A HG3 1 ATOM 3789 N N . GLU A 1 248 ? -13.320 -6.821 37.782 1.00 20.82 ? 554 GLU A N 1 ATOM 3790 C CA . GLU A 1 248 ? -13.940 -5.801 38.631 1.00 24.06 ? 554 GLU A CA 1 ATOM 3791 C C . GLU A 1 248 ? -15.427 -5.656 38.384 1.00 19.48 ? 554 GLU A C 1 ATOM 3792 O O . GLU A 1 248 ? -16.079 -4.898 39.088 1.00 21.17 ? 554 GLU A O 1 ATOM 3793 C CB . GLU A 1 248 ? -13.306 -4.425 38.409 1.00 23.79 ? 554 GLU A CB 1 ATOM 3794 C CG . GLU A 1 248 ? -11.901 -4.285 38.900 1.00 34.35 ? 554 GLU A CG 1 ATOM 3795 C CD . GLU A 1 248 ? -11.744 -4.590 40.390 1.00 35.38 ? 554 GLU A CD 1 ATOM 3796 O OE1 . GLU A 1 248 ? -12.419 -3.985 41.254 1.00 40.01 ? 554 GLU A OE1 1 ATOM 3797 O OE2 . GLU A 1 248 ? -10.916 -5.445 40.696 1.00 27.62 ? 554 GLU A OE2 1 ATOM 3798 H H . GLU A 1 248 ? -12.782 -6.502 37.192 1.00 24.98 ? 554 GLU A H 1 ATOM 3799 H HA . GLU A 1 248 ? -13.812 -6.045 39.561 1.00 28.87 ? 554 GLU A HA 1 ATOM 3800 H HB2 . GLU A 1 248 ? -13.303 -4.237 37.457 1.00 28.54 ? 554 GLU A HB2 1 ATOM 3801 H HB3 . GLU A 1 248 ? -13.844 -3.761 38.869 1.00 28.54 ? 554 GLU A HB3 1 ATOM 3802 H HG2 . GLU A 1 248 ? -11.335 -4.901 38.409 1.00 41.22 ? 554 GLU A HG2 1 ATOM 3803 H HG3 . GLU A 1 248 ? -11.606 -3.374 38.750 1.00 41.22 ? 554 GLU A HG3 1 ATOM 3804 N N . LYS A 1 249 ? -15.975 -6.315 37.375 1.00 19.15 ? 555 LYS A N 1 ATOM 3805 C CA . LYS A 1 249 ? -17.409 -6.276 37.128 1.00 22.47 ? 555 LYS A CA 1 ATOM 3806 C C . LYS A 1 249 ? -18.035 -7.648 37.316 1.00 19.49 ? 555 LYS A C 1 ATOM 3807 O O . LYS A 1 249 ? -19.110 -7.929 36.773 1.00 25.41 ? 555 LYS A O 1 ATOM 3808 C CB . LYS A 1 249 ? -17.692 -5.724 35.731 1.00 23.09 ? 555 LYS A CB 1 ATOM 3809 C CG . LYS A 1 249 ? -17.353 -4.273 35.603 1.00 22.25 ? 555 LYS A CG 1 ATOM 3810 C CD . LYS A 1 249 ? -17.659 -3.710 34.258 1.00 29.05 ? 555 LYS A CD 1 ATOM 3811 C CE . LYS A 1 249 ? -17.533 -2.187 34.277 1.00 39.74 ? 555 LYS A CE 1 ATOM 3812 N NZ . LYS A 1 249 ? -17.916 -1.656 32.966 1.00 60.49 ? 555 LYS A NZ 1 ATOM 3813 H H . LYS A 1 249 ? -15.536 -6.796 36.814 1.00 22.98 ? 555 LYS A H 1 ATOM 3814 H HA . LYS A 1 249 ? -17.818 -5.676 37.770 1.00 26.97 ? 555 LYS A HA 1 ATOM 3815 H HB2 . LYS A 1 249 ? -17.161 -6.215 35.084 1.00 27.70 ? 555 LYS A HB2 1 ATOM 3816 H HB3 . LYS A 1 249 ? -18.636 -5.831 35.534 1.00 27.70 ? 555 LYS A HB3 1 ATOM 3817 H HG2 . LYS A 1 249 ? -17.864 -3.772 36.258 1.00 26.70 ? 555 LYS A HG2 1 ATOM 3818 H HG3 . LYS A 1 249 ? -16.404 -4.157 35.765 1.00 26.70 ? 555 LYS A HG3 1 ATOM 3819 H HD2 . LYS A 1 249 ? -17.031 -4.063 33.609 1.00 34.86 ? 555 LYS A HD2 1 ATOM 3820 H HD3 . LYS A 1 249 ? -18.568 -3.940 34.010 1.00 34.86 ? 555 LYS A HD3 1 ATOM 3821 H HE2 . LYS A 1 249 ? -18.127 -1.817 34.948 1.00 47.69 ? 555 LYS A HE2 1 ATOM 3822 H HE3 . LYS A 1 249 ? -16.613 -1.937 34.457 1.00 47.69 ? 555 LYS A HE3 1 ATOM 3823 H HZ1 . LYS A 1 249 ? -17.846 -0.769 32.965 1.00 72.59 ? 555 LYS A HZ1 1 ATOM 3824 H HZ2 . LYS A 1 249 ? -17.383 -1.988 32.336 1.00 72.59 ? 555 LYS A HZ2 1 ATOM 3825 H HZ3 . LYS A 1 249 ? -18.757 -1.880 32.781 1.00 72.59 ? 555 LYS A HZ3 1 ATOM 3826 N N . CYS A 1 250 ? -17.366 -8.511 38.067 1.00 22.73 ? 556 CYS A N 1 ATOM 3827 C CA . CYS A 1 250 ? -17.872 -9.831 38.405 1.00 23.24 ? 556 CYS A CA 1 ATOM 3828 C C . CYS A 1 250 ? -18.053 -9.915 39.915 1.00 23.31 ? 556 CYS A C 1 ATOM 3829 O O . CYS A 1 250 ? -17.133 -9.574 40.666 1.00 25.38 ? 556 CYS A O 1 ATOM 3830 C CB . CYS A 1 250 ? -16.911 -10.906 37.945 1.00 22.20 ? 556 CYS A CB 1 ATOM 3831 S SG . CYS A 1 250 ? -16.525 -10.857 36.171 1.00 23.19 ? 556 CYS A SG 1 ATOM 3832 H H . CYS A 1 250 ? -16.591 -8.348 38.403 1.00 27.28 ? 556 CYS A H 1 ATOM 3833 H HA . CYS A 1 250 ? -18.731 -9.974 37.978 1.00 27.89 ? 556 CYS A HA 1 ATOM 3834 H HB2 . CYS A 1 250 ? -16.078 -10.806 38.431 1.00 26.64 ? 556 CYS A HB2 1 ATOM 3835 H HB3 . CYS A 1 250 ? -17.300 -11.774 38.138 1.00 26.64 ? 556 CYS A HB3 1 ATOM 3836 N N . GLY A 1 251 ? -19.209 -10.403 40.349 1.00 22.25 ? 557 GLY A N 1 ATOM 3837 C CA . GLY A 1 251 ? -19.590 -10.296 41.737 1.00 26.74 ? 557 GLY A CA 1 ATOM 3838 C C . GLY A 1 251 ? -20.290 -8.989 41.993 1.00 26.04 ? 557 GLY A C 1 ATOM 3839 O O . GLY A 1 251 ? -20.574 -8.207 41.075 1.00 24.11 ? 557 GLY A O 1 ATOM 3840 H H . GLY A 1 251 ? -19.788 -10.800 39.852 1.00 26.69 ? 557 GLY A H 1 ATOM 3841 H HA2 . GLY A 1 251 ? -20.187 -11.023 41.972 1.00 32.09 ? 557 GLY A HA2 1 ATOM 3842 H HA3 . GLY A 1 251 ? -18.801 -10.343 42.300 1.00 32.09 ? 557 GLY A HA3 1 ATOM 3843 N N . VAL A 1 252 ? -20.526 -8.722 43.280 1.00 22.74 ? 558 VAL A N 1 ATOM 3844 C CA . VAL A 1 252 ? -21.146 -7.478 43.719 1.00 23.74 ? 558 VAL A CA 1 ATOM 3845 C C . VAL A 1 252 ? -20.401 -6.913 44.922 1.00 23.49 ? 558 VAL A C 1 ATOM 3846 O O . VAL A 1 252 ? -19.817 -7.646 45.730 1.00 22.08 ? 558 VAL A O 1 ATOM 3847 C CB . VAL A 1 252 ? -22.632 -7.677 44.062 1.00 36.92 ? 558 VAL A CB 1 ATOM 3848 C CG1 . VAL A 1 252 ? -23.396 -8.130 42.827 1.00 46.47 ? 558 VAL A CG1 1 ATOM 3849 C CG2 . VAL A 1 252 ? -22.785 -8.680 45.165 1.00 32.51 ? 558 VAL A CG2 1 ATOM 3850 H H . VAL A 1 252 ? -20.331 -9.257 43.924 1.00 27.29 ? 558 VAL A H 1 ATOM 3851 H HA . VAL A 1 252 ? -21.090 -6.828 43.000 1.00 28.49 ? 558 VAL A HA 1 ATOM 3852 H HB . VAL A 1 252 ? -23.008 -6.835 44.362 1.00 44.31 ? 558 VAL A HB 1 ATOM 3853 H HG11 . VAL A 1 252 ? -24.330 -8.251 43.061 1.00 55.77 ? 558 VAL A HG11 1 ATOM 3854 H HG12 . VAL A 1 252 ? -23.312 -7.452 42.138 1.00 55.77 ? 558 VAL A HG12 1 ATOM 3855 H HG13 . VAL A 1 252 ? -23.022 -8.968 42.514 1.00 55.77 ? 558 VAL A HG13 1 ATOM 3856 H HG21 . VAL A 1 252 ? -23.728 -8.788 45.364 1.00 39.01 ? 558 VAL A HG21 1 ATOM 3857 H HG22 . VAL A 1 252 ? -22.407 -9.525 44.877 1.00 39.01 ? 558 VAL A HG22 1 ATOM 3858 H HG23 . VAL A 1 252 ? -22.316 -8.358 45.951 1.00 39.01 ? 558 VAL A HG23 1 ATOM 3859 N N . LEU A 1 253 ? -20.423 -5.595 45.033 1.00 23.02 ? 559 LEU A N 1 ATOM 3860 C CA . LEU A 1 253 ? -19.796 -4.948 46.174 1.00 29.08 ? 559 LEU A CA 1 ATOM 3861 C C . LEU A 1 253 ? -20.450 -5.447 47.453 1.00 22.57 ? 559 LEU A C 1 ATOM 3862 O O . LEU A 1 253 ? -21.673 -5.404 47.592 1.00 29.23 ? 559 LEU A O 1 ATOM 3863 C CB . LEU A 1 253 ? -19.914 -3.430 46.057 1.00 32.07 ? 559 LEU A CB 1 ATOM 3864 C CG . LEU A 1 253 ? -18.690 -2.738 45.483 1.00 47.64 ? 559 LEU A CG 1 ATOM 3865 C CD1 . LEU A 1 253 ? -19.016 -1.271 45.214 1.00 54.97 ? 559 LEU A CD1 1 ATOM 3866 C CD2 . LEU A 1 253 ? -17.521 -2.849 46.448 1.00 45.20 ? 559 LEU A CD2 1 ATOM 3867 H H . LEU A 1 253 ? -20.789 -5.058 44.470 1.00 27.63 ? 559 LEU A H 1 ATOM 3868 H HA . LEU A 1 253 ? -18.855 -5.181 46.200 1.00 34.90 ? 559 LEU A HA 1 ATOM 3869 H HB2 . LEU A 1 253 ? -20.665 -3.222 45.480 1.00 38.49 ? 559 LEU A HB2 1 ATOM 3870 H HB3 . LEU A 1 253 ? -20.070 -3.063 46.941 1.00 38.49 ? 559 LEU A HB3 1 ATOM 3871 H HG . LEU A 1 253 ? -18.442 -3.159 44.645 1.00 57.17 ? 559 LEU A HG 1 ATOM 3872 H HD11 . LEU A 1 253 ? -18.230 -0.836 44.848 1.00 65.97 ? 559 LEU A HD11 1 ATOM 3873 H HD12 . LEU A 1 253 ? -19.748 -1.222 44.579 1.00 65.97 ? 559 LEU A HD12 1 ATOM 3874 H HD13 . LEU A 1 253 ? -19.271 -0.847 46.048 1.00 65.97 ? 559 LEU A HD13 1 ATOM 3875 H HD21 . LEU A 1 253 ? -16.751 -2.402 46.063 1.00 54.24 ? 559 LEU A HD21 1 ATOM 3876 H HD22 . LEU A 1 253 ? -17.764 -2.428 47.287 1.00 54.24 ? 559 LEU A HD22 1 ATOM 3877 H HD23 . LEU A 1 253 ? -17.321 -3.787 46.593 1.00 54.24 ? 559 LEU A HD23 1 ATOM 3878 N N . ASP A 1 254 ? -19.639 -6.005 48.343 1.00 26.95 ? 560 ASP A N 1 ATOM 3879 C CA . ASP A 1 254 ? -20.103 -6.588 49.593 1.00 33.99 ? 560 ASP A CA 1 ATOM 3880 C C . ASP A 1 254 ? -20.914 -7.851 49.375 1.00 36.10 ? 560 ASP A C 1 ATOM 3881 O O . ASP A 1 254 ? -21.686 -8.264 50.253 1.00 27.59 ? 560 ASP A O 1 ATOM 3882 C CB . ASP A 1 254 ? -20.897 -5.562 50.412 1.00 32.00 ? 560 ASP A CB 1 ATOM 3883 C CG . ASP A 1 254 ? -19.990 -4.550 51.072 1.00 42.76 ? 560 ASP A CG 1 ATOM 3884 O OD1 . ASP A 1 254 ? -18.943 -4.992 51.615 1.00 34.63 ? 560 ASP A OD1 1 ATOM 3885 O OD2 . ASP A 1 254 ? -20.311 -3.343 51.035 1.00 41.98 ? 560 ASP A OD2 1 ATOM 3886 H H . ASP A 1 254 ? -18.786 -6.060 48.240 1.00 32.34 ? 560 ASP A H 1 ATOM 3887 H HA . ASP A 1 254 ? -19.326 -6.834 50.119 1.00 40.79 ? 560 ASP A HA 1 ATOM 3888 H HB2 . ASP A 1 254 ? -21.505 -5.087 49.825 1.00 38.40 ? 560 ASP A HB2 1 ATOM 3889 H HB3 . ASP A 1 254 ? -21.393 -6.023 51.107 1.00 38.40 ? 560 ASP A HB3 1 ATOM 3890 N N . GLY A 1 255 ? -20.717 -8.501 48.232 1.00 25.23 ? 561 GLY A N 1 ATOM 3891 C CA . GLY A 1 255 ? -21.370 -9.769 47.989 1.00 25.95 ? 561 GLY A CA 1 ATOM 3892 C C . GLY A 1 255 ? -20.860 -10.830 48.946 1.00 26.71 ? 561 GLY A C 1 ATOM 3893 O O . GLY A 1 255 ? -19.659 -10.976 49.170 1.00 27.48 ? 561 GLY A O 1 ATOM 3894 H H . GLY A 1 255 ? -20.214 -8.228 47.591 1.00 30.27 ? 561 GLY A H 1 ATOM 3895 H HA2 . GLY A 1 255 ? -22.328 -9.674 48.110 1.00 31.14 ? 561 GLY A HA2 1 ATOM 3896 H HA3 . GLY A 1 255 ? -21.196 -10.059 47.080 1.00 31.14 ? 561 GLY A HA3 1 ATOM 3897 N N . SER A 1 256 ? -21.783 -11.585 49.498 1.00 29.78 ? 562 SER A N 1 ATOM 3898 C CA . SER A 1 256 ? -21.437 -12.653 50.417 1.00 29.67 ? 562 SER A CA 1 ATOM 3899 C C . SER A 1 256 ? -21.459 -14.006 49.714 1.00 27.62 ? 562 SER A C 1 ATOM 3900 O O . SER A 1 256 ? -21.670 -14.114 48.492 1.00 25.13 ? 562 SER A O 1 ATOM 3901 C CB . SER A 1 256 ? -22.415 -12.623 51.588 1.00 46.72 ? 562 SER A CB 1 ATOM 3902 O OG . SER A 1 256 ? -23.733 -12.814 51.090 1.00 45.79 ? 562 SER A OG 1 ATOM 3903 H H . SER A 1 256 ? -22.627 -11.502 49.357 1.00 35.73 ? 562 SER A H 1 ATOM 3904 H HA . SER A 1 256 ? -20.543 -12.503 50.763 1.00 35.60 ? 562 SER A HA 1 ATOM 3905 H HB2 . SER A 1 256 ? -22.198 -13.337 52.207 1.00 56.06 ? 562 SER A HB2 1 ATOM 3906 H HB3 . SER A 1 256 ? -22.361 -11.762 52.032 1.00 56.06 ? 562 SER A HB3 1 ATOM 3907 H HG . SER A 1 256 ? -23.787 -13.555 50.697 1.00 54.95 ? 562 SER A HG 1 ATOM 3908 N N . TYR A 1 257 ? -21.293 -15.071 50.500 1.00 27.79 ? 563 TYR A N 1 ATOM 3909 C CA . TYR A 1 257 ? -21.328 -16.410 49.946 1.00 22.38 ? 563 TYR A CA 1 ATOM 3910 C C . TYR A 1 257 ? -22.719 -16.823 49.490 1.00 29.20 ? 563 TYR A C 1 ATOM 3911 O O . TYR A 1 257 ? -22.842 -17.877 48.862 1.00 27.02 ? 563 TYR A O 1 ATOM 3912 C CB . TYR A 1 257 ? -20.766 -17.428 50.964 1.00 26.24 ? 563 TYR A CB 1 ATOM 3913 C CG . TYR A 1 257 ? -19.312 -17.168 51.260 1.00 27.82 ? 563 TYR A CG 1 ATOM 3914 C CD1 . TYR A 1 257 ? -18.318 -17.676 50.434 1.00 21.43 ? 563 TYR A CD1 1 ATOM 3915 C CD2 . TYR A 1 257 ? -18.929 -16.361 52.337 1.00 28.16 ? 563 TYR A CD2 1 ATOM 3916 C CE1 . TYR A 1 257 ? -16.978 -17.411 50.676 1.00 24.23 ? 563 TYR A CE1 1 ATOM 3917 C CE2 . TYR A 1 257 ? -17.583 -16.084 52.586 1.00 21.75 ? 563 TYR A CE2 1 ATOM 3918 C CZ . TYR A 1 257 ? -16.615 -16.607 51.746 1.00 21.43 ? 563 TYR A CZ 1 ATOM 3919 O OH . TYR A 1 257 ? -15.285 -16.340 51.974 1.00 23.67 ? 563 TYR A OH 1 ATOM 3920 H H . TYR A 1 257 ? -21.159 -15.039 51.349 1.00 33.34 ? 563 TYR A H 1 ATOM 3921 H HA . TYR A 1 257 ? -20.751 -16.432 49.167 1.00 26.86 ? 563 TYR A HA 1 ATOM 3922 H HB2 . TYR A 1 257 ? -21.262 -17.358 51.795 1.00 31.49 ? 563 TYR A HB2 1 ATOM 3923 H HB3 . TYR A 1 257 ? -20.846 -18.323 50.599 1.00 31.49 ? 563 TYR A HB3 1 ATOM 3924 H HD1 . TYR A 1 257 ? -18.555 -18.206 49.707 1.00 25.71 ? 563 TYR A HD1 1 ATOM 3925 H HD2 . TYR A 1 257 ? -19.581 -15.999 52.893 1.00 33.79 ? 563 TYR A HD2 1 ATOM 3926 H HE1 . TYR A 1 257 ? -16.325 -17.760 50.112 1.00 29.07 ? 563 TYR A HE1 1 ATOM 3927 H HE2 . TYR A 1 257 ? -17.340 -15.547 53.306 1.00 26.10 ? 563 TYR A HE2 1 ATOM 3928 H HH . TYR A 1 257 ? -15.203 -15.845 52.647 1.00 28.40 ? 563 TYR A HH 1 ATOM 3929 N N . ASN A 1 258 ? -23.759 -16.046 49.773 1.00 25.30 ? 564 ASN A N 1 ATOM 3930 C CA A ASN A 1 258 ? -25.091 -16.375 49.280 0.43 30.62 ? 564 ASN A CA 1 ATOM 3931 C CA B ASN A 1 258 ? -25.103 -16.350 49.289 0.57 30.63 ? 564 ASN A CA 1 ATOM 3932 C C . ASN A 1 258 ? -25.364 -15.825 47.877 1.00 31.42 ? 564 ASN A C 1 ATOM 3933 O O . ASN A 1 258 ? -26.463 -16.018 47.361 1.00 30.06 ? 564 ASN A O 1 ATOM 3934 C CB A ASN A 1 258 ? -26.160 -15.875 50.252 0.43 33.38 ? 564 ASN A CB 1 ATOM 3935 C CB B ASN A 1 258 ? -26.167 -15.758 50.235 0.57 33.29 ? 564 ASN A CB 1 ATOM 3936 C CG A ASN A 1 258 ? -26.266 -14.392 50.275 0.43 25.90 ? 564 ASN A CG 1 ATOM 3937 C CG B ASN A 1 258 ? -27.550 -16.368 50.017 0.57 32.31 ? 564 ASN A CG 1 ATOM 3938 O OD1 A ASN A 1 258 ? -25.260 -13.687 50.206 0.43 32.76 ? 564 ASN A OD1 1 ATOM 3939 O OD1 B ASN A 1 258 ? -27.664 -17.518 49.623 0.57 40.21 ? 564 ASN A OD1 1 ATOM 3940 N ND2 A ASN A 1 258 ? -27.490 -13.889 50.363 0.43 39.33 ? 564 ASN A ND2 1 ATOM 3941 N ND2 B ASN A 1 258 ? -28.602 -15.591 50.263 0.57 34.01 ? 564 ASN A ND2 1 ATOM 3942 H H . ASN A 1 258 ? -23.719 -15.329 50.246 1.00 30.36 ? 564 ASN A H 1 ATOM 3943 H HA . ASN A 1 258 ? -25.195 -17.327 49.253 1.00 36.75 ? 564 ASN A HA 1 ATOM 3944 H HB2 A ASN A 1 258 ? -27.022 -16.233 49.986 0.43 40.06 ? 564 ASN A HB2 1 ATOM 3945 H HB2 B ASN A 1 258 ? -25.904 -15.928 51.153 0.57 39.95 ? 564 ASN A HB2 1 ATOM 3946 H HB3 A ASN A 1 258 ? -25.938 -16.174 51.147 0.43 40.06 ? 564 ASN A HB3 1 ATOM 3947 H HB3 B ASN A 1 258 ? -26.232 -14.802 50.080 0.57 39.95 ? 564 ASN A HB3 1 ATOM 3948 H HD21 A ASN A 1 258 ? -27.604 -13.037 50.380 0.43 47.20 ? 564 ASN A HD21 1 ATOM 3949 H HD21 B ASN A 1 258 ? -29.398 -15.897 50.152 0.57 40.82 ? 564 ASN A HD21 1 ATOM 3950 H HD22 A ASN A 1 258 ? -28.169 -14.415 50.402 0.43 47.20 ? 564 ASN A HD22 1 ATOM 3951 H HD22 B ASN A 1 258 ? -28.485 -14.782 50.532 0.57 40.82 ? 564 ASN A HD22 1 ATOM 3952 N N . VAL A 1 259 ? -24.404 -15.151 47.251 1.00 27.62 ? 565 VAL A N 1 ATOM 3953 C CA . VAL A 1 259 ? -24.540 -14.684 45.860 1.00 25.18 ? 565 VAL A CA 1 ATOM 3954 C C . VAL A 1 259 ? -23.558 -15.480 45.009 1.00 29.57 ? 565 VAL A C 1 ATOM 3955 O O . VAL A 1 259 ? -22.394 -15.660 45.390 1.00 29.00 ? 565 VAL A O 1 ATOM 3956 C CB . VAL A 1 259 ? -24.326 -13.166 45.728 1.00 36.80 ? 565 VAL A CB 1 ATOM 3957 C CG1 . VAL A 1 259 ? -23.042 -12.761 46.282 1.00 36.85 ? 565 VAL A CG1 1 ATOM 3958 C CG2 . VAL A 1 259 ? -24.397 -12.728 44.270 1.00 35.12 ? 565 VAL A CG2 1 ATOM 3959 H H . VAL A 1 259 ? -23.651 -14.945 47.611 1.00 33.14 ? 565 VAL A H 1 ATOM 3960 H HA . VAL A 1 259 ? -25.436 -14.886 45.547 1.00 30.21 ? 565 VAL A HA 1 ATOM 3961 H HB . VAL A 1 259 ? -25.024 -12.703 46.217 1.00 44.16 ? 565 VAL A HB 1 ATOM 3962 H HG11 . VAL A 1 259 ? -22.944 -11.801 46.181 1.00 44.22 ? 565 VAL A HG11 1 ATOM 3963 H HG12 . VAL A 1 259 ? -23.014 -13.000 47.221 1.00 44.22 ? 565 VAL A HG12 1 ATOM 3964 H HG13 . VAL A 1 259 ? -22.334 -13.219 45.802 1.00 44.22 ? 565 VAL A HG13 1 ATOM 3965 H HG21 . VAL A 1 259 ? -24.259 -11.769 44.222 1.00 42.15 ? 565 VAL A HG21 1 ATOM 3966 H HG22 . VAL A 1 259 ? -23.706 -13.188 43.768 1.00 42.15 ? 565 VAL A HG22 1 ATOM 3967 H HG23 . VAL A 1 259 ? -25.271 -12.954 43.915 1.00 42.15 ? 565 VAL A HG23 1 ATOM 3968 N N . SER A 1 260 ? -24.049 -16.007 43.887 1.00 26.33 ? 566 SER A N 1 ATOM 3969 C CA . SER A 1 260 ? -23.216 -16.767 42.965 1.00 30.82 ? 566 SER A CA 1 ATOM 3970 C C . SER A 1 260 ? -22.450 -15.837 42.029 1.00 21.99 ? 566 SER A C 1 ATOM 3971 O O . SER A 1 260 ? -22.964 -14.807 41.600 1.00 24.58 ? 566 SER A O 1 ATOM 3972 C CB . SER A 1 260 ? -24.065 -17.732 42.140 1.00 35.57 ? 566 SER A CB 1 ATOM 3973 O OG . SER A 1 260 ? -24.584 -18.758 42.968 1.00 57.14 ? 566 SER A OG 1 ATOM 3974 H H . SER A 1 260 ? -24.869 -15.937 43.638 1.00 31.59 ? 566 SER A H 1 ATOM 3975 H HA . SER A 1 260 ? -22.571 -17.286 43.471 1.00 36.98 ? 566 SER A HA 1 ATOM 3976 H HB2 . SER A 1 260 ? -24.801 -17.245 41.738 1.00 42.69 ? 566 SER A HB2 1 ATOM 3977 H HB3 . SER A 1 260 ? -23.512 -18.131 41.449 1.00 42.69 ? 566 SER A HB3 1 ATOM 3978 H HG . SER A 1 260 ? -25.050 -19.287 42.511 1.00 68.57 ? 566 SER A HG 1 ATOM 3979 N N . CYS A 1 261 ? -21.212 -16.215 41.730 1.00 25.04 ? 567 CYS A N 1 ATOM 3980 C CA . CYS A 1 261 ? -20.325 -15.370 40.956 1.00 27.44 ? 567 CYS A CA 1 ATOM 3981 C C . CYS A 1 261 ? -20.852 -15.265 39.535 1.00 27.21 ? 567 CYS A C 1 ATOM 3982 O O . CYS A 1 261 ? -21.002 -16.280 38.849 1.00 25.86 ? 567 CYS A O 1 ATOM 3983 C CB . CYS A 1 261 ? -18.914 -15.933 40.949 1.00 24.49 ? 567 CYS A CB 1 ATOM 3984 S SG . CYS A 1 261 ? -17.810 -14.960 39.850 1.00 24.73 ? 567 CYS A SG 1 ATOM 3985 H H . CYS A 1 261 ? -20.862 -16.964 41.969 1.00 30.04 ? 567 CYS A H 1 ATOM 3986 H HA . CYS A 1 261 ? -20.302 -14.481 41.343 1.00 32.93 ? 567 CYS A HA 1 ATOM 3987 H HB2 . CYS A 1 261 ? -18.552 -15.903 41.848 1.00 29.39 ? 567 CYS A HB2 1 ATOM 3988 H HB3 . CYS A 1 261 ? -18.935 -16.848 40.626 1.00 29.39 ? 567 CYS A HB3 1 ATOM 3989 N N . LEU A 1 262 ? -21.117 -14.038 39.112 1.00 23.26 ? 568 LEU A N 1 ATOM 3990 C CA . LEU A 1 262 ? -21.674 -13.733 37.808 1.00 30.43 ? 568 LEU A CA 1 ATOM 3991 C C . LEU A 1 262 ? -21.118 -12.383 37.365 1.00 25.32 ? 568 LEU A C 1 ATOM 3992 O O . LEU A 1 262 ? -20.944 -11.478 38.183 1.00 28.52 ? 568 LEU A O 1 ATOM 3993 C CB . LEU A 1 262 ? -23.199 -13.712 37.911 1.00 40.29 ? 568 LEU A CB 1 ATOM 3994 C CG . LEU A 1 262 ? -24.123 -13.608 36.719 1.00 60.14 ? 568 LEU A CG 1 ATOM 3995 C CD1 . LEU A 1 262 ? -25.417 -14.318 37.089 1.00 63.69 ? 568 LEU A CD1 1 ATOM 3996 C CD2 . LEU A 1 262 ? -24.373 -12.148 36.389 1.00 74.40 ? 568 LEU A CD2 1 ATOM 3997 H H . LEU A 1 262 ? -20.976 -13.335 39.588 1.00 27.91 ? 568 LEU A H 1 ATOM 3998 H HA . LEU A 1 262 ? -21.409 -14.411 37.167 1.00 36.52 ? 568 LEU A HA 1 ATOM 3999 H HB2 . LEU A 1 262 ? -23.456 -14.527 38.369 1.00 48.35 ? 568 LEU A HB2 1 ATOM 4000 H HB3 . LEU A 1 262 ? -23.426 -12.962 38.482 1.00 48.35 ? 568 LEU A HB3 1 ATOM 4001 H HG . LEU A 1 262 ? -23.727 -14.046 35.949 1.00 72.16 ? 568 LEU A HG 1 ATOM 4002 H HD11 . LEU A 1 262 ? -26.030 -14.267 36.339 1.00 76.42 ? 568 LEU A HD11 1 ATOM 4003 H HD12 . LEU A 1 262 ? -25.220 -15.246 37.293 1.00 76.42 ? 568 LEU A HD12 1 ATOM 4004 H HD13 . LEU A 1 262 ? -25.804 -13.884 37.865 1.00 76.42 ? 568 LEU A HD13 1 ATOM 4005 H HD21 . LEU A 1 262 ? -24.967 -12.095 35.624 1.00 89.29 ? 568 LEU A HD21 1 ATOM 4006 H HD22 . LEU A 1 262 ? -24.782 -11.718 37.156 1.00 89.29 ? 568 LEU A HD22 1 ATOM 4007 H HD23 . LEU A 1 262 ? -23.526 -11.722 36.183 1.00 89.29 ? 568 LEU A HD23 1 ATOM 4008 N N . CYS A 1 263 ? -20.825 -12.259 36.076 1.00 25.67 ? 569 CYS A N 1 ATOM 4009 C CA . CYS A 1 263 ? -20.267 -11.045 35.501 1.00 23.25 ? 569 CYS A CA 1 ATOM 4010 C C . CYS A 1 263 ? -21.342 -10.317 34.707 1.00 24.75 ? 569 CYS A C 1 ATOM 4011 O O . CYS A 1 263 ? -22.127 -10.946 33.998 1.00 27.29 ? 569 CYS A O 1 ATOM 4012 C CB . CYS A 1 263 ? -19.093 -11.383 34.583 1.00 28.97 ? 569 CYS A CB 1 ATOM 4013 S SG . CYS A 1 263 ? -17.767 -12.308 35.382 1.00 27.06 ? 569 CYS A SG 1 ATOM 4014 H H . CYS A 1 263 ? -20.946 -12.884 35.498 1.00 30.80 ? 569 CYS A H 1 ATOM 4015 H HA . CYS A 1 263 ? -19.952 -10.461 36.209 1.00 27.90 ? 569 CYS A HA 1 ATOM 4016 H HB2 . CYS A 1 263 ? -19.421 -11.918 33.843 1.00 34.77 ? 569 CYS A HB2 1 ATOM 4017 H HB3 . CYS A 1 263 ? -18.714 -10.557 34.246 1.00 34.77 ? 569 CYS A HB3 1 ATOM 4018 N N . SER A 1 264 ? -21.396 -8.999 34.843 1.00 27.13 ? 570 SER A N 1 ATOM 4019 C CA . SER A 1 264 ? -22.384 -8.253 34.094 1.00 27.84 ? 570 SER A CA 1 ATOM 4020 C C . SER A 1 264 ? -22.066 -8.345 32.595 1.00 33.25 ? 570 SER A C 1 ATOM 4021 O O . SER A 1 264 ? -20.942 -8.657 32.189 1.00 22.41 ? 570 SER A O 1 ATOM 4022 C CB . SER A 1 264 ? -22.404 -6.805 34.551 1.00 33.24 ? 570 SER A CB 1 ATOM 4023 O OG . SER A 1 264 ? -21.154 -6.200 34.301 1.00 31.49 ? 570 SER A OG 1 ATOM 4024 H H . SER A 1 264 ? -20.885 -8.527 35.349 1.00 32.55 ? 570 SER A H 1 ATOM 4025 H HA . SER A 1 264 ? -23.262 -8.636 34.246 1.00 33.41 ? 570 SER A HA 1 ATOM 4026 H HB2 . SER A 1 264 ? -23.093 -6.326 34.063 1.00 39.89 ? 570 SER A HB2 1 ATOM 4027 H HB3 . SER A 1 264 ? -22.587 -6.774 35.503 1.00 39.89 ? 570 SER A HB3 1 ATOM 4028 H HG . SER A 1 264 ? -20.983 -6.223 33.478 1.00 37.78 ? 570 SER A HG 1 ATOM 4029 N N . THR A 1 265 ? -23.074 -8.069 31.772 1.00 34.13 ? 571 THR A N 1 ATOM 4030 C CA . THR A 1 265 ? -22.900 -8.214 30.326 1.00 40.94 ? 571 THR A CA 1 ATOM 4031 C C . THR A 1 265 ? -21.756 -7.342 29.823 1.00 29.74 ? 571 THR A C 1 ATOM 4032 O O . THR A 1 265 ? -20.938 -7.781 29.001 1.00 32.30 ? 571 THR A O 1 ATOM 4033 C CB . THR A 1 265 ? -24.189 -7.843 29.587 1.00 50.71 ? 571 THR A CB 1 ATOM 4034 O OG1 . THR A 1 265 ? -24.637 -6.557 30.034 1.00 53.97 ? 571 THR A OG1 1 ATOM 4035 C CG2 . THR A 1 265 ? -25.275 -8.875 29.823 1.00 48.38 ? 571 THR A CG2 1 ATOM 4036 H H . THR A 1 265 ? -23.854 -7.802 32.017 1.00 40.96 ? 571 THR A H 1 ATOM 4037 H HA . THR A 1 265 ? -22.689 -9.138 30.121 1.00 49.13 ? 571 THR A HA 1 ATOM 4038 H HB . THR A 1 265 ? -24.010 -7.805 28.634 1.00 60.85 ? 571 THR A HB 1 ATOM 4039 H HG1 . THR A 1 265 ? -25.345 -6.344 29.634 1.00 64.76 ? 571 THR A HG1 1 ATOM 4040 H HG21 . THR A 1 265 ? -26.081 -8.622 29.347 1.00 58.06 ? 571 THR A HG21 1 ATOM 4041 H HG22 . THR A 1 265 ? -24.981 -9.743 29.506 1.00 58.06 ? 571 THR A HG22 1 ATOM 4042 H HG23 . THR A 1 265 ? -25.474 -8.935 30.770 1.00 58.06 ? 571 THR A HG23 1 ATOM 4043 N N . ASP A 1 266 ? -21.681 -6.109 30.303 1.00 32.48 ? 572 ASP A N 1 ATOM 4044 C CA . ASP A 1 266 ? -20.629 -5.208 29.872 1.00 31.08 ? 572 ASP A CA 1 ATOM 4045 C C . ASP A 1 266 ? -19.264 -5.571 30.434 1.00 25.64 ? 572 ASP A C 1 ATOM 4046 O O . ASP A 1 266 ? -18.294 -4.888 30.106 1.00 26.37 ? 572 ASP A O 1 ATOM 4047 C CB . ASP A 1 266 ? -20.993 -3.775 30.250 1.00 31.56 ? 572 ASP A CB 1 ATOM 4048 C CG . ASP A 1 266 ? -20.939 -3.540 31.744 1.00 55.90 ? 572 ASP A CG 1 ATOM 4049 O OD1 . ASP A 1 266 ? -21.390 -4.427 32.493 1.00 45.37 ? 572 ASP A OD1 1 ATOM 4050 O OD2 . ASP A 1 266 ? -20.438 -2.478 32.174 1.00 53.53 ? 572 ASP A OD2 1 ATOM 4051 H H . ASP A 1 266 ? -22.226 -5.772 30.877 1.00 38.97 ? 572 ASP A H 1 ATOM 4052 H HA . ASP A 1 266 ? -20.567 -5.248 28.905 1.00 37.30 ? 572 ASP A HA 1 ATOM 4053 H HB2 . ASP A 1 266 ? -20.367 -3.167 29.827 1.00 37.87 ? 572 ASP A HB2 1 ATOM 4054 H HB3 . ASP A 1 266 ? -21.895 -3.587 29.948 1.00 37.87 ? 572 ASP A HB3 1 ATOM 4055 N N . ALA A 1 267 ? -19.134 -6.630 31.242 1.00 26.11 ? 573 ALA A N 1 ATOM 4056 C CA . ALA A 1 267 ? -17.805 -7.053 31.679 1.00 20.70 ? 573 ALA A CA 1 ATOM 4057 C C . ALA A 1 267 ? -17.015 -7.740 30.570 1.00 18.56 ? 573 ALA A C 1 ATOM 4058 O O . ALA A 1 267 ? -15.789 -7.847 30.678 1.00 22.42 ? 573 ALA A O 1 ATOM 4059 C CB . ALA A 1 267 ? -17.906 -8.014 32.883 1.00 27.36 ? 573 ALA A CB 1 ATOM 4060 H H . ALA A 1 267 ? -19.783 -7.106 31.544 1.00 31.34 ? 573 ALA A H 1 ATOM 4061 H HA . ALA A 1 267 ? -17.304 -6.271 31.961 1.00 24.84 ? 573 ALA A HA 1 ATOM 4062 H HB1 . ALA A 1 267 ? -17.012 -8.278 33.152 1.00 32.83 ? 573 ALA A HB1 1 ATOM 4063 H HB2 . ALA A 1 267 ? -18.350 -7.557 33.615 1.00 32.83 ? 573 ALA A HB2 1 ATOM 4064 H HB3 . ALA A 1 267 ? -18.417 -8.795 32.621 1.00 32.83 ? 573 ALA A HB3 1 ATOM 4065 N N . PHE A 1 268 ? -17.681 -8.208 29.523 1.00 21.35 ? 574 PHE A N 1 ATOM 4066 C CA . PHE A 1 268 ? -17.035 -9.006 28.483 1.00 23.16 ? 574 PHE A CA 1 ATOM 4067 C C . PHE A 1 268 ? -16.504 -8.063 27.402 1.00 23.64 ? 574 PHE A C 1 ATOM 4068 O O . PHE A 1 268 ? -17.275 -7.376 26.736 1.00 26.43 ? 574 PHE A O 1 ATOM 4069 C CB . PHE A 1 268 ? -18.024 -10.023 27.925 1.00 21.58 ? 574 PHE A CB 1 ATOM 4070 C CG . PHE A 1 268 ? -18.450 -11.062 28.947 1.00 22.98 ? 574 PHE A CG 1 ATOM 4071 C CD1 . PHE A 1 268 ? -19.535 -10.839 29.774 1.00 24.50 ? 574 PHE A CD1 1 ATOM 4072 C CD2 . PHE A 1 268 ? -17.731 -12.226 29.103 1.00 23.80 ? 574 PHE A CD2 1 ATOM 4073 C CE1 . PHE A 1 268 ? -19.912 -11.769 30.728 1.00 25.77 ? 574 PHE A CE1 1 ATOM 4074 C CE2 . PHE A 1 268 ? -18.095 -13.163 30.058 1.00 28.96 ? 574 PHE A CE2 1 ATOM 4075 C CZ . PHE A 1 268 ? -19.198 -12.934 30.874 1.00 26.57 ? 574 PHE A CZ 1 ATOM 4076 H H . PHE A 1 268 ? -18.520 -8.077 29.387 1.00 25.63 ? 574 PHE A H 1 ATOM 4077 H HA . PHE A 1 268 ? -16.284 -9.487 28.866 1.00 27.79 ? 574 PHE A HA 1 ATOM 4078 H HB2 . PHE A 1 268 ? -18.819 -9.557 27.624 1.00 25.89 ? 574 PHE A HB2 1 ATOM 4079 H HB3 . PHE A 1 268 ? -17.611 -10.489 27.181 1.00 25.89 ? 574 PHE A HB3 1 ATOM 4080 H HD1 . PHE A 1 268 ? -20.024 -10.053 29.684 1.00 29.40 ? 574 PHE A HD1 1 ATOM 4081 H HD2 . PHE A 1 268 ? -16.991 -12.384 28.562 1.00 28.57 ? 574 PHE A HD2 1 ATOM 4082 H HE1 . PHE A 1 268 ? -20.651 -11.606 31.269 1.00 30.92 ? 574 PHE A HE1 1 ATOM 4083 H HE2 . PHE A 1 268 ? -17.607 -13.950 30.145 1.00 34.75 ? 574 PHE A HE2 1 ATOM 4084 H HZ . PHE A 1 268 ? -19.451 -13.563 31.510 1.00 31.89 ? 574 PHE A HZ 1 ATOM 4085 N N . LEU A 1 269 ? -15.191 -8.038 27.240 1.00 21.34 ? 575 LEU A N 1 ATOM 4086 C CA . LEU A 1 269 ? -14.477 -7.040 26.481 1.00 21.15 ? 575 LEU A CA 1 ATOM 4087 C C . LEU A 1 269 ? -13.912 -7.623 25.191 1.00 21.64 ? 575 LEU A C 1 ATOM 4088 O O . LEU A 1 269 ? -13.981 -8.835 24.941 1.00 21.59 ? 575 LEU A O 1 ATOM 4089 C CB . LEU A 1 269 ? -13.336 -6.485 27.329 1.00 24.78 ? 575 LEU A CB 1 ATOM 4090 C CG . LEU A 1 269 ? -13.706 -6.096 28.751 1.00 25.87 ? 575 LEU A CG 1 ATOM 4091 C CD1 . LEU A 1 269 ? -12.432 -5.681 29.464 1.00 28.59 ? 575 LEU A CD1 1 ATOM 4092 C CD2 . LEU A 1 269 ? -14.725 -4.976 28.743 1.00 25.66 ? 575 LEU A CD2 1 ATOM 4093 H H . LEU A 1 269 ? -14.668 -8.628 27.584 1.00 25.61 ? 575 LEU A H 1 ATOM 4094 H HA . LEU A 1 269 ? -15.077 -6.312 26.255 1.00 25.38 ? 575 LEU A HA 1 ATOM 4095 H HB2 . LEU A 1 269 ? -12.639 -7.157 27.383 1.00 29.74 ? 575 LEU A HB2 1 ATOM 4096 H HB3 . LEU A 1 269 ? -12.987 -5.692 26.892 1.00 29.74 ? 575 LEU A HB3 1 ATOM 4097 H HG . LEU A 1 269 ? -14.086 -6.860 29.212 1.00 31.04 ? 575 LEU A HG 1 ATOM 4098 H HD11 . LEU A 1 269 ? -12.649 -5.428 30.375 1.00 34.31 ? 575 LEU A HD11 1 ATOM 4099 H HD12 . LEU A 1 269 ? -11.814 -6.428 29.465 1.00 34.31 ? 575 LEU A HD12 1 ATOM 4100 H HD13 . LEU A 1 269 ? -12.040 -4.927 28.996 1.00 34.31 ? 575 LEU A HD13 1 ATOM 4101 H HD21 . LEU A 1 269 ? -14.947 -4.745 29.659 1.00 30.80 ? 575 LEU A HD21 1 ATOM 4102 H HD22 . LEU A 1 269 ? -14.346 -4.208 28.290 1.00 30.80 ? 575 LEU A HD22 1 ATOM 4103 H HD23 . LEU A 1 269 ? -15.521 -5.277 28.276 1.00 30.80 ? 575 LEU A HD23 1 ATOM 4104 N N . GLY A 1 270 ? -13.308 -6.740 24.388 1.00 20.36 ? 576 GLY A N 1 ATOM 4105 C CA . GLY A 1 270 ? -12.461 -7.187 23.289 1.00 20.09 ? 576 GLY A CA 1 ATOM 4106 C C . GLY A 1 270 ? -13.207 -7.703 22.090 1.00 18.38 ? 576 GLY A C 1 ATOM 4107 O O . GLY A 1 270 ? -12.706 -8.596 21.381 1.00 20.79 ? 576 GLY A O 1 ATOM 4108 H H . GLY A 1 270 ? -13.374 -5.886 24.460 1.00 24.43 ? 576 GLY A H 1 ATOM 4109 H HA2 . GLY A 1 270 ? -11.903 -6.448 23.000 1.00 24.11 ? 576 GLY A HA2 1 ATOM 4110 H HA3 . GLY A 1 270 ? -11.879 -7.895 23.607 1.00 24.11 ? 576 GLY A HA3 1 ATOM 4111 N N . TRP A 1 271 ? -14.401 -7.180 21.834 1.00 20.60 ? 577 TRP A N 1 ATOM 4112 C CA . TRP A 1 271 ? -15.148 -7.552 20.649 1.00 20.50 ? 577 TRP A CA 1 ATOM 4113 C C . TRP A 1 271 ? -15.801 -6.309 20.075 1.00 22.77 ? 577 TRP A C 1 ATOM 4114 O O . TRP A 1 271 ? -15.894 -5.271 20.731 1.00 23.22 ? 577 TRP A O 1 ATOM 4115 C CB . TRP A 1 271 ? -16.216 -8.615 20.945 1.00 21.73 ? 577 TRP A CB 1 ATOM 4116 C CG . TRP A 1 271 ? -17.283 -8.193 21.900 1.00 19.68 ? 577 TRP A CG 1 ATOM 4117 C CD1 . TRP A 1 271 ? -17.241 -8.292 23.260 1.00 21.55 ? 577 TRP A CD1 1 ATOM 4118 C CD2 . TRP A 1 271 ? -18.569 -7.637 21.577 1.00 22.32 ? 577 TRP A CD2 1 ATOM 4119 N NE1 . TRP A 1 271 ? -18.408 -7.805 23.812 1.00 22.36 ? 577 TRP A NE1 1 ATOM 4120 C CE2 . TRP A 1 271 ? -19.245 -7.407 22.802 1.00 23.74 ? 577 TRP A CE2 1 ATOM 4121 C CE3 . TRP A 1 271 ? -19.203 -7.283 20.381 1.00 22.48 ? 577 TRP A CE3 1 ATOM 4122 C CZ2 . TRP A 1 271 ? -20.519 -6.834 22.861 1.00 29.47 ? 577 TRP A CZ2 1 ATOM 4123 C CZ3 . TRP A 1 271 ? -20.474 -6.720 20.435 1.00 25.73 ? 577 TRP A CZ3 1 ATOM 4124 C CH2 . TRP A 1 271 ? -21.119 -6.492 21.674 1.00 28.97 ? 577 TRP A CH2 1 ATOM 4125 H H . TRP A 1 271 ? -14.799 -6.606 22.336 1.00 24.72 ? 577 TRP A H 1 ATOM 4126 H HA . TRP A 1 271 ? -14.539 -7.910 19.985 1.00 24.60 ? 577 TRP A HA 1 ATOM 4127 H HB2 . TRP A 1 271 ? -16.649 -8.856 20.111 1.00 26.08 ? 577 TRP A HB2 1 ATOM 4128 H HB3 . TRP A 1 271 ? -15.779 -9.394 21.321 1.00 26.08 ? 577 TRP A HB3 1 ATOM 4129 H HD1 . TRP A 1 271 ? -16.526 -8.635 23.746 1.00 25.86 ? 577 TRP A HD1 1 ATOM 4130 H HE1 . TRP A 1 271 ? -18.590 -7.777 24.652 1.00 26.83 ? 577 TRP A HE1 1 ATOM 4131 H HE3 . TRP A 1 271 ? -18.780 -7.417 19.564 1.00 26.97 ? 577 TRP A HE3 1 ATOM 4132 H HZ2 . TRP A 1 271 ? -20.945 -6.691 23.675 1.00 35.37 ? 577 TRP A HZ2 1 ATOM 4133 H HZ3 . TRP A 1 271 ? -20.906 -6.489 19.645 1.00 30.87 ? 577 TRP A HZ3 1 ATOM 4134 H HH2 . TRP A 1 271 ? -21.975 -6.129 21.683 1.00 34.77 ? 577 TRP A HH2 1 ATOM 4135 N N . SER A 1 272 ? -16.225 -6.404 18.822 1.00 23.14 ? 578 SER A N 1 ATOM 4136 C CA . SER A 1 272 ? -16.975 -5.308 18.208 1.00 18.56 ? 578 SER A CA 1 ATOM 4137 C C . SER A 1 272 ? -17.869 -5.924 17.136 1.00 23.02 ? 578 SER A C 1 ATOM 4138 O O . SER A 1 272 ? -18.125 -7.135 17.155 1.00 23.13 ? 578 SER A O 1 ATOM 4139 C CB . SER A 1 272 ? -16.025 -4.223 17.686 1.00 19.48 ? 578 SER A CB 1 ATOM 4140 O OG . SER A 1 272 ? -16.752 -3.034 17.369 1.00 20.49 ? 578 SER A OG 1 ATOM 4141 H H . SER A 1 272 ? -16.095 -7.081 18.309 1.00 27.77 ? 578 SER A H 1 ATOM 4142 H HA . SER A 1 272 ? -17.549 -4.904 18.878 1.00 22.27 ? 578 SER A HA 1 ATOM 4143 H HB2 . SER A 1 272 ? -15.368 -4.020 18.370 1.00 23.37 ? 578 SER A HB2 1 ATOM 4144 H HB3 . SER A 1 272 ? -15.583 -4.547 16.885 1.00 23.37 ? 578 SER A HB3 1 ATOM 4145 H HG . SER A 1 272 ? -17.142 -2.744 18.055 1.00 24.59 ? 578 SER A HG 1 ATOM 4146 N N . TYR A 1 273 ? -18.373 -5.090 16.227 1.00 20.31 ? 579 TYR A N 1 ATOM 4147 C CA . TYR A 1 273 ? -19.341 -5.534 15.239 1.00 21.90 ? 579 TYR A CA 1 ATOM 4148 C C . TYR A 1 273 ? -19.390 -4.516 14.101 1.00 27.17 ? 579 TYR A C 1 ATOM 4149 O O . TYR A 1 273 ? -18.972 -3.371 14.254 1.00 21.19 ? 579 TYR A O 1 ATOM 4150 C CB . TYR A 1 273 ? -20.723 -5.695 15.875 1.00 19.78 ? 579 TYR A CB 1 ATOM 4151 C CG . TYR A 1 273 ? -21.316 -4.378 16.307 1.00 23.45 ? 579 TYR A CG 1 ATOM 4152 C CD1 . TYR A 1 273 ? -21.021 -3.841 17.561 1.00 29.97 ? 579 TYR A CD1 1 ATOM 4153 C CD2 . TYR A 1 273 ? -22.159 -3.647 15.460 1.00 28.65 ? 579 TYR A CD2 1 ATOM 4154 C CE1 . TYR A 1 273 ? -21.543 -2.622 17.956 1.00 32.26 ? 579 TYR A CE1 1 ATOM 4155 C CE2 . TYR A 1 273 ? -22.695 -2.428 15.857 1.00 32.41 ? 579 TYR A CE2 1 ATOM 4156 C CZ . TYR A 1 273 ? -22.379 -1.922 17.109 1.00 43.33 ? 579 TYR A CZ 1 ATOM 4157 O OH . TYR A 1 273 ? -22.886 -0.706 17.526 1.00 48.24 ? 579 TYR A OH 1 ATOM 4158 H H . TYR A 1 273 ? -18.166 -4.258 16.165 1.00 24.38 ? 579 TYR A H 1 ATOM 4159 H HA . TYR A 1 273 ? -19.066 -6.390 14.876 1.00 26.28 ? 579 TYR A HA 1 ATOM 4160 H HB2 . TYR A 1 273 ? -21.324 -6.098 15.229 1.00 23.73 ? 579 TYR A HB2 1 ATOM 4161 H HB3 . TYR A 1 273 ? -20.647 -6.262 16.659 1.00 23.73 ? 579 TYR A HB3 1 ATOM 4162 H HD1 . TYR A 1 273 ? -20.456 -4.305 18.136 1.00 35.96 ? 579 TYR A HD1 1 ATOM 4163 H HD2 . TYR A 1 273 ? -22.368 -3.987 14.620 1.00 34.38 ? 579 TYR A HD2 1 ATOM 4164 H HE1 . TYR A 1 273 ? -21.338 -2.278 18.795 1.00 38.71 ? 579 TYR A HE1 1 ATOM 4165 H HE2 . TYR A 1 273 ? -23.253 -1.952 15.286 1.00 38.90 ? 579 TYR A HE2 1 ATOM 4166 H HH . TYR A 1 273 ? -23.377 -0.380 16.928 1.00 57.89 ? 579 TYR A HH 1 ATOM 4167 N N . ASP A 1 274 ? -19.896 -4.956 12.953 1.00 20.64 ? 580 ASP A N 1 ATOM 4168 C CA . ASP A 1 274 ? -20.166 -4.064 11.826 1.00 24.61 ? 580 ASP A CA 1 ATOM 4169 C C . ASP A 1 274 ? -21.256 -4.707 10.995 1.00 24.82 ? 580 ASP A C 1 ATOM 4170 O O . ASP A 1 274 ? -21.463 -5.928 11.040 1.00 22.46 ? 580 ASP A O 1 ATOM 4171 C CB . ASP A 1 274 ? -18.927 -3.818 10.975 1.00 17.75 ? 580 ASP A CB 1 ATOM 4172 C CG . ASP A 1 274 ? -19.061 -2.598 10.038 1.00 25.39 ? 580 ASP A CG 1 ATOM 4173 O OD1 . ASP A 1 274 ? -20.002 -1.800 10.198 1.00 27.17 ? 580 ASP A OD1 1 ATOM 4174 O OD2 . ASP A 1 274 ? -18.187 -2.424 9.169 1.00 23.57 ? 580 ASP A OD2 1 ATOM 4175 H H . ASP A 1 274 ? -20.094 -5.779 12.798 1.00 24.77 ? 580 ASP A H 1 ATOM 4176 H HA . ASP A 1 274 ? -20.489 -3.211 12.156 1.00 29.53 ? 580 ASP A HA 1 ATOM 4177 H HB2 . ASP A 1 274 ? -18.169 -3.662 11.561 1.00 21.31 ? 580 ASP A HB2 1 ATOM 4178 H HB3 . ASP A 1 274 ? -18.763 -4.600 10.425 1.00 21.31 ? 580 ASP A HB3 1 ATOM 4179 N N . THR A 1 275 ? -21.976 -3.886 10.254 1.00 20.40 ? 581 THR A N 1 ATOM 4180 C CA . THR A 1 275 ? -22.951 -4.452 9.353 1.00 21.26 ? 581 THR A CA 1 ATOM 4181 C C . THR A 1 275 ? -22.237 -5.251 8.263 1.00 20.95 ? 581 THR A C 1 ATOM 4182 O O . THR A 1 275 ? -21.073 -4.995 7.932 1.00 22.17 ? 581 THR A O 1 ATOM 4183 C CB . THR A 1 275 ? -23.810 -3.371 8.721 1.00 26.27 ? 581 THR A CB 1 ATOM 4184 O OG1 . THR A 1 275 ? -24.781 -3.989 7.867 1.00 27.44 ? 581 THR A OG1 1 ATOM 4185 C CG2 . THR A 1 275 ? -22.957 -2.412 7.904 1.00 24.30 ? 581 THR A CG2 1 ATOM 4186 H H . THR A 1 275 ? -21.922 -3.028 10.254 1.00 24.47 ? 581 THR A H 1 ATOM 4187 H HA . THR A 1 275 ? -23.530 -5.055 9.844 1.00 25.51 ? 581 THR A HA 1 ATOM 4188 H HB . THR A 1 275 ? -24.263 -2.867 9.416 1.00 31.53 ? 581 THR A HB 1 ATOM 4189 H HG1 . THR A 1 275 ? -25.265 -3.402 7.510 1.00 32.93 ? 581 THR A HG1 1 ATOM 4190 H HG21 . THR A 1 275 ? -23.517 -1.727 7.506 1.00 29.16 ? 581 THR A HG21 1 ATOM 4191 H HG22 . THR A 1 275 ? -22.297 -1.988 8.475 1.00 29.16 ? 581 THR A HG22 1 ATOM 4192 H HG23 . THR A 1 275 ? -22.500 -2.895 7.198 1.00 29.16 ? 581 THR A HG23 1 ATOM 4193 N N . CYS A 1 276 ? -22.947 -6.231 7.701 1.00 22.63 ? 582 CYS A N 1 ATOM 4194 C CA . CYS A 1 276 ? -22.478 -6.944 6.511 1.00 23.25 ? 582 CYS A CA 1 ATOM 4195 C C . CYS A 1 276 ? -23.114 -6.432 5.222 1.00 27.78 ? 582 CYS A C 1 ATOM 4196 O O . CYS A 1 276 ? -22.877 -7.015 4.166 1.00 21.65 ? 582 CYS A O 1 ATOM 4197 C CB . CYS A 1 276 ? -22.771 -8.448 6.614 1.00 19.27 ? 582 CYS A CB 1 ATOM 4198 S SG . CYS A 1 276 ? -24.534 -8.873 6.862 1.00 25.30 ? 582 CYS A SG 1 ATOM 4199 H H . CYS A 1 276 ? -23.709 -6.504 7.992 1.00 27.15 ? 582 CYS A H 1 ATOM 4200 H HA . CYS A 1 276 ? -21.518 -6.831 6.436 1.00 27.90 ? 582 CYS A HA 1 ATOM 4201 H HB2 . CYS A 1 276 ? -22.479 -8.876 5.794 1.00 23.12 ? 582 CYS A HB2 1 ATOM 4202 H HB3 . CYS A 1 276 ? -22.274 -8.809 7.365 1.00 23.12 ? 582 CYS A HB3 1 ATOM 4203 N N . VAL A 1 277 ? -23.933 -5.400 5.281 1.00 22.41 ? 583 VAL A N 1 ATOM 4204 C CA . VAL A 1 277 ? -24.761 -5.010 4.144 1.00 21.11 ? 583 VAL A CA 1 ATOM 4205 C C . VAL A 1 277 ? -24.004 -4.041 3.247 1.00 21.68 ? 583 VAL A C 1 ATOM 4206 O O . VAL A 1 277 ? -23.403 -3.073 3.719 1.00 24.88 ? 583 VAL A O 1 ATOM 4207 C CB . VAL A 1 277 ? -26.086 -4.377 4.615 1.00 24.08 ? 583 VAL A CB 1 ATOM 4208 C CG1 . VAL A 1 277 ? -26.915 -3.817 3.420 1.00 26.73 ? 583 VAL A CG1 1 ATOM 4209 C CG2 . VAL A 1 277 ? -26.891 -5.392 5.428 1.00 29.91 ? 583 VAL A CG2 1 ATOM 4210 H H . VAL A 1 277 ? -24.033 -4.900 5.974 1.00 26.89 ? 583 VAL A H 1 ATOM 4211 H HA . VAL A 1 277 ? -24.974 -5.800 3.622 1.00 25.33 ? 583 VAL A HA 1 ATOM 4212 H HB . VAL A 1 277 ? -25.880 -3.632 5.201 1.00 28.90 ? 583 VAL A HB 1 ATOM 4213 H HG11 . VAL A 1 277 ? -27.736 -3.429 3.760 1.00 32.08 ? 583 VAL A HG11 1 ATOM 4214 H HG12 . VAL A 1 277 ? -26.392 -3.138 2.964 1.00 32.08 ? 583 VAL A HG12 1 ATOM 4215 H HG13 . VAL A 1 277 ? -27.119 -4.543 2.810 1.00 32.08 ? 583 VAL A HG13 1 ATOM 4216 H HG21 . VAL A 1 277 ? -27.720 -4.979 5.716 1.00 35.89 ? 583 VAL A HG21 1 ATOM 4217 H HG22 . VAL A 1 277 ? -27.082 -6.163 4.870 1.00 35.89 ? 583 VAL A HG22 1 ATOM 4218 H HG23 . VAL A 1 277 ? -26.370 -5.662 6.200 1.00 35.89 ? 583 VAL A HG23 1 ATOM 4219 N N . SER A 1 278 ? -24.055 -4.288 1.949 1.00 22.78 ? 584 SER A N 1 ATOM 4220 C CA . SER A 1 278 ? -23.707 -3.289 0.950 1.00 25.30 ? 584 SER A CA 1 ATOM 4221 C C . SER A 1 278 ? -24.564 -3.582 -0.275 1.00 26.63 ? 584 SER A C 1 ATOM 4222 O O . SER A 1 278 ? -24.836 -4.744 -0.593 1.00 27.14 ? 584 SER A O 1 ATOM 4223 C CB . SER A 1 278 ? -22.208 -3.308 0.613 1.00 28.91 ? 584 SER A CB 1 ATOM 4224 O OG . SER A 1 278 ? -21.848 -4.526 -0.027 1.00 30.97 ? 584 SER A OG 1 ATOM 4225 H H . SER A 1 278 ? -24.294 -5.043 1.613 1.00 27.34 ? 584 SER A H 1 ATOM 4226 H HA . SER A 1 278 ? -23.936 -2.407 1.282 1.00 30.37 ? 584 SER A HA 1 ATOM 4227 H HB2 . SER A 1 278 ? -22.009 -2.568 0.019 1.00 34.70 ? 584 SER A HB2 1 ATOM 4228 H HB3 . SER A 1 278 ? -21.699 -3.220 1.434 1.00 34.70 ? 584 SER A HB3 1 ATOM 4229 H HG . SER A 1 278 ? -22.016 -5.176 0.478 1.00 37.17 ? 584 SER A HG 1 ATOM 4230 N N . ASN A 1 279 ? -25.054 -2.526 -0.912 1.00 26.74 ? 585 ASN A N 1 ATOM 4231 C CA . ASN A 1 279 ? -25.975 -2.663 -2.035 1.00 22.12 ? 585 ASN A CA 1 ATOM 4232 C C . ASN A 1 279 ? -27.188 -3.507 -1.650 1.00 28.00 ? 585 ASN A C 1 ATOM 4233 O O . ASN A 1 279 ? -27.710 -4.292 -2.443 1.00 26.86 ? 585 ASN A O 1 ATOM 4234 C CB . ASN A 1 279 ? -25.266 -3.241 -3.254 1.00 30.89 ? 585 ASN A CB 1 ATOM 4235 C CG . ASN A 1 279 ? -26.150 -3.235 -4.491 1.00 49.76 ? 585 ASN A CG 1 ATOM 4236 O OD1 . ASN A 1 279 ? -26.889 -2.278 -4.722 1.00 45.71 ? 585 ASN A OD1 1 ATOM 4237 N ND2 . ASN A 1 279 ? -26.122 -4.328 -5.261 1.00 52.82 ? 585 ASN A ND2 1 ATOM 4238 H H . ASN A 1 279 ? -24.866 -1.711 -0.712 1.00 32.09 ? 585 ASN A H 1 ATOM 4239 H HA . ASN A 1 279 ? -26.299 -1.781 -2.277 1.00 26.55 ? 585 ASN A HA 1 ATOM 4240 H HB2 . ASN A 1 279 ? -24.477 -2.710 -3.444 1.00 37.07 ? 585 ASN A HB2 1 ATOM 4241 H HB3 . ASN A 1 279 ? -25.013 -4.159 -3.069 1.00 37.07 ? 585 ASN A HB3 1 ATOM 4242 H HD21 . ASN A 1 279 ? -26.607 -4.366 -5.970 1.00 63.38 ? 585 ASN A HD21 1 ATOM 4243 H HD22 . ASN A 1 279 ? -25.619 -4.992 -5.047 1.00 63.38 ? 585 ASN A HD22 1 ATOM 4244 N N . ASN A 1 280 ? -27.635 -3.353 -0.409 1.00 27.66 ? 586 ASN A N 1 ATOM 4245 C CA . ASN A 1 280 ? -28.833 -4.019 0.109 1.00 26.30 ? 586 ASN A CA 1 ATOM 4246 C C . ASN A 1 280 ? -28.725 -5.541 0.130 1.00 26.31 ? 586 ASN A C 1 ATOM 4247 O O . ASN A 1 280 ? -29.745 -6.234 0.176 1.00 21.09 ? 586 ASN A O 1 ATOM 4248 C CB . ASN A 1 280 ? -30.066 -3.588 -0.677 1.00 28.07 ? 586 ASN A CB 1 ATOM 4249 C CG . ASN A 1 280 ? -30.380 -2.129 -0.449 1.00 35.56 ? 586 ASN A CG 1 ATOM 4250 O OD1 . ASN A 1 280 ? -30.666 -1.712 0.664 1.00 31.86 ? 586 ASN A OD1 1 ATOM 4251 N ND2 . ASN A 1 280 ? -30.255 -1.345 -1.474 1.00 29.89 ? 586 ASN A ND2 1 ATOM 4252 H H . ASN A 1 280 ? -27.250 -2.851 0.173 1.00 33.20 ? 586 ASN A H 1 ATOM 4253 H HA . ASN A 1 280 ? -28.964 -3.731 1.025 1.00 31.57 ? 586 ASN A HA 1 ATOM 4254 H HB2 . ASN A 1 280 ? -29.905 -3.721 -1.625 1.00 33.69 ? 586 ASN A HB2 1 ATOM 4255 H HB3 . ASN A 1 280 ? -30.830 -4.112 -0.389 1.00 33.69 ? 586 ASN A HB3 1 ATOM 4256 H HD21 . ASN A 1 280 ? -30.422 -0.505 -1.395 1.00 35.87 ? 586 ASN A HD21 1 ATOM 4257 H HD22 . ASN A 1 280 ? -30.005 -1.664 -2.232 1.00 35.87 ? 586 ASN A HD22 1 ATOM 4258 N N . ARG A 1 281 ? -27.511 -6.072 0.112 1.00 27.22 ? 587 ARG A N 1 ATOM 4259 C CA . ARG A 1 281 ? -27.281 -7.493 0.306 1.00 25.53 ? 587 ARG A CA 1 ATOM 4260 C C . ARG A 1 281 ? -26.238 -7.699 1.399 1.00 23.81 ? 587 ARG A C 1 ATOM 4261 O O . ARG A 1 281 ? -25.362 -6.855 1.623 1.00 21.98 ? 587 ARG A O 1 ATOM 4262 C CB . ARG A 1 281 ? -26.824 -8.146 -0.990 1.00 26.95 ? 587 ARG A CB 1 ATOM 4263 C CG . ARG A 1 281 ? -27.715 -7.791 -2.222 1.00 22.78 ? 587 ARG A CG 1 ATOM 4264 C CD . ARG A 1 281 ? -27.318 -8.586 -3.450 1.00 34.13 ? 587 ARG A CD 1 ATOM 4265 N NE . ARG A 1 281 ? -28.268 -9.691 -3.661 1.00 38.58 ? 587 ARG A NE 1 ATOM 4266 C CZ . ARG A 1 281 ? -28.000 -10.964 -3.486 1.00 34.31 ? 587 ARG A CZ 1 ATOM 4267 N NH1 . ARG A 1 281 ? -26.796 -11.358 -3.135 1.00 51.68 ? 587 ARG A NH1 1 ATOM 4268 N NH2 . ARG A 1 281 ? -28.940 -11.854 -3.676 1.00 46.14 ? 587 ARG A NH2 1 ATOM 4269 H H . ARG A 1 281 ? -26.790 -5.619 -0.014 1.00 32.67 ? 587 ARG A H 1 ATOM 4270 H HA . ARG A 1 281 ? -28.107 -7.918 0.588 1.00 30.64 ? 587 ARG A HA 1 ATOM 4271 H HB2 . ARG A 1 281 ? -25.920 -7.854 -1.184 1.00 32.34 ? 587 ARG A HB2 1 ATOM 4272 H HB3 . ARG A 1 281 ? -26.842 -9.109 -0.878 1.00 32.34 ? 587 ARG A HB3 1 ATOM 4273 H HG2 . ARG A 1 281 ? -28.641 -7.994 -2.015 1.00 27.33 ? 587 ARG A HG2 1 ATOM 4274 H HG3 . ARG A 1 281 ? -27.617 -6.848 -2.426 1.00 27.33 ? 587 ARG A HG3 1 ATOM 4275 H HD2 . ARG A 1 281 ? -27.336 -8.010 -4.230 1.00 40.96 ? 587 ARG A HD2 1 ATOM 4276 H HD3 . ARG A 1 281 ? -26.432 -8.961 -3.323 1.00 40.96 ? 587 ARG A HD3 1 ATOM 4277 H HE . ARG A 1 281 ? -29.063 -9.486 -3.919 1.00 46.29 ? 587 ARG A HE 1 ATOM 4278 H HH11 . ARG A 1 281 ? -26.176 -10.777 -3.001 1.00 62.02 ? 587 ARG A HH11 1 ATOM 4279 H HH12 . ARG A 1 281 ? -26.631 -12.195 -3.030 1.00 62.02 ? 587 ARG A HH12 1 ATOM 4280 H HH21 . ARG A 1 281 ? -29.727 -11.604 -3.915 1.00 55.37 ? 587 ARG A HH21 1 ATOM 4281 H HH22 . ARG A 1 281 ? -28.766 -12.691 -3.580 1.00 55.37 ? 587 ARG A HH22 1 ATOM 4282 N N . CYS A 1 282 ? -26.358 -8.817 2.096 1.00 25.80 ? 588 CYS A N 1 ATOM 4283 C CA A CYS A 1 282 ? -25.413 -9.199 3.132 0.41 23.18 ? 588 CYS A CA 1 ATOM 4284 C CA B CYS A 1 282 ? -25.401 -9.181 3.133 0.59 23.14 ? 588 CYS A CA 1 ATOM 4285 C C . CYS A 1 282 ? -24.277 -9.997 2.507 1.00 24.86 ? 588 CYS A C 1 ATOM 4286 O O . CYS A 1 282 ? -24.520 -11.017 1.841 1.00 20.87 ? 588 CYS A O 1 ATOM 4287 C CB A CYS A 1 282 ? -26.114 -10.040 4.198 0.41 26.74 ? 588 CYS A CB 1 ATOM 4288 C CB B CYS A 1 282 ? -26.063 -9.955 4.275 0.59 26.83 ? 588 CYS A CB 1 ATOM 4289 S SG A CYS A 1 282 ? -27.471 -9.217 5.061 0.41 25.35 ? 588 CYS A SG 1 ATOM 4290 S SG B CYS A 1 282 ? -24.917 -10.505 5.634 0.59 32.33 ? 588 CYS A SG 1 ATOM 4291 H H . CYS A 1 282 ? -26.992 -9.387 1.985 1.00 30.96 ? 588 CYS A H 1 ATOM 4292 H HA . CYS A 1 282 ? -25.030 -8.388 3.527 1.00 27.77 ? 588 CYS A HA 1 ATOM 4293 H HB2 A CYS A 1 282 ? -26.477 -10.834 3.774 0.41 32.09 ? 588 CYS A HB2 1 ATOM 4294 H HB2 B CYS A 1 282 ? -26.741 -9.389 4.677 0.59 32.20 ? 588 CYS A HB2 1 ATOM 4295 H HB3 A CYS A 1 282 ? -25.459 -10.300 4.865 0.41 32.09 ? 588 CYS A HB3 1 ATOM 4296 H HB3 B CYS A 1 282 ? -26.480 -10.749 3.907 0.59 32.20 ? 588 CYS A HB3 1 ATOM 4297 H HG A CYS A 1 282 ? -27.046 -8.240 5.614 0.41 30.43 ? 588 CYS A HG 1 ATOM 4298 N N . ASN A 1 283 ? -23.049 -9.544 2.727 1.00 19.52 ? 589 ASN A N 1 ATOM 4299 C CA . ASN A 1 283 ? -21.880 -10.193 2.158 1.00 19.90 ? 589 ASN A CA 1 ATOM 4300 C C . ASN A 1 283 ? -21.428 -11.337 3.046 1.00 24.04 ? 589 ASN A C 1 ATOM 4301 O O . ASN A 1 283 ? -21.342 -11.180 4.261 1.00 20.99 ? 589 ASN A O 1 ATOM 4302 C CB . ASN A 1 283 ? -20.752 -9.189 2.005 1.00 18.36 ? 589 ASN A CB 1 ATOM 4303 C CG . ASN A 1 283 ? -21.128 -8.061 1.077 1.00 25.94 ? 589 ASN A CG 1 ATOM 4304 O OD1 . ASN A 1 283 ? -21.460 -8.295 -0.072 1.00 23.68 ? 589 ASN A OD1 1 ATOM 4305 N ND2 . ASN A 1 283 ? -21.141 -6.849 1.592 1.00 20.49 ? 589 ASN A ND2 1 ATOM 4306 H H . ASN A 1 283 ? -22.866 -8.854 3.207 1.00 23.43 ? 589 ASN A H 1 ATOM 4307 H HA . ASN A 1 283 ? -22.099 -10.549 1.283 1.00 23.88 ? 589 ASN A HA 1 ATOM 4308 H HB2 . ASN A 1 283 ? -20.542 -8.810 2.873 1.00 22.03 ? 589 ASN A HB2 1 ATOM 4309 H HB3 . ASN A 1 283 ? -19.974 -9.637 1.638 1.00 22.03 ? 589 ASN A HB3 1 ATOM 4310 H HD21 . ASN A 1 283 ? -21.349 -6.175 1.100 1.00 24.59 ? 589 ASN A HD21 1 ATOM 4311 H HD22 . ASN A 1 283 ? -20.941 -6.732 2.420 1.00 24.59 ? 589 ASN A HD22 1 ATOM 4312 N N . ILE A 1 284 ? -21.119 -12.477 2.424 1.00 16.94 ? 590 ILE A N 1 ATOM 4313 C CA . ILE A 1 284 ? -20.849 -13.722 3.132 1.00 17.20 ? 590 ILE A CA 1 ATOM 4314 C C . ILE A 1 284 ? -19.577 -14.338 2.578 1.00 21.78 ? 590 ILE A C 1 ATOM 4315 O O . ILE A 1 284 ? -19.246 -14.197 1.389 1.00 21.72 ? 590 ILE A O 1 ATOM 4316 C CB . ILE A 1 284 ? -22.036 -14.698 3.026 1.00 20.24 ? 590 ILE A CB 1 ATOM 4317 C CG1 . ILE A 1 284 ? -23.318 -13.985 3.452 1.00 23.63 ? 590 ILE A CG1 1 ATOM 4318 C CG2 . ILE A 1 284 ? -21.824 -15.896 3.925 1.00 20.36 ? 590 ILE A CG2 1 ATOM 4319 C CD1 . ILE A 1 284 ? -24.567 -14.773 3.202 1.00 28.96 ? 590 ILE A CD1 1 ATOM 4320 H H . ILE A 1 284 ? -21.059 -12.552 1.570 1.00 20.32 ? 590 ILE A H 1 ATOM 4321 H HA . ILE A 1 284 ? -20.704 -13.528 4.071 1.00 20.64 ? 590 ILE A HA 1 ATOM 4322 H HB . ILE A 1 284 ? -22.124 -14.996 2.107 1.00 24.29 ? 590 ILE A HB 1 ATOM 4323 H HG12 . ILE A 1 284 ? -23.271 -13.800 4.403 1.00 28.35 ? 590 ILE A HG12 1 ATOM 4324 H HG13 . ILE A 1 284 ? -23.391 -13.152 2.960 1.00 28.35 ? 590 ILE A HG13 1 ATOM 4325 H HG21 . ILE A 1 284 ? -22.585 -16.493 3.839 1.00 24.43 ? 590 ILE A HG21 1 ATOM 4326 H HG22 . ILE A 1 284 ? -21.013 -16.354 3.655 1.00 24.43 ? 590 ILE A HG22 1 ATOM 4327 H HG23 . ILE A 1 284 ? -21.744 -15.592 4.842 1.00 24.43 ? 590 ILE A HG23 1 ATOM 4328 H HD11 . ILE A 1 284 ? -25.332 -14.255 3.498 1.00 34.75 ? 590 ILE A HD11 1 ATOM 4329 H HD12 . ILE A 1 284 ? -24.639 -14.957 2.252 1.00 34.75 ? 590 ILE A HD12 1 ATOM 4330 H HD13 . ILE A 1 284 ? -24.519 -15.606 3.697 1.00 34.75 ? 590 ILE A HD13 1 ATOM 4331 N N . PHE A 1 285 ? -18.845 -14.997 3.474 1.00 17.45 ? 591 PHE A N 1 ATOM 4332 C CA . PHE A 1 285 ? -17.640 -15.744 3.148 1.00 19.83 ? 591 PHE A CA 1 ATOM 4333 C C . PHE A 1 285 ? -17.896 -17.233 3.328 1.00 25.85 ? 591 PHE A C 1 ATOM 4334 O O . PHE A 1 285 ? -18.534 -17.644 4.292 1.00 20.09 ? 591 PHE A O 1 ATOM 4335 C CB . PHE A 1 285 ? -16.504 -15.330 4.066 1.00 17.77 ? 591 PHE A CB 1 ATOM 4336 C CG . PHE A 1 285 ? -15.244 -16.141 3.918 1.00 18.41 ? 591 PHE A CG 1 ATOM 4337 C CD1 . PHE A 1 285 ? -14.290 -15.811 2.979 1.00 20.68 ? 591 PHE A CD1 1 ATOM 4338 C CD2 . PHE A 1 285 ? -14.995 -17.204 4.771 1.00 19.70 ? 591 PHE A CD2 1 ATOM 4339 C CE1 . PHE A 1 285 ? -13.100 -16.515 2.890 1.00 15.49 ? 591 PHE A CE1 1 ATOM 4340 C CE2 . PHE A 1 285 ? -13.809 -17.904 4.685 1.00 19.44 ? 591 PHE A CE2 1 ATOM 4341 C CZ . PHE A 1 285 ? -12.863 -17.544 3.731 1.00 19.36 ? 591 PHE A CZ 1 ATOM 4342 H H . PHE A 1 285 ? -19.039 -15.024 4.311 1.00 20.94 ? 591 PHE A H 1 ATOM 4343 H HA . PHE A 1 285 ? -17.382 -15.575 2.229 1.00 23.80 ? 591 PHE A HA 1 ATOM 4344 H HB2 . PHE A 1 285 ? -16.280 -14.404 3.882 1.00 21.33 ? 591 PHE A HB2 1 ATOM 4345 H HB3 . PHE A 1 285 ? -16.803 -15.416 4.985 1.00 21.33 ? 591 PHE A HB3 1 ATOM 4346 H HD1 . PHE A 1 285 ? -14.437 -15.089 2.412 1.00 24.82 ? 591 PHE A HD1 1 ATOM 4347 H HD2 . PHE A 1 285 ? -15.618 -17.429 5.423 1.00 23.64 ? 591 PHE A HD2 1 ATOM 4348 H HE1 . PHE A 1 285 ? -12.470 -16.284 2.247 1.00 18.59 ? 591 PHE A HE1 1 ATOM 4349 H HE2 . PHE A 1 285 ? -13.648 -18.622 5.254 1.00 23.33 ? 591 PHE A HE2 1 ATOM 4350 H HZ . PHE A 1 285 ? -12.076 -18.033 3.653 1.00 23.23 ? 591 PHE A HZ 1 ATOM 4351 N N . SER A 1 286 ? -17.376 -18.036 2.421 1.00 18.06 ? 592 SER A N 1 ATOM 4352 C CA . SER A 1 286 ? -17.341 -19.475 2.642 1.00 19.04 ? 592 SER A CA 1 ATOM 4353 C C . SER A 1 286 ? -16.005 -20.013 2.172 1.00 21.95 ? 592 SER A C 1 ATOM 4354 O O . SER A 1 286 ? -15.477 -19.607 1.126 1.00 20.54 ? 592 SER A O 1 ATOM 4355 C CB . SER A 1 286 ? -18.481 -20.193 1.911 1.00 29.20 ? 592 SER A CB 1 ATOM 4356 O OG . SER A 1 286 ? -18.426 -21.591 2.150 1.00 35.36 ? 592 SER A OG 1 ATOM 4357 H H . SER A 1 286 ? -17.039 -17.781 1.672 1.00 21.68 ? 592 SER A H 1 ATOM 4358 H HA . SER A 1 286 ? -17.425 -19.656 3.592 1.00 22.85 ? 592 SER A HA 1 ATOM 4359 H HB2 . SER A 1 286 ? -19.329 -19.850 2.232 1.00 35.04 ? 592 SER A HB2 1 ATOM 4360 H HB3 . SER A 1 286 ? -18.396 -20.032 0.958 1.00 35.04 ? 592 SER A HB3 1 ATOM 4361 H HG . SER A 1 286 ? -18.497 -21.744 2.973 1.00 42.43 ? 592 SER A HG 1 ATOM 4362 N N . ASN A 1 287 ? -15.493 -20.961 2.931 1.00 22.73 ? 593 ASN A N 1 ATOM 4363 C CA . ASN A 1 287 ? -14.248 -21.647 2.630 1.00 20.17 ? 593 ASN A CA 1 ATOM 4364 C C . ASN A 1 287 ? -14.555 -23.119 2.355 1.00 21.18 ? 593 ASN A C 1 ATOM 4365 O O . ASN A 1 287 ? -15.248 -23.773 3.138 1.00 21.34 ? 593 ASN A O 1 ATOM 4366 C CB . ASN A 1 287 ? -13.272 -21.481 3.794 1.00 23.03 ? 593 ASN A CB 1 ATOM 4367 C CG . ASN A 1 287 ? -11.875 -21.961 3.466 1.00 25.46 ? 593 ASN A CG 1 ATOM 4368 O OD1 . ASN A 1 287 ? -11.200 -21.386 2.646 1.00 29.68 ? 593 ASN A OD1 1 ATOM 4369 N ND2 . ASN A 1 287 ? -11.426 -22.994 4.137 1.00 36.17 ? 593 ASN A ND2 1 ATOM 4370 H H . ASN A 1 287 ? -15.863 -21.238 3.656 1.00 27.28 ? 593 ASN A H 1 ATOM 4371 H HA . ASN A 1 287 ? -13.848 -21.261 1.834 1.00 24.20 ? 593 ASN A HA 1 ATOM 4372 H HB2 . ASN A 1 287 ? -13.219 -20.542 4.029 1.00 27.63 ? 593 ASN A HB2 1 ATOM 4373 H HB3 . ASN A 1 287 ? -13.595 -21.995 4.551 1.00 27.63 ? 593 ASN A HB3 1 ATOM 4374 H HD21 . ASN A 1 287 ? -10.636 -23.298 3.982 1.00 43.40 ? 593 ASN A HD21 1 ATOM 4375 H HD22 . ASN A 1 287 ? -11.920 -23.368 4.734 1.00 43.40 ? 593 ASN A HD22 1 ATOM 4376 N N . PHE A 1 288 ? -14.042 -23.624 1.242 1.00 22.29 ? 594 PHE A N 1 ATOM 4377 C CA . PHE A 1 288 ? -14.140 -25.031 0.852 1.00 21.10 ? 594 PHE A CA 1 ATOM 4378 C C . PHE A 1 288 ? -12.807 -25.706 1.122 1.00 22.65 ? 594 PHE A C 1 ATOM 4379 O O . PHE A 1 288 ? -11.785 -25.270 0.591 1.00 27.58 ? 594 PHE A O 1 ATOM 4380 C CB . PHE A 1 288 ? -14.409 -25.168 -0.645 1.00 20.73 ? 594 PHE A CB 1 ATOM 4381 C CG . PHE A 1 288 ? -15.754 -24.668 -1.115 1.00 20.24 ? 594 PHE A CG 1 ATOM 4382 C CD1 . PHE A 1 288 ? -16.182 -23.378 -0.859 1.00 24.08 ? 594 PHE A CD1 1 ATOM 4383 C CD2 . PHE A 1 288 ? -16.560 -25.478 -1.888 1.00 31.96 ? 594 PHE A CD2 1 ATOM 4384 C CE1 . PHE A 1 288 ? -17.425 -22.939 -1.333 1.00 28.66 ? 594 PHE A CE1 1 ATOM 4385 C CE2 . PHE A 1 288 ? -17.791 -25.047 -2.357 1.00 33.29 ? 594 PHE A CE2 1 ATOM 4386 C CZ . PHE A 1 288 ? -18.219 -23.787 -2.094 1.00 34.71 ? 594 PHE A CZ 1 ATOM 4387 H H . PHE A 1 288 ? -13.612 -23.149 0.668 1.00 26.74 ? 594 PHE A H 1 ATOM 4388 H HA . PHE A 1 288 ? -14.840 -25.478 1.352 1.00 25.33 ? 594 PHE A HA 1 ATOM 4389 H HB2 . PHE A 1 288 ? -13.730 -24.668 -1.125 1.00 24.88 ? 594 PHE A HB2 1 ATOM 4390 H HB3 . PHE A 1 288 ? -14.348 -26.106 -0.882 1.00 24.88 ? 594 PHE A HB3 1 ATOM 4391 H HD1 . PHE A 1 288 ? -15.653 -22.807 -0.350 1.00 28.90 ? 594 PHE A HD1 1 ATOM 4392 H HD2 . PHE A 1 288 ? -16.281 -26.344 -2.079 1.00 38.35 ? 594 PHE A HD2 1 ATOM 4393 H HE1 . PHE A 1 288 ? -17.714 -22.075 -1.146 1.00 34.39 ? 594 PHE A HE1 1 ATOM 4394 H HE2 . PHE A 1 288 ? -18.320 -25.619 -2.865 1.00 39.95 ? 594 PHE A HE2 1 ATOM 4395 H HZ . PHE A 1 288 ? -19.046 -23.498 -2.407 1.00 41.65 ? 594 PHE A HZ 1 ATOM 4396 N N . ILE A 1 289 ? -12.806 -26.799 1.881 1.00 20.85 ? 595 ILE A N 1 ATOM 4397 C CA . ILE A 1 289 ? -11.616 -27.631 1.999 1.00 20.73 ? 595 ILE A CA 1 ATOM 4398 C C . ILE A 1 289 ? -11.863 -28.882 1.175 1.00 21.66 ? 595 ILE A C 1 ATOM 4399 O O . ILE A 1 289 ? -12.834 -29.599 1.427 1.00 22.54 ? 595 ILE A O 1 ATOM 4400 C CB . ILE A 1 289 ? -11.314 -28.029 3.450 1.00 24.33 ? 595 ILE A CB 1 ATOM 4401 C CG1 . ILE A 1 289 ? -11.212 -26.808 4.366 1.00 41.26 ? 595 ILE A CG1 1 ATOM 4402 C CG2 . ILE A 1 289 ? -10.053 -28.872 3.475 1.00 24.21 ? 595 ILE A CG2 1 ATOM 4403 C CD1 . ILE A 1 289 ? -9.970 -26.035 4.207 1.00 51.66 ? 595 ILE A CD1 1 ATOM 4404 H H . ILE A 1 289 ? -13.479 -27.078 2.337 1.00 25.03 ? 595 ILE A H 1 ATOM 4405 H HA . ILE A 1 289 ? -10.848 -27.163 1.636 1.00 24.88 ? 595 ILE A HA 1 ATOM 4406 H HB . ILE A 1 289 ? -12.047 -28.579 3.767 1.00 29.19 ? 595 ILE A HB 1 ATOM 4407 H HG12 . ILE A 1 289 ? -11.956 -26.214 4.177 1.00 49.51 ? 595 ILE A HG12 1 ATOM 4408 H HG13 . ILE A 1 289 ? -11.258 -27.107 5.288 1.00 49.51 ? 595 ILE A HG13 1 ATOM 4409 H HG21 . ILE A 1 289 ? -9.861 -29.124 4.392 1.00 29.06 ? 595 ILE A HG21 1 ATOM 4410 H HG22 . ILE A 1 289 ? -10.194 -29.666 2.935 1.00 29.06 ? 595 ILE A HG22 1 ATOM 4411 H HG23 . ILE A 1 289 ? -9.319 -28.352 3.113 1.00 29.06 ? 595 ILE A HG23 1 ATOM 4412 H HD11 . ILE A 1 289 ? -9.986 -25.284 4.820 1.00 61.99 ? 595 ILE A HD11 1 ATOM 4413 H HD12 . ILE A 1 289 ? -9.214 -26.609 4.406 1.00 61.99 ? 595 ILE A HD12 1 ATOM 4414 H HD13 . ILE A 1 289 ? -9.912 -25.716 3.293 1.00 61.99 ? 595 ILE A HD13 1 ATOM 4415 N N . LEU A 1 290 ? -10.978 -29.149 0.225 1.00 21.60 ? 596 LEU A N 1 ATOM 4416 C CA . LEU A 1 290 ? -11.114 -30.272 -0.702 1.00 24.76 ? 596 LEU A CA 1 ATOM 4417 C C . LEU A 1 290 ? -10.244 -31.417 -0.190 1.00 26.62 ? 596 LEU A C 1 ATOM 4418 O O . LEU A 1 290 ? -9.012 -31.347 -0.263 1.00 29.28 ? 596 LEU A O 1 ATOM 4419 C CB . LEU A 1 290 ? -10.689 -29.854 -2.106 1.00 24.45 ? 596 LEU A CB 1 ATOM 4420 C CG . LEU A 1 290 ? -11.391 -28.636 -2.714 1.00 25.26 ? 596 LEU A CG 1 ATOM 4421 C CD1 . LEU A 1 290 ? -10.763 -28.324 -4.030 1.00 33.50 ? 596 LEU A CD1 1 ATOM 4422 C CD2 . LEU A 1 290 ? -12.885 -28.901 -2.867 1.00 34.02 ? 596 LEU A CD2 1 ATOM 4423 H H . LEU A 1 290 ? -10.268 -28.683 0.092 1.00 25.92 ? 596 LEU A H 1 ATOM 4424 H HA . LEU A 1 290 ? -12.038 -30.567 -0.729 1.00 29.72 ? 596 LEU A HA 1 ATOM 4425 H HB2 . LEU A 1 290 ? -9.739 -29.656 -2.087 1.00 29.34 ? 596 LEU A HB2 1 ATOM 4426 H HB3 . LEU A 1 290 ? -10.846 -30.602 -2.704 1.00 29.34 ? 596 LEU A HB3 1 ATOM 4427 H HG . LEU A 1 290 ? -11.274 -27.871 -2.129 1.00 30.31 ? 596 LEU A HG 1 ATOM 4428 H HD11 . LEU A 1 290 ? -11.207 -27.552 -4.416 1.00 40.21 ? 596 LEU A HD11 1 ATOM 4429 H HD12 . LEU A 1 290 ? -9.823 -28.130 -3.892 1.00 40.21 ? 596 LEU A HD12 1 ATOM 4430 H HD13 . LEU A 1 290 ? -10.861 -29.090 -4.616 1.00 40.21 ? 596 LEU A HD13 1 ATOM 4431 H HD21 . LEU A 1 290 ? -13.307 -28.118 -3.252 1.00 40.82 ? 596 LEU A HD21 1 ATOM 4432 H HD22 . LEU A 1 290 ? -13.011 -29.666 -3.450 1.00 40.82 ? 596 LEU A HD22 1 ATOM 4433 H HD23 . LEU A 1 290 ? -13.264 -29.085 -1.993 1.00 40.82 ? 596 LEU A HD23 1 ATOM 4434 N N . ASN A 1 291 ? -10.874 -32.460 0.332 1.00 27.37 ? 597 ASN A N 1 ATOM 4435 C CA . ASN A 1 291 ? -10.150 -33.608 0.873 1.00 31.51 ? 597 ASN A CA 1 ATOM 4436 C C . ASN A 1 291 ? -10.124 -34.748 -0.134 1.00 32.21 ? 597 ASN A C 1 ATOM 4437 O O . ASN A 1 291 ? -11.164 -35.114 -0.688 1.00 25.93 ? 597 ASN A O 1 ATOM 4438 C CB . ASN A 1 291 ? -10.780 -34.098 2.171 1.00 25.78 ? 597 ASN A CB 1 ATOM 4439 C CG . ASN A 1 291 ? -10.647 -33.093 3.276 1.00 32.87 ? 597 ASN A CG 1 ATOM 4440 O OD1 . ASN A 1 291 ? -9.569 -32.550 3.506 1.00 33.27 ? 597 ASN A OD1 1 ATOM 4441 N ND2 . ASN A 1 291 ? -11.746 -32.811 3.946 1.00 28.92 ? 597 ASN A ND2 1 ATOM 4442 H H . ASN A 1 291 ? -11.729 -32.530 0.387 1.00 32.84 ? 597 ASN A H 1 ATOM 4443 H HA . ASN A 1 291 ? -9.235 -33.348 1.061 1.00 37.81 ? 597 ASN A HA 1 ATOM 4444 H HB2 . ASN A 1 291 ? -11.725 -34.262 2.024 1.00 30.94 ? 597 ASN A HB2 1 ATOM 4445 H HB3 . ASN A 1 291 ? -10.338 -34.915 2.450 1.00 30.94 ? 597 ASN A HB3 1 ATOM 4446 H HD21 . ASN A 1 291 ? -11.724 -32.241 4.589 1.00 34.71 ? 597 ASN A HD21 1 ATOM 4447 H HD22 . ASN A 1 291 ? -12.487 -33.197 3.739 1.00 34.71 ? 597 ASN A HD22 1 ATOM 4448 N N . GLY A 1 292 ? -8.931 -35.291 -0.364 1.00 35.60 ? 598 GLY A N 1 ATOM 4449 C CA . GLY A 1 292 ? -8.741 -36.488 -1.153 1.00 34.82 ? 598 GLY A CA 1 ATOM 4450 C C . GLY A 1 292 ? -9.154 -36.323 -2.595 1.00 33.77 ? 598 GLY A C 1 ATOM 4451 O O . GLY A 1 292 ? -10.070 -37.003 -3.052 1.00 35.35 ? 598 GLY A O 1 ATOM 4452 H H . GLY A 1 292 ? -8.196 -34.966 -0.059 1.00 42.72 ? 598 GLY A H 1 ATOM 4453 H HA2 . GLY A 1 292 ? -7.804 -36.740 -1.131 1.00 41.79 ? 598 GLY A HA2 1 ATOM 4454 H HA3 . GLY A 1 292 ? -9.260 -37.211 -0.768 1.00 41.79 ? 598 GLY A HA3 1 ATOM 4455 N N . ILE A 1 293 ? -8.499 -35.410 -3.316 1.00 34.70 ? 599 ILE A N 1 ATOM 4456 C CA . ILE A 1 293 ? -8.800 -35.218 -4.730 1.00 37.48 ? 599 ILE A CA 1 ATOM 4457 C C . ILE A 1 293 ? -8.549 -36.525 -5.466 1.00 27.92 ? 599 ILE A C 1 ATOM 4458 O O . ILE A 1 293 ? -7.563 -37.223 -5.207 1.00 31.88 ? 599 ILE A O 1 ATOM 4459 C CB . ILE A 1 293 ? -7.947 -34.080 -5.325 1.00 38.00 ? 599 ILE A CB 1 ATOM 4460 C CG1 . ILE A 1 293 ? -8.034 -34.022 -6.856 1.00 46.29 ? 599 ILE A CG1 1 ATOM 4461 C CG2 . ILE A 1 293 ? -6.482 -34.262 -4.971 1.00 39.42 ? 599 ILE A CG2 1 ATOM 4462 C CD1 . ILE A 1 293 ? -9.410 -33.702 -7.441 1.00 47.91 ? 599 ILE A CD1 1 ATOM 4463 H H . ILE A 1 293 ? -7.882 -34.895 -3.010 1.00 41.64 ? 599 ILE A H 1 ATOM 4464 H HA . ILE A 1 293 ? -9.736 -34.984 -4.831 1.00 44.97 ? 599 ILE A HA 1 ATOM 4465 H HB . ILE A 1 293 ? -8.255 -33.235 -4.961 1.00 45.60 ? 599 ILE A HB 1 ATOM 4466 H HG12 . ILE A 1 293 ? -7.421 -33.340 -7.171 1.00 55.55 ? 599 ILE A HG12 1 ATOM 4467 H HG13 . ILE A 1 293 ? -7.764 -34.885 -7.210 1.00 55.55 ? 599 ILE A HG13 1 ATOM 4468 H HG21 . ILE A 1 293 ? -5.971 -33.533 -5.357 1.00 47.30 ? 599 ILE A HG21 1 ATOM 4469 H HG22 . ILE A 1 293 ? -6.388 -34.256 -4.005 1.00 47.30 ? 599 ILE A HG22 1 ATOM 4470 H HG23 . ILE A 1 293 ? -6.173 -35.109 -5.329 1.00 47.30 ? 599 ILE A HG23 1 ATOM 4471 H HD11 . ILE A 1 293 ? -9.347 -33.692 -8.408 1.00 57.50 ? 599 ILE A HD11 1 ATOM 4472 H HD12 . ILE A 1 293 ? -10.040 -34.384 -7.157 1.00 57.50 ? 599 ILE A HD12 1 ATOM 4473 H HD13 . ILE A 1 293 ? -9.696 -32.833 -7.118 1.00 57.50 ? 599 ILE A HD13 1 ATOM 4474 N N . ASN A 1 294 ? -9.434 -36.841 -6.400 1.00 31.80 ? 600 ASN A N 1 ATOM 4475 C CA . ASN A 1 294 ? -9.311 -38.043 -7.214 1.00 38.61 ? 600 ASN A CA 1 ATOM 4476 C C . ASN A 1 294 ? -9.444 -39.290 -6.350 1.00 37.72 ? 600 ASN A C 1 ATOM 4477 O O . ASN A 1 294 ? -8.737 -40.278 -6.544 1.00 38.90 ? 600 ASN A O 1 ATOM 4478 C CB . ASN A 1 294 ? -7.998 -38.055 -7.995 1.00 41.51 ? 600 ASN A CB 1 ATOM 4479 C CG . ASN A 1 294 ? -7.920 -36.943 -9.004 1.00 43.39 ? 600 ASN A CG 1 ATOM 4480 O OD1 . ASN A 1 294 ? -8.934 -36.491 -9.539 1.00 50.26 ? 600 ASN A OD1 1 ATOM 4481 N ND2 . ASN A 1 294 ? -6.714 -36.496 -9.280 1.00 50.11 ? 600 ASN A ND2 1 ATOM 4482 H H . ASN A 1 294 ? -10.127 -36.368 -6.586 1.00 38.15 ? 600 ASN A H 1 ATOM 4483 H HA . ASN A 1 294 ? -10.035 -38.055 -7.859 1.00 46.33 ? 600 ASN A HA 1 ATOM 4484 H HB2 . ASN A 1 294 ? -7.259 -37.951 -7.375 1.00 49.81 ? 600 ASN A HB2 1 ATOM 4485 H HB3 . ASN A 1 294 ? -7.918 -38.898 -8.469 1.00 49.81 ? 600 ASN A HB3 1 ATOM 4486 H HD21 . ASN A 1 294 ? -6.610 -35.861 -9.851 1.00 60.13 ? 600 ASN A HD21 1 ATOM 4487 H HD22 . ASN A 1 294 ? -6.028 -36.840 -8.890 1.00 60.13 ? 600 ASN A HD22 1 ATOM 4488 N N . SER A 1 295 ? -10.342 -39.225 -5.372 1.00 31.22 ? 601 SER A N 1 ATOM 4489 C CA . SER A 1 295 ? -10.720 -40.372 -4.566 1.00 30.50 ? 601 SER A CA 1 ATOM 4490 C C . SER A 1 295 ? -12.109 -40.088 -4.016 1.00 30.86 ? 601 SER A C 1 ATOM 4491 O O . SER A 1 295 ? -12.595 -38.963 -4.067 1.00 26.06 ? 601 SER A O 1 ATOM 4492 C CB . SER A 1 295 ? -9.704 -40.640 -3.450 1.00 35.97 ? 601 SER A CB 1 ATOM 4493 O OG . SER A 1 295 ? -9.748 -39.639 -2.445 1.00 34.91 ? 601 SER A OG 1 ATOM 4494 H H . SER A 1 295 ? -10.756 -38.503 -5.153 1.00 37.47 ? 601 SER A H 1 ATOM 4495 H HA . SER A 1 295 ? -10.769 -41.159 -5.130 1.00 36.60 ? 601 SER A HA 1 ATOM 4496 H HB2 . SER A 1 295 ? -9.905 -41.499 -3.045 1.00 43.17 ? 601 SER A HB2 1 ATOM 4497 H HB3 . SER A 1 295 ? -8.814 -40.658 -3.835 1.00 43.17 ? 601 SER A HB3 1 ATOM 4498 H HG . SER A 1 295 ? -9.574 -38.889 -2.779 1.00 41.89 ? 601 SER A HG 1 ATOM 4499 N N . GLY A 1 296 ? -12.760 -41.118 -3.536 1.00 27.17 ? 602 GLY A N 1 ATOM 4500 C CA . GLY A 1 296 ? -14.017 -40.930 -2.851 1.00 21.57 ? 602 GLY A CA 1 ATOM 4501 C C . GLY A 1 296 ? -15.200 -40.778 -3.780 1.00 20.87 ? 602 GLY A C 1 ATOM 4502 O O . GLY A 1 296 ? -15.135 -40.963 -4.994 1.00 25.52 ? 602 GLY A O 1 ATOM 4503 H H . GLY A 1 296 ? -12.500 -41.936 -3.593 1.00 32.61 ? 602 GLY A H 1 ATOM 4504 H HA2 . GLY A 1 296 ? -14.182 -41.691 -2.273 1.00 25.88 ? 602 GLY A HA2 1 ATOM 4505 H HA3 . GLY A 1 296 ? -13.963 -40.135 -2.297 1.00 25.88 ? 602 GLY A HA3 1 ATOM 4506 N N . THR A 1 297 ? -16.320 -40.415 -3.168 1.00 25.33 ? 603 THR A N 1 ATOM 4507 C CA . THR A 1 297 ? -17.600 -40.387 -3.863 1.00 26.95 ? 603 THR A CA 1 ATOM 4508 C C . THR A 1 297 ? -18.334 -39.054 -3.700 1.00 27.68 ? 603 THR A C 1 ATOM 4509 O O . THR A 1 297 ? -19.562 -39.003 -3.861 1.00 26.27 ? 603 THR A O 1 ATOM 4510 C CB . THR A 1 297 ? -18.469 -41.537 -3.363 1.00 36.58 ? 603 THR A CB 1 ATOM 4511 O OG1 . THR A 1 297 ? -18.671 -41.394 -1.965 1.00 32.75 ? 603 THR A OG1 1 ATOM 4512 C CG2 . THR A 1 297 ? -17.769 -42.890 -3.615 1.00 38.94 ? 603 THR A CG2 1 ATOM 4513 H H . THR A 1 297 ? -16.366 -40.177 -2.343 1.00 30.40 ? 603 THR A H 1 ATOM 4514 H HA . THR A 1 297 ? -17.444 -40.524 -4.810 1.00 32.35 ? 603 THR A HA 1 ATOM 4515 H HB . THR A 1 297 ? -19.323 -41.533 -3.823 1.00 43.90 ? 603 THR A HB 1 ATOM 4516 H HG1 . THR A 1 297 ? -19.149 -42.023 -1.678 1.00 39.30 ? 603 THR A HG1 1 ATOM 4517 H HG21 . THR A 1 297 ? -18.327 -43.616 -3.295 1.00 46.73 ? 603 THR A HG21 1 ATOM 4518 H HG22 . THR A 1 297 ? -17.611 -43.009 -4.564 1.00 46.73 ? 603 THR A HG22 1 ATOM 4519 H HG23 . THR A 1 297 ? -16.920 -42.916 -3.148 1.00 46.73 ? 603 THR A HG23 1 ATOM 4520 N N . THR A 1 298 ? -17.609 -37.968 -3.426 1.00 26.51 ? 604 THR A N 1 ATOM 4521 C CA . THR A 1 298 ? -18.154 -36.615 -3.522 1.00 22.97 ? 604 THR A CA 1 ATOM 4522 C C . THR A 1 298 ? -17.703 -36.094 -4.880 1.00 24.10 ? 604 THR A C 1 ATOM 4523 O O . THR A 1 298 ? -16.568 -35.629 -5.036 1.00 20.89 ? 604 THR A O 1 ATOM 4524 C CB . THR A 1 298 ? -17.648 -35.739 -2.383 1.00 26.02 ? 604 THR A CB 1 ATOM 4525 O OG1 . THR A 1 298 ? -17.661 -36.487 -1.147 1.00 28.80 ? 604 THR A OG1 1 ATOM 4526 C CG2 . THR A 1 298 ? -18.502 -34.504 -2.239 1.00 28.59 ? 604 THR A CG2 1 ATOM 4527 H H . THR A 1 298 ? -16.786 -37.990 -3.178 1.00 31.82 ? 604 THR A H 1 ATOM 4528 H HA . THR A 1 298 ? -19.123 -36.643 -3.497 1.00 27.57 ? 604 THR A HA 1 ATOM 4529 H HB . THR A 1 298 ? -16.740 -35.458 -2.576 1.00 31.22 ? 604 THR A HB 1 ATOM 4530 H HG1 . THR A 1 298 ? -17.166 -37.161 -1.215 1.00 34.55 ? 604 THR A HG1 1 ATOM 4531 H HG21 . THR A 1 298 ? -18.170 -33.955 -1.512 1.00 34.31 ? 604 THR A HG21 1 ATOM 4532 H HG22 . THR A 1 298 ? -18.478 -33.988 -3.060 1.00 34.31 ? 604 THR A HG22 1 ATOM 4533 H HG23 . THR A 1 298 ? -19.420 -34.756 -2.052 1.00 34.31 ? 604 THR A HG23 1 ATOM 4534 N N . CYS A 1 299 ? -18.581 -36.168 -5.865 1.00 24.15 ? 605 CYS A N 1 ATOM 4535 C CA A CYS A 1 299 ? -18.171 -36.062 -7.260 0.58 27.79 ? 605 CYS A CA 1 ATOM 4536 C CA B CYS A 1 299 ? -18.192 -36.074 -7.265 0.42 27.79 ? 605 CYS A CA 1 ATOM 4537 C C . CYS A 1 299 ? -18.917 -34.935 -7.957 1.00 24.72 ? 605 CYS A C 1 ATOM 4538 O O . CYS A 1 299 ? -20.119 -34.749 -7.756 1.00 28.37 ? 605 CYS A O 1 ATOM 4539 C CB A CYS A 1 299 ? -18.380 -37.389 -8.032 0.58 30.07 ? 605 CYS A CB 1 ATOM 4540 C CB B CYS A 1 299 ? -18.529 -37.374 -8.019 0.42 30.00 ? 605 CYS A CB 1 ATOM 4541 S SG A CYS A 1 299 ? -17.348 -38.806 -7.480 0.58 20.27 ? 605 CYS A SG 1 ATOM 4542 S SG B CYS A 1 299 ? -18.762 -38.837 -6.983 0.42 29.05 ? 605 CYS A SG 1 ATOM 4543 H H . CYS A 1 299 ? -19.427 -36.277 -5.751 1.00 28.98 ? 605 CYS A H 1 ATOM 4544 H HA . CYS A 1 299 ? -17.231 -35.884 -7.309 1.00 33.34 ? 605 CYS A HA 1 ATOM 4545 H HB2 A CYS A 1 299 ? -19.309 -37.653 -7.941 0.58 36.08 ? 605 CYS A HB2 1 ATOM 4546 H HB2 B CYS A 1 299 ? -19.351 -37.236 -8.516 0.42 36.00 ? 605 CYS A HB2 1 ATOM 4547 H HB3 A CYS A 1 299 ? -18.180 -37.233 -8.969 0.58 36.08 ? 605 CYS A HB3 1 ATOM 4548 H HB3 B CYS A 1 299 ? -17.806 -37.567 -8.636 0.42 36.00 ? 605 CYS A HB3 1 ATOM 4549 H HG B CYS A 1 299 ? -17.752 -39.046 -6.370 0.42 34.85 ? 605 CYS A HG 1 ATOM 4550 N N . SER A 1 300 ? -18.179 -34.203 -8.791 1.00 25.96 ? 606 SER A N 1 ATOM 4551 C CA . SER A 1 300 ? -18.758 -33.203 -9.680 1.00 27.85 ? 606 SER A CA 1 ATOM 4552 C C . SER A 1 300 ? -19.492 -33.851 -10.853 1.00 30.37 ? 606 SER A C 1 ATOM 4553 O O . SER A 1 300 ? -18.944 -34.719 -11.546 1.00 30.51 ? 606 SER A O 1 ATOM 4554 C CB . SER A 1 300 ? -17.662 -32.288 -10.223 1.00 29.25 ? 606 SER A CB 1 ATOM 4555 O OG . SER A 1 300 ? -18.094 -31.684 -11.419 1.00 26.04 ? 606 SER A OG 1 ATOM 4556 H H . SER A 1 300 ? -17.324 -34.271 -8.860 1.00 31.16 ? 606 SER A H 1 ATOM 4557 H HA . SER A 1 300 ? -19.392 -32.660 -9.184 1.00 33.42 ? 606 SER A HA 1 ATOM 4558 H HB2 . SER A 1 300 ? -17.469 -31.598 -9.569 1.00 35.10 ? 606 SER A HB2 1 ATOM 4559 H HB3 . SER A 1 300 ? -16.866 -32.813 -10.400 1.00 35.10 ? 606 SER A HB3 1 ATOM 4560 H HG . SER A 1 300 ? -18.785 -31.229 -11.278 1.00 31.24 ? 606 SER A HG 1 ATOM 4561 N N . ASN A 1 301 ? -20.735 -33.416 -11.073 1.00 29.07 ? 607 ASN A N 1 ATOM 4562 C CA . ASN A 1 301 ? -21.534 -33.788 -12.233 1.00 30.93 ? 607 ASN A CA 1 ATOM 4563 C C . ASN A 1 301 ? -21.502 -32.728 -13.330 1.00 40.30 ? 607 ASN A C 1 ATOM 4564 O O . ASN A 1 301 ? -22.387 -32.716 -14.192 1.00 38.51 ? 607 ASN A O 1 ATOM 4565 C CB . ASN A 1 301 ? -22.984 -34.037 -11.814 1.00 36.71 ? 607 ASN A CB 1 ATOM 4566 C CG . ASN A 1 301 ? -23.231 -35.478 -11.390 1.00 47.56 ? 607 ASN A CG 1 ATOM 4567 O OD1 . ASN A 1 301 ? -22.369 -36.346 -11.563 1.00 48.68 ? 607 ASN A OD1 1 ATOM 4568 N ND2 . ASN A 1 301 ? -24.412 -35.742 -10.837 1.00 51.58 ? 607 ASN A ND2 1 ATOM 4569 H H . ASN A 1 301 ? -21.148 -32.883 -10.540 1.00 34.88 ? 607 ASN A H 1 ATOM 4570 H HA . ASN A 1 301 ? -21.185 -34.613 -12.605 1.00 37.12 ? 607 ASN A HA 1 ATOM 4571 H HB2 . ASN A 1 301 ? -23.200 -33.462 -11.064 1.00 44.05 ? 607 ASN A HB2 1 ATOM 4572 H HB3 . ASN A 1 301 ? -23.568 -33.840 -12.563 1.00 44.05 ? 607 ASN A HB3 1 ATOM 4573 H HD21 . ASN A 1 301 ? -24.597 -36.542 -10.581 1.00 61.89 ? 607 ASN A HD21 1 ATOM 4574 H HD22 . ASN A 1 301 ? -24.989 -35.113 -10.735 1.00 61.89 ? 607 ASN A HD22 1 ATOM 4575 N N . ASP A 1 302 ? -20.523 -31.818 -13.301 1.00 34.30 ? 608 ASP A N 1 ATOM 4576 C CA . ASP A 1 302 ? -20.509 -30.733 -14.274 1.00 38.00 ? 608 ASP A CA 1 ATOM 4577 C C . ASP A 1 302 ? -20.221 -31.226 -15.675 1.00 36.43 ? 608 ASP A C 1 ATOM 4578 O O . ASP A 1 302 ? -20.562 -30.530 -16.629 1.00 39.18 ? 608 ASP A O 1 ATOM 4579 C CB . ASP A 1 302 ? -19.460 -29.686 -13.924 1.00 30.94 ? 608 ASP A CB 1 ATOM 4580 C CG . ASP A 1 302 ? -19.765 -28.973 -12.629 1.00 33.42 ? 608 ASP A CG 1 ATOM 4581 O OD1 . ASP A 1 302 ? -20.617 -28.053 -12.643 1.00 31.51 ? 608 ASP A OD1 1 ATOM 4582 O OD2 . ASP A 1 302 ? -19.149 -29.351 -11.611 1.00 31.68 ? 608 ASP A OD2 1 ATOM 4583 H H . ASP A 1 302 ? -19.871 -31.809 -12.739 1.00 41.16 ? 608 ASP A H 1 ATOM 4584 H HA . ASP A 1 302 ? -21.377 -30.300 -14.279 1.00 45.59 ? 608 ASP A HA 1 ATOM 4585 H HB2 . ASP A 1 302 ? -18.598 -30.121 -13.832 1.00 37.13 ? 608 ASP A HB2 1 ATOM 4586 H HB3 . ASP A 1 302 ? -19.425 -29.024 -14.632 1.00 37.13 ? 608 ASP A HB3 1 ATOM 4587 N N . LEU A 1 303 ? -19.581 -32.390 -15.804 1.00 44.42 ? 609 LEU A N 1 ATOM 4588 C CA . LEU A 1 303 ? -19.180 -32.965 -17.082 1.00 49.99 ? 609 LEU A CA 1 ATOM 4589 C C . LEU A 1 303 ? -19.947 -34.254 -17.350 1.00 47.66 ? 609 LEU A C 1 ATOM 4590 O O . LEU A 1 303 ? -20.274 -35.007 -16.429 1.00 53.73 ? 609 LEU A O 1 ATOM 4591 C CB . LEU A 1 303 ? -17.678 -33.294 -17.108 1.00 46.60 ? 609 LEU A CB 1 ATOM 4592 C CG . LEU A 1 303 ? -16.713 -32.178 -16.724 1.00 42.14 ? 609 LEU A CG 1 ATOM 4593 C CD1 . LEU A 1 303 ? -15.257 -32.631 -16.746 1.00 40.35 ? 609 LEU A CD1 1 ATOM 4594 C CD2 . LEU A 1 303 ? -16.899 -31.027 -17.663 1.00 53.26 ? 609 LEU A CD2 1 ATOM 4595 H H . LEU A 1 303 ? -19.361 -32.881 -15.134 1.00 53.30 ? 609 LEU A H 1 ATOM 4596 H HA . LEU A 1 303 ? -19.371 -32.337 -17.796 1.00 59.99 ? 609 LEU A HA 1 ATOM 4597 H HB2 . LEU A 1 303 ? -17.521 -34.030 -16.496 1.00 55.92 ? 609 LEU A HB2 1 ATOM 4598 H HB3 . LEU A 1 303 ? -17.447 -33.573 -18.008 1.00 55.92 ? 609 LEU A HB3 1 ATOM 4599 H HG . LEU A 1 303 ? -16.921 -31.873 -15.827 1.00 50.56 ? 609 LEU A HG 1 ATOM 4600 H HD11 . LEU A 1 303 ? -14.691 -31.885 -16.494 1.00 48.42 ? 609 LEU A HD11 1 ATOM 4601 H HD12 . LEU A 1 303 ? -15.144 -33.360 -16.116 1.00 48.42 ? 609 LEU A HD12 1 ATOM 4602 H HD13 . LEU A 1 303 ? -15.034 -32.930 -17.641 1.00 48.42 ? 609 LEU A HD13 1 ATOM 4603 H HD21 . LEU A 1 303 ? -16.284 -30.318 -17.418 1.00 63.91 ? 609 LEU A HD21 1 ATOM 4604 H HD22 . LEU A 1 303 ? -16.716 -31.325 -18.568 1.00 63.91 ? 609 LEU A HD22 1 ATOM 4605 H HD23 . LEU A 1 303 ? -17.813 -30.711 -17.597 1.00 63.91 ? 609 LEU A HD23 1 ATOM 4606 N N . LEU A 1 304 ? -20.222 -34.509 -18.626 1.00 65.52 ? 610 LEU A N 1 ATOM 4607 C CA . LEU A 1 304 ? -20.626 -35.842 -19.048 1.00 74.17 ? 610 LEU A CA 1 ATOM 4608 C C . LEU A 1 304 ? -19.390 -36.728 -19.067 1.00 63.47 ? 610 LEU A C 1 ATOM 4609 O O . LEU A 1 304 ? -18.687 -36.793 -20.081 1.00 74.53 ? 610 LEU A O 1 ATOM 4610 C CB . LEU A 1 304 ? -21.289 -35.812 -20.430 1.00 78.53 ? 610 LEU A CB 1 ATOM 4611 C CG . LEU A 1 304 ? -22.548 -34.950 -20.580 1.00 98.39 ? 610 LEU A CG 1 ATOM 4612 C CD1 . LEU A 1 304 ? -23.015 -34.874 -22.044 1.00 76.39 ? 610 LEU A CD1 1 ATOM 4613 C CD2 . LEU A 1 304 ? -23.664 -35.467 -19.665 1.00 94.55 ? 610 LEU A CD2 1 ATOM 4614 N N . GLN A 1 305 ? -19.096 -37.384 -17.953 1.00 63.80 ? 611 GLN A N 1 ATOM 4615 C CA . GLN A 1 305 ? -17.930 -38.255 -17.896 1.00 78.48 ? 611 GLN A CA 1 ATOM 4616 C C . GLN A 1 305 ? -18.102 -39.397 -18.893 1.00 70.75 ? 611 GLN A C 1 ATOM 4617 O O . GLN A 1 305 ? -18.985 -40.247 -18.716 1.00 72.06 ? 611 GLN A O 1 ATOM 4618 C CB . GLN A 1 305 ? -17.721 -38.799 -16.475 1.00 83.91 ? 611 GLN A CB 1 ATOM 4619 C CG . GLN A 1 305 ? -17.568 -37.729 -15.368 1.00 71.65 ? 611 GLN A CG 1 ATOM 4620 C CD . GLN A 1 305 ? -16.297 -36.882 -15.497 1.00 59.68 ? 611 GLN A CD 1 ATOM 4621 O OE1 . GLN A 1 305 ? -16.229 -35.966 -16.312 1.00 71.98 ? 611 GLN A OE1 1 ATOM 4622 N NE2 . GLN A 1 305 ? -15.293 -37.189 -14.689 1.00 53.02 ? 611 GLN A NE2 1 ATOM 4623 N N . PRO A 1 306 ? -17.305 -39.436 -19.972 1.00 71.11 ? 612 PRO A N 1 ATOM 4624 C CA . PRO A 1 306 ? -17.324 -40.604 -20.859 1.00 74.93 ? 612 PRO A CA 1 ATOM 4625 C C . PRO A 1 306 ? -16.633 -41.781 -20.197 1.00 70.74 ? 612 PRO A C 1 ATOM 4626 O O . PRO A 1 306 ? -15.407 -41.776 -20.033 1.00 68.24 ? 612 PRO A O 1 ATOM 4627 C CB . PRO A 1 306 ? -16.557 -40.122 -22.095 1.00 72.00 ? 612 PRO A CB 1 ATOM 4628 C CG . PRO A 1 306 ? -15.574 -39.133 -21.532 1.00 73.89 ? 612 PRO A CG 1 ATOM 4629 C CD . PRO A 1 306 ? -16.306 -38.437 -20.398 1.00 84.24 ? 612 PRO A CD 1 ATOM 4630 N N . ASN A 1 307 ? -17.411 -42.781 -19.797 1.00 75.98 ? 613 ASN A N 1 ATOM 4631 C CA . ASN A 1 307 ? -16.850 -43.917 -19.080 1.00 75.35 ? 613 ASN A CA 1 ATOM 4632 C C . ASN A 1 307 ? -15.859 -44.663 -19.956 1.00 67.20 ? 613 ASN A C 1 ATOM 4633 O O . ASN A 1 307 ? -16.155 -44.997 -21.105 1.00 68.96 ? 613 ASN A O 1 ATOM 4634 C CB . ASN A 1 307 ? -17.962 -44.853 -18.629 1.00 67.37 ? 613 ASN A CB 1 ATOM 4635 C CG . ASN A 1 307 ? -18.879 -44.211 -17.620 1.00 65.36 ? 613 ASN A CG 1 ATOM 4636 O OD1 . ASN A 1 307 ? -18.606 -44.234 -16.412 1.00 52.97 ? 613 ASN A OD1 1 ATOM 4637 N ND2 . ASN A 1 307 ? -19.983 -43.640 -18.103 1.00 56.51 ? 613 ASN A ND2 1 ATOM 4638 N N . THR A 1 308 ? -14.680 -44.918 -19.411 1.00 59.23 ? 614 THR A N 1 ATOM 4639 C CA . THR A 1 308 ? -13.641 -45.601 -20.156 1.00 65.71 ? 614 THR A CA 1 ATOM 4640 C C . THR A 1 308 ? -13.805 -47.116 -20.044 1.00 60.59 ? 614 THR A C 1 ATOM 4641 O O . THR A 1 308 ? -14.634 -47.634 -19.290 1.00 53.74 ? 614 THR A O 1 ATOM 4642 C CB . THR A 1 308 ? -12.263 -45.172 -19.656 1.00 76.45 ? 614 THR A CB 1 ATOM 4643 O OG1 . THR A 1 308 ? -12.107 -45.569 -18.286 1.00 86.00 ? 614 THR A OG1 1 ATOM 4644 C CG2 . THR A 1 308 ? -12.120 -43.668 -19.759 1.00 80.33 ? 614 THR A CG2 1 ATOM 4645 N N . GLU A 1 309 ? -12.985 -47.827 -20.806 1.00 54.49 ? 615 GLU A N 1 ATOM 4646 C CA . GLU A 1 309 ? -13.061 -49.274 -20.851 1.00 51.86 ? 615 GLU A CA 1 ATOM 4647 C C . GLU A 1 309 ? -12.690 -49.877 -19.505 1.00 45.04 ? 615 GLU A C 1 ATOM 4648 O O . GLU A 1 309 ? -11.976 -49.279 -18.696 1.00 45.93 ? 615 GLU A O 1 ATOM 4649 C CB . GLU A 1 309 ? -12.103 -49.841 -21.889 1.00 55.55 ? 615 GLU A CB 1 ATOM 4650 C CG . GLU A 1 309 ? -12.124 -49.194 -23.240 1.00 70.43 ? 615 GLU A CG 1 ATOM 4651 C CD . GLU A 1 309 ? -10.865 -49.518 -24.025 1.00 86.08 ? 615 GLU A CD 1 ATOM 4652 O OE1 . GLU A 1 309 ? -10.501 -50.718 -24.101 1.00 79.15 ? 615 GLU A OE1 1 ATOM 4653 O OE2 . GLU A 1 309 ? -10.230 -48.568 -24.540 1.00 87.14 ? 615 GLU A OE2 1 ATOM 4654 H H . GLU A 1 309 ? -12.374 -47.491 -21.309 1.00 65.38 ? 615 GLU A H 1 ATOM 4655 H HA . GLU A 1 309 ? -13.964 -49.548 -21.078 1.00 62.23 ? 615 GLU A HA 1 ATOM 4656 H HB2 . GLU A 1 309 ? -11.199 -49.758 -21.545 1.00 66.66 ? 615 GLU A HB2 1 ATOM 4657 H HB3 . GLU A 1 309 ? -12.313 -50.779 -22.016 1.00 66.66 ? 615 GLU A HB3 1 ATOM 4658 H HG2 . GLU A 1 309 ? -12.888 -49.522 -23.741 1.00 84.52 ? 615 GLU A HG2 1 ATOM 4659 H HG3 . GLU A 1 309 ? -12.179 -48.231 -23.134 1.00 84.52 ? 615 GLU A HG3 1 ATOM 4660 N N . VAL A 1 310 ? -13.161 -51.102 -19.282 1.00 40.68 ? 616 VAL A N 1 ATOM 4661 C CA . VAL A 1 310 ? -12.630 -51.942 -18.216 1.00 41.97 ? 616 VAL A CA 1 ATOM 4662 C C . VAL A 1 310 ? -11.493 -52.738 -18.849 1.00 46.72 ? 616 VAL A C 1 ATOM 4663 O O . VAL A 1 310 ? -11.700 -53.794 -19.441 1.00 45.40 ? 616 VAL A O 1 ATOM 4664 C CB . VAL A 1 310 ? -13.699 -52.841 -17.601 1.00 33.11 ? 616 VAL A CB 1 ATOM 4665 C CG1 . VAL A 1 310 ? -13.094 -53.679 -16.487 1.00 35.01 ? 616 VAL A CG1 1 ATOM 4666 C CG2 . VAL A 1 310 ? -14.866 -52.007 -17.097 1.00 38.45 ? 616 VAL A CG2 1 ATOM 4667 H H . VAL A 1 310 ? -13.792 -51.469 -19.736 1.00 48.82 ? 616 VAL A H 1 ATOM 4668 H HA . VAL A 1 310 ? -12.260 -51.382 -17.516 1.00 50.36 ? 616 VAL A HA 1 ATOM 4669 H HB . VAL A 1 310 ? -14.034 -53.445 -18.282 1.00 39.74 ? 616 VAL A HB 1 ATOM 4670 H HG11 . VAL A 1 310 ? -13.785 -54.244 -16.106 1.00 42.01 ? 616 VAL A HG11 1 ATOM 4671 H HG12 . VAL A 1 310 ? -12.383 -54.227 -16.855 1.00 42.01 ? 616 VAL A HG12 1 ATOM 4672 H HG13 . VAL A 1 310 ? -12.738 -53.087 -15.806 1.00 42.01 ? 616 VAL A HG13 1 ATOM 4673 H HG21 . VAL A 1 310 ? -15.532 -52.598 -16.711 1.00 46.14 ? 616 VAL A HG21 1 ATOM 4674 H HG22 . VAL A 1 310 ? -14.543 -51.388 -16.424 1.00 46.14 ? 616 VAL A HG22 1 ATOM 4675 H HG23 . VAL A 1 310 ? -15.249 -51.518 -17.842 1.00 46.14 ? 616 VAL A HG23 1 ATOM 4676 N N . PHE A 1 311 ? -10.270 -52.232 -18.712 1.00 47.29 ? 617 PHE A N 1 ATOM 4677 C CA . PHE A 1 311 ? -9.114 -52.941 -19.252 1.00 43.70 ? 617 PHE A CA 1 ATOM 4678 C C . PHE A 1 311 ? -8.949 -54.295 -18.564 1.00 38.52 ? 617 PHE A C 1 ATOM 4679 O O . PHE A 1 311 ? -8.928 -54.391 -17.334 1.00 40.93 ? 617 PHE A O 1 ATOM 4680 C CB . PHE A 1 311 ? -7.850 -52.094 -19.084 1.00 50.55 ? 617 PHE A CB 1 ATOM 4681 C CG . PHE A 1 311 ? -7.912 -50.756 -19.783 1.00 47.71 ? 617 PHE A CG 1 ATOM 4682 C CD1 . PHE A 1 311 ? -7.843 -50.668 -21.169 1.00 49.48 ? 617 PHE A CD1 1 ATOM 4683 C CD2 . PHE A 1 311 ? -8.034 -49.586 -19.050 1.00 51.95 ? 617 PHE A CD2 1 ATOM 4684 C CE1 . PHE A 1 311 ? -7.897 -49.433 -21.807 1.00 52.01 ? 617 PHE A CE1 1 ATOM 4685 C CE2 . PHE A 1 311 ? -8.088 -48.361 -19.677 1.00 48.83 ? 617 PHE A CE2 1 ATOM 4686 C CZ . PHE A 1 311 ? -8.016 -48.285 -21.062 1.00 49.92 ? 617 PHE A CZ 1 ATOM 4687 H H . PHE A 1 311 ? -10.084 -51.491 -18.316 1.00 56.75 ? 617 PHE A H 1 ATOM 4688 H HA . PHE A 1 311 ? -9.250 -53.097 -20.200 1.00 52.44 ? 617 PHE A HA 1 ATOM 4689 H HB2 . PHE A 1 311 ? -7.709 -51.929 -18.139 1.00 60.66 ? 617 PHE A HB2 1 ATOM 4690 H HB3 . PHE A 1 311 ? -7.096 -52.584 -19.448 1.00 60.66 ? 617 PHE A HB3 1 ATOM 4691 H HD1 . PHE A 1 311 ? -7.760 -51.444 -21.676 1.00 59.38 ? 617 PHE A HD1 1 ATOM 4692 H HD2 . PHE A 1 311 ? -8.080 -49.628 -18.123 1.00 62.34 ? 617 PHE A HD2 1 ATOM 4693 H HE1 . PHE A 1 311 ? -7.850 -49.384 -22.734 1.00 62.41 ? 617 PHE A HE1 1 ATOM 4694 H HE2 . PHE A 1 311 ? -8.170 -47.584 -19.173 1.00 58.59 ? 617 PHE A HE2 1 ATOM 4695 H HZ . PHE A 1 311 ? -8.055 -47.458 -21.485 1.00 59.91 ? 617 PHE A HZ 1 ATOM 4696 N N . THR A 1 312 ? -8.833 -55.350 -19.354 1.00 33.81 ? 618 THR A N 1 ATOM 4697 C CA . THR A 1 312 ? -8.764 -56.703 -18.820 1.00 34.44 ? 618 THR A CA 1 ATOM 4698 C C . THR A 1 312 ? -7.377 -57.288 -19.046 1.00 44.37 ? 618 THR A C 1 ATOM 4699 O O . THR A 1 312 ? -6.601 -56.804 -19.875 1.00 40.70 ? 618 THR A O 1 ATOM 4700 C CB . THR A 1 312 ? -9.809 -57.620 -19.477 1.00 43.93 ? 618 THR A CB 1 ATOM 4701 O OG1 . THR A 1 312 ? -9.532 -57.723 -20.882 1.00 45.11 ? 618 THR A OG1 1 ATOM 4702 C CG2 . THR A 1 312 ? -11.240 -57.085 -19.260 1.00 39.53 ? 618 THR A CG2 1 ATOM 4703 H H . THR A 1 312 ? -8.792 -55.310 -20.212 1.00 40.57 ? 618 THR A H 1 ATOM 4704 H HA . THR A 1 312 ? -8.935 -56.681 -17.865 1.00 41.33 ? 618 THR A HA 1 ATOM 4705 H HB . THR A 1 312 ? -9.753 -58.502 -19.077 1.00 52.72 ? 618 THR A HB 1 ATOM 4706 H HG1 . THR A 1 312 ? -8.765 -58.046 -21.001 1.00 54.13 ? 618 THR A HG1 1 ATOM 4707 H HG21 . THR A 1 312 ? -11.883 -57.676 -19.681 1.00 47.44 ? 618 THR A HG21 1 ATOM 4708 H HG22 . THR A 1 312 ? -11.434 -57.033 -18.311 1.00 47.44 ? 618 THR A HG22 1 ATOM 4709 H HG23 . THR A 1 312 ? -11.325 -56.199 -19.647 1.00 47.44 ? 618 THR A HG23 1 ATOM 4710 N N . ASP A 1 313 ? -7.076 -58.356 -18.302 1.00 37.23 ? 619 ASP A N 1 ATOM 4711 C CA . ASP A 1 313 ? -5.871 -59.153 -18.512 1.00 44.98 ? 619 ASP A CA 1 ATOM 4712 C C . ASP A 1 313 ? -4.590 -58.385 -18.217 1.00 48.36 ? 619 ASP A C 1 ATOM 4713 O O . ASP A 1 313 ? -3.516 -58.779 -18.681 1.00 43.99 ? 619 ASP A O 1 ATOM 4714 C CB . ASP A 1 313 ? -5.821 -59.692 -19.952 1.00 49.62 ? 619 ASP A CB 1 ATOM 4715 C CG . ASP A 1 313 ? -7.080 -60.435 -20.336 1.00 50.38 ? 619 ASP A CG 1 ATOM 4716 O OD1 . ASP A 1 313 ? -7.525 -61.297 -19.547 1.00 53.20 ? 619 ASP A OD1 1 ATOM 4717 O OD2 . ASP A 1 313 ? -7.636 -60.132 -21.411 1.00 60.01 ? 619 ASP A OD2 1 ATOM 4718 H H . ASP A 1 313 ? -7.567 -58.643 -17.657 1.00 44.67 ? 619 ASP A H 1 ATOM 4719 H HA . ASP A 1 313 ? -5.899 -59.917 -17.915 1.00 53.98 ? 619 ASP A HA 1 ATOM 4720 H HB2 . ASP A 1 313 ? -5.712 -58.949 -20.566 1.00 59.55 ? 619 ASP A HB2 1 ATOM 4721 H HB3 . ASP A 1 313 ? -5.073 -60.304 -20.036 1.00 59.55 ? 619 ASP A HB3 1 ATOM 4722 N N . VAL A 1 314 ? -4.671 -57.290 -17.466 1.00 40.24 ? 620 VAL A N 1 ATOM 4723 C CA . VAL A 1 314 ? -3.504 -56.456 -17.190 1.00 42.14 ? 620 VAL A CA 1 ATOM 4724 C C . VAL A 1 314 ? -3.643 -55.877 -15.783 1.00 46.97 ? 620 VAL A C 1 ATOM 4725 O O . VAL A 1 314 ? -4.741 -55.513 -15.352 1.00 40.97 ? 620 VAL A O 1 ATOM 4726 C CB . VAL A 1 314 ? -3.364 -55.346 -18.256 1.00 49.26 ? 620 VAL A CB 1 ATOM 4727 C CG1 . VAL A 1 314 ? -4.619 -54.490 -18.306 1.00 44.66 ? 620 VAL A CG1 1 ATOM 4728 C CG2 . VAL A 1 314 ? -2.172 -54.493 -17.963 1.00 60.57 ? 620 VAL A CG2 1 ATOM 4729 H H . VAL A 1 314 ? -5.396 -57.006 -17.101 1.00 48.29 ? 620 VAL A H 1 ATOM 4730 H HA . VAL A 1 314 ? -2.705 -57.005 -17.216 1.00 50.56 ? 620 VAL A HA 1 ATOM 4731 H HB . VAL A 1 314 ? -3.239 -55.753 -19.128 1.00 59.11 ? 620 VAL A HB 1 ATOM 4732 H HG11 . VAL A 1 314 ? -4.505 -53.803 -18.981 1.00 53.60 ? 620 VAL A HG11 1 ATOM 4733 H HG12 . VAL A 1 314 ? -5.376 -55.053 -18.531 1.00 53.60 ? 620 VAL A HG12 1 ATOM 4734 H HG13 . VAL A 1 314 ? -4.757 -54.082 -17.437 1.00 53.60 ? 620 VAL A HG13 1 ATOM 4735 H HG21 . VAL A 1 314 ? -2.103 -53.804 -18.642 1.00 72.68 ? 620 VAL A HG21 1 ATOM 4736 H HG22 . VAL A 1 314 ? -2.283 -54.087 -17.089 1.00 72.68 ? 620 VAL A HG22 1 ATOM 4737 H HG23 . VAL A 1 314 ? -1.377 -55.049 -17.972 1.00 72.68 ? 620 VAL A HG23 1 ATOM 4738 N N . CYS A 1 315 ? -2.532 -55.792 -15.059 1.00 41.09 ? 621 CYS A N 1 ATOM 4739 C CA . CYS A 1 315 ? -2.575 -55.182 -13.739 1.00 45.10 ? 621 CYS A CA 1 ATOM 4740 C C . CYS A 1 315 ? -2.969 -53.719 -13.860 1.00 43.91 ? 621 CYS A C 1 ATOM 4741 O O . CYS A 1 315 ? -2.394 -52.967 -14.649 1.00 40.24 ? 621 CYS A O 1 ATOM 4742 C CB . CYS A 1 315 ? -1.232 -55.293 -13.038 1.00 47.86 ? 621 CYS A CB 1 ATOM 4743 S SG . CYS A 1 315 ? -1.254 -54.605 -11.356 1.00 54.76 ? 621 CYS A SG 1 ATOM 4744 H H . CYS A 1 315 ? -1.757 -56.074 -15.304 1.00 49.30 ? 621 CYS A H 1 ATOM 4745 H HA . CYS A 1 315 ? -3.241 -55.634 -13.197 1.00 54.12 ? 621 CYS A HA 1 ATOM 4746 H HB2 . CYS A 1 315 ? -0.985 -56.229 -12.975 1.00 57.43 ? 621 CYS A HB2 1 ATOM 4747 H HB3 . CYS A 1 315 ? -0.567 -54.808 -13.551 1.00 57.43 ? 621 CYS A HB3 1 ATOM 4748 N N . VAL A 1 316 ? -3.960 -53.325 -13.078 1.00 41.48 ? 622 VAL A N 1 ATOM 4749 C CA . VAL A 1 316 ? -4.603 -52.027 -13.223 1.00 51.27 ? 622 VAL A CA 1 ATOM 4750 C C . VAL A 1 316 ? -4.931 -51.491 -11.839 1.00 40.33 ? 622 VAL A C 1 ATOM 4751 O O . VAL A 1 316 ? -5.337 -52.246 -10.948 1.00 41.37 ? 622 VAL A O 1 ATOM 4752 C CB . VAL A 1 316 ? -5.872 -52.149 -14.091 1.00 49.86 ? 622 VAL A CB 1 ATOM 4753 C CG1 . VAL A 1 316 ? -6.840 -51.035 -13.808 1.00 62.62 ? 622 VAL A CG1 1 ATOM 4754 C CG2 . VAL A 1 316 ? -5.494 -52.134 -15.536 1.00 58.35 ? 622 VAL A CG2 1 ATOM 4755 H H . VAL A 1 316 ? -4.287 -53.801 -12.441 1.00 49.78 ? 622 VAL A H 1 ATOM 4756 H HA . VAL A 1 316 ? -3.992 -51.410 -13.656 1.00 61.52 ? 622 VAL A HA 1 ATOM 4757 H HB . VAL A 1 316 ? -6.313 -52.992 -13.900 1.00 59.83 ? 622 VAL A HB 1 ATOM 4758 H HG11 . VAL A 1 316 ? -7.622 -51.146 -14.371 1.00 75.14 ? 622 VAL A HG11 1 ATOM 4759 H HG12 . VAL A 1 316 ? -7.097 -51.071 -12.873 1.00 75.14 ? 622 VAL A HG12 1 ATOM 4760 H HG13 . VAL A 1 316 ? -6.410 -50.188 -14.002 1.00 75.14 ? 622 VAL A HG13 1 ATOM 4761 H HG21 . VAL A 1 316 ? -6.299 -52.211 -16.073 1.00 70.01 ? 622 VAL A HG21 1 ATOM 4762 H HG22 . VAL A 1 316 ? -5.042 -51.299 -15.735 1.00 70.01 ? 622 VAL A HG22 1 ATOM 4763 H HG23 . VAL A 1 316 ? -4.903 -52.882 -15.715 1.00 70.01 ? 622 VAL A HG23 1 ATOM 4764 N N . ASP A 1 317 ? -4.742 -50.190 -11.651 1.00 39.77 ? 623 ASP A N 1 ATOM 4765 C CA . ASP A 1 317 ? -5.272 -49.536 -10.463 1.00 44.13 ? 623 ASP A CA 1 ATOM 4766 C C . ASP A 1 317 ? -6.726 -49.165 -10.730 1.00 34.14 ? 623 ASP A C 1 ATOM 4767 O O . ASP A 1 317 ? -7.078 -48.744 -11.837 1.00 36.79 ? 623 ASP A O 1 ATOM 4768 C CB . ASP A 1 317 ? -4.442 -48.294 -10.118 1.00 46.47 ? 623 ASP A CB 1 ATOM 4769 C CG . ASP A 1 317 ? -4.307 -47.354 -11.294 1.00 57.14 ? 623 ASP A CG 1 ATOM 4770 O OD1 . ASP A 1 317 ? -3.679 -47.746 -12.310 1.00 65.90 ? 623 ASP A OD1 1 ATOM 4771 O OD2 . ASP A 1 317 ? -4.849 -46.236 -11.219 1.00 60.07 ? 623 ASP A OD2 1 ATOM 4772 H H . ASP A 1 317 ? -4.317 -49.670 -12.188 1.00 47.72 ? 623 ASP A H 1 ATOM 4773 H HA . ASP A 1 317 ? -5.241 -50.149 -9.712 1.00 52.96 ? 623 ASP A HA 1 ATOM 4774 H HB2 . ASP A 1 317 ? -4.875 -47.813 -9.395 1.00 55.76 ? 623 ASP A HB2 1 ATOM 4775 H HB3 . ASP A 1 317 ? -3.552 -48.570 -9.848 1.00 55.76 ? 623 ASP A HB3 1 ATOM 4776 N N . TYR A 1 318 ? -7.578 -49.346 -9.726 1.00 30.13 ? 624 TYR A N 1 ATOM 4777 C CA . TYR A 1 318 ? -9.007 -49.155 -9.925 1.00 36.19 ? 624 TYR A CA 1 ATOM 4778 C C . TYR A 1 318 ? -9.601 -48.376 -8.763 1.00 35.40 ? 624 TYR A C 1 ATOM 4779 O O . TYR A 1 318 ? -9.074 -48.374 -7.651 1.00 33.81 ? 624 TYR A O 1 ATOM 4780 C CB . TYR A 1 318 ? -9.760 -50.506 -10.083 1.00 35.61 ? 624 TYR A CB 1 ATOM 4781 C CG . TYR A 1 318 ? -9.697 -51.470 -8.920 1.00 33.70 ? 624 TYR A CG 1 ATOM 4782 C CD1 . TYR A 1 318 ? -10.485 -51.298 -7.798 1.00 34.27 ? 624 TYR A CD1 1 ATOM 4783 C CD2 . TYR A 1 318 ? -8.878 -52.588 -8.969 1.00 33.81 ? 624 TYR A CD2 1 ATOM 4784 C CE1 . TYR A 1 318 ? -10.435 -52.193 -6.746 1.00 38.60 ? 624 TYR A CE1 1 ATOM 4785 C CE2 . TYR A 1 318 ? -8.827 -53.485 -7.927 1.00 36.84 ? 624 TYR A CE2 1 ATOM 4786 C CZ . TYR A 1 318 ? -9.607 -53.291 -6.831 1.00 33.45 ? 624 TYR A CZ 1 ATOM 4787 O OH . TYR A 1 318 ? -9.553 -54.189 -5.806 1.00 36.78 ? 624 TYR A OH 1 ATOM 4788 H H . TYR A 1 318 ? -7.356 -49.576 -8.928 1.00 36.15 ? 624 TYR A H 1 ATOM 4789 H HA . TYR A 1 318 ? -9.146 -48.638 -10.734 1.00 43.43 ? 624 TYR A HA 1 ATOM 4790 H HB2 . TYR A 1 318 ? -10.697 -50.311 -10.242 1.00 42.73 ? 624 TYR A HB2 1 ATOM 4791 H HB3 . TYR A 1 318 ? -9.395 -50.966 -10.855 1.00 42.73 ? 624 TYR A HB3 1 ATOM 4792 H HD1 . TYR A 1 318 ? -11.048 -50.560 -7.743 1.00 41.12 ? 624 TYR A HD1 1 ATOM 4793 H HD2 . TYR A 1 318 ? -8.345 -52.730 -9.718 1.00 40.57 ? 624 TYR A HD2 1 ATOM 4794 H HE1 . TYR A 1 318 ? -10.968 -52.065 -5.995 1.00 46.32 ? 624 TYR A HE1 1 ATOM 4795 H HE2 . TYR A 1 318 ? -8.268 -54.227 -7.977 1.00 44.21 ? 624 TYR A HE2 1 ATOM 4796 H HH . TYR A 1 318 ? -10.071 -53.953 -5.188 1.00 44.13 ? 624 TYR A HH 1 ATOM 4797 N N . ASP A 1 319 ? -10.741 -47.753 -9.036 1.00 31.25 ? 625 ASP A N 1 ATOM 4798 C CA . ASP A 1 319 ? -11.517 -47.038 -8.024 1.00 34.84 ? 625 ASP A CA 1 ATOM 4799 C C . ASP A 1 319 ? -12.977 -47.341 -8.349 1.00 28.62 ? 625 ASP A C 1 ATOM 4800 O O . ASP A 1 319 ? -13.560 -46.706 -9.236 1.00 27.88 ? 625 ASP A O 1 ATOM 4801 C CB . ASP A 1 319 ? -11.212 -45.540 -8.065 1.00 34.28 ? 625 ASP A CB 1 ATOM 4802 C CG . ASP A 1 319 ? -11.813 -44.769 -6.891 1.00 42.86 ? 625 ASP A CG 1 ATOM 4803 O OD1 . ASP A 1 319 ? -12.858 -45.199 -6.345 1.00 36.32 ? 625 ASP A OD1 1 ATOM 4804 O OD2 . ASP A 1 319 ? -11.238 -43.715 -6.529 1.00 42.31 ? 625 ASP A OD2 1 ATOM 4805 H H . ASP A 1 319 ? -11.096 -47.728 -9.819 1.00 37.50 ? 625 ASP A H 1 ATOM 4806 H HA . ASP A 1 319 ? -11.310 -47.381 -7.141 1.00 41.81 ? 625 ASP A HA 1 ATOM 4807 H HB2 . ASP A 1 319 ? -10.250 -45.414 -8.042 1.00 41.14 ? 625 ASP A HB2 1 ATOM 4808 H HB3 . ASP A 1 319 ? -11.574 -45.167 -8.883 1.00 41.14 ? 625 ASP A HB3 1 ATOM 4809 N N . LEU A 1 320 ? -13.554 -48.324 -7.645 1.00 34.46 ? 626 LEU A N 1 ATOM 4810 C CA . LEU A 1 320 ? -14.838 -48.914 -8.011 1.00 37.95 ? 626 LEU A CA 1 ATOM 4811 C C . LEU A 1 320 ? -15.844 -48.639 -6.908 1.00 25.60 ? 626 LEU A C 1 ATOM 4812 O O . LEU A 1 320 ? -15.754 -49.217 -5.818 1.00 32.08 ? 626 LEU A O 1 ATOM 4813 C CB . LEU A 1 320 ? -14.715 -50.427 -8.249 1.00 30.03 ? 626 LEU A CB 1 ATOM 4814 C CG . LEU A 1 320 ? -13.782 -50.874 -9.381 1.00 36.42 ? 626 LEU A CG 1 ATOM 4815 C CD1 . LEU A 1 320 ? -13.716 -52.384 -9.462 1.00 36.37 ? 626 LEU A CD1 1 ATOM 4816 C CD2 . LEU A 1 320 ? -14.216 -50.320 -10.711 1.00 34.26 ? 626 LEU A CD2 1 ATOM 4817 H H . LEU A 1 320 ? -13.208 -48.670 -6.938 1.00 41.36 ? 626 LEU A H 1 ATOM 4818 H HA . LEU A 1 320 ? -15.161 -48.502 -8.828 1.00 45.54 ? 626 LEU A HA 1 ATOM 4819 H HB2 . LEU A 1 320 ? -14.390 -50.836 -7.432 1.00 36.03 ? 626 LEU A HB2 1 ATOM 4820 H HB3 . LEU A 1 320 ? -15.598 -50.774 -8.452 1.00 36.03 ? 626 LEU A HB3 1 ATOM 4821 H HG . LEU A 1 320 ? -12.888 -50.546 -9.199 1.00 43.71 ? 626 LEU A HG 1 ATOM 4822 H HD11 . LEU A 1 320 ? -13.120 -52.635 -10.185 1.00 43.65 ? 626 LEU A HD11 1 ATOM 4823 H HD12 . LEU A 1 320 ? -13.381 -52.731 -8.621 1.00 43.65 ? 626 LEU A HD12 1 ATOM 4824 H HD13 . LEU A 1 320 ? -14.606 -52.730 -9.632 1.00 43.65 ? 626 LEU A HD13 1 ATOM 4825 H HD21 . LEU A 1 320 ? -13.601 -50.626 -11.396 1.00 41.11 ? 626 LEU A HD21 1 ATOM 4826 H HD22 . LEU A 1 320 ? -15.113 -50.635 -10.906 1.00 41.11 ? 626 LEU A HD22 1 ATOM 4827 H HD23 . LEU A 1 320 ? -14.208 -49.351 -10.667 1.00 41.11 ? 626 LEU A HD23 1 ATOM 4828 N N . TYR A 1 321 ? -16.825 -47.796 -7.215 1.00 29.64 ? 627 TYR A N 1 ATOM 4829 C CA . TYR A 1 321 ? -17.899 -47.467 -6.279 1.00 32.00 ? 627 TYR A CA 1 ATOM 4830 C C . TYR A 1 321 ? -17.315 -47.022 -4.944 1.00 36.92 ? 627 TYR A C 1 ATOM 4831 O O . TYR A 1 321 ? -17.776 -47.412 -3.866 1.00 27.77 ? 627 TYR A O 1 ATOM 4832 C CB . TYR A 1 321 ? -18.848 -48.650 -6.122 1.00 29.37 ? 627 TYR A CB 1 ATOM 4833 C CG . TYR A 1 321 ? -19.271 -49.197 -7.462 1.00 33.82 ? 627 TYR A CG 1 ATOM 4834 C CD1 . TYR A 1 321 ? -19.967 -48.406 -8.354 1.00 30.80 ? 627 TYR A CD1 1 ATOM 4835 C CD2 . TYR A 1 321 ? -18.961 -50.506 -7.841 1.00 33.92 ? 627 TYR A CD2 1 ATOM 4836 C CE1 . TYR A 1 321 ? -20.340 -48.873 -9.595 1.00 33.64 ? 627 TYR A CE1 1 ATOM 4837 C CE2 . TYR A 1 321 ? -19.336 -50.993 -9.098 1.00 29.30 ? 627 TYR A CE2 1 ATOM 4838 C CZ . TYR A 1 321 ? -20.037 -50.184 -9.959 1.00 33.33 ? 627 TYR A CZ 1 ATOM 4839 O OH . TYR A 1 321 ? -20.422 -50.643 -11.203 1.00 33.56 ? 627 TYR A OH 1 ATOM 4840 H H . TYR A 1 321 ? -16.892 -47.394 -7.972 1.00 35.57 ? 627 TYR A H 1 ATOM 4841 H HA . TYR A 1 321 ? -18.409 -46.725 -6.639 1.00 38.40 ? 627 TYR A HA 1 ATOM 4842 H HB2 . TYR A 1 321 ? -18.400 -49.357 -5.633 1.00 35.25 ? 627 TYR A HB2 1 ATOM 4843 H HB3 . TYR A 1 321 ? -19.643 -48.362 -5.646 1.00 35.25 ? 627 TYR A HB3 1 ATOM 4844 H HD1 . TYR A 1 321 ? -20.174 -47.531 -8.118 1.00 36.96 ? 627 TYR A HD1 1 ATOM 4845 H HD2 . TYR A 1 321 ? -18.488 -51.055 -7.258 1.00 40.71 ? 627 TYR A HD2 1 ATOM 4846 H HE1 . TYR A 1 321 ? -20.813 -48.324 -10.177 1.00 40.36 ? 627 TYR A HE1 1 ATOM 4847 H HE2 . TYR A 1 321 ? -19.131 -51.867 -9.341 1.00 35.16 ? 627 TYR A HE2 1 ATOM 4848 H HH . TYR A 1 321 ? -20.183 -51.442 -11.301 1.00 40.28 ? 627 TYR A HH 1 ATOM 4849 N N . GLY A 1 322 ? -16.246 -46.237 -5.023 1.00 30.80 ? 628 GLY A N 1 ATOM 4850 C CA . GLY A 1 322 ? -15.583 -45.744 -3.834 1.00 32.77 ? 628 GLY A CA 1 ATOM 4851 C C . GLY A 1 322 ? -14.456 -46.600 -3.299 1.00 34.05 ? 628 GLY A C 1 ATOM 4852 O O . GLY A 1 322 ? -13.729 -46.140 -2.419 1.00 41.96 ? 628 GLY A O 1 ATOM 4853 H H . GLY A 1 322 ? -15.887 -45.977 -5.760 1.00 36.96 ? 628 GLY A H 1 ATOM 4854 H HA2 . GLY A 1 322 ? -15.221 -44.864 -4.023 1.00 39.33 ? 628 GLY A HA2 1 ATOM 4855 H HA3 . GLY A 1 322 ? -16.242 -45.649 -3.128 1.00 39.33 ? 628 GLY A HA3 1 ATOM 4856 N N . ILE A 1 323 ? -14.297 -47.838 -3.764 1.00 34.28 ? 629 ILE A N 1 ATOM 4857 C CA . ILE A 1 323 ? -13.284 -48.751 -3.225 1.00 38.40 ? 629 ILE A CA 1 ATOM 4858 C C . ILE A 1 323 ? -12.095 -48.781 -4.174 1.00 41.26 ? 629 ILE A C 1 ATOM 4859 O O . ILE A 1 323 ? -12.269 -48.904 -5.391 1.00 36.73 ? 629 ILE A O 1 ATOM 4860 C CB . ILE A 1 323 ? -13.843 -50.169 -3.032 1.00 44.81 ? 629 ILE A CB 1 ATOM 4861 C CG1 . ILE A 1 323 ? -15.215 -50.136 -2.343 1.00 41.65 ? 629 ILE A CG1 1 ATOM 4862 C CG2 . ILE A 1 323 ? -12.836 -51.023 -2.229 1.00 43.90 ? 629 ILE A CG2 1 ATOM 4863 C CD1 . ILE A 1 323 ? -15.210 -49.549 -1.000 1.00 40.34 ? 629 ILE A CD1 1 ATOM 4864 H H . ILE A 1 323 ? -14.768 -48.179 -4.398 1.00 41.14 ? 629 ILE A H 1 ATOM 4865 H HA . ILE A 1 323 ? -12.981 -48.423 -2.364 1.00 46.08 ? 629 ILE A HA 1 ATOM 4866 H HB . ILE A 1 323 ? -13.954 -50.573 -3.907 1.00 53.78 ? 629 ILE A HB 1 ATOM 4867 H HG12 . ILE A 1 323 ? -15.824 -49.614 -2.889 1.00 49.97 ? 629 ILE A HG12 1 ATOM 4868 H HG13 . ILE A 1 323 ? -15.545 -51.045 -2.265 1.00 49.97 ? 629 ILE A HG13 1 ATOM 4869 H HG21 . ILE A 1 323 ? -13.200 -51.915 -2.114 1.00 52.67 ? 629 ILE A HG21 1 ATOM 4870 H HG22 . ILE A 1 323 ? -11.999 -51.067 -2.718 1.00 52.67 ? 629 ILE A HG22 1 ATOM 4871 H HG23 . ILE A 1 323 ? -12.692 -50.610 -1.363 1.00 52.67 ? 629 ILE A HG23 1 ATOM 4872 H HD11 . ILE A 1 323 ? -16.111 -49.569 -0.643 1.00 48.41 ? 629 ILE A HD11 1 ATOM 4873 H HD12 . ILE A 1 323 ? -14.617 -50.066 -0.432 1.00 48.41 ? 629 ILE A HD12 1 ATOM 4874 H HD13 . ILE A 1 323 ? -14.897 -48.632 -1.058 1.00 48.41 ? 629 ILE A HD13 1 ATOM 4875 N N . THR A 1 324 ? -10.888 -48.703 -3.626 1.00 32.64 ? 630 THR A N 1 ATOM 4876 C CA . THR A 1 324 ? -9.688 -48.613 -4.441 1.00 38.02 ? 630 THR A CA 1 ATOM 4877 C C . THR A 1 324 ? -8.851 -49.865 -4.263 1.00 37.64 ? 630 THR A C 1 ATOM 4878 O O . THR A 1 324 ? -8.992 -50.599 -3.288 1.00 37.80 ? 630 THR A O 1 ATOM 4879 C CB . THR A 1 324 ? -8.835 -47.393 -4.080 1.00 39.34 ? 630 THR A CB 1 ATOM 4880 O OG1 . THR A 1 324 ? -8.476 -47.454 -2.695 1.00 46.03 ? 630 THR A OG1 1 ATOM 4881 C CG2 . THR A 1 324 ? -9.580 -46.127 -4.361 1.00 35.36 ? 630 THR A CG2 1 ATOM 4882 H H . THR A 1 324 ? -10.738 -48.701 -2.780 1.00 39.17 ? 630 THR A H 1 ATOM 4883 H HA . THR A 1 324 ? -9.939 -48.544 -5.375 1.00 45.62 ? 630 THR A HA 1 ATOM 4884 H HB . THR A 1 324 ? -8.028 -47.397 -4.619 1.00 47.20 ? 630 THR A HB 1 ATOM 4885 H HG1 . THR A 1 324 ? -8.007 -46.787 -2.490 1.00 55.24 ? 630 THR A HG1 1 ATOM 4886 H HG21 . THR A 1 324 ? -9.032 -45.361 -4.130 1.00 42.44 ? 630 THR A HG21 1 ATOM 4887 H HG22 . THR A 1 324 ? -9.807 -46.079 -5.303 1.00 42.44 ? 630 THR A HG22 1 ATOM 4888 H HG23 . THR A 1 324 ? -10.397 -46.100 -3.839 1.00 42.44 ? 630 THR A HG23 1 ATOM 4889 N N . GLY A 1 325 ? -7.978 -50.086 -5.232 1.00 36.90 ? 631 GLY A N 1 ATOM 4890 C CA . GLY A 1 325 ? -7.113 -51.245 -5.237 1.00 40.95 ? 631 GLY A CA 1 ATOM 4891 C C . GLY A 1 325 ? -6.477 -51.368 -6.601 1.00 35.31 ? 631 GLY A C 1 ATOM 4892 O O . GLY A 1 325 ? -6.669 -50.520 -7.485 1.00 36.00 ? 631 GLY A O 1 ATOM 4893 H H . GLY A 1 325 ? -7.868 -49.568 -5.910 1.00 44.28 ? 631 GLY A H 1 ATOM 4894 H HA2 . GLY A 1 325 ? -6.418 -51.147 -4.568 1.00 49.14 ? 631 GLY A HA2 1 ATOM 4895 H HA3 . GLY A 1 325 ? -7.626 -52.047 -5.049 1.00 49.14 ? 631 GLY A HA3 1 ATOM 4896 N N . GLN A 1 326 ? -5.695 -52.431 -6.751 1.00 34.18 ? 632 GLN A N 1 ATOM 4897 C CA . GLN A 1 326 ? -5.150 -52.800 -8.047 1.00 39.71 ? 632 GLN A CA 1 ATOM 4898 C C . GLN A 1 326 ? -5.374 -54.288 -8.261 1.00 44.55 ? 632 GLN A C 1 ATOM 4899 O O . GLN A 1 326 ? -5.441 -55.067 -7.306 1.00 38.95 ? 632 GLN A O 1 ATOM 4900 C CB . GLN A 1 326 ? -3.660 -52.475 -8.186 1.00 45.90 ? 632 GLN A CB 1 ATOM 4901 C CG . GLN A 1 326 ? -2.780 -53.120 -7.136 1.00 55.23 ? 632 GLN A CG 1 ATOM 4902 C CD . GLN A 1 326 ? -1.306 -52.832 -7.360 1.00 77.17 ? 632 GLN A CD 1 ATOM 4903 O OE1 . GLN A 1 326 ? -0.936 -51.791 -7.916 1.00 77.83 ? 632 GLN A OE1 1 ATOM 4904 N NE2 . GLN A 1 326 ? -0.454 -53.760 -6.932 1.00 89.53 ? 632 GLN A NE2 1 ATOM 4905 H H . GLN A 1 326 ? -5.464 -52.957 -6.111 1.00 41.02 ? 632 GLN A H 1 ATOM 4906 H HA . GLN A 1 326 ? -5.629 -52.320 -8.741 1.00 47.66 ? 632 GLN A HA 1 ATOM 4907 H HB2 . GLN A 1 326 ? -3.355 -52.781 -9.054 1.00 55.08 ? 632 GLN A HB2 1 ATOM 4908 H HB3 . GLN A 1 326 ? -3.543 -51.515 -8.118 1.00 55.08 ? 632 GLN A HB3 1 ATOM 4909 H HG2 . GLN A 1 326 ? -3.025 -52.776 -6.262 1.00 66.28 ? 632 GLN A HG2 1 ATOM 4910 H HG3 . GLN A 1 326 ? -2.907 -54.081 -7.163 1.00 66.28 ? 632 GLN A HG3 1 ATOM 4911 H HE21 . GLN A 1 326 ? -0.750 -54.473 -6.553 1.00 107.44 ? 632 GLN A HE21 1 ATOM 4912 H HE22 . GLN A 1 326 ? 0.392 -53.646 -7.034 1.00 107.44 ? 632 GLN A HE22 1 ATOM 4913 N N . GLY A 1 327 ? -5.526 -54.665 -9.525 1.00 39.33 ? 633 GLY A N 1 ATOM 4914 C CA . GLY A 1 327 ? -5.733 -56.062 -9.852 1.00 35.84 ? 633 GLY A CA 1 ATOM 4915 C C . GLY A 1 327 ? -5.884 -56.237 -11.346 1.00 44.72 ? 633 GLY A C 1 ATOM 4916 O O . GLY A 1 327 ? -5.850 -55.275 -12.128 1.00 34.24 ? 633 GLY A O 1 ATOM 4917 H H . GLY A 1 327 ? -5.513 -54.136 -10.203 1.00 47.20 ? 633 GLY A H 1 ATOM 4918 H HA2 . GLY A 1 327 ? -4.976 -56.587 -9.549 1.00 43.01 ? 633 GLY A HA2 1 ATOM 4919 H HA3 . GLY A 1 327 ? -6.536 -56.387 -9.415 1.00 43.01 ? 633 GLY A HA3 1 ATOM 4920 N N . ILE A 1 328 ? -6.049 -57.499 -11.730 1.00 39.61 ? 634 ILE A N 1 ATOM 4921 C CA . ILE A 1 328 ? -6.271 -57.886 -13.114 1.00 35.67 ? 634 ILE A CA 1 ATOM 4922 C C . ILE A 1 328 ? -7.746 -58.230 -13.258 1.00 33.32 ? 634 ILE A C 1 ATOM 4923 O O . ILE A 1 328 ? -8.286 -59.024 -12.474 1.00 38.73 ? 634 ILE A O 1 ATOM 4924 C CB . ILE A 1 328 ? -5.374 -59.073 -13.510 1.00 42.76 ? 634 ILE A CB 1 ATOM 4925 C CG1 . ILE A 1 328 ? -3.900 -58.689 -13.324 1.00 46.62 ? 634 ILE A CG1 1 ATOM 4926 C CG2 . ILE A 1 328 ? -5.649 -59.508 -14.951 1.00 43.50 ? 634 ILE A CG2 1 ATOM 4927 C CD1 . ILE A 1 328 ? -2.955 -59.867 -13.308 1.00 45.95 ? 634 ILE A CD1 1 ATOM 4928 H H . ILE A 1 328 ? -6.036 -58.167 -11.188 1.00 47.53 ? 634 ILE A H 1 ATOM 4929 H HA . ILE A 1 328 ? -6.070 -57.137 -13.697 1.00 42.80 ? 634 ILE A HA 1 ATOM 4930 H HB . ILE A 1 328 ? -5.574 -59.818 -12.922 1.00 51.31 ? 634 ILE A HB 1 ATOM 4931 H HG12 . ILE A 1 328 ? -3.635 -58.107 -14.053 1.00 55.94 ? 634 ILE A HG12 1 ATOM 4932 H HG13 . ILE A 1 328 ? -3.804 -58.221 -12.480 1.00 55.94 ? 634 ILE A HG13 1 ATOM 4933 H HG21 . ILE A 1 328 ? -5.070 -60.255 -15.170 1.00 52.20 ? 634 ILE A HG21 1 ATOM 4934 H HG22 . ILE A 1 328 ? -6.578 -59.775 -15.028 1.00 52.20 ? 634 ILE A HG22 1 ATOM 4935 H HG23 . ILE A 1 328 ? -5.467 -58.763 -15.545 1.00 52.20 ? 634 ILE A HG23 1 ATOM 4936 H HD11 . ILE A 1 328 ? -2.049 -59.543 -13.187 1.00 55.14 ? 634 ILE A HD11 1 ATOM 4937 H HD12 . ILE A 1 328 ? -3.197 -60.455 -12.575 1.00 55.14 ? 634 ILE A HD12 1 ATOM 4938 H HD13 . ILE A 1 328 ? -3.028 -60.341 -14.151 1.00 55.14 ? 634 ILE A HD13 1 ATOM 4939 N N . PHE A 1 329 ? -8.395 -57.634 -14.250 1.00 30.32 ? 635 PHE A N 1 ATOM 4940 C CA . PHE A 1 329 ? -9.804 -57.875 -14.516 1.00 35.47 ? 635 PHE A CA 1 ATOM 4941 C C . PHE A 1 329 ? -9.915 -58.925 -15.605 1.00 35.16 ? 635 PHE A C 1 ATOM 4942 O O . PHE A 1 329 ? -9.207 -58.850 -16.610 1.00 30.00 ? 635 PHE A O 1 ATOM 4943 C CB . PHE A 1 329 ? -10.515 -56.603 -14.971 1.00 32.11 ? 635 PHE A CB 1 ATOM 4944 C CG . PHE A 1 329 ? -10.670 -55.570 -13.889 1.00 34.36 ? 635 PHE A CG 1 ATOM 4945 C CD1 . PHE A 1 329 ? -9.569 -54.870 -13.411 1.00 44.87 ? 635 PHE A CD1 1 ATOM 4946 C CD2 . PHE A 1 329 ? -11.922 -55.292 -13.353 1.00 34.40 ? 635 PHE A CD2 1 ATOM 4947 C CE1 . PHE A 1 329 ? -9.726 -53.900 -12.412 1.00 39.19 ? 635 PHE A CE1 1 ATOM 4948 C CE2 . PHE A 1 329 ? -12.077 -54.329 -12.370 1.00 36.30 ? 635 PHE A CE2 1 ATOM 4949 C CZ . PHE A 1 329 ? -10.977 -53.642 -11.898 1.00 34.22 ? 635 PHE A CZ 1 ATOM 4950 H H . PHE A 1 329 ? -8.032 -57.074 -14.792 1.00 36.38 ? 635 PHE A H 1 ATOM 4951 H HA . PHE A 1 329 ? -10.238 -58.207 -13.715 1.00 42.56 ? 635 PHE A HA 1 ATOM 4952 H HB2 . PHE A 1 329 ? -10.006 -56.201 -15.692 1.00 38.53 ? 635 PHE A HB2 1 ATOM 4953 H HB3 . PHE A 1 329 ? -11.402 -56.837 -15.286 1.00 38.53 ? 635 PHE A HB3 1 ATOM 4954 H HD1 . PHE A 1 329 ? -8.724 -55.042 -13.760 1.00 53.85 ? 635 PHE A HD1 1 ATOM 4955 H HD2 . PHE A 1 329 ? -12.668 -55.750 -13.669 1.00 41.28 ? 635 PHE A HD2 1 ATOM 4956 H HE1 . PHE A 1 329 ? -8.986 -53.435 -12.094 1.00 47.03 ? 635 PHE A HE1 1 ATOM 4957 H HE2 . PHE A 1 329 ? -12.920 -54.155 -12.019 1.00 43.56 ? 635 PHE A HE2 1 ATOM 4958 H HZ . PHE A 1 329 ? -11.082 -53.001 -11.233 1.00 41.07 ? 635 PHE A HZ 1 ATOM 4959 N N . LYS A 1 330 ? -10.792 -59.900 -15.402 1.00 31.46 ? 636 LYS A N 1 ATOM 4960 C CA . LYS A 1 330 ? -11.119 -60.864 -16.451 1.00 35.80 ? 636 LYS A CA 1 ATOM 4961 C C . LYS A 1 330 ? -12.631 -60.939 -16.567 1.00 24.15 ? 636 LYS A C 1 ATOM 4962 O O . LYS A 1 330 ? -13.319 -61.215 -15.582 1.00 28.21 ? 636 LYS A O 1 ATOM 4963 C CB . LYS A 1 330 ? -10.493 -62.222 -16.152 1.00 36.69 ? 636 LYS A CB 1 ATOM 4964 C CG . LYS A 1 330 ? -8.975 -62.222 -16.380 1.00 52.58 ? 636 LYS A CG 1 ATOM 4965 C CD . LYS A 1 330 ? -8.357 -63.597 -16.198 1.00 62.24 ? 636 LYS A CD 1 ATOM 4966 C CE . LYS A 1 330 ? -6.828 -63.543 -16.270 1.00 83.57 ? 636 LYS A CE 1 ATOM 4967 N NZ . LYS A 1 330 ? -6.183 -64.793 -15.745 1.00 98.66 ? 636 LYS A NZ 1 ATOM 4968 H H . LYS A 1 330 ? -11.215 -60.028 -14.664 1.00 37.76 ? 636 LYS A H 1 ATOM 4969 H HA . LYS A 1 330 ? -10.765 -60.547 -17.297 1.00 42.96 ? 636 LYS A HA 1 ATOM 4970 H HB2 . LYS A 1 330 ? -10.660 -62.451 -15.225 1.00 44.03 ? 636 LYS A HB2 1 ATOM 4971 H HB3 . LYS A 1 330 ? -10.886 -62.889 -16.737 1.00 44.03 ? 636 LYS A HB3 1 ATOM 4972 H HG2 . LYS A 1 330 ? -8.791 -61.927 -17.285 1.00 63.10 ? 636 LYS A HG2 1 ATOM 4973 H HG3 . LYS A 1 330 ? -8.560 -61.620 -15.743 1.00 63.10 ? 636 LYS A HG3 1 ATOM 4974 H HD2 . LYS A 1 330 ? -8.608 -63.948 -15.330 1.00 74.69 ? 636 LYS A HD2 1 ATOM 4975 H HD3 . LYS A 1 330 ? -8.673 -64.185 -16.902 1.00 74.69 ? 636 LYS A HD3 1 ATOM 4976 H HE2 . LYS A 1 330 ? -6.558 -63.431 -17.195 1.00 100.28 ? 636 LYS A HE2 1 ATOM 4977 H HE3 . LYS A 1 330 ? -6.512 -62.795 -15.738 1.00 100.28 ? 636 LYS A HE3 1 ATOM 4978 H HZ1 . LYS A 1 330 ? -5.297 -64.725 -15.803 1.00 118.39 ? 636 LYS A HZ1 1 ATOM 4979 H HZ2 . LYS A 1 330 ? -6.409 -64.917 -14.893 1.00 118.39 ? 636 LYS A HZ2 1 ATOM 4980 H HZ3 . LYS A 1 330 ? -6.451 -65.496 -16.221 1.00 118.39 ? 636 LYS A HZ3 1 ATOM 4981 N N . GLU A 1 331 ? -13.155 -60.617 -17.744 1.00 25.85 ? 637 GLU A N 1 ATOM 4982 C CA . GLU A 1 331 ? -14.594 -60.685 -17.924 1.00 31.10 ? 637 GLU A CA 1 ATOM 4983 C C . GLU A 1 331 ? -15.062 -62.132 -17.818 1.00 35.32 ? 637 GLU A C 1 ATOM 4984 O O . GLU A 1 331 ? -14.374 -63.056 -18.261 1.00 29.40 ? 637 GLU A O 1 ATOM 4985 C CB . GLU A 1 331 ? -15.002 -60.092 -19.262 1.00 31.12 ? 637 GLU A CB 1 ATOM 4986 C CG . GLU A 1 331 ? -16.503 -60.073 -19.446 1.00 32.55 ? 637 GLU A CG 1 ATOM 4987 C CD . GLU A 1 331 ? -16.915 -59.421 -20.737 1.00 35.15 ? 637 GLU A CD 1 ATOM 4988 O OE1 . GLU A 1 331 ? -16.022 -59.053 -21.535 1.00 42.40 ? 637 GLU A OE1 1 ATOM 4989 O OE2 . GLU A 1 331 ? -18.137 -59.262 -20.945 1.00 42.03 ? 637 GLU A OE2 1 ATOM 4990 H H . GLU A 1 331 ? -12.711 -60.363 -18.435 1.00 31.03 ? 637 GLU A H 1 ATOM 4991 H HA . GLU A 1 331 ? -15.028 -60.174 -17.222 1.00 37.32 ? 637 GLU A HA 1 ATOM 4992 H HB2 . GLU A 1 331 ? -14.679 -59.178 -19.316 1.00 37.34 ? 637 GLU A HB2 1 ATOM 4993 H HB3 . GLU A 1 331 ? -14.617 -60.624 -19.976 1.00 37.34 ? 637 GLU A HB3 1 ATOM 4994 H HG2 . GLU A 1 331 ? -16.834 -60.985 -19.451 1.00 39.06 ? 637 GLU A HG2 1 ATOM 4995 H HG3 . GLU A 1 331 ? -16.906 -59.577 -18.716 1.00 39.06 ? 637 GLU A HG3 1 ATOM 4996 N N . VAL A 1 332 ? -16.218 -62.327 -17.193 1.00 32.18 ? 638 VAL A N 1 ATOM 4997 C CA . VAL A 1 332 ? -16.797 -63.651 -17.029 1.00 31.66 ? 638 VAL A CA 1 ATOM 4998 C C . VAL A 1 332 ? -18.258 -63.569 -17.440 1.00 30.35 ? 638 VAL A C 1 ATOM 4999 O O . VAL A 1 332 ? -18.898 -62.520 -17.329 1.00 25.64 ? 638 VAL A O 1 ATOM 5000 C CB . VAL A 1 332 ? -16.647 -64.224 -15.585 1.00 30.35 ? 638 VAL A CB 1 ATOM 5001 C CG1 . VAL A 1 332 ? -15.182 -64.396 -15.217 1.00 32.00 ? 638 VAL A CG1 1 ATOM 5002 C CG2 . VAL A 1 332 ? -17.352 -63.395 -14.564 1.00 27.64 ? 638 VAL A CG2 1 ATOM 5003 H H . VAL A 1 332 ? -16.692 -61.696 -16.850 1.00 38.62 ? 638 VAL A H 1 ATOM 5004 H HA . VAL A 1 332 ? -16.353 -64.263 -17.636 1.00 38.00 ? 638 VAL A HA 1 ATOM 5005 H HB . VAL A 1 332 ? -17.052 -65.105 -15.566 1.00 36.42 ? 638 VAL A HB 1 ATOM 5006 H HG11 . VAL A 1 332 ? -15.122 -64.752 -14.316 1.00 38.40 ? 638 VAL A HG11 1 ATOM 5007 H HG12 . VAL A 1 332 ? -14.769 -65.010 -15.844 1.00 38.40 ? 638 VAL A HG12 1 ATOM 5008 H HG13 . VAL A 1 332 ? -14.742 -63.533 -15.261 1.00 38.40 ? 638 VAL A HG13 1 ATOM 5009 H HG21 . VAL A 1 332 ? -17.226 -63.797 -13.690 1.00 33.16 ? 638 VAL A HG21 1 ATOM 5010 H HG22 . VAL A 1 332 ? -16.981 -62.499 -14.574 1.00 33.16 ? 638 VAL A HG22 1 ATOM 5011 H HG23 . VAL A 1 332 ? -18.297 -63.365 -14.781 1.00 33.16 ? 638 VAL A HG23 1 ATOM 5012 N N . SER A 1 333 ? -18.771 -64.673 -17.977 1.00 23.34 ? 639 SER A N 1 ATOM 5013 C CA . SER A 1 333 ? -20.211 -64.822 -18.163 1.00 21.84 ? 639 SER A CA 1 ATOM 5014 C C . SER A 1 333 ? -20.924 -64.688 -16.819 1.00 24.71 ? 639 SER A C 1 ATOM 5015 O O . SER A 1 333 ? -20.375 -65.014 -15.769 1.00 24.63 ? 639 SER A O 1 ATOM 5016 C CB . SER A 1 333 ? -20.516 -66.189 -18.808 1.00 22.66 ? 639 SER A CB 1 ATOM 5017 O OG . SER A 1 333 ? -21.871 -66.308 -19.220 1.00 24.37 ? 639 SER A OG 1 ATOM 5018 H H . SER A 1 333 ? -18.308 -65.349 -18.241 1.00 28.01 ? 639 SER A H 1 ATOM 5019 H HA . SER A 1 333 ? -20.534 -64.124 -18.753 1.00 26.20 ? 639 SER A HA 1 ATOM 5020 H HB2 . SER A 1 333 ? -19.945 -66.300 -19.584 1.00 27.19 ? 639 SER A HB2 1 ATOM 5021 H HB3 . SER A 1 333 ? -20.327 -66.887 -18.162 1.00 27.19 ? 639 SER A HB3 1 ATOM 5022 H HG . SER A 1 333 ? -22.381 -66.220 -18.559 1.00 29.24 ? 639 SER A HG 1 ATOM 5023 N N . ALA A 1 334 ? -22.174 -64.214 -16.855 1.00 24.60 ? 640 ALA A N 1 ATOM 5024 C CA . ALA A 1 334 ? -22.843 -63.823 -15.620 1.00 24.32 ? 640 ALA A CA 1 ATOM 5025 C C . ALA A 1 334 ? -22.960 -64.978 -14.636 1.00 26.42 ? 640 ALA A C 1 ATOM 5026 O O . ALA A 1 334 ? -23.016 -64.752 -13.421 1.00 22.68 ? 640 ALA A O 1 ATOM 5027 C CB . ALA A 1 334 ? -24.233 -63.258 -15.933 1.00 24.00 ? 640 ALA A CB 1 ATOM 5028 H H . ALA A 1 334 ? -22.644 -64.113 -17.568 1.00 29.52 ? 640 ALA A H 1 ATOM 5029 H HA . ALA A 1 334 ? -22.327 -63.121 -15.194 1.00 29.18 ? 640 ALA A HA 1 ATOM 5030 H HB1 . ALA A 1 334 ? -24.664 -63.003 -15.103 1.00 28.80 ? 640 ALA A HB1 1 ATOM 5031 H HB2 . ALA A 1 334 ? -24.137 -62.483 -16.508 1.00 28.80 ? 640 ALA A HB2 1 ATOM 5032 H HB3 . ALA A 1 334 ? -24.757 -63.940 -16.382 1.00 28.80 ? 640 ALA A HB3 1 ATOM 5033 N N . VAL A 1 335 ? -22.962 -66.221 -15.123 1.00 21.43 ? 641 VAL A N 1 ATOM 5034 C CA . VAL A 1 335 ? -23.187 -67.341 -14.219 1.00 19.60 ? 641 VAL A CA 1 ATOM 5035 C C . VAL A 1 335 ? -22.081 -67.439 -13.177 1.00 21.49 ? 641 VAL A C 1 ATOM 5036 O O . VAL A 1 335 ? -22.273 -68.028 -12.102 1.00 20.45 ? 641 VAL A O 1 ATOM 5037 C CB . VAL A 1 335 ? -23.307 -68.658 -15.014 1.00 20.10 ? 641 VAL A CB 1 ATOM 5038 C CG1 . VAL A 1 335 ? -22.037 -68.971 -15.761 1.00 22.47 ? 641 VAL A CG1 1 ATOM 5039 C CG2 . VAL A 1 335 ? -23.666 -69.756 -14.083 1.00 22.96 ? 641 VAL A CG2 1 ATOM 5040 H H . VAL A 1 335 ? -22.840 -66.435 -15.947 1.00 25.72 ? 641 VAL A H 1 ATOM 5041 H HA . VAL A 1 335 ? -24.025 -67.200 -13.749 1.00 23.52 ? 641 VAL A HA 1 ATOM 5042 H HB . VAL A 1 335 ? -24.023 -68.570 -15.663 1.00 24.12 ? 641 VAL A HB 1 ATOM 5043 H HG11 . VAL A 1 335 ? -22.154 -69.803 -16.246 1.00 26.97 ? 641 VAL A HG11 1 ATOM 5044 H HG12 . VAL A 1 335 ? -21.850 -68.250 -16.381 1.00 26.97 ? 641 VAL A HG12 1 ATOM 5045 H HG13 . VAL A 1 335 ? -21.310 -69.058 -15.124 1.00 26.97 ? 641 VAL A HG13 1 ATOM 5046 H HG21 . VAL A 1 335 ? -23.741 -70.583 -14.585 1.00 27.56 ? 641 VAL A HG21 1 ATOM 5047 H HG22 . VAL A 1 335 ? -22.972 -69.839 -13.411 1.00 27.56 ? 641 VAL A HG22 1 ATOM 5048 H HG23 . VAL A 1 335 ? -24.514 -69.547 -13.660 1.00 27.56 ? 641 VAL A HG23 1 ATOM 5049 N N . TYR A 1 336 ? -20.890 -66.977 -13.507 1.00 24.50 ? 642 TYR A N 1 ATOM 5050 C CA . TYR A 1 336 ? -19.754 -67.133 -12.605 1.00 24.05 ? 642 TYR A CA 1 ATOM 5051 C C . TYR A 1 336 ? -19.641 -65.986 -11.615 1.00 23.65 ? 642 TYR A C 1 ATOM 5052 O O . TYR A 1 336 ? -18.701 -65.969 -10.820 1.00 30.98 ? 642 TYR A O 1 ATOM 5053 C CB . TYR A 1 336 ? -18.459 -67.246 -13.409 1.00 24.80 ? 642 TYR A CB 1 ATOM 5054 C CG . TYR A 1 336 ? -18.519 -68.348 -14.423 1.00 21.32 ? 642 TYR A CG 1 ATOM 5055 C CD1 . TYR A 1 336 ? -18.695 -69.672 -14.020 1.00 21.28 ? 642 TYR A CD1 1 ATOM 5056 C CD2 . TYR A 1 336 ? -18.445 -68.083 -15.783 1.00 24.93 ? 642 TYR A CD2 1 ATOM 5057 C CE1 . TYR A 1 336 ? -18.769 -70.704 -14.942 1.00 23.32 ? 642 TYR A CE1 1 ATOM 5058 C CE2 . TYR A 1 336 ? -18.525 -69.107 -16.699 1.00 25.13 ? 642 TYR A CE2 1 ATOM 5059 C CZ . TYR A 1 336 ? -18.683 -70.423 -16.264 1.00 22.69 ? 642 TYR A CZ 1 ATOM 5060 O OH . TYR A 1 336 ? -18.758 -71.455 -17.160 1.00 22.77 ? 642 TYR A OH 1 ATOM 5061 H H . TYR A 1 336 ? -20.708 -66.569 -14.243 1.00 29.40 ? 642 TYR A H 1 ATOM 5062 H HA . TYR A 1 336 ? -19.864 -67.954 -12.099 1.00 28.86 ? 642 TYR A HA 1 ATOM 5063 H HB2 . TYR A 1 336 ? -18.303 -66.411 -13.879 1.00 29.76 ? 642 TYR A HB2 1 ATOM 5064 H HB3 . TYR A 1 336 ? -17.724 -67.431 -12.804 1.00 29.76 ? 642 TYR A HB3 1 ATOM 5065 H HD1 . TYR A 1 336 ? -18.752 -69.868 -13.113 1.00 25.54 ? 642 TYR A HD1 1 ATOM 5066 H HD2 . TYR A 1 336 ? -18.337 -67.208 -16.077 1.00 29.92 ? 642 TYR A HD2 1 ATOM 5067 H HE1 . TYR A 1 336 ? -18.877 -71.582 -14.656 1.00 27.98 ? 642 TYR A HE1 1 ATOM 5068 H HE2 . TYR A 1 336 ? -18.464 -68.922 -17.608 1.00 30.16 ? 642 TYR A HE2 1 ATOM 5069 H HH . TYR A 1 336 ? -18.693 -71.159 -17.944 1.00 27.33 ? 642 TYR A HH 1 ATOM 5070 N N . TYR A 1 337 ? -20.558 -65.036 -11.663 1.00 25.13 ? 643 TYR A N 1 ATOM 5071 C CA . TYR A 1 337 ? -20.526 -63.855 -10.800 1.00 28.04 ? 643 TYR A CA 1 ATOM 5072 C C . TYR A 1 337 ? -21.467 -64.152 -9.624 1.00 31.13 ? 643 TYR A C 1 ATOM 5073 O O . TYR A 1 337 ? -22.684 -63.992 -9.731 1.00 38.20 ? 643 TYR A O 1 ATOM 5074 C CB . TYR A 1 337 ? -20.926 -62.606 -11.580 1.00 27.79 ? 643 TYR A CB 1 ATOM 5075 C CG . TYR A 1 337 ? -20.819 -61.322 -10.736 1.00 30.32 ? 643 TYR A CG 1 ATOM 5076 C CD1 . TYR A 1 337 ? -19.579 -60.773 -10.429 1.00 31.90 ? 643 TYR A CD1 1 ATOM 5077 C CD2 . TYR A 1 337 ? -21.955 -60.692 -10.232 1.00 41.19 ? 643 TYR A CD2 1 ATOM 5078 C CE1 . TYR A 1 337 ? -19.470 -59.611 -9.634 1.00 38.02 ? 643 TYR A CE1 1 ATOM 5079 C CE2 . TYR A 1 337 ? -21.856 -59.517 -9.439 1.00 38.39 ? 643 TYR A CE2 1 ATOM 5080 C CZ . TYR A 1 337 ? -20.615 -58.992 -9.143 1.00 35.05 ? 643 TYR A CZ 1 ATOM 5081 O OH . TYR A 1 337 ? -20.517 -57.837 -8.349 1.00 38.14 ? 643 TYR A OH 1 ATOM 5082 H H . TYR A 1 337 ? -21.230 -65.049 -12.200 1.00 30.15 ? 643 TYR A H 1 ATOM 5083 H HA . TYR A 1 337 ? -19.629 -63.729 -10.454 1.00 33.64 ? 643 TYR A HA 1 ATOM 5084 H HB2 . TYR A 1 337 ? -20.341 -62.511 -12.348 1.00 33.34 ? 643 TYR A HB2 1 ATOM 5085 H HB3 . TYR A 1 337 ? -21.846 -62.696 -11.873 1.00 33.34 ? 643 TYR A HB3 1 ATOM 5086 H HD1 . TYR A 1 337 ? -18.807 -61.183 -10.747 1.00 38.28 ? 643 TYR A HD1 1 ATOM 5087 H HD2 . TYR A 1 337 ? -22.794 -61.045 -10.423 1.00 49.43 ? 643 TYR A HD2 1 ATOM 5088 H HE1 . TYR A 1 337 ? -18.631 -59.258 -9.440 1.00 45.62 ? 643 TYR A HE1 1 ATOM 5089 H HE2 . TYR A 1 337 ? -22.625 -59.111 -9.110 1.00 46.07 ? 643 TYR A HE2 1 ATOM 5090 H HH . TYR A 1 337 ? -21.284 -57.576 -8.126 1.00 45.76 ? 643 TYR A HH 1 ATOM 5091 N N . ASN A 1 338 ? -20.897 -64.609 -8.508 1.00 41.85 ? 644 ASN A N 1 ATOM 5092 C CA . ASN A 1 338 ? -21.673 -65.186 -7.406 1.00 50.18 ? 644 ASN A CA 1 ATOM 5093 C C . ASN A 1 338 ? -22.116 -64.127 -6.389 1.00 66.21 ? 644 ASN A C 1 ATOM 5094 O O . ASN A 1 338 ? -21.832 -64.229 -5.193 1.00 44.49 ? 644 ASN A O 1 ATOM 5095 C CB . ASN A 1 338 ? -20.860 -66.274 -6.713 1.00 54.36 ? 644 ASN A CB 1 ATOM 5096 C CG . ASN A 1 338 ? -21.625 -66.942 -5.553 1.00 59.82 ? 644 ASN A CG 1 ATOM 5097 O OD1 . ASN A 1 338 ? -22.847 -66.827 -5.451 1.00 57.06 ? 644 ASN A OD1 1 ATOM 5098 N ND2 . ASN A 1 338 ? -20.901 -67.644 -4.683 1.00 59.49 ? 644 ASN A ND2 1 ATOM 5099 H HA . ASN A 1 338 ? -22.471 -65.599 -7.769 1.00 60.22 ? 644 ASN A HA 1 ATOM 5100 H HB2 . ASN A 1 338 ? -20.636 -66.961 -7.360 1.00 65.23 ? 644 ASN A HB2 1 ATOM 5101 H HB3 . ASN A 1 338 ? -20.050 -65.882 -6.352 1.00 65.23 ? 644 ASN A HB3 1 ATOM 5102 H HD21 . ASN A 1 338 ? -21.286 -68.034 -4.020 1.00 71.39 ? 644 ASN A HD21 1 ATOM 5103 H HD22 . ASN A 1 338 ? -20.050 -67.707 -4.784 1.00 71.39 ? 644 ASN A HD22 1 ATOM 5104 N N . SER A 1 339 ? -22.848 -63.116 -6.861 1.00 59.97 ? 645 SER A N 1 ATOM 5105 C CA . SER A 1 339 ? -23.587 -62.259 -5.934 1.00 66.59 ? 645 SER A CA 1 ATOM 5106 C C . SER A 1 339 ? -24.481 -61.312 -6.724 1.00 57.48 ? 645 SER A C 1 ATOM 5107 O O . SER A 1 339 ? -24.418 -61.240 -7.952 1.00 57.92 ? 645 SER A O 1 ATOM 5108 C CB . SER A 1 339 ? -22.664 -61.486 -4.974 1.00 64.00 ? 645 SER A CB 1 ATOM 5109 O OG . SER A 1 339 ? -22.016 -60.397 -5.589 1.00 62.82 ? 645 SER A OG 1 ATOM 5110 N N . TRP A 1 340 ? -25.344 -60.610 -5.988 1.00 67.14 ? 646 TRP A N 1 ATOM 5111 C CA . TRP A 1 340 ? -26.332 -59.698 -6.546 1.00 73.09 ? 646 TRP A CA 1 ATOM 5112 C C . TRP A 1 340 ? -25.866 -58.253 -6.513 1.00 75.96 ? 646 TRP A C 1 ATOM 5113 O O . TRP A 1 340 ? -26.491 -57.394 -7.151 1.00 69.06 ? 646 TRP A O 1 ATOM 5114 C CB . TRP A 1 340 ? -27.656 -59.812 -5.771 1.00 88.71 ? 646 TRP A CB 1 ATOM 5115 C CG . TRP A 1 340 ? -28.410 -61.080 -6.051 1.00 108.50 ? 646 TRP A CG 1 ATOM 5116 C CD1 . TRP A 1 340 ? -28.341 -62.250 -5.351 1.00 110.58 ? 646 TRP A CD1 1 ATOM 5117 C CD2 . TRP A 1 340 ? -29.343 -61.304 -7.117 1.00 114.60 ? 646 TRP A CD2 1 ATOM 5118 N NE1 . TRP A 1 340 ? -29.172 -63.189 -5.914 1.00 118.85 ? 646 TRP A NE1 1 ATOM 5119 C CE2 . TRP A 1 340 ? -29.800 -62.634 -6.999 1.00 117.34 ? 646 TRP A CE2 1 ATOM 5120 C CE3 . TRP A 1 340 ? -29.837 -60.510 -8.158 1.00 103.60 ? 646 TRP A CE3 1 ATOM 5121 C CZ2 . TRP A 1 340 ? -30.728 -63.188 -7.884 1.00 106.06 ? 646 TRP A CZ2 1 ATOM 5122 C CZ3 . TRP A 1 340 ? -30.759 -61.061 -9.035 1.00 106.79 ? 646 TRP A CZ3 1 ATOM 5123 C CH2 . TRP A 1 340 ? -31.193 -62.388 -8.892 1.00 94.75 ? 646 TRP A CH2 1 ATOM 5124 H H . TRP A 1 340 ? -25.373 -60.651 -5.130 1.00 80.57 ? 646 TRP A H 1 ATOM 5125 H HA . TRP A 1 340 ? -26.501 -59.940 -7.470 1.00 87.70 ? 646 TRP A HA 1 ATOM 5126 H HB2 . TRP A 1 340 ? -27.466 -59.784 -4.821 1.00 106.45 ? 646 TRP A HB2 1 ATOM 5127 H HB3 . TRP A 1 340 ? -28.227 -59.067 -6.015 1.00 106.45 ? 646 TRP A HB3 1 ATOM 5128 H HD1 . TRP A 1 340 ? -27.806 -62.392 -4.604 1.00 132.69 ? 646 TRP A HD1 1 ATOM 5129 H HE1 . TRP A 1 340 ? -29.282 -63.994 -5.631 1.00 142.62 ? 646 TRP A HE1 1 ATOM 5130 H HE3 . TRP A 1 340 ? -29.552 -59.630 -8.259 1.00 124.32 ? 646 TRP A HE3 1 ATOM 5131 H HZ2 . TRP A 1 340 ? -31.019 -64.066 -7.791 1.00 127.27 ? 646 TRP A HZ2 1 ATOM 5132 H HZ3 . TRP A 1 340 ? -31.093 -60.543 -9.731 1.00 128.14 ? 646 TRP A HZ3 1 ATOM 5133 H HH2 . TRP A 1 340 ? -31.813 -62.731 -9.495 1.00 113.70 ? 646 TRP A HH2 1 ATOM 5134 N N . GLN A 1 341 ? -24.792 -57.973 -5.783 1.00 47.34 ? 647 GLN A N 1 ATOM 5135 C CA . GLN A 1 341 ? -24.271 -56.627 -5.665 1.00 56.75 ? 647 GLN A CA 1 ATOM 5136 C C . GLN A 1 341 ? -23.341 -56.308 -6.835 1.00 47.19 ? 647 GLN A C 1 ATOM 5137 O O . GLN A 1 341 ? -23.027 -57.156 -7.677 1.00 51.87 ? 647 GLN A O 1 ATOM 5138 C CB . GLN A 1 341 ? -23.552 -56.467 -4.328 1.00 53.12 ? 647 GLN A CB 1 ATOM 5139 C CG . GLN A 1 341 ? -24.469 -56.682 -3.118 1.00 67.31 ? 647 GLN A CG 1 ATOM 5140 C CD . GLN A 1 341 ? -23.707 -56.782 -1.800 1.00 83.31 ? 647 GLN A CD 1 ATOM 5141 O OE1 . GLN A 1 341 ? -22.530 -57.154 -1.773 1.00 77.98 ? 647 GLN A OE1 1 ATOM 5142 N NE2 . GLN A 1 341 ? -24.378 -56.450 -0.700 1.00 82.14 ? 647 GLN A NE2 1 ATOM 5143 H H . GLN A 1 341 ? -24.344 -58.559 -5.341 1.00 56.81 ? 647 GLN A H 1 ATOM 5144 H HA . GLN A 1 341 ? -25.009 -55.998 -5.688 1.00 68.11 ? 647 GLN A HA 1 ATOM 5145 H HB2 . GLN A 1 341 ? -22.834 -57.117 -4.277 1.00 63.74 ? 647 GLN A HB2 1 ATOM 5146 H HB3 . GLN A 1 341 ? -23.189 -55.569 -4.272 1.00 63.74 ? 647 GLN A HB3 1 ATOM 5147 H HG2 . GLN A 1 341 ? -25.083 -55.933 -3.052 1.00 80.77 ? 647 GLN A HG2 1 ATOM 5148 H HG3 . GLN A 1 341 ? -24.965 -57.506 -3.241 1.00 80.77 ? 647 GLN A HG3 1 ATOM 5149 H HE21 . GLN A 1 341 ? -25.197 -56.194 -0.757 1.00 98.57 ? 647 GLN A HE21 1 ATOM 5150 H HE22 . GLN A 1 341 ? -23.992 -56.490 0.067 1.00 98.57 ? 647 GLN A HE22 1 ATOM 5151 N N . ASN A 1 342 ? -22.905 -55.057 -6.885 1.00 31.92 ? 648 ASN A N 1 ATOM 5152 C CA . ASN A 1 342 ? -21.988 -54.602 -7.922 1.00 35.99 ? 648 ASN A CA 1 ATOM 5153 C C . ASN A 1 342 ? -20.534 -54.883 -7.570 1.00 21.84 ? 648 ASN A C 1 ATOM 5154 O O . ASN A 1 342 ? -19.648 -54.650 -8.400 1.00 30.92 ? 648 ASN A O 1 ATOM 5155 C CB . ASN A 1 342 ? -22.183 -53.103 -8.178 1.00 38.90 ? 648 ASN A CB 1 ATOM 5156 C CG . ASN A 1 342 ? -23.157 -52.804 -9.323 1.00 62.39 ? 648 ASN A CG 1 ATOM 5157 O OD1 . ASN A 1 342 ? -23.733 -53.707 -9.937 1.00 61.97 ? 648 ASN A OD1 1 ATOM 5158 N ND2 . ASN A 1 342 ? -23.334 -51.513 -9.616 1.00 69.50 ? 648 ASN A ND2 1 ATOM 5159 H H . ASN A 1 342 ? -23.128 -54.445 -6.324 1.00 38.30 ? 648 ASN A H 1 ATOM 5160 H HA . ASN A 1 342 ? -22.190 -55.073 -8.746 1.00 43.19 ? 648 ASN A HA 1 ATOM 5161 H HB2 . ASN A 1 342 ? -22.533 -52.690 -7.373 1.00 46.68 ? 648 ASN A HB2 1 ATOM 5162 H HB3 . ASN A 1 342 ? -21.326 -52.709 -8.405 1.00 46.68 ? 648 ASN A HB3 1 ATOM 5163 H HD21 . ASN A 1 342 ? -23.869 -51.285 -10.250 1.00 83.40 ? 648 ASN A HD21 1 ATOM 5164 H HD22 . ASN A 1 342 ? -22.913 -50.909 -9.171 1.00 83.40 ? 648 ASN A HD22 1 ATOM 5165 N N . LEU A 1 343 ? -20.272 -55.347 -6.359 1.00 31.10 ? 649 LEU A N 1 ATOM 5166 C CA . LEU A 1 343 ? -18.946 -55.756 -5.936 1.00 30.52 ? 649 LEU A CA 1 ATOM 5167 C C . LEU A 1 343 ? -19.064 -57.079 -5.201 1.00 34.39 ? 649 LEU A C 1 ATOM 5168 O O . LEU A 1 343 ? -20.078 -57.361 -4.557 1.00 37.24 ? 649 LEU A O 1 ATOM 5169 C CB . LEU A 1 343 ? -18.273 -54.721 -5.014 1.00 37.65 ? 649 LEU A CB 1 ATOM 5170 C CG . LEU A 1 343 ? -17.829 -53.397 -5.625 1.00 29.58 ? 649 LEU A CG 1 ATOM 5171 C CD1 . LEU A 1 343 ? -17.308 -52.443 -4.523 1.00 41.01 ? 649 LEU A CD1 1 ATOM 5172 C CD2 . LEU A 1 343 ? -16.757 -53.560 -6.688 1.00 33.73 ? 649 LEU A CD2 1 ATOM 5173 H H . LEU A 1 343 ? -20.867 -55.438 -5.746 1.00 37.32 ? 649 LEU A H 1 ATOM 5174 H HA . LEU A 1 343 ? -18.383 -55.886 -6.715 1.00 36.62 ? 649 LEU A HA 1 ATOM 5175 H HB2 . LEU A 1 343 ? -18.896 -54.508 -4.301 1.00 45.18 ? 649 LEU A HB2 1 ATOM 5176 H HB3 . LEU A 1 343 ? -17.483 -55.134 -4.630 1.00 45.18 ? 649 LEU A HB3 1 ATOM 5177 H HG . LEU A 1 343 ? -18.596 -52.974 -6.042 1.00 35.49 ? 649 LEU A HG 1 ATOM 5178 H HD11 . LEU A 1 343 ? -17.032 -51.609 -4.933 1.00 49.21 ? 649 LEU A HD11 1 ATOM 5179 H HD12 . LEU A 1 343 ? -18.021 -52.279 -3.886 1.00 49.21 ? 649 LEU A HD12 1 ATOM 5180 H HD13 . LEU A 1 343 ? -16.554 -52.859 -4.077 1.00 49.21 ? 649 LEU A HD13 1 ATOM 5181 H HD21 . LEU A 1 343 ? -16.521 -52.685 -7.034 1.00 40.48 ? 649 LEU A HD21 1 ATOM 5182 H HD22 . LEU A 1 343 ? -15.979 -53.980 -6.289 1.00 40.48 ? 649 LEU A HD22 1 ATOM 5183 H HD23 . LEU A 1 343 ? -17.104 -54.116 -7.403 1.00 40.48 ? 649 LEU A HD23 1 ATOM 5184 N N . LEU A 1 344 ? -17.987 -57.855 -5.266 1.00 35.30 ? 650 LEU A N 1 ATOM 5185 C CA . LEU A 1 344 ? -17.942 -59.224 -4.773 1.00 30.46 ? 650 LEU A CA 1 ATOM 5186 C C . LEU A 1 344 ? -16.705 -59.352 -3.909 1.00 32.96 ? 650 LEU A C 1 ATOM 5187 O O . LEU A 1 344 ? -15.607 -58.998 -4.352 1.00 33.44 ? 650 LEU A O 1 ATOM 5188 C CB . LEU A 1 344 ? -17.898 -60.197 -5.955 1.00 46.59 ? 650 LEU A CB 1 ATOM 5189 C CG . LEU A 1 344 ? -18.033 -61.693 -5.714 1.00 53.68 ? 650 LEU A CG 1 ATOM 5190 C CD1 . LEU A 1 344 ? -19.407 -61.988 -5.156 1.00 65.30 ? 650 LEU A CD1 1 ATOM 5191 C CD2 . LEU A 1 344 ? -17.818 -62.414 -7.033 1.00 46.88 ? 650 LEU A CD2 1 ATOM 5192 H H . LEU A 1 344 ? -17.240 -57.598 -5.607 1.00 42.36 ? 650 LEU A H 1 ATOM 5193 H HA . LEU A 1 344 ? -18.727 -59.411 -4.235 1.00 36.56 ? 650 LEU A HA 1 ATOM 5194 H HB2 . LEU A 1 344 ? -18.615 -59.951 -6.561 1.00 55.91 ? 650 LEU A HB2 1 ATOM 5195 H HB3 . LEU A 1 344 ? -17.050 -60.067 -6.407 1.00 55.91 ? 650 LEU A HB3 1 ATOM 5196 H HG . LEU A 1 344 ? -17.362 -61.989 -5.078 1.00 64.42 ? 650 LEU A HG 1 ATOM 5197 H HD11 . LEU A 1 344 ? -19.487 -62.942 -5.004 1.00 78.36 ? 650 LEU A HD11 1 ATOM 5198 H HD12 . LEU A 1 344 ? -19.517 -61.509 -4.320 1.00 78.36 ? 650 LEU A HD12 1 ATOM 5199 H HD13 . LEU A 1 344 ? -20.076 -61.697 -5.795 1.00 78.36 ? 650 LEU A HD13 1 ATOM 5200 H HD21 . LEU A 1 344 ? -17.902 -63.369 -6.887 1.00 56.25 ? 650 LEU A HD21 1 ATOM 5201 H HD22 . LEU A 1 344 ? -18.487 -62.115 -7.668 1.00 56.25 ? 650 LEU A HD22 1 ATOM 5202 H HD23 . LEU A 1 344 ? -16.930 -62.206 -7.365 1.00 56.25 ? 650 LEU A HD23 1 ATOM 5203 N N . TYR A 1 345 ? -16.885 -59.810 -2.670 1.00 41.10 ? 651 TYR A N 1 ATOM 5204 C CA . TYR A 1 345 ? -15.798 -59.905 -1.705 1.00 43.53 ? 651 TYR A CA 1 ATOM 5205 C C . TYR A 1 345 ? -15.501 -61.354 -1.342 1.00 42.05 ? 651 TYR A C 1 ATOM 5206 O O . TYR A 1 345 ? -16.389 -62.213 -1.355 1.00 43.54 ? 651 TYR A O 1 ATOM 5207 C CB . TYR A 1 345 ? -16.133 -59.137 -0.426 1.00 38.73 ? 651 TYR A CB 1 ATOM 5208 C CG . TYR A 1 345 ? -16.357 -57.667 -0.610 1.00 44.32 ? 651 TYR A CG 1 ATOM 5209 C CD1 . TYR A 1 345 ? -17.615 -57.172 -0.931 1.00 44.24 ? 651 TYR A CD1 1 ATOM 5210 C CD2 . TYR A 1 345 ? -15.314 -56.767 -0.451 1.00 44.53 ? 651 TYR A CD2 1 ATOM 5211 C CE1 . TYR A 1 345 ? -17.823 -55.813 -1.093 1.00 46.05 ? 651 TYR A CE1 1 ATOM 5212 C CE2 . TYR A 1 345 ? -15.512 -55.417 -0.606 1.00 47.20 ? 651 TYR A CE2 1 ATOM 5213 C CZ . TYR A 1 345 ? -16.767 -54.942 -0.931 1.00 53.34 ? 651 TYR A CZ 1 ATOM 5214 O OH . TYR A 1 345 ? -16.972 -53.590 -1.090 1.00 56.27 ? 651 TYR A OH 1 ATOM 5215 H H . TYR A 1 345 ? -17.643 -60.076 -2.362 1.00 49.32 ? 651 TYR A H 1 ATOM 5216 H HA . TYR A 1 345 ? -14.996 -59.518 -2.090 1.00 52.23 ? 651 TYR A HA 1 ATOM 5217 H HB2 . TYR A 1 345 ? -16.942 -59.511 -0.045 1.00 46.47 ? 651 TYR A HB2 1 ATOM 5218 H HB3 . TYR A 1 345 ? -15.399 -59.244 0.199 1.00 46.47 ? 651 TYR A HB3 1 ATOM 5219 H HD1 . TYR A 1 345 ? -18.326 -57.762 -1.040 1.00 53.09 ? 651 TYR A HD1 1 ATOM 5220 H HD2 . TYR A 1 345 ? -14.468 -57.083 -0.232 1.00 53.44 ? 651 TYR A HD2 1 ATOM 5221 H HE1 . TYR A 1 345 ? -18.668 -55.490 -1.310 1.00 55.26 ? 651 TYR A HE1 1 ATOM 5222 H HE2 . TYR A 1 345 ? -14.802 -54.826 -0.499 1.00 56.64 ? 651 TYR A HE2 1 ATOM 5223 H HH . TYR A 1 345 ? -16.254 -53.174 -0.965 1.00 67.52 ? 651 TYR A HH 1 ATOM 5224 N N . ASP A 1 346 ? -14.241 -61.617 -1.000 1.00 43.32 ? 652 ASP A N 1 ATOM 5225 C CA . ASP A 1 346 ? -13.838 -62.951 -0.579 1.00 55.05 ? 652 ASP A CA 1 ATOM 5226 C C . ASP A 1 346 ? -14.079 -63.121 0.922 1.00 64.39 ? 652 ASP A C 1 ATOM 5227 O O . ASP A 1 346 ? -14.659 -62.260 1.592 1.00 59.58 ? 652 ASP A O 1 ATOM 5228 C CB . ASP A 1 346 ? -12.376 -63.220 -0.948 1.00 62.09 ? 652 ASP A CB 1 ATOM 5229 C CG . ASP A 1 346 ? -11.389 -62.381 -0.142 1.00 69.26 ? 652 ASP A CG 1 ATOM 5230 O OD1 . ASP A 1 346 ? -11.808 -61.637 0.769 1.00 69.06 ? 652 ASP A OD1 1 ATOM 5231 O OD2 . ASP A 1 346 ? -10.176 -62.470 -0.431 1.00 68.17 ? 652 ASP A OD2 1 ATOM 5232 H H . ASP A 1 346 ? -13.603 -61.040 -1.004 1.00 51.98 ? 652 ASP A H 1 ATOM 5233 H HA . ASP A 1 346 ? -14.386 -63.604 -1.043 1.00 66.06 ? 652 ASP A HA 1 ATOM 5234 H HB2 . ASP A 1 346 ? -12.177 -64.155 -0.783 1.00 74.50 ? 652 ASP A HB2 1 ATOM 5235 H HB3 . ASP A 1 346 ? -12.246 -63.014 -1.887 1.00 74.50 ? 652 ASP A HB3 1 ATOM 5236 N N . SER A 1 347 ? -13.621 -64.253 1.462 1.00 71.16 ? 653 SER A N 1 ATOM 5237 C CA . SER A 1 347 ? -13.738 -64.507 2.893 1.00 83.17 ? 653 SER A CA 1 ATOM 5238 C C . SER A 1 347 ? -12.905 -63.520 3.702 1.00 80.84 ? 653 SER A C 1 ATOM 5239 O O . SER A 1 347 ? -13.284 -63.161 4.821 1.00 76.41 ? 653 SER A O 1 ATOM 5240 C CB . SER A 1 347 ? -13.316 -65.948 3.198 1.00 79.84 ? 653 SER A CB 1 ATOM 5241 O OG . SER A 1 347 ? -11.946 -66.165 2.891 1.00 82.62 ? 653 SER A OG 1 ATOM 5242 H H . SER A 1 347 ? -13.240 -64.885 1.021 1.00 85.39 ? 653 SER A H 1 ATOM 5243 H HA . SER A 1 347 ? -14.665 -64.403 3.157 1.00 99.80 ? 653 SER A HA 1 ATOM 5244 H HB2 . SER A 1 347 ? -13.458 -66.124 4.141 1.00 95.81 ? 653 SER A HB2 1 ATOM 5245 H HB3 . SER A 1 347 ? -13.856 -66.553 2.665 1.00 95.81 ? 653 SER A HB3 1 ATOM 5246 H HG . SER A 1 347 ? -11.735 -66.960 3.065 1.00 99.14 ? 653 SER A HG 1 ATOM 5247 N N . ASN A 1 348 ? -11.789 -63.052 3.151 1.00 86.16 ? 654 ASN A N 1 ATOM 5248 C CA . ASN A 1 348 ? -10.902 -62.145 3.865 1.00 77.51 ? 654 ASN A CA 1 ATOM 5249 C C . ASN A 1 348 ? -11.292 -60.682 3.695 1.00 76.79 ? 654 ASN A C 1 ATOM 5250 O O . ASN A 1 348 ? -10.579 -59.808 4.196 1.00 78.14 ? 654 ASN A O 1 ATOM 5251 C CB . ASN A 1 348 ? -9.453 -62.347 3.399 1.00 84.66 ? 654 ASN A CB 1 ATOM 5252 H H . ASN A 1 348 ? -11.522 -63.248 2.358 1.00 103.39 ? 654 ASN A H 1 ATOM 5253 H HA . ASN A 1 348 ? -10.940 -62.353 4.811 1.00 93.01 ? 654 ASN A HA 1 ATOM 5254 N N . GLY A 1 349 ? -12.390 -60.395 2.992 1.00 79.47 ? 655 GLY A N 1 ATOM 5255 C CA . GLY A 1 349 ? -12.855 -59.038 2.796 1.00 87.18 ? 655 GLY A CA 1 ATOM 5256 C C . GLY A 1 349 ? -12.285 -58.304 1.598 1.00 77.12 ? 655 GLY A C 1 ATOM 5257 O O . GLY A 1 349 ? -12.558 -57.110 1.443 1.00 60.42 ? 655 GLY A O 1 ATOM 5258 N N . ASN A 1 350 ? -11.505 -58.968 0.750 1.00 81.51 ? 656 ASN A N 1 ATOM 5259 C CA . ASN A 1 350 ? -10.912 -58.325 -0.415 1.00 76.58 ? 656 ASN A CA 1 ATOM 5260 C C . ASN A 1 350 ? -11.801 -58.496 -1.643 1.00 61.26 ? 656 ASN A C 1 ATOM 5261 O O . ASN A 1 350 ? -12.457 -59.527 -1.826 1.00 41.49 ? 656 ASN A O 1 ATOM 5262 C CB . ASN A 1 350 ? -9.527 -58.901 -0.708 1.00 76.56 ? 656 ASN A CB 1 ATOM 5263 C CG . ASN A 1 350 ? -8.634 -58.915 0.512 1.00 95.34 ? 656 ASN A CG 1 ATOM 5264 O OD1 . ASN A 1 350 ? -8.744 -58.055 1.387 1.00 99.89 ? 656 ASN A OD1 1 ATOM 5265 N ND2 . ASN A 1 350 ? -7.743 -59.897 0.580 1.00 88.79 ? 656 ASN A ND2 1 ATOM 5266 H H . ASN A 1 350 ? -11.303 -59.800 0.829 1.00 97.81 ? 656 ASN A H 1 ATOM 5267 H HA . ASN A 1 350 ? -10.816 -57.375 -0.241 1.00 91.89 ? 656 ASN A HA 1 ATOM 5268 H HB2 . ASN A 1 350 ? -9.623 -59.814 -1.020 1.00 91.88 ? 656 ASN A HB2 1 ATOM 5269 H HB3 . ASN A 1 350 ? -9.097 -58.360 -1.389 1.00 91.88 ? 656 ASN A HB3 1 ATOM 5270 H HD21 . ASN A 1 350 ? -7.211 -59.950 1.254 1.00 106.55 ? 656 ASN A HD21 1 ATOM 5271 H HD22 . ASN A 1 350 ? -7.697 -60.481 -0.051 1.00 106.55 ? 656 ASN A HD22 1 ATOM 5272 N N . ILE A 1 351 ? -11.799 -57.471 -2.496 1.00 56.76 ? 657 ILE A N 1 ATOM 5273 C CA . ILE A 1 351 ? -12.639 -57.481 -3.686 1.00 42.97 ? 657 ILE A CA 1 ATOM 5274 C C . ILE A 1 351 ? -12.119 -58.520 -4.664 1.00 40.29 ? 657 ILE A C 1 ATOM 5275 O O . ILE A 1 351 ? -10.951 -58.481 -5.071 1.00 44.67 ? 657 ILE A O 1 ATOM 5276 C CB . ILE A 1 351 ? -12.682 -56.083 -4.322 1.00 50.75 ? 657 ILE A CB 1 ATOM 5277 C CG1 . ILE A 1 351 ? -13.638 -55.179 -3.527 1.00 44.42 ? 657 ILE A CG1 1 ATOM 5278 C CG2 . ILE A 1 351 ? -13.110 -56.158 -5.776 1.00 43.84 ? 657 ILE A CG2 1 ATOM 5279 C CD1 . ILE A 1 351 ? -13.767 -53.764 -4.088 1.00 61.71 ? 657 ILE A CD1 1 ATOM 5280 H H . ILE A 1 351 ? -11.321 -56.762 -2.406 1.00 68.11 ? 657 ILE A H 1 ATOM 5281 H HA . ILE A 1 351 ? -13.543 -57.727 -3.436 1.00 51.57 ? 657 ILE A HA 1 ATOM 5282 H HB . ILE A 1 351 ? -11.792 -55.699 -4.283 1.00 60.90 ? 657 ILE A HB 1 ATOM 5283 H HG12 . ILE A 1 351 ? -14.521 -55.580 -3.531 1.00 53.30 ? 657 ILE A HG12 1 ATOM 5284 H HG13 . ILE A 1 351 ? -13.313 -55.108 -2.616 1.00 53.30 ? 657 ILE A HG13 1 ATOM 5285 H HG21 . ILE A 1 351 ? -13.127 -55.261 -6.146 1.00 52.61 ? 657 ILE A HG21 1 ATOM 5286 H HG22 . ILE A 1 351 ? -12.475 -56.706 -6.263 1.00 52.61 ? 657 ILE A HG22 1 ATOM 5287 H HG23 . ILE A 1 351 ? -13.994 -56.553 -5.824 1.00 52.61 ? 657 ILE A HG23 1 ATOM 5288 H HD11 . ILE A 1 351 ? -14.384 -53.261 -3.534 1.00 74.05 ? 657 ILE A HD11 1 ATOM 5289 H HD12 . ILE A 1 351 ? -12.894 -53.342 -4.081 1.00 74.05 ? 657 ILE A HD12 1 ATOM 5290 H HD13 . ILE A 1 351 ? -14.103 -53.815 -4.996 1.00 74.05 ? 657 ILE A HD13 1 ATOM 5291 N N . ILE A 1 352 ? -12.993 -59.445 -5.061 1.00 37.90 ? 658 ILE A N 1 ATOM 5292 C CA . ILE A 1 352 ? -12.666 -60.469 -6.048 1.00 38.42 ? 658 ILE A CA 1 ATOM 5293 C C . ILE A 1 352 ? -13.535 -60.383 -7.296 1.00 41.64 ? 658 ILE A C 1 ATOM 5294 O O . ILE A 1 352 ? -13.370 -61.204 -8.208 1.00 34.88 ? 658 ILE A O 1 ATOM 5295 C CB . ILE A 1 352 ? -12.763 -61.882 -5.440 1.00 44.03 ? 658 ILE A CB 1 ATOM 5296 C CG1 . ILE A 1 352 ? -14.186 -62.146 -4.923 1.00 36.25 ? 658 ILE A CG1 1 ATOM 5297 C CG2 . ILE A 1 352 ? -11.737 -62.043 -4.344 1.00 47.67 ? 658 ILE A CG2 1 ATOM 5298 C CD1 . ILE A 1 352 ? -14.420 -63.579 -4.492 1.00 42.62 ? 658 ILE A CD1 1 ATOM 5299 H H . ILE A 1 352 ? -13.799 -59.500 -4.766 1.00 45.48 ? 658 ILE A H 1 ATOM 5300 H HA . ILE A 1 352 ? -11.747 -60.337 -6.328 1.00 46.10 ? 658 ILE A HA 1 ATOM 5301 H HB . ILE A 1 352 ? -12.568 -62.528 -6.137 1.00 52.84 ? 658 ILE A HB 1 ATOM 5302 H HG12 . ILE A 1 352 ? -14.352 -61.574 -4.158 1.00 43.50 ? 658 ILE A HG12 1 ATOM 5303 H HG13 . ILE A 1 352 ? -14.818 -61.942 -5.630 1.00 43.50 ? 658 ILE A HG13 1 ATOM 5304 H HG21 . ILE A 1 352 ? -11.810 -62.936 -3.972 1.00 57.21 ? 658 ILE A HG21 1 ATOM 5305 H HG22 . ILE A 1 352 ? -10.852 -61.912 -4.719 1.00 57.21 ? 658 ILE A HG22 1 ATOM 5306 H HG23 . ILE A 1 352 ? -11.905 -61.382 -3.654 1.00 57.21 ? 658 ILE A HG23 1 ATOM 5307 H HD11 . ILE A 1 352 ? -15.334 -63.668 -4.180 1.00 51.14 ? 658 ILE A HD11 1 ATOM 5308 H HD12 . ILE A 1 352 ? -14.270 -64.165 -5.250 1.00 51.14 ? 658 ILE A HD12 1 ATOM 5309 H HD13 . ILE A 1 352 ? -13.803 -63.797 -3.776 1.00 51.14 ? 658 ILE A HD13 1 ATOM 5310 N N . GLY A 1 353 ? -14.447 -59.419 -7.376 1.00 36.00 ? 659 GLY A N 1 ATOM 5311 C CA . GLY A 1 353 ? -15.366 -59.363 -8.494 1.00 34.04 ? 659 GLY A CA 1 ATOM 5312 C C . GLY A 1 353 ? -16.070 -58.029 -8.564 1.00 40.96 ? 659 GLY A C 1 ATOM 5313 O O . GLY A 1 353 ? -16.188 -57.307 -7.564 1.00 27.14 ? 659 GLY A O 1 ATOM 5314 H H . GLY A 1 353 ? -14.550 -58.791 -6.798 1.00 43.20 ? 659 GLY A H 1 ATOM 5315 H HA2 . GLY A 1 353 ? -14.881 -59.502 -9.323 1.00 40.85 ? 659 GLY A HA2 1 ATOM 5316 H HA3 . GLY A 1 353 ? -16.033 -60.062 -8.404 1.00 40.85 ? 659 GLY A HA3 1 ATOM 5317 N N . PHE A 1 354 ? -16.555 -57.724 -9.765 1.00 25.06 ? 660 PHE A N 1 ATOM 5318 C CA . PHE A 1 354 ? -17.105 -56.421 -10.074 1.00 31.51 ? 660 PHE A CA 1 ATOM 5319 C C . PHE A 1 354 ? -18.155 -56.533 -11.176 1.00 37.17 ? 660 PHE A C 1 ATOM 5320 O O . PHE A 1 354 ? -17.918 -57.190 -12.197 1.00 30.65 ? 660 PHE A O 1 ATOM 5321 C CB . PHE A 1 354 ? -15.932 -55.504 -10.466 1.00 34.08 ? 660 PHE A CB 1 ATOM 5322 C CG . PHE A 1 354 ? -16.281 -54.410 -11.384 1.00 26.37 ? 660 PHE A CG 1 ATOM 5323 C CD1 . PHE A 1 354 ? -17.110 -53.394 -10.977 1.00 36.14 ? 660 PHE A CD1 1 ATOM 5324 C CD2 . PHE A 1 354 ? -15.718 -54.354 -12.646 1.00 31.07 ? 660 PHE A CD2 1 ATOM 5325 C CE1 . PHE A 1 354 ? -17.424 -52.365 -11.825 1.00 31.39 ? 660 PHE A CE1 1 ATOM 5326 C CE2 . PHE A 1 354 ? -16.006 -53.338 -13.494 1.00 35.11 ? 660 PHE A CE2 1 ATOM 5327 C CZ . PHE A 1 354 ? -16.867 -52.324 -13.094 1.00 36.37 ? 660 PHE A CZ 1 ATOM 5328 H H . PHE A 1 354 ? -16.573 -58.271 -10.428 1.00 30.07 ? 660 PHE A H 1 ATOM 5329 H HA . PHE A 1 354 ? -17.529 -56.054 -9.283 1.00 37.81 ? 660 PHE A HA 1 ATOM 5330 H HB2 . PHE A 1 354 ? -15.569 -55.105 -9.660 1.00 40.89 ? 660 PHE A HB2 1 ATOM 5331 H HB3 . PHE A 1 354 ? -15.250 -56.042 -10.898 1.00 40.89 ? 660 PHE A HB3 1 ATOM 5332 H HD1 . PHE A 1 354 ? -17.488 -53.422 -10.128 1.00 43.36 ? 660 PHE A HD1 1 ATOM 5333 H HD2 . PHE A 1 354 ? -15.143 -55.031 -12.922 1.00 37.28 ? 660 PHE A HD2 1 ATOM 5334 H HE1 . PHE A 1 354 ? -17.997 -51.688 -11.545 1.00 37.67 ? 660 PHE A HE1 1 ATOM 5335 H HE2 . PHE A 1 354 ? -15.632 -53.322 -14.345 1.00 42.13 ? 660 PHE A HE2 1 ATOM 5336 H HZ . PHE A 1 354 ? -17.071 -51.626 -13.673 1.00 43.65 ? 660 PHE A HZ 1 ATOM 5337 N N . LYS A 1 355 ? -19.310 -55.892 -10.970 1.00 31.00 ? 661 LYS A N 1 ATOM 5338 C CA . LYS A 1 355 ? -20.314 -55.707 -12.018 1.00 28.49 ? 661 LYS A CA 1 ATOM 5339 C C . LYS A 1 355 ? -20.381 -54.247 -12.458 1.00 33.59 ? 661 LYS A C 1 ATOM 5340 O O . LYS A 1 355 ? -20.595 -53.339 -11.640 1.00 30.51 ? 661 LYS A O 1 ATOM 5341 C CB . LYS A 1 355 ? -21.692 -56.175 -11.553 1.00 33.05 ? 661 LYS A CB 1 ATOM 5342 C CG . LYS A 1 355 ? -22.729 -56.185 -12.678 1.00 42.22 ? 661 LYS A CG 1 ATOM 5343 C CD . LYS A 1 355 ? -23.882 -57.145 -12.371 1.00 54.71 ? 661 LYS A CD 1 ATOM 5344 C CE . LYS A 1 355 ? -25.022 -56.446 -11.672 1.00 81.66 ? 661 LYS A CE 1 ATOM 5345 N NZ . LYS A 1 355 ? -25.872 -57.399 -10.896 1.00 91.44 ? 661 LYS A NZ 1 ATOM 5346 H H . LYS A 1 355 ? -19.537 -55.548 -10.215 1.00 37.20 ? 661 LYS A H 1 ATOM 5347 H HA . LYS A 1 355 ? -20.064 -56.240 -12.789 1.00 34.18 ? 661 LYS A HA 1 ATOM 5348 H HB2 . LYS A 1 355 ? -21.618 -57.078 -11.206 1.00 39.65 ? 661 LYS A HB2 1 ATOM 5349 H HB3 . LYS A 1 355 ? -22.010 -55.578 -10.858 1.00 39.65 ? 661 LYS A HB3 1 ATOM 5350 H HG2 . LYS A 1 355 ? -23.096 -55.293 -12.783 1.00 50.67 ? 661 LYS A HG2 1 ATOM 5351 H HG3 . LYS A 1 355 ? -22.305 -56.473 -13.501 1.00 50.67 ? 661 LYS A HG3 1 ATOM 5352 H HD2 . LYS A 1 355 ? -24.217 -57.516 -13.202 1.00 65.65 ? 661 LYS A HD2 1 ATOM 5353 H HD3 . LYS A 1 355 ? -23.561 -57.854 -11.793 1.00 65.65 ? 661 LYS A HD3 1 ATOM 5354 H HE2 . LYS A 1 355 ? -24.662 -55.790 -11.055 1.00 97.99 ? 661 LYS A HE2 1 ATOM 5355 H HE3 . LYS A 1 355 ? -25.582 -56.011 -12.334 1.00 97.99 ? 661 LYS A HE3 1 ATOM 5356 H HZ1 . LYS A 1 355 ? -26.534 -56.959 -10.496 1.00 109.73 ? 661 LYS A HZ1 1 ATOM 5357 H HZ2 . LYS A 1 355 ? -26.219 -58.011 -11.442 1.00 109.73 ? 661 LYS A HZ2 1 ATOM 5358 H HZ3 . LYS A 1 355 ? -25.382 -57.809 -10.277 1.00 109.73 ? 661 LYS A HZ3 1 ATOM 5359 N N . ASP A 1 356 ? -20.238 -54.025 -13.760 1.00 34.79 ? 662 ASP A N 1 ATOM 5360 C CA . ASP A 1 356 ? -20.188 -52.678 -14.319 1.00 33.20 ? 662 ASP A CA 1 ATOM 5361 C C . ASP A 1 356 ? -21.604 -52.201 -14.625 1.00 38.24 ? 662 ASP A C 1 ATOM 5362 O O . ASP A 1 356 ? -22.267 -52.738 -15.505 1.00 35.53 ? 662 ASP A O 1 ATOM 5363 C CB . ASP A 1 356 ? -19.325 -52.658 -15.569 1.00 29.33 ? 662 ASP A CB 1 ATOM 5364 C CG . ASP A 1 356 ? -19.096 -51.259 -16.090 1.00 35.69 ? 662 ASP A CG 1 ATOM 5365 O OD1 . ASP A 1 356 ? -19.711 -50.310 -15.542 1.00 34.97 ? 662 ASP A OD1 1 ATOM 5366 O OD2 . ASP A 1 356 ? -18.306 -51.110 -17.042 1.00 37.93 ? 662 ASP A OD2 1 ATOM 5367 H H . ASP A 1 356 ? -20.166 -54.647 -14.349 1.00 41.75 ? 662 ASP A H 1 ATOM 5368 H HA . ASP A 1 356 ? -19.797 -52.074 -13.668 1.00 39.84 ? 662 ASP A HA 1 ATOM 5369 H HB2 . ASP A 1 356 ? -18.460 -53.048 -15.363 1.00 35.19 ? 662 ASP A HB2 1 ATOM 5370 H HB3 . ASP A 1 356 ? -19.764 -53.171 -16.265 1.00 35.19 ? 662 ASP A HB3 1 ATOM 5371 N N . PHE A 1 357 ? -22.063 -51.168 -13.918 1.00 38.75 ? 663 PHE A N 1 ATOM 5372 C CA . PHE A 1 357 ? -23.428 -50.709 -14.135 1.00 33.27 ? 663 PHE A CA 1 ATOM 5373 C C . PHE A 1 357 ? -23.609 -50.119 -15.521 1.00 31.83 ? 663 PHE A C 1 ATOM 5374 O O . PHE A 1 357 ? -24.741 -50.039 -15.999 1.00 44.45 ? 663 PHE A O 1 ATOM 5375 C CB . PHE A 1 357 ? -23.830 -49.678 -13.059 1.00 43.74 ? 663 PHE A CB 1 ATOM 5376 C CG . PHE A 1 357 ? -23.205 -48.312 -13.246 1.00 38.53 ? 663 PHE A CG 1 ATOM 5377 C CD1 . PHE A 1 357 ? -23.832 -47.352 -14.017 1.00 41.23 ? 663 PHE A CD1 1 ATOM 5378 C CD2 . PHE A 1 357 ? -21.999 -47.991 -12.639 1.00 45.01 ? 663 PHE A CD2 1 ATOM 5379 C CE1 . PHE A 1 357 ? -23.268 -46.084 -14.197 1.00 48.85 ? 663 PHE A CE1 1 ATOM 5380 C CE2 . PHE A 1 357 ? -21.429 -46.721 -12.810 1.00 39.60 ? 663 PHE A CE2 1 ATOM 5381 C CZ . PHE A 1 357 ? -22.071 -45.771 -13.602 1.00 43.81 ? 663 PHE A CZ 1 ATOM 5382 H H . PHE A 1 357 ? -21.618 -50.730 -13.327 1.00 46.50 ? 663 PHE A H 1 ATOM 5383 H HA . PHE A 1 357 ? -24.028 -51.467 -14.056 1.00 39.92 ? 663 PHE A HA 1 ATOM 5384 H HB2 . PHE A 1 357 ? -24.794 -49.567 -13.078 1.00 52.49 ? 663 PHE A HB2 1 ATOM 5385 H HB3 . PHE A 1 357 ? -23.556 -50.012 -12.190 1.00 52.49 ? 663 PHE A HB3 1 ATOM 5386 H HD1 . PHE A 1 357 ? -24.641 -47.554 -14.430 1.00 49.48 ? 663 PHE A HD1 1 ATOM 5387 H HD2 . PHE A 1 357 ? -21.565 -48.623 -12.114 1.00 54.01 ? 663 PHE A HD2 1 ATOM 5388 H HE1 . PHE A 1 357 ? -23.704 -45.453 -14.723 1.00 58.62 ? 663 PHE A HE1 1 ATOM 5389 H HE2 . PHE A 1 357 ? -20.618 -46.516 -12.404 1.00 47.53 ? 663 PHE A HE2 1 ATOM 5390 H HZ . PHE A 1 357 ? -21.697 -44.928 -13.717 1.00 52.57 ? 663 PHE A HZ 1 ATOM 5391 N N . VAL A 1 358 ? -22.527 -49.716 -16.184 1.00 34.25 ? 664 VAL A N 1 ATOM 5392 C CA . VAL A 1 358 ? -22.658 -49.076 -17.489 1.00 39.25 ? 664 VAL A CA 1 ATOM 5393 C C . VAL A 1 358 ? -22.976 -50.104 -18.575 1.00 41.19 ? 664 VAL A C 1 ATOM 5394 O O . VAL A 1 358 ? -23.728 -49.822 -19.516 1.00 41.13 ? 664 VAL A O 1 ATOM 5395 C CB . VAL A 1 358 ? -21.370 -48.292 -17.820 1.00 39.14 ? 664 VAL A CB 1 ATOM 5396 C CG1 . VAL A 1 358 ? -21.436 -47.712 -19.230 1.00 38.11 ? 664 VAL A CG1 1 ATOM 5397 C CG2 . VAL A 1 358 ? -21.138 -47.183 -16.793 1.00 47.26 ? 664 VAL A CG2 1 ATOM 5398 H H . VAL A 1 358 ? -21.718 -49.801 -15.905 1.00 41.10 ? 664 VAL A H 1 ATOM 5399 H HA . VAL A 1 358 ? -23.391 -48.442 -17.455 1.00 47.10 ? 664 VAL A HA 1 ATOM 5400 H HB . VAL A 1 358 ? -20.614 -48.898 -17.781 1.00 46.97 ? 664 VAL A HB 1 ATOM 5401 H HG11 . VAL A 1 358 ? -20.616 -47.226 -19.410 1.00 45.73 ? 664 VAL A HG11 1 ATOM 5402 H HG12 . VAL A 1 358 ? -21.537 -48.439 -19.865 1.00 45.73 ? 664 VAL A HG12 1 ATOM 5403 H HG13 . VAL A 1 358 ? -22.197 -47.113 -19.290 1.00 45.73 ? 664 VAL A HG13 1 ATOM 5404 H HG21 . VAL A 1 358 ? -20.325 -46.706 -17.023 1.00 56.71 ? 664 VAL A HG21 1 ATOM 5405 H HG22 . VAL A 1 358 ? -21.894 -46.575 -16.809 1.00 56.71 ? 664 VAL A HG22 1 ATOM 5406 H HG23 . VAL A 1 358 ? -21.051 -47.581 -15.913 1.00 56.71 ? 664 VAL A HG23 1 ATOM 5407 N N . THR A 1 359 ? -22.377 -51.288 -18.490 1.00 40.81 ? 665 THR A N 1 ATOM 5408 C CA . THR A 1 359 ? -22.523 -52.329 -19.501 1.00 36.78 ? 665 THR A CA 1 ATOM 5409 C C . THR A 1 359 ? -23.220 -53.576 -18.989 1.00 33.64 ? 665 THR A C 1 ATOM 5410 O O . THR A 1 359 ? -23.584 -54.442 -19.799 1.00 36.45 ? 665 THR A O 1 ATOM 5411 C CB . THR A 1 359 ? -21.145 -52.735 -20.016 1.00 37.97 ? 665 THR A CB 1 ATOM 5412 O OG1 . THR A 1 359 ? -20.396 -53.306 -18.931 1.00 30.24 ? 665 THR A OG1 1 ATOM 5413 C CG2 . THR A 1 359 ? -20.415 -51.536 -20.572 1.00 34.38 ? 665 THR A CG2 1 ATOM 5414 H H . THR A 1 359 ? -21.867 -51.518 -17.836 1.00 48.97 ? 665 THR A H 1 ATOM 5415 H HA . THR A 1 359 ? -23.035 -51.979 -20.247 1.00 44.14 ? 665 THR A HA 1 ATOM 5416 H HB . THR A 1 359 ? -21.243 -53.392 -20.723 1.00 45.56 ? 665 THR A HB 1 ATOM 5417 H HG1 . THR A 1 359 ? -19.633 -53.536 -19.198 1.00 36.28 ? 665 THR A HG1 1 ATOM 5418 H HG21 . THR A 1 359 ? -19.541 -51.802 -20.898 1.00 41.26 ? 665 THR A HG21 1 ATOM 5419 H HG22 . THR A 1 359 ? -20.921 -51.151 -21.305 1.00 41.26 ? 665 THR A HG22 1 ATOM 5420 H HG23 . THR A 1 359 ? -20.303 -50.866 -19.880 1.00 41.26 ? 665 THR A HG23 1 ATOM 5421 N N . ASN A 1 360 ? -23.394 -53.697 -17.684 1.00 31.29 ? 666 ASN A N 1 ATOM 5422 C CA . ASN A 1 360 ? -23.853 -54.897 -16.992 1.00 40.12 ? 666 ASN A CA 1 ATOM 5423 C C . ASN A 1 360 ? -22.904 -56.076 -17.158 1.00 37.17 ? 666 ASN A C 1 ATOM 5424 O O . ASN A 1 360 ? -23.263 -57.200 -16.811 1.00 37.76 ? 666 ASN A O 1 ATOM 5425 C CB . ASN A 1 360 ? -25.268 -55.289 -17.423 1.00 43.73 ? 666 ASN A CB 1 ATOM 5426 C CG . ASN A 1 360 ? -26.327 -54.466 -16.715 1.00 62.82 ? 666 ASN A CG 1 ATOM 5427 O OD1 . ASN A 1 360 ? -26.258 -54.254 -15.491 1.00 55.22 ? 666 ASN A OD1 1 ATOM 5428 N ND2 . ASN A 1 360 ? -27.300 -53.971 -17.476 1.00 59.95 ? 666 ASN A ND2 1 ATOM 5429 H H . ASN A 1 360 ? -23.242 -53.049 -17.138 1.00 37.55 ? 666 ASN A H 1 ATOM 5430 H HA . ASN A 1 360 ? -23.892 -54.698 -16.044 1.00 48.15 ? 666 ASN A HA 1 ATOM 5431 H HB2 . ASN A 1 360 ? -25.362 -55.145 -18.378 1.00 52.47 ? 666 ASN A HB2 1 ATOM 5432 H HB3 . ASN A 1 360 ? -25.419 -56.223 -17.210 1.00 52.47 ? 666 ASN A HB3 1 ATOM 5433 H HD21 . ASN A 1 360 ? -27.924 -53.498 -17.122 1.00 71.94 ? 666 ASN A HD21 1 ATOM 5434 H HD22 . ASN A 1 360 ? -27.304 -54.125 -18.322 1.00 71.94 ? 666 ASN A HD22 1 ATOM 5435 N N . LYS A 1 361 ? -21.686 -55.839 -17.628 1.00 30.01 ? 667 LYS A N 1 ATOM 5436 C CA . LYS A 1 361 ? -20.689 -56.887 -17.677 1.00 33.03 ? 667 LYS A CA 1 ATOM 5437 C C . LYS A 1 361 ? -20.151 -57.192 -16.285 1.00 34.39 ? 667 LYS A C 1 ATOM 5438 O O . LYS A 1 361 ? -20.147 -56.345 -15.375 1.00 30.88 ? 667 LYS A O 1 ATOM 5439 C CB . LYS A 1 361 ? -19.548 -56.500 -18.622 1.00 29.07 ? 667 LYS A CB 1 ATOM 5440 C CG . LYS A 1 361 ? -19.920 -56.514 -20.120 1.00 33.18 ? 667 LYS A CG 1 ATOM 5441 C CD . LYS A 1 361 ? -18.720 -56.058 -20.966 1.00 36.73 ? 667 LYS A CD 1 ATOM 5442 C CE . LYS A 1 361 ? -19.068 -55.781 -22.426 1.00 40.11 ? 667 LYS A CE 1 ATOM 5443 N NZ . LYS A 1 361 ? -19.411 -57.014 -23.155 1.00 41.54 ? 667 LYS A NZ 1 ATOM 5444 H H . LYS A 1 361 ? -21.415 -55.078 -17.923 1.00 36.01 ? 667 LYS A H 1 ATOM 5445 H HA . LYS A 1 361 ? -21.100 -57.696 -18.022 1.00 39.63 ? 667 LYS A HA 1 ATOM 5446 H HB2 . LYS A 1 361 ? -19.254 -55.603 -18.400 1.00 34.88 ? 667 LYS A HB2 1 ATOM 5447 H HB3 . LYS A 1 361 ? -18.816 -57.124 -18.495 1.00 34.88 ? 667 LYS A HB3 1 ATOM 5448 H HG2 . LYS A 1 361 ? -20.161 -57.416 -20.386 1.00 39.81 ? 667 LYS A HG2 1 ATOM 5449 H HG3 . LYS A 1 361 ? -20.658 -55.905 -20.277 1.00 39.81 ? 667 LYS A HG3 1 ATOM 5450 H HD2 . LYS A 1 361 ? -18.362 -55.241 -20.586 1.00 44.08 ? 667 LYS A HD2 1 ATOM 5451 H HD3 . LYS A 1 361 ? -18.044 -56.753 -20.949 1.00 44.08 ? 667 LYS A HD3 1 ATOM 5452 H HE2 . LYS A 1 361 ? -19.832 -55.185 -22.464 1.00 48.14 ? 667 LYS A HE2 1 ATOM 5453 H HE3 . LYS A 1 361 ? -18.304 -55.374 -22.864 1.00 48.14 ? 667 LYS A HE3 1 ATOM 5454 H HZ1 . LYS A 1 361 ? -19.609 -56.822 -24.001 1.00 49.84 ? 667 LYS A HZ1 1 ATOM 5455 H HZ2 . LYS A 1 361 ? -18.723 -57.578 -23.139 1.00 49.84 ? 667 LYS A HZ2 1 ATOM 5456 H HZ3 . LYS A 1 361 ? -20.115 -57.406 -22.775 1.00 49.84 ? 667 LYS A HZ3 1 ATOM 5457 N N . THR A 1 362 ? -19.714 -58.438 -16.123 1.00 23.94 ? 668 THR A N 1 ATOM 5458 C CA . THR A 1 362 ? -19.217 -58.960 -14.860 1.00 19.42 ? 668 THR A CA 1 ATOM 5459 C C . THR A 1 362 ? -17.777 -59.400 -15.043 1.00 27.57 ? 668 THR A C 1 ATOM 5460 O O . THR A 1 362 ? -17.384 -59.882 -16.113 1.00 28.88 ? 668 THR A O 1 ATOM 5461 C CB . THR A 1 362 ? -20.072 -60.128 -14.356 1.00 24.46 ? 668 THR A CB 1 ATOM 5462 O OG1 . THR A 1 362 ? -20.397 -60.994 -15.456 1.00 30.21 ? 668 THR A OG1 1 ATOM 5463 C CG2 . THR A 1 362 ? -21.350 -59.612 -13.731 1.00 29.24 ? 668 THR A CG2 1 ATOM 5464 H H . THR A 1 362 ? -19.697 -59.019 -16.757 1.00 28.73 ? 668 THR A H 1 ATOM 5465 H HA . THR A 1 362 ? -19.239 -58.257 -14.192 1.00 23.30 ? 668 THR A HA 1 ATOM 5466 H HB . THR A 1 362 ? -19.579 -60.625 -13.685 1.00 29.35 ? 668 THR A HB 1 ATOM 5467 H HG1 . THR A 1 362 ? -19.693 -61.296 -15.802 1.00 36.26 ? 668 THR A HG1 1 ATOM 5468 H HG21 . THR A 1 362 ? -21.887 -60.355 -13.413 1.00 35.09 ? 668 THR A HG21 1 ATOM 5469 H HG22 . THR A 1 362 ? -21.142 -59.031 -12.982 1.00 35.09 ? 668 THR A HG22 1 ATOM 5470 H HG23 . THR A 1 362 ? -21.861 -59.111 -14.386 1.00 35.09 ? 668 THR A HG23 1 ATOM 5471 N N . TYR A 1 363 ? -17.002 -59.238 -13.980 1.00 24.48 ? 669 TYR A N 1 ATOM 5472 C CA . TYR A 1 363 ? -15.569 -59.461 -14.016 1.00 28.09 ? 669 TYR A CA 1 ATOM 5473 C C . TYR A 1 363 ? -15.144 -60.100 -12.715 1.00 31.36 ? 669 TYR A C 1 ATOM 5474 O O . TYR A 1 363 ? -15.643 -59.744 -11.639 1.00 28.97 ? 669 TYR A O 1 ATOM 5475 C CB . TYR A 1 363 ? -14.773 -58.148 -14.202 1.00 26.08 ? 669 TYR A CB 1 ATOM 5476 C CG . TYR A 1 363 ? -15.162 -57.347 -15.406 1.00 24.84 ? 669 TYR A CG 1 ATOM 5477 C CD1 . TYR A 1 363 ? -16.249 -56.481 -15.367 1.00 33.22 ? 669 TYR A CD1 1 ATOM 5478 C CD2 . TYR A 1 363 ? -14.450 -57.458 -16.597 1.00 29.62 ? 669 TYR A CD2 1 ATOM 5479 C CE1 . TYR A 1 363 ? -16.615 -55.755 -16.479 1.00 29.67 ? 669 TYR A CE1 1 ATOM 5480 C CE2 . TYR A 1 363 ? -14.811 -56.728 -17.720 1.00 28.76 ? 669 TYR A CE2 1 ATOM 5481 C CZ . TYR A 1 363 ? -15.885 -55.883 -17.658 1.00 27.21 ? 669 TYR A CZ 1 ATOM 5482 O OH . TYR A 1 363 ? -16.236 -55.156 -18.777 1.00 31.72 ? 669 TYR A OH 1 ATOM 5483 H H . TYR A 1 363 ? -17.292 -58.993 -13.209 1.00 29.37 ? 669 TYR A H 1 ATOM 5484 H HA . TYR A 1 363 ? -15.350 -60.063 -14.744 1.00 33.71 ? 669 TYR A HA 1 ATOM 5485 H HB2 . TYR A 1 363 ? -14.910 -57.590 -13.420 1.00 31.30 ? 669 TYR A HB2 1 ATOM 5486 H HB3 . TYR A 1 363 ? -13.832 -58.366 -14.286 1.00 31.30 ? 669 TYR A HB3 1 ATOM 5487 H HD1 . TYR A 1 363 ? -16.740 -56.396 -14.582 1.00 39.86 ? 669 TYR A HD1 1 ATOM 5488 H HD2 . TYR A 1 363 ? -13.721 -58.034 -16.642 1.00 35.54 ? 669 TYR A HD2 1 ATOM 5489 H HE1 . TYR A 1 363 ? -17.343 -55.178 -16.441 1.00 35.60 ? 669 TYR A HE1 1 ATOM 5490 H HE2 . TYR A 1 363 ? -14.325 -56.811 -18.508 1.00 34.51 ? 669 TYR A HE2 1 ATOM 5491 H HH . TYR A 1 363 ? -15.712 -55.332 -19.410 1.00 38.07 ? 669 TYR A HH 1 ATOM 5492 N N . ASN A 1 364 ? -14.221 -61.036 -12.829 1.00 27.73 ? 670 ASN A N 1 ATOM 5493 C CA . ASN A 1 364 ? -13.398 -61.439 -11.707 1.00 31.54 ? 670 ASN A CA 1 ATOM 5494 C C . ASN A 1 364 ? -12.251 -60.457 -11.606 1.00 31.07 ? 670 ASN A C 1 ATOM 5495 O O . ASN A 1 364 ? -11.793 -59.918 -12.611 1.00 36.01 ? 670 ASN A O 1 ATOM 5496 C CB . ASN A 1 364 ? -12.811 -62.845 -11.887 1.00 36.40 ? 670 ASN A CB 1 ATOM 5497 C CG . ASN A 1 364 ? -13.827 -63.957 -11.696 1.00 41.70 ? 670 ASN A CG 1 ATOM 5498 O OD1 . ASN A 1 364 ? -14.875 -63.777 -11.082 1.00 44.26 ? 670 ASN A OD1 1 ATOM 5499 N ND2 . ASN A 1 364 ? -13.506 -65.123 -12.225 1.00 43.15 ? 670 ASN A ND2 1 ATOM 5500 H H . ASN A 1 364 ? -14.049 -61.459 -13.557 1.00 33.28 ? 670 ASN A H 1 ATOM 5501 H HA . ASN A 1 364 ? -13.914 -61.412 -10.886 1.00 37.85 ? 670 ASN A HA 1 ATOM 5502 H HB2 . ASN A 1 364 ? -12.452 -62.922 -12.784 1.00 43.68 ? 670 ASN A HB2 1 ATOM 5503 H HB3 . ASN A 1 364 ? -12.103 -62.975 -11.236 1.00 43.68 ? 670 ASN A HB3 1 ATOM 5504 H HD21 . ASN A 1 364 ? -14.042 -65.791 -12.150 1.00 51.77 ? 670 ASN A HD21 1 ATOM 5505 H HD22 . ASN A 1 364 ? -12.761 -65.214 -12.645 1.00 51.77 ? 670 ASN A HD22 1 ATOM 5506 N N . ILE A 1 365 ? -11.781 -60.230 -10.386 1.00 32.41 ? 671 ILE A N 1 ATOM 5507 C CA . ILE A 1 365 ? -10.608 -59.402 -10.153 1.00 36.24 ? 671 ILE A CA 1 ATOM 5508 C C . ILE A 1 365 ? -9.596 -60.265 -9.423 1.00 33.22 ? 671 ILE A C 1 ATOM 5509 O O . ILE A 1 365 ? -9.904 -60.820 -8.360 1.00 36.30 ? 671 ILE A O 1 ATOM 5510 C CB . ILE A 1 365 ? -10.936 -58.142 -9.337 1.00 39.90 ? 671 ILE A CB 1 ATOM 5511 C CG1 . ILE A 1 365 ? -11.942 -57.253 -10.072 1.00 39.36 ? 671 ILE A CG1 1 ATOM 5512 C CG2 . ILE A 1 365 ? -9.655 -57.355 -9.054 1.00 38.51 ? 671 ILE A CG2 1 ATOM 5513 C CD1 . ILE A 1 365 ? -12.532 -56.130 -9.189 1.00 36.87 ? 671 ILE A CD1 1 ATOM 5514 H H . ILE A 1 365 ? -12.129 -60.550 -9.668 1.00 38.89 ? 671 ILE A H 1 ATOM 5515 H HA . ILE A 1 365 ? -10.227 -59.130 -11.002 1.00 43.49 ? 671 ILE A HA 1 ATOM 5516 H HB . ILE A 1 365 ? -11.325 -58.414 -8.491 1.00 47.88 ? 671 ILE A HB 1 ATOM 5517 H HG12 . ILE A 1 365 ? -11.499 -56.835 -10.828 1.00 47.23 ? 671 ILE A HG12 1 ATOM 5518 H HG13 . ILE A 1 365 ? -12.677 -57.803 -10.384 1.00 47.23 ? 671 ILE A HG13 1 ATOM 5519 H HG21 . ILE A 1 365 ? -9.878 -56.564 -8.539 1.00 46.21 ? 671 ILE A HG21 1 ATOM 5520 H HG22 . ILE A 1 365 ? -9.045 -57.917 -8.550 1.00 46.21 ? 671 ILE A HG22 1 ATOM 5521 H HG23 . ILE A 1 365 ? -9.249 -57.099 -9.897 1.00 46.21 ? 671 ILE A HG23 1 ATOM 5522 H HD11 . ILE A 1 365 ? -13.158 -55.609 -9.716 1.00 44.24 ? 671 ILE A HD11 1 ATOM 5523 H HD12 . ILE A 1 365 ? -12.989 -56.531 -8.433 1.00 44.24 ? 671 ILE A HD12 1 ATOM 5524 H HD13 . ILE A 1 365 ? -11.810 -55.563 -8.876 1.00 44.24 ? 671 ILE A HD13 1 ATOM 5525 N N . PHE A 1 366 ? -8.401 -60.387 -9.989 1.00 37.91 ? 672 PHE A N 1 ATOM 5526 C CA . PHE A 1 366 ? -7.327 -61.139 -9.358 1.00 44.99 ? 672 PHE A CA 1 ATOM 5527 C C . PHE A 1 366 ? -6.198 -60.208 -8.931 1.00 42.11 ? 672 PHE A C 1 ATOM 5528 O O . PHE A 1 366 ? -6.056 -59.102 -9.464 1.00 35.40 ? 672 PHE A O 1 ATOM 5529 C CB . PHE A 1 366 ? -6.773 -62.201 -10.318 1.00 40.47 ? 672 PHE A CB 1 ATOM 5530 C CG . PHE A 1 366 ? -7.803 -63.163 -10.804 1.00 39.37 ? 672 PHE A CG 1 ATOM 5531 C CD1 . PHE A 1 366 ? -8.107 -64.294 -10.079 1.00 41.81 ? 672 PHE A CD1 1 ATOM 5532 C CD2 . PHE A 1 366 ? -8.486 -62.926 -11.979 1.00 39.98 ? 672 PHE A CD2 1 ATOM 5533 C CE1 . PHE A 1 366 ? -9.066 -65.187 -10.524 1.00 41.71 ? 672 PHE A CE1 1 ATOM 5534 C CE2 . PHE A 1 366 ? -9.450 -63.822 -12.436 1.00 50.06 ? 672 PHE A CE2 1 ATOM 5535 C CZ . PHE A 1 366 ? -9.739 -64.950 -11.702 1.00 43.11 ? 672 PHE A CZ 1 ATOM 5536 H H . PHE A 1 366 ? -8.185 -60.039 -10.745 1.00 45.50 ? 672 PHE A H 1 ATOM 5537 H HA . PHE A 1 366 ? -7.669 -61.588 -8.569 1.00 53.99 ? 672 PHE A HA 1 ATOM 5538 H HB2 . PHE A 1 366 ? -6.393 -61.756 -11.092 1.00 48.57 ? 672 PHE A HB2 1 ATOM 5539 H HB3 . PHE A 1 366 ? -6.085 -62.709 -9.860 1.00 48.57 ? 672 PHE A HB3 1 ATOM 5540 H HD1 . PHE A 1 366 ? -7.656 -64.463 -9.283 1.00 50.17 ? 672 PHE A HD1 1 ATOM 5541 H HD2 . PHE A 1 366 ? -8.292 -62.166 -12.478 1.00 47.98 ? 672 PHE A HD2 1 ATOM 5542 H HE1 . PHE A 1 366 ? -9.257 -65.948 -10.026 1.00 50.05 ? 672 PHE A HE1 1 ATOM 5543 H HE2 . PHE A 1 366 ? -9.902 -63.654 -13.231 1.00 60.07 ? 672 PHE A HE2 1 ATOM 5544 H HZ . PHE A 1 366 ? -10.384 -65.550 -12.000 1.00 51.74 ? 672 PHE A HZ 1 ATOM 5545 N N . PRO A 1 367 ? -5.373 -60.622 -7.974 1.00 46.60 ? 673 PRO A N 1 ATOM 5546 C CA . PRO A 1 367 ? -4.221 -59.803 -7.588 1.00 45.84 ? 673 PRO A CA 1 ATOM 5547 C C . PRO A 1 367 ? -3.138 -59.838 -8.656 1.00 51.79 ? 673 PRO A C 1 ATOM 5548 O O . PRO A 1 367 ? -3.038 -60.773 -9.455 1.00 48.85 ? 673 PRO A O 1 ATOM 5549 C CB . PRO A 1 367 ? -3.745 -60.452 -6.284 1.00 42.07 ? 673 PRO A CB 1 ATOM 5550 C CG . PRO A 1 367 ? -4.214 -61.869 -6.381 1.00 46.87 ? 673 PRO A CG 1 ATOM 5551 C CD . PRO A 1 367 ? -5.515 -61.819 -7.124 1.00 52.54 ? 673 PRO A CD 1 ATOM 5552 H HA . PRO A 1 367 ? -4.490 -58.886 -7.420 1.00 55.01 ? 673 PRO A HA 1 ATOM 5553 H HB2 . PRO A 1 367 ? -2.777 -60.412 -6.231 1.00 50.49 ? 673 PRO A HB2 1 ATOM 5554 H HB3 . PRO A 1 367 ? -4.152 -60.005 -5.526 1.00 50.49 ? 673 PRO A HB3 1 ATOM 5555 H HG2 . PRO A 1 367 ? -3.562 -62.395 -6.871 1.00 56.24 ? 673 PRO A HG2 1 ATOM 5556 H HG3 . PRO A 1 367 ? -4.344 -62.230 -5.490 1.00 56.24 ? 673 PRO A HG3 1 ATOM 5557 H HD2 . PRO A 1 367 ? -5.622 -62.613 -7.672 1.00 63.05 ? 673 PRO A HD2 1 ATOM 5558 H HD3 . PRO A 1 367 ? -6.254 -61.710 -6.506 1.00 63.05 ? 673 PRO A HD3 1 ATOM 5559 N N . CYS A 1 368 ? -2.326 -58.782 -8.661 1.00 40.67 ? 674 CYS A N 1 ATOM 5560 C CA . CYS A 1 368 ? -1.289 -58.595 -9.682 1.00 50.66 ? 674 CYS A CA 1 ATOM 5561 C C . CYS A 1 368 ? -0.055 -59.480 -9.477 1.00 54.46 ? 674 CYS A C 1 ATOM 5562 O O . CYS A 1 368 ? 0.133 -60.081 -8.412 1.00 60.15 ? 674 CYS A O 1 ATOM 5563 C CB . CYS A 1 368 ? -0.866 -57.132 -9.707 1.00 56.39 ? 674 CYS A CB 1 ATOM 5564 S SG . CYS A 1 368 ? -2.192 -56.002 -10.207 1.00 56.50 ? 674 CYS A SG 1 ATOM 5565 H H . CYS A 1 368 ? -2.354 -58.151 -8.078 1.00 48.80 ? 674 CYS A H 1 ATOM 5566 H HA . CYS A 1 368 ? -1.665 -58.810 -10.550 1.00 60.79 ? 674 CYS A HA 1 ATOM 5567 H HB2 . CYS A 1 368 ? -0.577 -56.875 -8.817 1.00 67.67 ? 674 CYS A HB2 1 ATOM 5568 H HB3 . CYS A 1 368 ? -0.134 -57.028 -10.335 1.00 67.67 ? 674 CYS A HB3 1 HETATM 5569 C C1 . NAG B 2 . ? -37.818 -12.015 1.558 1.00 59.14 ? 701 NAG A C1 1 HETATM 5570 C C2 . NAG B 2 . ? -38.681 -13.126 0.964 1.00 61.82 ? 701 NAG A C2 1 HETATM 5571 C C3 . NAG B 2 . ? -39.850 -12.519 0.184 1.00 65.57 ? 701 NAG A C3 1 HETATM 5572 C C4 . NAG B 2 . ? -40.649 -11.574 1.072 1.00 68.78 ? 701 NAG A C4 1 HETATM 5573 C C5 . NAG B 2 . ? -39.734 -10.506 1.660 1.00 63.08 ? 701 NAG A C5 1 HETATM 5574 C C6 . NAG B 2 . ? -40.445 -9.603 2.647 1.00 70.04 ? 701 NAG A C6 1 HETATM 5575 C C7 . NAG B 2 . ? -37.725 -15.297 0.299 1.00 52.08 ? 701 NAG A C7 1 HETATM 5576 C C8 . NAG B 2 . ? -36.857 -16.002 -0.695 1.00 56.31 ? 701 NAG A C8 1 HETATM 5577 N N2 . NAG B 2 . ? -37.882 -13.983 0.102 1.00 60.90 ? 701 NAG A N2 1 HETATM 5578 O O3 . NAG B 2 . ? -40.692 -13.548 -0.325 1.00 73.31 ? 701 NAG A O3 1 HETATM 5579 O O4 . NAG B 2 . ? -41.678 -10.934 0.324 1.00 77.58 ? 701 NAG A O4 1 HETATM 5580 O O5 . NAG B 2 . ? -38.647 -11.128 2.363 1.00 69.44 ? 701 NAG A O5 1 HETATM 5581 O O6 . NAG B 2 . ? -40.250 -9.999 3.999 1.00 74.34 ? 701 NAG A O6 1 HETATM 5582 O O7 . NAG B 2 . ? -38.259 -15.889 1.233 1.00 56.13 ? 701 NAG A O7 1 HETATM 5583 H H2 . NAG B 2 . ? -39.045 -13.662 1.694 1.00 74.19 ? 701 NAG A H2 1 HETATM 5584 H H3 . NAG B 2 . ? -39.491 -12.010 -0.568 1.00 78.68 ? 701 NAG A H3 1 HETATM 5585 H H4 . NAG B 2 . ? -41.053 -12.084 1.799 1.00 82.54 ? 701 NAG A H4 1 HETATM 5586 H H5 . NAG B 2 . ? -39.373 -9.963 0.934 1.00 75.69 ? 701 NAG A H5 1 HETATM 5587 H H61 . NAG B 2 . ? -41.401 -9.615 2.450 1.00 84.05 ? 701 NAG A H61 1 HETATM 5588 H H62 . NAG B 2 . ? -40.112 -8.693 2.535 1.00 84.05 ? 701 NAG A H62 1 HETATM 5589 H H81 . NAG B 2 . ? -37.238 -15.903 -1.588 1.00 67.57 ? 701 NAG A H81 1 HETATM 5590 H H82 . NAG B 2 . ? -36.805 -16.950 -0.467 1.00 67.57 ? 701 NAG A H82 1 HETATM 5591 H H83 . NAG B 2 . ? -35.962 -15.614 -0.679 1.00 67.57 ? 701 NAG A H83 1 HETATM 5592 H HN2 . NAG B 2 . ? -37.457 -13.601 -0.609 1.00 73.08 ? 701 NAG A HN2 1 HETATM 5593 H HO3 . NAG B 2 . ? -40.568 -13.626 -1.201 1.00 87.97 ? 701 NAG A HO3 1 HETATM 5594 H HO4 . NAG B 2 . ? -42.467 -11.261 0.566 1.00 93.10 ? 701 NAG A HO4 1 HETATM 5595 H HO6 . NAG B 2 . ? -40.716 -9.464 4.534 1.00 89.21 ? 701 NAG A HO6 1 HETATM 5596 C C1 . NAG C 2 . ? -5.188 -23.032 36.820 1.00 55.65 ? 702 NAG A C1 1 HETATM 5597 C C2 . NAG C 2 . ? -4.801 -24.255 37.639 1.00 58.43 ? 702 NAG A C2 1 HETATM 5598 C C3 . NAG C 2 . ? -4.573 -23.845 39.084 1.00 61.11 ? 702 NAG A C3 1 HETATM 5599 C C4 . NAG C 2 . ? -3.481 -22.785 39.142 1.00 54.45 ? 702 NAG A C4 1 HETATM 5600 C C5 . NAG C 2 . ? -3.774 -21.618 38.192 1.00 58.01 ? 702 NAG A C5 1 HETATM 5601 C C6 . NAG C 2 . ? -2.589 -20.691 38.040 1.00 59.29 ? 702 NAG A C6 1 HETATM 5602 C C7 . NAG C 2 . ? -5.606 -26.414 36.817 1.00 65.27 ? 702 NAG A C7 1 HETATM 5603 C C8 . NAG C 2 . ? -6.728 -27.410 36.827 1.00 71.18 ? 702 NAG A C8 1 HETATM 5604 N N2 . NAG C 2 . ? -5.795 -25.311 37.547 1.00 56.07 ? 702 NAG A N2 1 HETATM 5605 O O3 . NAG C 2 . ? -4.216 -24.981 39.869 1.00 58.89 ? 702 NAG A O3 1 HETATM 5606 O O4 . NAG C 2 . ? -3.391 -22.273 40.467 1.00 64.34 ? 702 NAG A O4 1 HETATM 5607 O O5 . NAG C 2 . ? -4.118 -22.070 36.866 1.00 50.68 ? 702 NAG A O5 1 HETATM 5608 O O6 . NAG C 2 . ? -2.658 -19.598 38.946 1.00 81.04 ? 702 NAG A O6 1 HETATM 5609 O O7 . NAG C 2 . ? -4.578 -26.596 36.169 1.00 60.66 ? 702 NAG A O7 1 HETATM 5610 H H2 . NAG C 2 . ? -3.956 -24.598 37.290 1.00 70.12 ? 702 NAG A H2 1 HETATM 5611 H H3 . NAG C 2 . ? -5.399 -23.466 39.438 1.00 73.33 ? 702 NAG A H3 1 HETATM 5612 H H4 . NAG C 2 . ? -2.627 -23.191 38.897 1.00 65.33 ? 702 NAG A H4 1 HETATM 5613 H H5 . NAG C 2 . ? -4.525 -21.107 38.551 1.00 69.62 ? 702 NAG A H5 1 HETATM 5614 H H61 . NAG C 2 . ? -2.569 -20.347 37.127 1.00 71.15 ? 702 NAG A H61 1 HETATM 5615 H H62 . NAG C 2 . ? -1.769 -21.193 38.209 1.00 71.15 ? 702 NAG A H62 1 HETATM 5616 H H81 . NAG C 2 . ? -7.538 -26.991 36.480 1.00 85.42 ? 702 NAG A H81 1 HETATM 5617 H H82 . NAG C 2 . ? -6.885 -27.715 37.741 1.00 85.42 ? 702 NAG A H82 1 HETATM 5618 H H83 . NAG C 2 . ? -6.491 -28.173 36.266 1.00 85.42 ? 702 NAG A H83 1 HETATM 5619 H HN2 . NAG C 2 . ? -6.575 -25.221 38.011 1.00 67.29 ? 702 NAG A HN2 1 HETATM 5620 H HO3 . NAG C 2 . ? -4.281 -24.778 40.731 1.00 70.67 ? 702 NAG A HO3 1 HETATM 5621 H HO4 . NAG C 2 . ? -2.562 -21.994 40.621 1.00 77.20 ? 702 NAG A HO4 1 HETATM 5622 H HO6 . NAG C 2 . ? -2.110 -19.745 39.629 1.00 97.25 ? 702 NAG A HO6 1 HETATM 5623 C C1 . NAG D 2 . ? -30.743 -3.253 23.639 1.00 76.57 ? 703 NAG A C1 1 HETATM 5624 C C2 . NAG D 2 . ? -31.309 -2.887 25.016 1.00 81.74 ? 703 NAG A C2 1 HETATM 5625 C C3 . NAG D 2 . ? -32.230 -1.672 24.912 1.00 78.16 ? 703 NAG A C3 1 HETATM 5626 C C4 . NAG D 2 . ? -31.510 -0.516 24.232 1.00 78.04 ? 703 NAG A C4 1 HETATM 5627 C C5 . NAG D 2 . ? -30.991 -0.965 22.868 1.00 76.11 ? 703 NAG A C5 1 HETATM 5628 C C6 . NAG D 2 . ? -30.194 0.106 22.155 1.00 70.49 ? 703 NAG A C6 1 HETATM 5629 C C7 . NAG D 2 . ? -31.499 -4.797 26.550 1.00 70.89 ? 703 NAG A C7 1 HETATM 5630 C C8 . NAG D 2 . ? -32.380 -5.906 27.039 1.00 67.57 ? 703 NAG A C8 1 HETATM 5631 N N2 . NAG D 2 . ? -32.019 -4.014 25.600 1.00 80.39 ? 703 NAG A N2 1 HETATM 5632 O O3 . NAG D 2 . ? -32.647 -1.281 26.215 1.00 75.69 ? 703 NAG A O3 1 HETATM 5633 O O4 . NAG D 2 . ? -32.392 0.592 24.084 1.00 82.90 ? 703 NAG A O4 1 HETATM 5634 O O5 . NAG D 2 . ? -30.116 -2.089 23.041 1.00 80.98 ? 703 NAG A O5 1 HETATM 5635 O O6 . NAG D 2 . ? -29.960 -0.228 20.793 1.00 82.68 ? 703 NAG A O6 1 HETATM 5636 O O7 . NAG D 2 . ? -30.368 -4.621 26.993 1.00 63.69 ? 703 NAG A O7 1 HETATM 5637 H H2 . NAG D 2 . ? -30.564 -2.653 25.601 1.00 98.09 ? 703 NAG A H2 1 HETATM 5638 H H3 . NAG D 2 . ? -33.016 -1.912 24.385 1.00 93.80 ? 703 NAG A H3 1 HETATM 5639 H H4 . NAG D 2 . ? -30.753 -0.245 24.785 1.00 93.65 ? 703 NAG A H4 1 HETATM 5640 H H5 . NAG D 2 . ? -31.747 -1.228 22.309 1.00 91.33 ? 703 NAG A H5 1 HETATM 5641 H H61 . NAG D 2 . ? -29.336 0.217 22.607 1.00 84.59 ? 703 NAG A H61 1 HETATM 5642 H H62 . NAG D 2 . ? -30.686 0.948 22.195 1.00 84.59 ? 703 NAG A H62 1 HETATM 5643 H H81 . NAG D 2 . ? -32.604 -6.495 26.294 1.00 81.08 ? 703 NAG A H81 1 HETATM 5644 H H82 . NAG D 2 . ? -33.198 -5.530 27.414 1.00 81.08 ? 703 NAG A H82 1 HETATM 5645 H H83 . NAG D 2 . ? -31.910 -6.415 27.726 1.00 81.08 ? 703 NAG A H83 1 HETATM 5646 H HN2 . NAG D 2 . ? -32.865 -4.189 25.309 1.00 96.46 ? 703 NAG A HN2 1 HETATM 5647 H HO3 . NAG D 2 . ? -33.353 -0.746 26.152 1.00 90.83 ? 703 NAG A HO3 1 HETATM 5648 H HO4 . NAG D 2 . ? -32.603 0.912 24.885 1.00 99.48 ? 703 NAG A HO4 1 HETATM 5649 H HO6 . NAG D 2 . ? -29.938 -1.111 20.705 1.00 99.22 ? 703 NAG A HO6 1 HETATM 5650 C C1 . NAG E 2 . ? -24.869 -30.177 -13.632 1.00 62.84 ? 704 NAG A C1 1 HETATM 5651 C C2 . NAG E 2 . ? -26.378 -30.395 -13.683 1.00 65.01 ? 704 NAG A C2 1 HETATM 5652 C C3 . NAG E 2 . ? -26.769 -31.110 -14.971 1.00 77.36 ? 704 NAG A C3 1 HETATM 5653 C C4 . NAG E 2 . ? -26.196 -30.385 -16.181 1.00 85.73 ? 704 NAG A C4 1 HETATM 5654 C C5 . NAG E 2 . ? -24.695 -30.161 -16.010 1.00 77.62 ? 704 NAG A C5 1 HETATM 5655 C C6 . NAG E 2 . ? -24.086 -29.335 -17.118 1.00 66.83 ? 704 NAG A C6 1 HETATM 5656 C C7 . NAG E 2 . ? -27.354 -30.557 -11.437 1.00 75.45 ? 704 NAG A C7 1 HETATM 5657 C C8 . NAG E 2 . ? -27.779 -31.480 -10.333 1.00 65.65 ? 704 NAG A C8 1 HETATM 5658 N N2 . NAG E 2 . ? -26.837 -31.142 -12.523 1.00 66.91 ? 704 NAG A N2 1 HETATM 5659 O O3 . NAG E 2 . ? -28.190 -31.146 -15.054 1.00 78.22 ? 704 NAG A O3 1 HETATM 5660 O O4 . NAG E 2 . ? -26.423 -31.152 -17.358 1.00 82.06 ? 704 NAG A O4 1 HETATM 5661 O O5 . NAG E 2 . ? -24.449 -29.454 -14.786 1.00 66.70 ? 704 NAG A O5 1 HETATM 5662 O O6 . NAG E 2 . ? -24.872 -28.184 -17.395 1.00 74.17 ? 704 NAG A O6 1 HETATM 5663 O O7 . NAG E 2 . ? -27.471 -29.337 -11.347 1.00 64.60 ? 704 NAG A O7 1 HETATM 5664 H H2 . NAG E 2 . ? -26.813 -29.521 -13.680 1.00 78.01 ? 704 NAG A H2 1 HETATM 5665 H H3 . NAG E 2 . ? -26.425 -32.023 -14.949 1.00 92.84 ? 704 NAG A H3 1 HETATM 5666 H H4 . NAG E 2 . ? -26.638 -29.520 -16.274 1.00 102.87 ? 704 NAG A H4 1 HETATM 5667 H H5 . NAG E 2 . ? -24.246 -31.027 -15.974 1.00 93.15 ? 704 NAG A H5 1 HETATM 5668 H H61 . NAG E 2 . ? -24.023 -29.880 -17.925 1.00 80.20 ? 704 NAG A H61 1 HETATM 5669 H H62 . NAG E 2 . ? -23.190 -29.053 -16.852 1.00 80.20 ? 704 NAG A H62 1 HETATM 5670 H H81 . NAG E 2 . ? -27.008 -31.994 -10.025 1.00 78.78 ? 704 NAG A H81 1 HETATM 5671 H H82 . NAG E 2 . ? -28.139 -30.957 -9.593 1.00 78.78 ? 704 NAG A H82 1 HETATM 5672 H H83 . NAG E 2 . ? -28.465 -32.090 -10.665 1.00 78.78 ? 704 NAG A H83 1 HETATM 5673 H HN2 . NAG E 2 . ? -26.773 -32.052 -12.539 1.00 80.29 ? 704 NAG A HN2 1 HETATM 5674 H HO3 . NAG E 2 . ? -28.535 -31.137 -14.235 1.00 93.87 ? 704 NAG A HO3 1 HETATM 5675 H HO4 . NAG E 2 . ? -27.296 -31.207 -17.512 1.00 98.47 ? 704 NAG A HO4 1 HETATM 5676 H HO6 . NAG E 2 . ? -24.457 -27.679 -17.996 1.00 89.00 ? 704 NAG A HO6 1 HETATM 5677 C C1 . SUC F 3 . ? -15.023 -70.355 -13.691 1.00 49.30 ? 705 SUC A C1 1 HETATM 5678 C C2 . SUC F 3 . ? -15.242 -69.872 -12.258 1.00 45.45 ? 705 SUC A C2 1 HETATM 5679 C C3 . SUC F 3 . ? -14.220 -70.519 -11.340 1.00 52.12 ? 705 SUC A C3 1 HETATM 5680 C C4 . SUC F 3 . ? -14.480 -72.012 -11.373 1.00 56.11 ? 705 SUC A C4 1 HETATM 5681 C C5 . SUC F 3 . ? -14.509 -72.582 -12.794 1.00 55.00 ? 705 SUC A C5 1 HETATM 5682 C C6 . SUC F 3 . ? -15.303 -73.901 -12.718 1.00 34.99 ? 705 SUC A C6 1 HETATM 5683 O O1 . SUC F 3 . ? -13.766 -69.878 -14.122 1.00 53.81 ? 705 SUC A O1 1 HETATM 5684 O O2 . SUC F 3 . ? -15.138 -68.462 -12.232 1.00 55.16 ? 705 SUC A O2 1 HETATM 5685 O O3 . SUC F 3 . ? -14.346 -70.076 -10.011 1.00 46.65 ? 705 SUC A O3 1 HETATM 5686 O O4 . SUC F 3 . ? -13.475 -72.700 -10.653 1.00 52.51 ? 705 SUC A O4 1 HETATM 5687 O O5 . SUC F 3 . ? -15.107 -71.763 -13.789 1.00 39.38 ? 705 SUC A O5 1 HETATM 5688 O O6 . SUC F 3 . ? -14.514 -74.969 -13.118 1.00 44.91 ? 705 SUC A O6 1 HETATM 5689 C "C1'" . SUC F 3 . ? -14.530 -68.177 -15.721 1.00 47.18 ? 705 SUC A "C1'" 1 HETATM 5690 C "C2'" . SUC F 3 . ? -13.673 -69.411 -15.451 1.00 57.00 ? 705 SUC A "C2'" 1 HETATM 5691 C "C3'" . SUC F 3 . ? -12.205 -69.097 -15.719 1.00 62.98 ? 705 SUC A "C3'" 1 HETATM 5692 C "C4'" . SUC F 3 . ? -11.643 -70.404 -16.250 1.00 52.49 ? 705 SUC A "C4'" 1 HETATM 5693 C "C5'" . SUC F 3 . ? -12.855 -71.072 -16.870 1.00 59.82 ? 705 SUC A "C5'" 1 HETATM 5694 C "C6'" . SUC F 3 . ? -12.845 -72.586 -16.649 1.00 43.84 ? 705 SUC A "C6'" 1 HETATM 5695 O "O1'" . SUC F 3 . ? -14.387 -67.807 -17.078 1.00 51.57 ? 705 SUC A "O1'" 1 HETATM 5696 O "O2'" . SUC F 3 . ? -14.015 -70.468 -16.318 1.00 51.42 ? 705 SUC A "O2'" 1 HETATM 5697 O "O3'" . SUC F 3 . ? -11.556 -68.679 -14.541 1.00 57.38 ? 705 SUC A "O3'" 1 HETATM 5698 O "O4'" . SUC F 3 . ? -10.641 -70.260 -17.230 1.00 53.23 ? 705 SUC A "O4'" 1 HETATM 5699 O "O6'" . SUC F 3 . ? -12.894 -73.234 -17.906 1.00 71.75 ? 705 SUC A "O6'" 1 HETATM 5700 H H1 . SUC F 3 . ? -15.801 -69.911 -14.313 1.00 59.16 ? 705 SUC A H1 1 HETATM 5701 H H2 . SUC F 3 . ? -16.239 -70.174 -11.937 1.00 54.54 ? 705 SUC A H2 1 HETATM 5702 H H3 . SUC F 3 . ? -13.217 -70.319 -11.716 1.00 62.54 ? 705 SUC A H3 1 HETATM 5703 H H4 . SUC F 3 . ? -15.449 -72.200 -10.911 1.00 67.33 ? 705 SUC A H4 1 HETATM 5704 H H5 . SUC F 3 . ? -13.486 -72.817 -13.087 1.00 66.00 ? 705 SUC A H5 1 HETATM 5705 H H61 . SUC F 3 . ? -16.182 -73.836 -13.360 1.00 41.99 ? 705 SUC A H61 1 HETATM 5706 H H62 . SUC F 3 . ? -15.645 -74.064 -11.696 1.00 41.99 ? 705 SUC A H62 1 HETATM 5707 H HO2 . SUC F 3 . ? -14.952 -68.132 -13.135 1.00 66.19 ? 705 SUC A HO2 1 HETATM 5708 H HO3 . SUC F 3 . ? -15.079 -69.429 -9.951 1.00 55.98 ? 705 SUC A HO3 1 HETATM 5709 H HO4 . SUC F 3 . ? -12.833 -72.055 -10.291 1.00 63.01 ? 705 SUC A HO4 1 HETATM 5710 H HO6 . SUC F 3 . ? -13.622 -74.642 -13.361 1.00 53.89 ? 705 SUC A HO6 1 HETATM 5711 H "H1'1" . SUC F 3 . ? -14.213 -67.357 -15.078 1.00 56.61 ? 705 SUC A "H1'1" 1 HETATM 5712 H "H1'2" . SUC F 3 . ? -15.576 -68.398 -15.506 1.00 56.61 ? 705 SUC A "H1'2" 1 HETATM 5713 H "H3'" . SUC F 3 . ? -12.134 -68.330 -16.490 1.00 75.57 ? 705 SUC A "H3'" 1 HETATM 5714 H "H4'" . SUC F 3 . ? -11.282 -71.009 -15.417 1.00 62.99 ? 705 SUC A "H4'" 1 HETATM 5715 H "H5'" . SUC F 3 . ? -12.831 -70.887 -17.944 1.00 71.79 ? 705 SUC A "H5'" 1 HETATM 5716 H "H6'1" . SUC F 3 . ? -13.705 -72.879 -16.047 1.00 52.60 ? 705 SUC A "H6'1" 1 HETATM 5717 H "H6'2" . SUC F 3 . ? -11.939 -72.877 -16.117 1.00 52.60 ? 705 SUC A "H6'2" 1 HETATM 5718 H "HO1'" . SUC F 3 . ? -15.196 -68.055 -17.572 1.00 61.88 ? 705 SUC A "HO1'" 1 HETATM 5719 H "HO3'" . SUC F 3 . ? -12.194 -68.681 -13.798 1.00 68.86 ? 705 SUC A "HO3'" 1 HETATM 5720 H "HO4'" . SUC F 3 . ? -10.483 -69.307 -17.398 1.00 63.88 ? 705 SUC A "HO4'" 1 HETATM 5721 H "HO6'" . SUC F 3 . ? -12.923 -72.562 -18.619 1.00 86.10 ? 705 SUC A "HO6'" 1 HETATM 5722 MG MG . MG G 4 . ? 5.585 -13.731 32.113 1.00 26.26 ? 706 MG A MG 1 HETATM 5723 MG MG . MG H 4 . ? -12.093 -3.125 15.460 1.00 16.45 ? 707 MG A MG 1 HETATM 5724 MG MG . MG I 4 . ? -13.440 -67.468 -12.799 1.00 65.13 ? 708 MG A MG 1 HETATM 5725 MG MG . MG J 4 . ? -8.179 -16.710 39.005 1.00 46.67 ? 709 MG A MG 1 HETATM 5726 MG MG . MG K 4 . ? -25.797 -33.073 1.541 1.00 51.79 ? 710 MG A MG 1 HETATM 5727 MG MG . MG L 4 . ? -13.342 -25.190 5.220 1.00 45.79 ? 711 MG A MG 1 HETATM 5728 O O . HOH M 5 . ? -25.195 -11.666 27.538 1.00 42.11 ? 801 HOH A O 1 HETATM 5729 O O . HOH M 5 . ? -2.231 -23.080 41.911 1.00 52.64 ? 802 HOH A O 1 HETATM 5730 O O . HOH M 5 . ? -11.928 -13.550 -4.127 1.00 40.53 ? 803 HOH A O 1 HETATM 5731 O O . HOH M 5 . ? -30.352 -16.411 12.223 1.00 39.54 ? 804 HOH A O 1 HETATM 5732 O O . HOH M 5 . ? -12.713 -45.786 -16.230 1.00 49.62 ? 805 HOH A O 1 HETATM 5733 O O . HOH M 5 . ? -7.642 2.774 58.224 1.00 41.81 ? 806 HOH A O 1 HETATM 5734 O O . HOH M 5 . ? -14.365 -22.514 35.395 1.00 42.55 ? 807 HOH A O 1 HETATM 5735 O O . HOH M 5 . ? -8.382 -20.250 -8.501 1.00 31.00 ? 808 HOH A O 1 HETATM 5736 O O . HOH M 5 . ? -25.671 -33.916 -10.700 1.00 62.58 ? 809 HOH A O 1 HETATM 5737 O O . HOH M 5 . ? -20.446 -10.374 -1.720 1.00 27.70 ? 810 HOH A O 1 HETATM 5738 O O . HOH M 5 . ? -40.804 -9.437 6.120 1.00 72.58 ? 811 HOH A O 1 HETATM 5739 O O . HOH M 5 . ? -8.832 -8.051 52.932 1.00 41.31 ? 812 HOH A O 1 HETATM 5740 O O . HOH M 5 . ? -22.396 -10.947 -4.076 1.00 33.96 ? 813 HOH A O 1 HETATM 5741 O O . HOH M 5 . ? -28.978 -8.521 19.149 1.00 57.05 ? 814 HOH A O 1 HETATM 5742 O O . HOH M 5 . ? -25.873 -26.574 -5.423 1.00 49.46 ? 815 HOH A O 1 HETATM 5743 O O . HOH M 5 . ? -15.760 -39.021 -12.047 1.00 55.75 ? 816 HOH A O 1 HETATM 5744 O O . HOH M 5 . ? -29.470 -9.244 11.572 1.00 35.00 ? 817 HOH A O 1 HETATM 5745 O O . HOH M 5 . ? -14.591 -23.037 32.611 1.00 38.37 ? 818 HOH A O 1 HETATM 5746 O O . HOH M 5 . ? -34.145 0.355 27.095 1.00 71.50 ? 819 HOH A O 1 HETATM 5747 O O . HOH M 5 . ? -27.468 -36.522 -7.804 1.00 42.40 ? 820 HOH A O 1 HETATM 5748 O O . HOH M 5 . ? -14.389 -21.697 -12.698 1.00 43.84 ? 821 HOH A O 1 HETATM 5749 O O . HOH M 5 . ? -18.944 -34.566 -14.464 1.00 39.18 ? 822 HOH A O 1 HETATM 5750 O O . HOH M 5 . ? 7.827 -18.836 34.856 1.00 31.60 ? 823 HOH A O 1 HETATM 5751 O O . HOH M 5 . ? -5.810 -25.482 41.645 1.00 48.19 ? 824 HOH A O 1 HETATM 5752 O O . HOH M 5 . ? -30.369 -18.460 -6.019 1.00 53.92 ? 825 HOH A O 1 HETATM 5753 O O . HOH M 5 . ? -27.463 -8.426 14.441 1.00 48.85 ? 826 HOH A O 1 HETATM 5754 O O . HOH M 5 . ? -24.852 -17.169 31.143 1.00 45.62 ? 827 HOH A O 1 HETATM 5755 O O . HOH M 5 . ? -26.447 -2.794 16.470 1.00 40.97 ? 828 HOH A O 1 HETATM 5756 O O . HOH M 5 . ? -15.065 -10.469 -3.708 1.00 41.40 ? 829 HOH A O 1 HETATM 5757 O O . HOH M 5 . ? -15.542 -40.248 -18.058 1.00 55.89 ? 830 HOH A O 1 HETATM 5758 O O . HOH M 5 . ? 3.236 -19.233 36.322 1.00 44.98 ? 831 HOH A O 1 HETATM 5759 O O . HOH M 5 . ? -9.877 -14.841 1.049 1.00 26.00 ? 832 HOH A O 1 HETATM 5760 O O . HOH M 5 . ? -16.068 -42.323 -13.384 1.00 40.99 ? 833 HOH A O 1 HETATM 5761 O O . HOH M 5 . ? -17.162 -57.975 -23.792 1.00 44.17 ? 834 HOH A O 1 HETATM 5762 O O . HOH M 5 . ? -27.062 -15.839 21.252 1.00 45.90 ? 835 HOH A O 1 HETATM 5763 O O . HOH M 5 . ? -13.523 -2.426 42.913 1.00 35.89 ? 836 HOH A O 1 HETATM 5764 O O . HOH M 5 . ? -13.801 -1.827 35.837 1.00 32.64 ? 837 HOH A O 1 HETATM 5765 O O . HOH M 5 . ? -24.829 -6.968 22.813 1.00 40.71 ? 838 HOH A O 1 HETATM 5766 O O . HOH M 5 . ? -8.382 -6.297 11.309 1.00 24.22 ? 839 HOH A O 1 HETATM 5767 O O . HOH M 5 . ? -17.534 -0.237 8.011 1.00 34.26 ? 840 HOH A O 1 HETATM 5768 O O . HOH M 5 . ? -14.592 -17.949 16.665 1.00 18.12 ? 841 HOH A O 1 HETATM 5769 O O . HOH M 5 . ? -25.610 -59.899 -10.375 1.00 61.15 ? 842 HOH A O 1 HETATM 5770 O O . HOH M 5 . ? -13.500 -9.208 57.605 1.00 41.72 ? 843 HOH A O 1 HETATM 5771 O O . HOH M 5 . ? -8.343 -23.645 4.133 1.00 27.26 ? 844 HOH A O 1 HETATM 5772 O O . HOH M 5 . ? -15.253 -44.814 -7.200 1.00 30.43 ? 845 HOH A O 1 HETATM 5773 O O . HOH M 5 . ? -26.168 -19.083 5.042 1.00 23.36 ? 846 HOH A O 1 HETATM 5774 O O . HOH M 5 . ? -2.387 -11.603 15.528 1.00 33.70 ? 847 HOH A O 1 HETATM 5775 O O . HOH M 5 . ? -31.482 -22.364 1.516 1.00 39.66 ? 848 HOH A O 1 HETATM 5776 O O . HOH M 5 . ? -26.776 -21.449 8.769 1.00 28.01 ? 849 HOH A O 1 HETATM 5777 O O . HOH M 5 . ? -10.207 -22.653 10.584 1.00 22.29 ? 850 HOH A O 1 HETATM 5778 O O . HOH M 5 . ? -29.721 -3.201 7.616 1.00 41.52 ? 851 HOH A O 1 HETATM 5779 O O . HOH M 5 . ? -7.203 -55.991 -16.043 1.00 35.12 ? 852 HOH A O 1 HETATM 5780 O O . HOH M 5 . ? -9.671 -3.677 43.696 1.00 39.43 ? 853 HOH A O 1 HETATM 5781 O O . HOH M 5 . ? -7.398 -13.855 36.909 1.00 26.52 ? 854 HOH A O 1 HETATM 5782 O O . HOH M 5 . ? -17.035 -7.017 47.901 1.00 21.56 ? 855 HOH A O 1 HETATM 5783 O O . HOH M 5 . ? -23.968 -67.190 -17.904 1.00 19.11 ? 856 HOH A O 1 HETATM 5784 O O . HOH M 5 . ? -33.892 -14.576 8.523 1.00 43.49 ? 857 HOH A O 1 HETATM 5785 O O . HOH M 5 . ? -7.651 -5.618 54.324 1.00 40.21 ? 858 HOH A O 1 HETATM 5786 O O . HOH M 5 . ? -19.219 -7.224 4.114 1.00 22.89 ? 859 HOH A O 1 HETATM 5787 O O . HOH M 5 . ? -17.777 -52.968 -18.928 1.00 28.15 ? 860 HOH A O 1 HETATM 5788 O O . HOH M 5 . ? -16.127 -2.543 12.783 1.00 21.79 ? 861 HOH A O 1 HETATM 5789 O O . HOH M 5 . ? -6.959 -6.733 7.362 1.00 33.24 ? 862 HOH A O 1 HETATM 5790 O O . HOH M 5 . ? -14.553 -0.853 21.133 1.00 43.66 ? 863 HOH A O 1 HETATM 5791 O O . HOH M 5 . ? -30.353 -22.283 -3.250 1.00 38.61 ? 864 HOH A O 1 HETATM 5792 O O . HOH M 5 . ? -14.426 -2.629 31.873 1.00 29.81 ? 865 HOH A O 1 HETATM 5793 O O . HOH M 5 . ? -19.544 -60.724 -22.660 1.00 46.05 ? 866 HOH A O 1 HETATM 5794 O O . HOH M 5 . ? -21.832 -23.956 22.292 1.00 28.89 ? 867 HOH A O 1 HETATM 5795 O O . HOH M 5 . ? -16.521 -20.823 48.973 1.00 31.72 ? 868 HOH A O 1 HETATM 5796 O O . HOH M 5 . ? -2.157 -6.791 35.739 1.00 28.99 ? 869 HOH A O 1 HETATM 5797 O O . HOH M 5 . ? -16.432 -39.678 -0.553 1.00 35.44 ? 870 HOH A O 1 HETATM 5798 O O . HOH M 5 . ? -1.044 -17.441 25.903 1.00 45.14 ? 871 HOH A O 1 HETATM 5799 O O . HOH M 5 . ? -9.604 -18.737 39.366 1.00 25.46 ? 872 HOH A O 1 HETATM 5800 O O . HOH M 5 . ? -5.478 -23.400 1.524 1.00 22.46 ? 873 HOH A O 1 HETATM 5801 O O . HOH M 5 . ? -27.232 -19.737 12.224 1.00 40.19 ? 874 HOH A O 1 HETATM 5802 O O . HOH M 5 . ? -6.944 -13.703 20.143 1.00 21.88 ? 875 HOH A O 1 HETATM 5803 O O . HOH M 5 . ? -2.784 -12.887 30.822 1.00 23.43 ? 876 HOH A O 1 HETATM 5804 O O . HOH M 5 . ? -11.049 -3.303 36.014 1.00 51.36 ? 877 HOH A O 1 HETATM 5805 O O . HOH M 5 . ? -20.692 -18.880 39.454 1.00 31.14 ? 878 HOH A O 1 HETATM 5806 O O . HOH M 5 . ? -25.551 -22.631 24.482 1.00 47.59 ? 879 HOH A O 1 HETATM 5807 O O . HOH M 5 . ? -12.528 -21.719 25.895 1.00 29.00 ? 880 HOH A O 1 HETATM 5808 O O . HOH M 5 . ? -27.050 -16.198 -2.800 1.00 29.28 ? 881 HOH A O 1 HETATM 5809 O O . HOH M 5 . ? -4.887 8.575 48.201 1.00 22.33 ? 882 HOH A O 1 HETATM 5810 O O . HOH M 5 . ? -8.696 -5.417 42.217 1.00 30.85 ? 883 HOH A O 1 HETATM 5811 O O . HOH M 5 . ? -24.129 -37.360 2.461 1.00 51.42 ? 884 HOH A O 1 HETATM 5812 O O . HOH M 5 . ? -11.854 -0.134 42.342 1.00 32.57 ? 885 HOH A O 1 HETATM 5813 O O . HOH M 5 . ? -25.283 -39.690 0.659 1.00 43.66 ? 886 HOH A O 1 HETATM 5814 O O . HOH M 5 . ? -10.209 -21.056 13.328 1.00 17.29 ? 887 HOH A O 1 HETATM 5815 O O . HOH M 5 . ? -42.515 -8.984 -1.347 1.00 57.81 ? 888 HOH A O 1 HETATM 5816 O O . HOH M 5 . ? -7.242 1.652 53.014 1.00 21.78 ? 889 HOH A O 1 HETATM 5817 O O . HOH M 5 . ? -12.868 -28.055 13.857 1.00 44.40 ? 890 HOH A O 1 HETATM 5818 O O . HOH M 5 . ? -10.190 -13.354 46.505 1.00 21.51 ? 891 HOH A O 1 HETATM 5819 O O . HOH M 5 . ? -3.668 -6.876 38.437 1.00 28.76 ? 892 HOH A O 1 HETATM 5820 O O . HOH M 5 . ? -4.081 -19.296 25.784 1.00 40.01 ? 893 HOH A O 1 HETATM 5821 O O . HOH M 5 . ? -21.609 -10.482 -8.482 1.00 45.18 ? 894 HOH A O 1 HETATM 5822 O O . HOH M 5 . ? -4.902 -27.537 40.519 1.00 49.06 ? 895 HOH A O 1 HETATM 5823 O O . HOH M 5 . ? -24.494 -15.908 22.665 1.00 24.94 ? 896 HOH A O 1 HETATM 5824 O O . HOH M 5 . ? -3.385 -8.498 25.981 1.00 36.50 ? 897 HOH A O 1 HETATM 5825 O O . HOH M 5 . ? -14.775 -21.568 22.380 1.00 28.02 ? 898 HOH A O 1 HETATM 5826 O O . HOH M 5 . ? -11.623 -10.210 24.745 1.00 19.03 ? 899 HOH A O 1 HETATM 5827 O O . HOH M 5 . ? -10.833 -17.065 -9.860 1.00 31.09 ? 900 HOH A O 1 HETATM 5828 O O . HOH M 5 . ? -6.839 -30.420 1.123 1.00 32.37 ? 901 HOH A O 1 HETATM 5829 O O . HOH M 5 . ? -10.050 -7.074 35.243 1.00 24.77 ? 902 HOH A O 1 HETATM 5830 O O . HOH M 5 . ? -23.324 -6.929 -1.550 1.00 30.74 ? 903 HOH A O 1 HETATM 5831 O O . HOH M 5 . ? -5.017 -8.429 5.732 1.00 36.49 ? 904 HOH A O 1 HETATM 5832 O O . HOH M 5 . ? -23.664 -27.987 9.843 1.00 41.44 ? 905 HOH A O 1 HETATM 5833 O O . HOH M 5 . ? -16.304 -26.611 39.224 1.00 53.82 ? 906 HOH A O 1 HETATM 5834 O O . HOH M 5 . ? -5.326 -21.022 29.549 1.00 39.53 ? 907 HOH A O 1 HETATM 5835 O O . HOH M 5 . ? -14.274 -22.603 27.748 1.00 28.82 ? 908 HOH A O 1 HETATM 5836 O O . HOH M 5 . ? -31.635 -25.440 -4.930 1.00 55.36 ? 909 HOH A O 1 HETATM 5837 O O . HOH M 5 . ? -6.804 -14.450 39.822 1.00 30.11 ? 910 HOH A O 1 HETATM 5838 O O . HOH M 5 . ? -9.652 -14.875 38.711 1.00 30.25 ? 911 HOH A O 1 HETATM 5839 O O . HOH M 5 . ? -4.571 -12.389 49.998 1.00 40.81 ? 912 HOH A O 1 HETATM 5840 O O . HOH M 5 . ? -23.892 -57.025 -20.718 1.00 37.94 ? 913 HOH A O 1 HETATM 5841 O O . HOH M 5 . ? -11.571 -37.275 -9.790 1.00 36.87 ? 914 HOH A O 1 HETATM 5842 O O . HOH M 5 . ? -9.229 -21.237 20.294 1.00 34.19 ? 915 HOH A O 1 HETATM 5843 O O . HOH M 5 . ? -14.769 -0.428 45.420 1.00 24.29 ? 916 HOH A O 1 HETATM 5844 O O . HOH M 5 . ? -4.642 -17.598 6.559 1.00 24.27 ? 917 HOH A O 1 HETATM 5845 O O . HOH M 5 . ? -19.709 -60.227 -18.650 1.00 29.17 ? 918 HOH A O 1 HETATM 5846 O O . HOH M 5 . ? -24.710 -2.443 12.395 1.00 40.41 ? 919 HOH A O 1 HETATM 5847 O O . HOH M 5 . ? -24.630 -40.750 -8.436 1.00 33.13 ? 920 HOH A O 1 HETATM 5848 O O . HOH M 5 . ? -13.837 -9.520 41.699 1.00 21.61 ? 921 HOH A O 1 HETATM 5849 O O . HOH M 5 . ? -10.422 -3.655 57.586 1.00 34.38 ? 922 HOH A O 1 HETATM 5850 O O . HOH M 5 . ? -4.713 -17.185 14.363 1.00 26.37 ? 923 HOH A O 1 HETATM 5851 O O . HOH M 5 . ? -14.046 -25.331 16.996 1.00 32.88 ? 924 HOH A O 1 HETATM 5852 O O . HOH M 5 . ? -29.274 -10.415 14.661 1.00 40.86 ? 925 HOH A O 1 HETATM 5853 O O . HOH M 5 . ? -6.289 -14.256 46.648 1.00 38.93 ? 926 HOH A O 1 HETATM 5854 O O . HOH M 5 . ? -15.866 -0.790 15.960 1.00 29.02 ? 927 HOH A O 1 HETATM 5855 O O . HOH M 5 . ? -27.470 -28.774 2.294 1.00 34.19 ? 928 HOH A O 1 HETATM 5856 O O . HOH M 5 . ? -21.017 -23.023 29.899 1.00 35.96 ? 929 HOH A O 1 HETATM 5857 O O . HOH M 5 . ? -20.651 0.614 8.938 1.00 45.86 ? 930 HOH A O 1 HETATM 5858 O O . HOH M 5 . ? -19.490 -23.825 23.870 1.00 37.07 ? 931 HOH A O 1 HETATM 5859 O O . HOH M 5 . ? -24.586 -10.608 49.590 1.00 44.04 ? 932 HOH A O 1 HETATM 5860 O O . HOH M 5 . ? -4.172 -3.880 21.397 1.00 36.95 ? 933 HOH A O 1 HETATM 5861 O O . HOH M 5 . ? -2.717 -13.737 0.652 1.00 28.23 ? 934 HOH A O 1 HETATM 5862 O O . HOH M 5 . ? -21.949 -8.350 38.633 1.00 43.17 ? 935 HOH A O 1 HETATM 5863 O O . HOH M 5 . ? -6.803 -17.363 41.454 1.00 33.59 ? 936 HOH A O 1 HETATM 5864 O O . HOH M 5 . ? -19.556 -58.611 -25.461 1.00 38.23 ? 937 HOH A O 1 HETATM 5865 O O . HOH M 5 . ? 3.915 -11.865 38.089 1.00 48.39 ? 938 HOH A O 1 HETATM 5866 O O . HOH M 5 . ? -11.747 -30.456 -15.117 1.00 39.93 ? 939 HOH A O 1 HETATM 5867 O O . HOH M 5 . ? -14.628 -43.921 -0.941 1.00 38.73 ? 940 HOH A O 1 HETATM 5868 O O . HOH M 5 . ? -0.873 10.028 58.032 1.00 45.67 ? 941 HOH A O 1 HETATM 5869 O O . HOH M 5 . ? -21.371 -20.970 -13.505 1.00 48.51 ? 942 HOH A O 1 HETATM 5870 O O . HOH M 5 . ? -22.074 -12.172 41.107 1.00 33.19 ? 943 HOH A O 1 HETATM 5871 O O . HOH M 5 . ? -27.117 -2.400 7.950 1.00 33.48 ? 944 HOH A O 1 HETATM 5872 O O . HOH M 5 . ? -2.747 -9.328 36.408 1.00 30.53 ? 945 HOH A O 1 HETATM 5873 O O . HOH M 5 . ? -13.336 -3.980 25.003 1.00 29.83 ? 946 HOH A O 1 HETATM 5874 O O . HOH M 5 . ? -2.281 -7.876 13.545 1.00 44.56 ? 947 HOH A O 1 HETATM 5875 O O . HOH M 5 . ? -12.115 -43.877 -3.587 1.00 39.89 ? 948 HOH A O 1 HETATM 5876 O O . HOH M 5 . ? -32.739 -6.635 0.845 1.00 35.51 ? 949 HOH A O 1 HETATM 5877 O O . HOH M 5 . ? -9.893 -5.000 8.126 1.00 37.57 ? 950 HOH A O 1 HETATM 5878 O O . HOH M 5 . ? -7.393 -11.631 9.862 1.00 18.03 ? 951 HOH A O 1 HETATM 5879 O O . HOH M 5 . ? -18.710 -11.330 -9.818 1.00 41.55 ? 952 HOH A O 1 HETATM 5880 O O . HOH M 5 . ? -11.534 4.256 58.450 1.00 33.95 ? 953 HOH A O 1 HETATM 5881 O O . HOH M 5 . ? -9.500 -42.305 -8.961 1.00 39.62 ? 954 HOH A O 1 HETATM 5882 O O . HOH M 5 . ? -16.977 -66.733 -18.760 1.00 28.88 ? 955 HOH A O 1 HETATM 5883 O O . HOH M 5 . ? -25.543 -7.372 32.997 1.00 49.01 ? 956 HOH A O 1 HETATM 5884 O O . HOH M 5 . ? -21.728 -38.976 -10.466 1.00 46.24 ? 957 HOH A O 1 HETATM 5885 O O . HOH M 5 . ? 1.108 -16.126 31.519 1.00 43.24 ? 958 HOH A O 1 HETATM 5886 O O . HOH M 5 . ? -7.723 -56.336 -6.180 1.00 42.76 ? 959 HOH A O 1 HETATM 5887 O O . HOH M 5 . ? -12.885 -41.401 -6.819 1.00 31.75 ? 960 HOH A O 1 HETATM 5888 O O . HOH M 5 . ? -7.048 -20.089 34.151 1.00 36.37 ? 961 HOH A O 1 HETATM 5889 O O . HOH M 5 . ? -23.768 -3.784 46.517 1.00 46.95 ? 962 HOH A O 1 HETATM 5890 O O . HOH M 5 . ? -5.070 -0.054 38.084 1.00 43.29 ? 963 HOH A O 1 HETATM 5891 O O . HOH M 5 . ? -10.779 -22.635 21.399 1.00 41.91 ? 964 HOH A O 1 HETATM 5892 O O . HOH M 5 . ? 1.214 -22.810 4.299 1.00 47.66 ? 965 HOH A O 1 HETATM 5893 O O . HOH M 5 . ? -30.973 -3.459 2.911 1.00 38.94 ? 966 HOH A O 1 HETATM 5894 O O . HOH M 5 . ? -12.567 -24.237 19.420 1.00 29.35 ? 967 HOH A O 1 HETATM 5895 O O . HOH M 5 . ? -1.460 -28.317 8.194 1.00 51.29 ? 968 HOH A O 1 HETATM 5896 O O . HOH M 5 . ? -10.442 -11.597 -2.799 1.00 42.89 ? 969 HOH A O 1 HETATM 5897 O O . HOH M 5 . ? -19.603 -5.762 39.921 1.00 34.69 ? 970 HOH A O 1 HETATM 5898 O O . HOH M 5 . ? -18.977 -11.667 0.047 1.00 25.83 ? 971 HOH A O 1 HETATM 5899 O O . HOH M 5 . ? -15.329 -69.596 -19.126 1.00 44.26 ? 972 HOH A O 1 HETATM 5900 O O . HOH M 5 . ? -24.990 -24.903 9.784 1.00 35.63 ? 973 HOH A O 1 HETATM 5901 O O . HOH M 5 . ? -9.542 -23.252 6.732 1.00 26.19 ? 974 HOH A O 1 HETATM 5902 O O . HOH M 5 . ? -15.871 -4.441 23.501 1.00 32.02 ? 975 HOH A O 1 HETATM 5903 O O . HOH M 5 . ? -17.881 -2.076 19.853 1.00 35.27 ? 976 HOH A O 1 HETATM 5904 O O . HOH M 5 . ? -23.044 -60.085 -16.814 1.00 37.96 ? 977 HOH A O 1 HETATM 5905 O O . HOH M 5 . ? -21.147 -7.485 26.126 1.00 39.76 ? 978 HOH A O 1 HETATM 5906 O O . HOH M 5 . ? -5.934 -11.950 23.434 1.00 30.38 ? 979 HOH A O 1 HETATM 5907 O O . HOH M 5 . ? -3.457 -23.547 13.446 1.00 35.51 ? 980 HOH A O 1 HETATM 5908 O O . HOH M 5 . ? -35.799 -10.790 -1.615 1.00 49.38 ? 981 HOH A O 1 HETATM 5909 O O . HOH M 5 . ? -24.630 -0.674 4.797 1.00 41.43 ? 982 HOH A O 1 HETATM 5910 O O . HOH M 5 . ? -27.152 -12.943 20.318 1.00 45.34 ? 983 HOH A O 1 HETATM 5911 O O . HOH M 5 . ? -8.933 -18.608 21.049 1.00 20.92 ? 984 HOH A O 1 HETATM 5912 O O . HOH M 5 . ? -21.362 -31.849 8.774 1.00 25.31 ? 985 HOH A O 1 HETATM 5913 O O . HOH M 5 . ? -12.504 -37.527 -12.389 1.00 47.08 ? 986 HOH A O 1 HETATM 5914 O O . HOH M 5 . ? -19.158 -42.152 -6.661 1.00 28.47 ? 987 HOH A O 1 HETATM 5915 O O . HOH M 5 . ? -18.771 -43.884 -13.513 1.00 35.64 ? 988 HOH A O 1 HETATM 5916 O O . HOH M 5 . ? -3.070 -10.336 29.894 1.00 31.66 ? 989 HOH A O 1 HETATM 5917 O O . HOH M 5 . ? -2.036 -21.599 -4.684 1.00 38.58 ? 990 HOH A O 1 HETATM 5918 O O . HOH M 5 . ? -16.745 -42.203 -7.107 1.00 27.55 ? 991 HOH A O 1 HETATM 5919 O O . HOH M 5 . ? -5.806 -9.636 17.610 1.00 22.74 ? 992 HOH A O 1 HETATM 5920 O O . HOH M 5 . ? -23.119 -63.076 -19.389 1.00 23.06 ? 993 HOH A O 1 HETATM 5921 O O . HOH M 5 . ? -9.807 -35.249 -12.061 1.00 49.45 ? 994 HOH A O 1 HETATM 5922 O O . HOH M 5 . ? -21.203 -40.771 -7.961 1.00 41.99 ? 995 HOH A O 1 HETATM 5923 O O . HOH M 5 . ? -8.926 -16.080 -1.120 1.00 28.69 ? 996 HOH A O 1 HETATM 5924 O O . HOH M 5 . ? 0.679 -62.934 -7.931 1.00 56.15 ? 997 HOH A O 1 HETATM 5925 O O . HOH M 5 . ? -32.815 -20.082 1.872 1.00 44.63 ? 998 HOH A O 1 HETATM 5926 O O . HOH M 5 . ? -20.875 -22.963 37.371 1.00 43.81 ? 999 HOH A O 1 HETATM 5927 O O . HOH M 5 . ? -27.056 -35.041 0.325 1.00 42.66 ? 1000 HOH A O 1 HETATM 5928 O O . HOH M 5 . ? -21.267 -20.468 37.321 1.00 36.35 ? 1001 HOH A O 1 HETATM 5929 O O . HOH M 5 . ? -10.457 -21.695 27.786 1.00 24.33 ? 1002 HOH A O 1 HETATM 5930 O O . HOH M 5 . ? -20.714 -25.115 42.943 1.00 39.89 ? 1003 HOH A O 1 HETATM 5931 O O . HOH M 5 . ? -15.938 -15.456 22.699 1.00 24.26 ? 1004 HOH A O 1 HETATM 5932 O O . HOH M 5 . ? -15.894 -23.222 24.698 1.00 28.39 ? 1005 HOH A O 1 HETATM 5933 O O . HOH M 5 . ? -3.438 -4.480 54.509 1.00 27.93 ? 1006 HOH A O 1 HETATM 5934 O O . HOH M 5 . ? -22.989 1.501 15.534 1.00 47.24 ? 1007 HOH A O 1 HETATM 5935 O O . HOH M 5 . ? -3.121 -10.064 51.183 1.00 38.07 ? 1008 HOH A O 1 HETATM 5936 O O . HOH M 5 . ? -1.695 -13.914 28.420 1.00 24.65 ? 1009 HOH A O 1 HETATM 5937 O O . HOH M 5 . ? -4.249 5.749 57.806 1.00 33.94 ? 1010 HOH A O 1 HETATM 5938 O O . HOH M 5 . ? -25.567 -13.479 40.957 1.00 53.10 ? 1011 HOH A O 1 HETATM 5939 O O . HOH M 5 . ? -27.998 -13.011 17.124 1.00 39.05 ? 1012 HOH A O 1 HETATM 5940 O O . HOH M 5 . ? -11.367 -60.952 -20.123 1.00 40.89 ? 1013 HOH A O 1 HETATM 5941 O O . HOH M 5 . ? -2.182 -18.465 21.344 1.00 37.10 ? 1014 HOH A O 1 HETATM 5942 O O . HOH M 5 . ? -7.805 -14.626 -5.102 1.00 41.28 ? 1015 HOH A O 1 HETATM 5943 O O . HOH M 5 . ? -8.192 -27.139 32.761 1.00 38.19 ? 1016 HOH A O 1 HETATM 5944 O O . HOH M 5 . ? -14.831 -30.985 11.527 1.00 38.26 ? 1017 HOH A O 1 HETATM 5945 O O . HOH M 5 . ? -7.821 -20.757 38.803 1.00 41.77 ? 1018 HOH A O 1 HETATM 5946 O O . HOH M 5 . ? -27.057 -0.855 1.172 1.00 26.64 ? 1019 HOH A O 1 HETATM 5947 O O . HOH M 5 . ? -7.131 -16.804 45.490 1.00 48.49 ? 1020 HOH A O 1 HETATM 5948 O O . HOH M 5 . ? -22.397 -57.226 -22.666 1.00 38.19 ? 1021 HOH A O 1 HETATM 5949 O O . HOH M 5 . ? -5.604 -29.078 -8.646 1.00 40.53 ? 1022 HOH A O 1 HETATM 5950 O O . HOH M 5 . ? -16.063 -4.421 2.669 1.00 41.04 ? 1023 HOH A O 1 HETATM 5951 O O . HOH M 5 . ? -21.920 -3.896 43.009 1.00 36.85 ? 1024 HOH A O 1 HETATM 5952 O O . HOH M 5 . ? -6.879 -21.984 -9.330 1.00 39.71 ? 1025 HOH A O 1 HETATM 5953 O O . HOH M 5 . ? -17.074 -7.265 50.846 1.00 38.54 ? 1026 HOH A O 1 HETATM 5954 O O . HOH M 5 . ? -13.478 0.432 48.797 1.00 20.55 ? 1027 HOH A O 1 HETATM 5955 O O . HOH M 5 . ? -2.703 -29.887 5.705 1.00 51.99 ? 1028 HOH A O 1 HETATM 5956 O O . HOH M 5 . ? 0.362 -14.746 9.796 1.00 48.14 ? 1029 HOH A O 1 HETATM 5957 O O . HOH M 5 . ? -26.341 -30.449 -5.509 1.00 42.09 ? 1030 HOH A O 1 HETATM 5958 O O . HOH M 5 . ? -0.000 -57.313 -15.835 0.50 34.05 ? 1031 HOH A O 1 HETATM 5959 O O . HOH M 5 . ? -0.627 -12.224 4.315 1.00 37.79 ? 1032 HOH A O 1 HETATM 5960 O O . HOH M 5 . ? -27.438 -10.154 17.617 1.00 43.86 ? 1033 HOH A O 1 HETATM 5961 O O . HOH M 5 . ? -29.912 -25.039 5.030 1.00 39.20 ? 1034 HOH A O 1 HETATM 5962 O O . HOH M 5 . ? -9.447 -11.889 -0.302 1.00 44.77 ? 1035 HOH A O 1 HETATM 5963 O O . HOH M 5 . ? 1.629 -11.014 13.470 1.00 41.37 ? 1036 HOH A O 1 HETATM 5964 O O . HOH M 5 . ? -10.388 -13.346 -6.560 1.00 46.74 ? 1037 HOH A O 1 HETATM 5965 O O . HOH M 5 . ? -2.748 -20.249 15.317 1.00 40.66 ? 1038 HOH A O 1 HETATM 5966 O O . HOH M 5 . ? -12.290 -23.399 30.057 1.00 46.67 ? 1039 HOH A O 1 HETATM 5967 O O . HOH M 5 . ? -2.462 -21.858 7.904 1.00 38.07 ? 1040 HOH A O 1 HETATM 5968 O O . HOH M 5 . ? -12.102 -67.934 -9.903 1.00 49.88 ? 1041 HOH A O 1 HETATM 5969 O O . HOH M 5 . ? -28.147 0.388 -3.744 1.00 40.04 ? 1042 HOH A O 1 HETATM 5970 O O . HOH M 5 . ? -16.274 -24.702 19.070 1.00 40.09 ? 1043 HOH A O 1 HETATM 5971 O O . HOH M 5 . ? -17.849 -9.520 51.298 1.00 31.05 ? 1044 HOH A O 1 HETATM 5972 O O . HOH M 5 . ? -19.967 0.089 6.158 1.00 45.19 ? 1045 HOH A O 1 HETATM 5973 O O . HOH M 5 . ? -23.778 -45.179 -0.586 1.00 45.38 ? 1046 HOH A O 1 HETATM 5974 O O . HOH M 5 . ? -9.408 -20.239 46.272 1.00 25.54 ? 1047 HOH A O 1 HETATM 5975 O O . HOH M 5 . ? -21.269 -19.614 42.102 1.00 40.81 ? 1048 HOH A O 1 HETATM 5976 O O . HOH M 5 . ? -17.766 -4.671 25.205 1.00 39.75 ? 1049 HOH A O 1 HETATM 5977 O O . HOH M 5 . ? -22.579 -15.278 -9.854 1.00 36.56 ? 1050 HOH A O 1 HETATM 5978 O O . HOH M 5 . ? -15.517 -39.204 3.687 1.00 43.13 ? 1051 HOH A O 1 HETATM 5979 O O . HOH M 5 . ? -20.778 -5.360 37.512 1.00 55.48 ? 1052 HOH A O 1 HETATM 5980 O O . HOH M 5 . ? -28.385 -66.227 -6.303 1.00 53.85 ? 1053 HOH A O 1 HETATM 5981 O O . HOH M 5 . ? -29.765 -14.924 -3.650 1.00 48.24 ? 1054 HOH A O 1 HETATM 5982 O O . HOH M 5 . ? -23.347 0.000 0.000 0.50 30.05 ? 1055 HOH A O 1 HETATM 5983 O O . HOH M 5 . ? 0.925 -19.729 12.698 1.00 46.48 ? 1056 HOH A O 1 HETATM 5984 O O . HOH M 5 . ? -2.080 -13.180 21.013 1.00 42.86 ? 1057 HOH A O 1 HETATM 5985 O O . HOH M 5 . ? -12.511 -76.081 -16.501 1.00 47.79 ? 1058 HOH A O 1 HETATM 5986 O O . HOH M 5 . ? -23.398 -34.983 2.594 1.00 33.58 ? 1059 HOH A O 1 HETATM 5987 O O . HOH M 5 . ? -11.086 -3.948 22.820 1.00 11.57 ? 1060 HOH A O 1 HETATM 5988 O O . HOH M 5 . ? -9.940 -27.522 9.920 1.00 44.38 ? 1061 HOH A O 1 HETATM 5989 O O . HOH M 5 . ? -15.675 -1.293 53.555 1.00 44.18 ? 1062 HOH A O 1 HETATM 5990 O O . HOH M 5 . ? -24.281 -29.078 -4.711 1.00 30.66 ? 1063 HOH A O 1 HETATM 5991 O O . HOH M 5 . ? -9.478 -0.223 39.722 1.00 37.65 ? 1064 HOH A O 1 HETATM 5992 O O . HOH M 5 . ? -15.557 -1.864 38.101 1.00 47.80 ? 1065 HOH A O 1 HETATM 5993 O O . HOH M 5 . ? -10.230 -24.915 8.882 1.00 36.22 ? 1066 HOH A O 1 HETATM 5994 O O . HOH M 5 . ? -7.009 -54.613 -22.264 1.00 50.97 ? 1067 HOH A O 1 HETATM 5995 O O . HOH M 5 . ? -0.068 -16.159 3.318 1.00 33.01 ? 1068 HOH A O 1 HETATM 5996 O O . HOH M 5 . ? -26.997 -14.789 43.150 1.00 47.51 ? 1069 HOH A O 1 HETATM 5997 O O . HOH M 5 . ? -24.846 -15.593 -9.564 1.00 43.52 ? 1070 HOH A O 1 HETATM 5998 O O . HOH M 5 . ? -7.522 3.452 55.029 1.00 32.15 ? 1071 HOH A O 1 HETATM 5999 O O . HOH M 5 . ? -3.487 -22.129 -6.689 1.00 47.21 ? 1072 HOH A O 1 HETATM 6000 O O . HOH M 5 . ? -13.212 -39.997 -12.065 1.00 55.75 ? 1073 HOH A O 1 HETATM 6001 O O . HOH M 5 . ? -11.452 -40.227 -8.989 1.00 36.35 ? 1074 HOH A O 1 HETATM 6002 O O . HOH M 5 . ? 1.351 -4.426 54.423 1.00 42.38 ? 1075 HOH A O 1 HETATM 6003 O O . HOH M 5 . ? -14.577 -0.009 51.388 1.00 35.21 ? 1076 HOH A O 1 HETATM 6004 O O . HOH M 5 . ? -12.187 -1.843 30.286 1.00 40.85 ? 1077 HOH A O 1 HETATM 6005 O O . HOH M 5 . ? -28.983 -27.747 4.494 1.00 47.74 ? 1078 HOH A O 1 HETATM 6006 O O . HOH M 5 . ? -10.220 -31.295 6.650 1.00 39.18 ? 1079 HOH A O 1 HETATM 6007 O O . HOH M 5 . ? -17.067 -9.146 0.155 1.00 29.59 ? 1080 HOH A O 1 HETATM 6008 O O . HOH M 5 . ? -24.464 -3.957 22.672 1.00 44.85 ? 1081 HOH A O 1 HETATM 6009 O O . HOH M 5 . ? -11.405 -1.209 33.628 1.00 48.27 ? 1082 HOH A O 1 HETATM 6010 O O . HOH M 5 . ? 1.338 -24.353 1.738 1.00 50.61 ? 1083 HOH A O 1 HETATM 6011 O O . HOH M 5 . ? -16.206 -51.726 -20.903 1.00 49.64 ? 1084 HOH A O 1 HETATM 6012 O O . HOH M 5 . ? -18.902 -3.561 21.390 1.00 45.55 ? 1085 HOH A O 1 HETATM 6013 O O . HOH M 5 . ? -27.740 -29.255 8.135 1.00 64.26 ? 1086 HOH A O 1 HETATM 6014 O O . HOH M 5 . ? -9.546 -54.502 -22.709 1.00 57.25 ? 1087 HOH A O 1 HETATM 6015 O O . HOH M 5 . ? -24.143 -7.704 -4.250 1.00 53.51 ? 1088 HOH A O 1 HETATM 6016 O O . HOH M 5 . ? -3.055 -8.666 21.971 1.00 40.73 ? 1089 HOH A O 1 HETATM 6017 O O . HOH M 5 . ? -0.717 -18.529 14.715 1.00 34.99 ? 1090 HOH A O 1 HETATM 6018 O O . HOH M 5 . ? -11.267 -31.515 10.837 1.00 47.57 ? 1091 HOH A O 1 HETATM 6019 O O . HOH M 5 . ? -29.178 -28.524 6.924 1.00 64.28 ? 1092 HOH A O 1 HETATM 6020 O O . HOH M 5 . ? -1.210 -13.655 14.787 1.00 41.01 ? 1093 HOH A O 1 HETATM 6021 O O . HOH M 5 . ? -25.553 -37.028 1.397 1.00 49.82 ? 1094 HOH A O 1 HETATM 6022 O O . HOH M 5 . ? -0.796 -9.474 14.669 1.00 33.12 ? 1095 HOH A O 1 HETATM 6023 O O . HOH M 5 . ? -20.570 -54.700 -25.873 1.00 44.21 ? 1096 HOH A O 1 HETATM 6024 O O . HOH M 5 . ? -9.864 -6.395 0.918 1.00 47.36 ? 1097 HOH A O 1 HETATM 6025 O O . HOH M 5 . ? -1.757 -9.269 27.841 1.00 41.25 ? 1098 HOH A O 1 HETATM 6026 O O . HOH M 5 . ? -17.286 -7.317 2.272 1.00 32.68 ? 1099 HOH A O 1 HETATM 6027 O O . HOH M 5 . ? -12.869 -32.445 9.541 1.00 60.28 ? 1100 HOH A O 1 HETATM 6028 O O . HOH M 5 . ? -23.463 -22.318 31.168 1.00 43.18 ? 1101 HOH A O 1 HETATM 6029 O O . HOH M 5 . ? -11.420 -4.687 1.481 1.00 44.63 ? 1102 HOH A O 1 HETATM 6030 O O . HOH M 5 . ? -19.513 -2.752 26.938 1.00 44.39 ? 1103 HOH A O 1 HETATM 6031 O O . HOH M 5 . ? -23.765 -38.405 4.315 1.00 50.02 ? 1104 HOH A O 1 HETATM 6032 O O . HOH M 5 . ? -10.087 -20.749 -14.134 1.00 59.65 ? 1105 HOH A O 1 HETATM 6033 O O . HOH M 5 . ? -12.602 -22.211 -14.350 1.00 37.57 ? 1106 HOH A O 1 HETATM 6034 O O . HOH M 5 . ? -0.603 -5.899 38.125 1.00 44.51 ? 1107 HOH A O 1 HETATM 6035 O O . HOH M 5 . ? -4.395 -21.311 31.685 1.00 49.70 ? 1108 HOH A O 1 HETATM 6036 O O . HOH M 5 . ? -6.559 -9.736 53.565 1.00 42.97 ? 1109 HOH A O 1 HETATM 6037 O O . HOH M 5 . ? -14.954 -23.713 21.117 1.00 35.32 ? 1110 HOH A O 1 HETATM 6038 O O . HOH M 5 . ? -16.341 -0.157 20.420 1.00 40.87 ? 1111 HOH A O 1 HETATM 6039 O O . HOH M 5 . ? -15.964 -27.165 16.687 1.00 51.77 ? 1112 HOH A O 1 HETATM 6040 O O . HOH M 5 . ? -14.202 -3.460 1.783 1.00 46.95 ? 1113 HOH A O 1 HETATM 6041 O O . HOH M 5 . ? -25.316 -61.094 -12.756 1.00 58.60 ? 1114 HOH A O 1 HETATM 6042 O O . HOH M 5 . ? -7.993 -0.403 36.985 1.00 42.14 ? 1115 HOH A O 1 HETATM 6043 O O . HOH M 5 . ? -21.151 -0.099 1.711 1.00 49.39 ? 1116 HOH A O 1 HETATM 6044 O O . HOH M 5 . ? -24.585 -10.522 40.153 1.00 58.05 ? 1117 HOH A O 1 HETATM 6045 O O . HOH M 5 . ? -4.528 -12.465 21.016 1.00 25.67 ? 1118 HOH A O 1 HETATM 6046 O O . HOH M 5 . ? -9.014 -22.937 22.661 1.00 53.95 ? 1119 HOH A O 1 HETATM 6047 O O . HOH M 5 . ? -22.555 -60.286 -19.691 1.00 53.54 ? 1120 HOH A O 1 HETATM 6048 O O . HOH M 5 . ? -25.563 -60.230 -14.825 1.00 53.11 ? 1121 HOH A O 1 HETATM 6049 O O . HOH M 5 . ? -16.941 -26.067 13.694 1.00 28.85 ? 1122 HOH A O 1 HETATM 6050 O O . HOH M 5 . ? -9.151 2.492 38.870 1.00 37.06 ? 1123 HOH A O 1 HETATM 6051 O O . HOH M 5 . ? -30.015 -1.698 5.020 1.00 50.31 ? 1124 HOH A O 1 HETATM 6052 O O . HOH M 5 . ? 1.024 -18.322 29.951 1.00 37.59 ? 1125 HOH A O 1 HETATM 6053 O O . HOH M 5 . ? -5.157 -9.412 24.255 1.00 35.95 ? 1126 HOH A O 1 HETATM 6054 O O . HOH M 5 . ? -2.632 -20.822 23.293 1.00 49.27 ? 1127 HOH A O 1 HETATM 6055 O O . HOH M 5 . ? -8.603 -14.731 48.690 1.00 41.25 ? 1128 HOH A O 1 HETATM 6056 O O . HOH M 5 . ? -18.572 -1.217 38.325 1.00 53.64 ? 1129 HOH A O 1 HETATM 6057 O O . HOH M 5 . ? -11.437 -23.161 23.903 1.00 41.92 ? 1130 HOH A O 1 HETATM 6058 O O . HOH M 5 . ? -8.751 -29.724 8.178 1.00 56.73 ? 1131 HOH A O 1 HETATM 6059 O O . HOH M 5 . ? -3.957 -10.228 19.616 1.00 40.06 ? 1132 HOH A O 1 HETATM 6060 O O . HOH M 5 . ? -2.194 -16.319 14.251 1.00 32.47 ? 1133 HOH A O 1 HETATM 6061 O O . HOH M 5 . ? -8.392 -17.756 48.249 1.00 53.85 ? 1134 HOH A O 1 HETATM 6062 O O . HOH M 5 . ? -9.681 -31.928 9.043 1.00 47.55 ? 1135 HOH A O 1 HETATM 6063 O O . HOH M 5 . ? -20.949 -52.200 -24.419 1.00 59.13 ? 1136 HOH A O 1 HETATM 6064 O O . HOH M 5 . ? -9.667 -33.499 10.200 1.00 56.74 ? 1137 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 SER 1 307 ? ? ? A . n A 1 2 GLY 2 308 ? ? ? A . n A 1 3 PHE 3 309 ? ? ? A . n A 1 4 THR 4 310 ? ? ? A . n A 1 5 VAL 5 311 311 VAL VAL A . n A 1 6 LYS 6 312 312 LYS LYS A . n A 1 7 PRO 7 313 313 PRO PRO A . n A 1 8 VAL 8 314 314 VAL VAL A . n A 1 9 ALA 9 315 315 ALA ALA A . n A 1 10 THR 10 316 316 THR THR A . n A 1 11 VAL 11 317 317 VAL VAL A . n A 1 12 HIS 12 318 318 HIS HIS A . n A 1 13 ARG 13 319 319 ARG ARG A . n A 1 14 ARG 14 320 320 ARG ARG A . n A 1 15 ILE 15 321 321 ILE ILE A . n A 1 16 PRO 16 322 322 PRO PRO A . n A 1 17 ASP 17 323 323 ASP ASP A . n A 1 18 LEU 18 324 324 LEU LEU A . n A 1 19 PRO 19 325 325 PRO PRO A . n A 1 20 ASP 20 326 326 ASP ASP A . n A 1 21 CYS 21 327 327 CYS CYS A . n A 1 22 ASP 22 328 328 ASP ASP A . n A 1 23 ILE 23 329 329 ILE ILE A . n A 1 24 ASP 24 330 330 ASP ASP A . n A 1 25 LYS 25 331 331 LYS LYS A . n A 1 26 TRP 26 332 332 TRP TRP A . n A 1 27 LEU 27 333 333 LEU LEU A . n A 1 28 ASN 28 334 334 ASN ASN A . n A 1 29 ASN 29 335 335 ASN ASN A . n A 1 30 PHE 30 336 336 PHE PHE A . n A 1 31 ASN 31 337 337 ASN ASN A . n A 1 32 VAL 32 338 338 VAL VAL A . n A 1 33 PRO 33 339 339 PRO PRO A . n A 1 34 SER 34 340 340 SER SER A . n A 1 35 PRO 35 341 341 PRO PRO A . n A 1 36 LEU 36 342 342 LEU LEU A . n A 1 37 ASN 37 343 343 ASN ASN A . n A 1 38 TRP 38 344 344 TRP TRP A . n A 1 39 GLU 39 345 345 GLU GLU A . n A 1 40 ARG 40 346 346 ARG ARG A . n A 1 41 LYS 41 347 347 LYS LYS A . n A 1 42 ILE 42 348 348 ILE ILE A . n A 1 43 PHE 43 349 349 PHE PHE A . n A 1 44 SER 44 350 350 SER SER A . n A 1 45 ASN 45 351 351 ASN ASN A . n A 1 46 CYS 46 352 352 CYS CYS A . n A 1 47 ASN 47 353 353 ASN ASN A . n A 1 48 PHE 48 354 354 PHE PHE A . n A 1 49 ASN 49 355 355 ASN ASN A . n A 1 50 LEU 50 356 356 LEU LEU A . n A 1 51 SER 51 357 357 SER SER A . n A 1 52 THR 52 358 358 THR THR A . n A 1 53 LEU 53 359 359 LEU LEU A . n A 1 54 LEU 54 360 360 LEU LEU A . n A 1 55 ARG 55 361 361 ARG ARG A . n A 1 56 LEU 56 362 362 LEU LEU A . n A 1 57 VAL 57 363 363 VAL VAL A . n A 1 58 HIS 58 364 364 HIS HIS A . n A 1 59 THR 59 365 365 THR THR A . n A 1 60 ASP 60 366 366 ASP ASP A . n A 1 61 SER 61 367 367 SER SER A . n A 1 62 PHE 62 368 368 PHE PHE A . n A 1 63 SER 63 369 369 SER SER A . n A 1 64 CYS 64 370 370 CYS CYS A . n A 1 65 ASN 65 371 371 ASN ASN A . n A 1 66 ASN 66 372 372 ASN ASN A . n A 1 67 PHE 67 373 373 PHE PHE A . n A 1 68 ASP 68 374 374 ASP ASP A . n A 1 69 GLU 69 375 375 GLU GLU A . n A 1 70 SER 70 376 376 SER SER A . n A 1 71 LYS 71 377 377 LYS LYS A . n A 1 72 ILE 72 378 378 ILE ILE A . n A 1 73 TYR 73 379 379 TYR TYR A . n A 1 74 GLY 74 380 380 GLY GLY A . n A 1 75 SER 75 381 381 SER SER A . n A 1 76 CYS 76 382 382 CYS CYS A . n A 1 77 PHE 77 383 383 PHE PHE A . n A 1 78 LYS 78 384 384 LYS LYS A . n A 1 79 SER 79 385 385 SER SER A . n A 1 80 ILE 80 386 386 ILE ILE A . n A 1 81 VAL 81 387 387 VAL VAL A . n A 1 82 LEU 82 388 388 LEU LEU A . n A 1 83 ASP 83 389 389 ASP ASP A . n A 1 84 LYS 84 390 390 LYS LYS A . n A 1 85 PHE 85 391 391 PHE PHE A . n A 1 86 ALA 86 392 392 ALA ALA A . n A 1 87 ILE 87 393 393 ILE ILE A . n A 1 88 PRO 88 394 394 PRO PRO A . n A 1 89 ASN 89 395 395 ASN ASN A . n A 1 90 SER 90 396 396 SER SER A . n A 1 91 ARG 91 397 397 ARG ARG A . n A 1 92 ARG 92 398 398 ARG ARG A . n A 1 93 SER 93 399 399 SER SER A . n A 1 94 ASP 94 400 400 ASP ASP A . n A 1 95 LEU 95 401 401 LEU LEU A . n A 1 96 GLN 96 402 402 GLN GLN A . n A 1 97 LEU 97 403 403 LEU LEU A . n A 1 98 GLY 98 404 404 GLY GLY A . n A 1 99 SER 99 405 405 SER SER A . n A 1 100 SER 100 406 406 SER SER A . n A 1 101 GLY 101 407 407 GLY GLY A . n A 1 102 PHE 102 408 408 PHE PHE A . n A 1 103 LEU 103 409 409 LEU LEU A . n A 1 104 GLN 104 410 410 GLN GLN A . n A 1 105 SER 105 411 411 SER SER A . n A 1 106 SER 106 412 412 SER SER A . n A 1 107 ASN 107 413 413 ASN ASN A . n A 1 108 TYR 108 414 414 TYR TYR A . n A 1 109 LYS 109 415 415 LYS LYS A . n A 1 110 ILE 110 416 416 ILE ILE A . n A 1 111 ASP 111 417 417 ASP ASP A . n A 1 112 THR 112 418 418 THR THR A . n A 1 113 THR 113 419 419 THR THR A . n A 1 114 SER 114 420 420 SER SER A . n A 1 115 SER 115 421 421 SER SER A . n A 1 116 SER 116 422 422 SER SER A . n A 1 117 CYS 117 423 423 CYS CYS A . n A 1 118 GLN 118 424 424 GLN GLN A . n A 1 119 LEU 119 425 425 LEU LEU A . n A 1 120 TYR 120 426 426 TYR TYR A . n A 1 121 TYR 121 427 427 TYR TYR A . n A 1 122 SER 122 428 428 SER SER A . n A 1 123 LEU 123 429 429 LEU LEU A . n A 1 124 PRO 124 430 430 PRO PRO A . n A 1 125 ALA 125 431 431 ALA ALA A . n A 1 126 ILE 126 432 432 ILE ILE A . n A 1 127 ASN 127 433 433 ASN ASN A . n A 1 128 VAL 128 434 434 VAL VAL A . n A 1 129 THR 129 435 435 THR THR A . n A 1 130 ILE 130 436 436 ILE ILE A . n A 1 131 ASN 131 437 437 ASN ASN A . n A 1 132 ASN 132 438 438 ASN ASN A . n A 1 133 TYR 133 439 439 TYR TYR A . n A 1 134 ASN 134 440 440 ASN ASN A . n A 1 135 PRO 135 441 441 PRO PRO A . n A 1 136 SER 136 442 442 SER SER A . n A 1 137 SER 137 443 443 SER SER A . n A 1 138 TRP 138 444 444 TRP TRP A . n A 1 139 ASN 139 445 445 ASN ASN A . n A 1 140 ARG 140 446 446 ARG ARG A . n A 1 141 ARG 141 447 447 ARG ARG A . n A 1 142 TYR 142 448 448 TYR TYR A . n A 1 143 GLY 143 449 449 GLY GLY A . n A 1 144 PHE 144 450 450 PHE PHE A . n A 1 145 ASN 145 451 451 ASN ASN A . n A 1 146 ASN 146 452 452 ASN ASN A . n A 1 147 PHE 147 453 453 PHE PHE A . n A 1 148 ASN 148 454 454 ASN ASN A . n A 1 149 LEU 149 455 455 LEU LEU A . n A 1 150 SER 150 456 456 SER SER A . n A 1 151 SER 151 457 457 SER SER A . n A 1 152 HIS 152 458 458 HIS HIS A . n A 1 153 SER 153 459 459 SER SER A . n A 1 154 VAL 154 460 460 VAL VAL A . n A 1 155 VAL 155 461 461 VAL VAL A . n A 1 156 TYR 156 462 462 TYR TYR A . n A 1 157 SER 157 463 463 SER SER A . n A 1 158 ARG 158 464 464 ARG ARG A . n A 1 159 TYR 159 465 465 TYR TYR A . n A 1 160 CYS 160 466 466 CYS CYS A . n A 1 161 PHE 161 467 467 PHE PHE A . n A 1 162 SER 162 468 468 SER SER A . n A 1 163 VAL 163 469 469 VAL VAL A . n A 1 164 ASN 164 470 470 ASN ASN A . n A 1 165 ASN 165 471 471 ASN ASN A . n A 1 166 THR 166 472 472 THR THR A . n A 1 167 PHE 167 473 473 PHE PHE A . n A 1 168 CYS 168 474 474 CYS CYS A . n A 1 169 PRO 169 475 475 PRO PRO A . n A 1 170 CYS 170 476 476 CYS CYS A . n A 1 171 ALA 171 477 477 ALA ALA A . n A 1 172 LYS 172 478 478 LYS LYS A . n A 1 173 PRO 173 479 479 PRO PRO A . n A 1 174 SER 174 480 480 SER SER A . n A 1 175 PHE 175 481 481 PHE PHE A . n A 1 176 ALA 176 482 482 ALA ALA A . n A 1 177 SER 177 483 483 SER SER A . n A 1 178 SER 178 484 484 SER SER A . n A 1 179 CYS 179 485 485 CYS CYS A . n A 1 180 LYS 180 486 486 LYS LYS A . n A 1 181 SER 181 487 487 SER SER A . n A 1 182 HIS 182 488 488 HIS HIS A . n A 1 183 LYS 183 489 489 LYS LYS A . n A 1 184 PRO 184 490 490 PRO PRO A . n A 1 185 PRO 185 491 491 PRO PRO A . n A 1 186 SER 186 492 492 SER SER A . n A 1 187 ALA 187 493 493 ALA ALA A . n A 1 188 SER 188 494 494 SER SER A . n A 1 189 CYS 189 495 495 CYS CYS A . n A 1 190 PRO 190 496 496 PRO PRO A . n A 1 191 ILE 191 497 497 ILE ILE A . n A 1 192 GLY 192 498 498 GLY GLY A . n A 1 193 THR 193 499 499 THR THR A . n A 1 194 ASN 194 500 500 ASN ASN A . n A 1 195 TYR 195 501 501 TYR TYR A . n A 1 196 ARG 196 502 502 ARG ARG A . n A 1 197 SER 197 503 503 SER SER A . n A 1 198 CYS 198 504 504 CYS CYS A . n A 1 199 GLU 199 505 505 GLU GLU A . n A 1 200 SER 200 506 506 SER SER A . n A 1 201 THR 201 507 507 THR THR A . n A 1 202 THR 202 508 508 THR THR A . n A 1 203 VAL 203 509 509 VAL VAL A . n A 1 204 LEU 204 510 510 LEU LEU A . n A 1 205 ASP 205 511 511 ASP ASP A . n A 1 206 HIS 206 512 512 HIS HIS A . n A 1 207 THR 207 513 513 THR THR A . n A 1 208 ASP 208 514 514 ASP ASP A . n A 1 209 TRP 209 515 515 TRP TRP A . n A 1 210 CYS 210 516 516 CYS CYS A . n A 1 211 ARG 211 517 517 ARG ARG A . n A 1 212 CYS 212 518 518 CYS CYS A . n A 1 213 SER 213 519 519 SER SER A . n A 1 214 CYS 214 520 520 CYS CYS A . n A 1 215 LEU 215 521 521 LEU LEU A . n A 1 216 PRO 216 522 522 PRO PRO A . n A 1 217 ASP 217 523 523 ASP ASP A . n A 1 218 PRO 218 524 524 PRO PRO A . n A 1 219 ILE 219 525 525 ILE ILE A . n A 1 220 THR 220 526 526 THR THR A . n A 1 221 ALA 221 527 527 ALA ALA A . n A 1 222 TYR 222 528 528 TYR TYR A . n A 1 223 ASP 223 529 529 ASP ASP A . n A 1 224 PRO 224 530 530 PRO PRO A . n A 1 225 ARG 225 531 531 ARG ARG A . n A 1 226 SER 226 532 532 SER SER A . n A 1 227 CYS 227 533 533 CYS CYS A . n A 1 228 SER 228 534 534 SER SER A . n A 1 229 GLN 229 535 535 GLN GLN A . n A 1 230 LYS 230 536 536 LYS LYS A . n A 1 231 LYS 231 537 537 LYS LYS A . n A 1 232 SER 232 538 538 SER SER A . n A 1 233 LEU 233 539 539 LEU LEU A . n A 1 234 VAL 234 540 540 VAL VAL A . n A 1 235 GLY 235 541 541 GLY GLY A . n A 1 236 VAL 236 542 542 VAL VAL A . n A 1 237 GLY 237 543 543 GLY GLY A . n A 1 238 GLU 238 544 544 GLU GLU A . n A 1 239 HIS 239 545 545 HIS HIS A . n A 1 240 CYS 240 546 546 CYS CYS A . n A 1 241 ALA 241 547 547 ALA ALA A . n A 1 242 GLY 242 548 548 GLY GLY A . n A 1 243 PHE 243 549 549 PHE PHE A . n A 1 244 GLY 244 550 550 GLY GLY A . n A 1 245 VAL 245 551 551 VAL VAL A . n A 1 246 ASP 246 552 552 ASP ASP A . n A 1 247 GLU 247 553 553 GLU GLU A . n A 1 248 GLU 248 554 554 GLU GLU A . n A 1 249 LYS 249 555 555 LYS LYS A . n A 1 250 CYS 250 556 556 CYS CYS A . n A 1 251 GLY 251 557 557 GLY GLY A . n A 1 252 VAL 252 558 558 VAL VAL A . n A 1 253 LEU 253 559 559 LEU LEU A . n A 1 254 ASP 254 560 560 ASP ASP A . n A 1 255 GLY 255 561 561 GLY GLY A . n A 1 256 SER 256 562 562 SER SER A . n A 1 257 TYR 257 563 563 TYR TYR A . n A 1 258 ASN 258 564 564 ASN ASN A . n A 1 259 VAL 259 565 565 VAL VAL A . n A 1 260 SER 260 566 566 SER SER A . n A 1 261 CYS 261 567 567 CYS CYS A . n A 1 262 LEU 262 568 568 LEU LEU A . n A 1 263 CYS 263 569 569 CYS CYS A . n A 1 264 SER 264 570 570 SER SER A . n A 1 265 THR 265 571 571 THR THR A . n A 1 266 ASP 266 572 572 ASP ASP A . n A 1 267 ALA 267 573 573 ALA ALA A . n A 1 268 PHE 268 574 574 PHE PHE A . n A 1 269 LEU 269 575 575 LEU LEU A . n A 1 270 GLY 270 576 576 GLY GLY A . n A 1 271 TRP 271 577 577 TRP TRP A . n A 1 272 SER 272 578 578 SER SER A . n A 1 273 TYR 273 579 579 TYR TYR A . n A 1 274 ASP 274 580 580 ASP ASP A . n A 1 275 THR 275 581 581 THR THR A . n A 1 276 CYS 276 582 582 CYS CYS A . n A 1 277 VAL 277 583 583 VAL VAL A . n A 1 278 SER 278 584 584 SER SER A . n A 1 279 ASN 279 585 585 ASN ASN A . n A 1 280 ASN 280 586 586 ASN ASN A . n A 1 281 ARG 281 587 587 ARG ARG A . n A 1 282 CYS 282 588 588 CYS CYS A . n A 1 283 ASN 283 589 589 ASN ASN A . n A 1 284 ILE 284 590 590 ILE ILE A . n A 1 285 PHE 285 591 591 PHE PHE A . n A 1 286 SER 286 592 592 SER SER A . n A 1 287 ASN 287 593 593 ASN ASN A . n A 1 288 PHE 288 594 594 PHE PHE A . n A 1 289 ILE 289 595 595 ILE ILE A . n A 1 290 LEU 290 596 596 LEU LEU A . n A 1 291 ASN 291 597 597 ASN ASN A . n A 1 292 GLY 292 598 598 GLY GLY A . n A 1 293 ILE 293 599 599 ILE ILE A . n A 1 294 ASN 294 600 600 ASN ASN A . n A 1 295 SER 295 601 601 SER SER A . n A 1 296 GLY 296 602 602 GLY GLY A . n A 1 297 THR 297 603 603 THR THR A . n A 1 298 THR 298 604 604 THR THR A . n A 1 299 CYS 299 605 605 CYS CYS A . n A 1 300 SER 300 606 606 SER SER A . n A 1 301 ASN 301 607 607 ASN ASN A . n A 1 302 ASP 302 608 608 ASP ASP A . n A 1 303 LEU 303 609 609 LEU LEU A . n A 1 304 LEU 304 610 610 LEU LEU A . n A 1 305 GLN 305 611 611 GLN GLN A . n A 1 306 PRO 306 612 612 PRO PRO A . n A 1 307 ASN 307 613 613 ASN ASN A . n A 1 308 THR 308 614 614 THR THR A . n A 1 309 GLU 309 615 615 GLU GLU A . n A 1 310 VAL 310 616 616 VAL VAL A . n A 1 311 PHE 311 617 617 PHE PHE A . n A 1 312 THR 312 618 618 THR THR A . n A 1 313 ASP 313 619 619 ASP ASP A . n A 1 314 VAL 314 620 620 VAL VAL A . n A 1 315 CYS 315 621 621 CYS CYS A . n A 1 316 VAL 316 622 622 VAL VAL A . n A 1 317 ASP 317 623 623 ASP ASP A . n A 1 318 TYR 318 624 624 TYR TYR A . n A 1 319 ASP 319 625 625 ASP ASP A . n A 1 320 LEU 320 626 626 LEU LEU A . n A 1 321 TYR 321 627 627 TYR TYR A . n A 1 322 GLY 322 628 628 GLY GLY A . n A 1 323 ILE 323 629 629 ILE ILE A . n A 1 324 THR 324 630 630 THR THR A . n A 1 325 GLY 325 631 631 GLY GLY A . n A 1 326 GLN 326 632 632 GLN GLN A . n A 1 327 GLY 327 633 633 GLY GLY A . n A 1 328 ILE 328 634 634 ILE ILE A . n A 1 329 PHE 329 635 635 PHE PHE A . n A 1 330 LYS 330 636 636 LYS LYS A . n A 1 331 GLU 331 637 637 GLU GLU A . n A 1 332 VAL 332 638 638 VAL VAL A . n A 1 333 SER 333 639 639 SER SER A . n A 1 334 ALA 334 640 640 ALA ALA A . n A 1 335 VAL 335 641 641 VAL VAL A . n A 1 336 TYR 336 642 642 TYR TYR A . n A 1 337 TYR 337 643 643 TYR TYR A . n A 1 338 ASN 338 644 644 ASN ASN A . n A 1 339 SER 339 645 645 SER SER A . n A 1 340 TRP 340 646 646 TRP TRP A . n A 1 341 GLN 341 647 647 GLN GLN A . n A 1 342 ASN 342 648 648 ASN ASN A . n A 1 343 LEU 343 649 649 LEU LEU A . n A 1 344 LEU 344 650 650 LEU LEU A . n A 1 345 TYR 345 651 651 TYR TYR A . n A 1 346 ASP 346 652 652 ASP ASP A . n A 1 347 SER 347 653 653 SER SER A . n A 1 348 ASN 348 654 654 ASN ALA A . n A 1 349 GLY 349 655 655 GLY GLY A . n A 1 350 ASN 350 656 656 ASN ASN A . n A 1 351 ILE 351 657 657 ILE ILE A . n A 1 352 ILE 352 658 658 ILE ILE A . n A 1 353 GLY 353 659 659 GLY GLY A . n A 1 354 PHE 354 660 660 PHE PHE A . n A 1 355 LYS 355 661 661 LYS LYS A . n A 1 356 ASP 356 662 662 ASP ASP A . n A 1 357 PHE 357 663 663 PHE PHE A . n A 1 358 VAL 358 664 664 VAL VAL A . n A 1 359 THR 359 665 665 THR THR A . n A 1 360 ASN 360 666 666 ASN ASN A . n A 1 361 LYS 361 667 667 LYS LYS A . n A 1 362 THR 362 668 668 THR THR A . n A 1 363 TYR 363 669 669 TYR TYR A . n A 1 364 ASN 364 670 670 ASN ASN A . n A 1 365 ILE 365 671 671 ILE ILE A . n A 1 366 PHE 366 672 672 PHE PHE A . n A 1 367 PRO 367 673 673 PRO PRO A . n A 1 368 CYS 368 674 674 CYS CYS A . n A 1 369 TYR 369 675 ? ? ? A . n A 1 370 ALA 370 676 ? ? ? A . n A 1 371 GLY 371 677 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 701 5 NAG NAG A . C 2 NAG 1 702 6 NAG NAG A . D 2 NAG 1 703 7 NAG NAG A . E 2 NAG 1 704 8 NAG NAG A . F 3 SUC 1 705 1 SUC SUC A . G 4 MG 1 706 1 MG MG A . H 4 MG 1 707 2 MG MG A . I 4 MG 1 708 3 MG MG A . J 4 MG 1 709 4 MG MG A . K 4 MG 1 710 5 MG MG A . L 4 MG 1 711 6 MG MG A . M 5 HOH 1 801 210 HOH HOH A . M 5 HOH 2 802 307 HOH HOH A . M 5 HOH 3 803 301 HOH HOH A . M 5 HOH 4 804 235 HOH HOH A . M 5 HOH 5 805 162 HOH HOH A . M 5 HOH 6 806 288 HOH HOH A . M 5 HOH 7 807 73 HOH HOH A . M 5 HOH 8 808 34 HOH HOH A . M 5 HOH 9 809 241 HOH HOH A . M 5 HOH 10 810 52 HOH HOH A . M 5 HOH 11 811 324 HOH HOH A . M 5 HOH 12 812 247 HOH HOH A . M 5 HOH 13 813 42 HOH HOH A . M 5 HOH 14 814 132 HOH HOH A . M 5 HOH 15 815 228 HOH HOH A . M 5 HOH 16 816 322 HOH HOH A . M 5 HOH 17 817 211 HOH HOH A . M 5 HOH 18 818 96 HOH HOH A . M 5 HOH 19 819 332 HOH HOH A . M 5 HOH 20 820 186 HOH HOH A . M 5 HOH 21 821 57 HOH HOH A . M 5 HOH 22 822 114 HOH HOH A . M 5 HOH 23 823 29 HOH HOH A . M 5 HOH 24 824 304 HOH HOH A . M 5 HOH 25 825 172 HOH HOH A . M 5 HOH 26 826 284 HOH HOH A . M 5 HOH 27 827 218 HOH HOH A . M 5 HOH 28 828 200 HOH HOH A . M 5 HOH 29 829 294 HOH HOH A . M 5 HOH 30 830 245 HOH HOH A . M 5 HOH 31 831 239 HOH HOH A . M 5 HOH 32 832 27 HOH HOH A . M 5 HOH 33 833 112 HOH HOH A . M 5 HOH 34 834 180 HOH HOH A . M 5 HOH 35 835 104 HOH HOH A . M 5 HOH 36 836 219 HOH HOH A . M 5 HOH 37 837 215 HOH HOH A . M 5 HOH 38 838 76 HOH HOH A . M 5 HOH 39 839 234 HOH HOH A . M 5 HOH 40 840 130 HOH HOH A . M 5 HOH 41 841 6 HOH HOH A . M 5 HOH 42 842 331 HOH HOH A . M 5 HOH 43 843 203 HOH HOH A . M 5 HOH 44 844 158 HOH HOH A . M 5 HOH 45 845 82 HOH HOH A . M 5 HOH 46 846 7 HOH HOH A . M 5 HOH 47 847 199 HOH HOH A . M 5 HOH 48 848 152 HOH HOH A . M 5 HOH 49 849 47 HOH HOH A . M 5 HOH 50 850 43 HOH HOH A . M 5 HOH 51 851 110 HOH HOH A . M 5 HOH 52 852 48 HOH HOH A . M 5 HOH 53 853 217 HOH HOH A . M 5 HOH 54 854 209 HOH HOH A . M 5 HOH 55 855 4 HOH HOH A . M 5 HOH 56 856 5 HOH HOH A . M 5 HOH 57 857 243 HOH HOH A . M 5 HOH 58 858 278 HOH HOH A . M 5 HOH 59 859 10 HOH HOH A . M 5 HOH 60 860 11 HOH HOH A . M 5 HOH 61 861 40 HOH HOH A . M 5 HOH 62 862 53 HOH HOH A . M 5 HOH 63 863 290 HOH HOH A . M 5 HOH 64 864 213 HOH HOH A . M 5 HOH 65 865 70 HOH HOH A . M 5 HOH 66 866 229 HOH HOH A . M 5 HOH 67 867 206 HOH HOH A . M 5 HOH 68 868 115 HOH HOH A . M 5 HOH 69 869 77 HOH HOH A . M 5 HOH 70 870 124 HOH HOH A . M 5 HOH 71 871 140 HOH HOH A . M 5 HOH 72 872 13 HOH HOH A . M 5 HOH 73 873 9 HOH HOH A . M 5 HOH 74 874 116 HOH HOH A . M 5 HOH 75 875 12 HOH HOH A . M 5 HOH 76 876 39 HOH HOH A . M 5 HOH 77 877 236 HOH HOH A . M 5 HOH 78 878 133 HOH HOH A . M 5 HOH 79 879 311 HOH HOH A . M 5 HOH 80 880 97 HOH HOH A . M 5 HOH 81 881 14 HOH HOH A . M 5 HOH 82 882 26 HOH HOH A . M 5 HOH 83 883 85 HOH HOH A . M 5 HOH 84 884 283 HOH HOH A . M 5 HOH 85 885 106 HOH HOH A . M 5 HOH 86 886 194 HOH HOH A . M 5 HOH 87 887 2 HOH HOH A . M 5 HOH 88 888 240 HOH HOH A . M 5 HOH 89 889 22 HOH HOH A . M 5 HOH 90 890 231 HOH HOH A . M 5 HOH 91 891 50 HOH HOH A . M 5 HOH 92 892 68 HOH HOH A . M 5 HOH 93 893 163 HOH HOH A . M 5 HOH 94 894 155 HOH HOH A . M 5 HOH 95 895 281 HOH HOH A . M 5 HOH 96 896 15 HOH HOH A . M 5 HOH 97 897 169 HOH HOH A . M 5 HOH 98 898 24 HOH HOH A . M 5 HOH 99 899 3 HOH HOH A . M 5 HOH 100 900 28 HOH HOH A . M 5 HOH 101 901 126 HOH HOH A . M 5 HOH 102 902 87 HOH HOH A . M 5 HOH 103 903 35 HOH HOH A . M 5 HOH 104 904 92 HOH HOH A . M 5 HOH 105 905 225 HOH HOH A . M 5 HOH 106 906 192 HOH HOH A . M 5 HOH 107 907 83 HOH HOH A . M 5 HOH 108 908 78 HOH HOH A . M 5 HOH 109 909 329 HOH HOH A . M 5 HOH 110 910 32 HOH HOH A . M 5 HOH 111 911 31 HOH HOH A . M 5 HOH 112 912 291 HOH HOH A . M 5 HOH 113 913 166 HOH HOH A . M 5 HOH 114 914 184 HOH HOH A . M 5 HOH 115 915 81 HOH HOH A . M 5 HOH 116 916 66 HOH HOH A . M 5 HOH 117 917 19 HOH HOH A . M 5 HOH 118 918 54 HOH HOH A . M 5 HOH 119 919 143 HOH HOH A . M 5 HOH 120 920 62 HOH HOH A . M 5 HOH 121 921 36 HOH HOH A . M 5 HOH 122 922 131 HOH HOH A . M 5 HOH 123 923 44 HOH HOH A . M 5 HOH 124 924 212 HOH HOH A . M 5 HOH 125 925 296 HOH HOH A . M 5 HOH 126 926 118 HOH HOH A . M 5 HOH 127 927 84 HOH HOH A . M 5 HOH 128 928 113 HOH HOH A . M 5 HOH 129 929 252 HOH HOH A . M 5 HOH 130 930 175 HOH HOH A . M 5 HOH 131 931 270 HOH HOH A . M 5 HOH 132 932 201 HOH HOH A . M 5 HOH 133 933 125 HOH HOH A . M 5 HOH 134 934 74 HOH HOH A . M 5 HOH 135 935 202 HOH HOH A . M 5 HOH 136 936 51 HOH HOH A . M 5 HOH 137 937 286 HOH HOH A . M 5 HOH 138 938 306 HOH HOH A . M 5 HOH 139 939 277 HOH HOH A . M 5 HOH 140 940 105 HOH HOH A . M 5 HOH 141 941 323 HOH HOH A . M 5 HOH 142 942 205 HOH HOH A . M 5 HOH 143 943 33 HOH HOH A . M 5 HOH 144 944 75 HOH HOH A . M 5 HOH 145 945 45 HOH HOH A . M 5 HOH 146 946 69 HOH HOH A . M 5 HOH 147 947 274 HOH HOH A . M 5 HOH 148 948 156 HOH HOH A . M 5 HOH 149 949 67 HOH HOH A . M 5 HOH 150 950 293 HOH HOH A . M 5 HOH 151 951 8 HOH HOH A . M 5 HOH 152 952 250 HOH HOH A . M 5 HOH 153 953 64 HOH HOH A . M 5 HOH 154 954 103 HOH HOH A . M 5 HOH 155 955 46 HOH HOH A . M 5 HOH 156 956 295 HOH HOH A . M 5 HOH 157 957 60 HOH HOH A . M 5 HOH 158 958 142 HOH HOH A . M 5 HOH 159 959 141 HOH HOH A . M 5 HOH 160 960 94 HOH HOH A . M 5 HOH 161 961 237 HOH HOH A . M 5 HOH 162 962 185 HOH HOH A . M 5 HOH 163 963 137 HOH HOH A . M 5 HOH 164 964 263 HOH HOH A . M 5 HOH 165 965 196 HOH HOH A . M 5 HOH 166 966 300 HOH HOH A . M 5 HOH 167 967 88 HOH HOH A . M 5 HOH 168 968 257 HOH HOH A . M 5 HOH 169 969 58 HOH HOH A . M 5 HOH 170 970 179 HOH HOH A . M 5 HOH 171 971 49 HOH HOH A . M 5 HOH 172 972 244 HOH HOH A . M 5 HOH 173 973 95 HOH HOH A . M 5 HOH 174 974 135 HOH HOH A . M 5 HOH 175 975 86 HOH HOH A . M 5 HOH 176 976 91 HOH HOH A . M 5 HOH 177 977 178 HOH HOH A . M 5 HOH 178 978 273 HOH HOH A . M 5 HOH 179 979 37 HOH HOH A . M 5 HOH 180 980 108 HOH HOH A . M 5 HOH 181 981 149 HOH HOH A . M 5 HOH 182 982 253 HOH HOH A . M 5 HOH 183 983 177 HOH HOH A . M 5 HOH 184 984 21 HOH HOH A . M 5 HOH 185 985 207 HOH HOH A . M 5 HOH 186 986 122 HOH HOH A . M 5 HOH 187 987 25 HOH HOH A . M 5 HOH 188 988 119 HOH HOH A . M 5 HOH 189 989 93 HOH HOH A . M 5 HOH 190 990 98 HOH HOH A . M 5 HOH 191 991 71 HOH HOH A . M 5 HOH 192 992 18 HOH HOH A . M 5 HOH 193 993 299 HOH HOH A . M 5 HOH 194 994 305 HOH HOH A . M 5 HOH 195 995 315 HOH HOH A . M 5 HOH 196 996 17 HOH HOH A . M 5 HOH 197 997 224 HOH HOH A . M 5 HOH 198 998 233 HOH HOH A . M 5 HOH 199 999 195 HOH HOH A . M 5 HOH 200 1000 246 HOH HOH A . M 5 HOH 201 1001 100 HOH HOH A . M 5 HOH 202 1002 16 HOH HOH A . M 5 HOH 203 1003 191 HOH HOH A . M 5 HOH 204 1004 56 HOH HOH A . M 5 HOH 205 1005 80 HOH HOH A . M 5 HOH 206 1006 89 HOH HOH A . M 5 HOH 207 1007 227 HOH HOH A . M 5 HOH 208 1008 63 HOH HOH A . M 5 HOH 209 1009 59 HOH HOH A . M 5 HOH 210 1010 109 HOH HOH A . M 5 HOH 211 1011 330 HOH HOH A . M 5 HOH 212 1012 117 HOH HOH A . M 5 HOH 213 1013 90 HOH HOH A . M 5 HOH 214 1014 187 HOH HOH A . M 5 HOH 215 1015 268 HOH HOH A . M 5 HOH 216 1016 99 HOH HOH A . M 5 HOH 217 1017 222 HOH HOH A . M 5 HOH 218 1018 223 HOH HOH A . M 5 HOH 219 1019 23 HOH HOH A . M 5 HOH 220 1020 310 HOH HOH A . M 5 HOH 221 1021 138 HOH HOH A . M 5 HOH 222 1022 198 HOH HOH A . M 5 HOH 223 1023 221 HOH HOH A . M 5 HOH 224 1024 55 HOH HOH A . M 5 HOH 225 1025 190 HOH HOH A . M 5 HOH 226 1026 164 HOH HOH A . M 5 HOH 227 1027 30 HOH HOH A . M 5 HOH 228 1028 333 HOH HOH A . M 5 HOH 229 1029 120 HOH HOH A . M 5 HOH 230 1030 65 HOH HOH A . M 5 HOH 231 1031 208 HOH HOH A . M 5 HOH 232 1032 147 HOH HOH A . M 5 HOH 233 1033 150 HOH HOH A . M 5 HOH 234 1034 193 HOH HOH A . M 5 HOH 235 1035 102 HOH HOH A . M 5 HOH 236 1036 72 HOH HOH A . M 5 HOH 237 1037 319 HOH HOH A . M 5 HOH 238 1038 148 HOH HOH A . M 5 HOH 239 1039 248 HOH HOH A . M 5 HOH 240 1040 173 HOH HOH A . M 5 HOH 241 1041 266 HOH HOH A . M 5 HOH 242 1042 197 HOH HOH A . M 5 HOH 243 1043 242 HOH HOH A . M 5 HOH 244 1044 134 HOH HOH A . M 5 HOH 245 1045 79 HOH HOH A . M 5 HOH 246 1046 259 HOH HOH A . M 5 HOH 247 1047 41 HOH HOH A . M 5 HOH 248 1048 167 HOH HOH A . M 5 HOH 249 1049 214 HOH HOH A . M 5 HOH 250 1050 153 HOH HOH A . M 5 HOH 251 1051 334 HOH HOH A . M 5 HOH 252 1052 316 HOH HOH A . M 5 HOH 253 1053 309 HOH HOH A . M 5 HOH 254 1054 267 HOH HOH A . M 5 HOH 255 1055 38 HOH HOH A . M 5 HOH 256 1056 318 HOH HOH A . M 5 HOH 257 1057 129 HOH HOH A . M 5 HOH 258 1058 272 HOH HOH A . M 5 HOH 259 1059 275 HOH HOH A . M 5 HOH 260 1060 1 HOH HOH A . M 5 HOH 261 1061 271 HOH HOH A . M 5 HOH 262 1062 171 HOH HOH A . M 5 HOH 263 1063 20 HOH HOH A . M 5 HOH 264 1064 320 HOH HOH A . M 5 HOH 265 1065 255 HOH HOH A . M 5 HOH 266 1066 170 HOH HOH A . M 5 HOH 267 1067 151 HOH HOH A . M 5 HOH 268 1068 161 HOH HOH A . M 5 HOH 269 1069 325 HOH HOH A . M 5 HOH 270 1070 174 HOH HOH A . M 5 HOH 271 1071 128 HOH HOH A . M 5 HOH 272 1072 251 HOH HOH A . M 5 HOH 273 1073 303 HOH HOH A . M 5 HOH 274 1074 176 HOH HOH A . M 5 HOH 275 1075 302 HOH HOH A . M 5 HOH 276 1076 123 HOH HOH A . M 5 HOH 277 1077 144 HOH HOH A . M 5 HOH 278 1078 216 HOH HOH A . M 5 HOH 279 1079 287 HOH HOH A . M 5 HOH 280 1080 127 HOH HOH A . M 5 HOH 281 1081 285 HOH HOH A . M 5 HOH 282 1082 321 HOH HOH A . M 5 HOH 283 1083 280 HOH HOH A . M 5 HOH 284 1084 182 HOH HOH A . M 5 HOH 285 1085 189 HOH HOH A . M 5 HOH 286 1086 335 HOH HOH A . M 5 HOH 287 1087 260 HOH HOH A . M 5 HOH 288 1088 314 HOH HOH A . M 5 HOH 289 1089 220 HOH HOH A . M 5 HOH 290 1090 111 HOH HOH A . M 5 HOH 291 1091 261 HOH HOH A . M 5 HOH 292 1092 336 HOH HOH A . M 5 HOH 293 1093 226 HOH HOH A . M 5 HOH 294 1094 282 HOH HOH A . M 5 HOH 295 1095 165 HOH HOH A . M 5 HOH 296 1096 168 HOH HOH A . M 5 HOH 297 1097 317 HOH HOH A . M 5 HOH 298 1098 101 HOH HOH A . M 5 HOH 299 1099 181 HOH HOH A . M 5 HOH 300 1100 279 HOH HOH A . M 5 HOH 301 1101 238 HOH HOH A . M 5 HOH 302 1102 313 HOH HOH A . M 5 HOH 303 1103 188 HOH HOH A . M 5 HOH 304 1104 276 HOH HOH A . M 5 HOH 305 1105 308 HOH HOH A . M 5 HOH 306 1106 139 HOH HOH A . M 5 HOH 307 1107 297 HOH HOH A . M 5 HOH 308 1108 145 HOH HOH A . M 5 HOH 309 1109 258 HOH HOH A . M 5 HOH 310 1110 121 HOH HOH A . M 5 HOH 311 1111 289 HOH HOH A . M 5 HOH 312 1112 230 HOH HOH A . M 5 HOH 313 1113 265 HOH HOH A . M 5 HOH 314 1114 157 HOH HOH A . M 5 HOH 315 1115 298 HOH HOH A . M 5 HOH 316 1116 328 HOH HOH A . M 5 HOH 317 1117 312 HOH HOH A . M 5 HOH 318 1118 61 HOH HOH A . M 5 HOH 319 1119 327 HOH HOH A . M 5 HOH 320 1120 292 HOH HOH A . M 5 HOH 321 1121 146 HOH HOH A . M 5 HOH 322 1122 160 HOH HOH A . M 5 HOH 323 1123 136 HOH HOH A . M 5 HOH 324 1124 232 HOH HOH A . M 5 HOH 325 1125 256 HOH HOH A . M 5 HOH 326 1126 183 HOH HOH A . M 5 HOH 327 1127 204 HOH HOH A . M 5 HOH 328 1128 154 HOH HOH A . M 5 HOH 329 1129 254 HOH HOH A . M 5 HOH 330 1130 264 HOH HOH A . M 5 HOH 331 1131 326 HOH HOH A . M 5 HOH 332 1132 107 HOH HOH A . M 5 HOH 333 1133 159 HOH HOH A . M 5 HOH 334 1134 249 HOH HOH A . M 5 HOH 335 1135 262 HOH HOH A . M 5 HOH 336 1136 337 HOH HOH A . M 5 HOH 337 1137 269 HOH HOH A . # _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1000 ? 1 MORE 3 ? 1 'SSA (A^2)' 18730 ? # _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_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 1031 ? M HOH . 2 1 A HOH 1055 ? M HOH . # 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 O ? A CYS 21 ? A CYS 327 ? 1_555 MG ? K MG . ? A MG 710 ? 1_555 O ? M HOH . ? A HOH 1000 ? 1_555 100.6 ? 2 O1 ? F SUC . ? A SUC 705 ? 1_555 MG ? I MG . ? A MG 708 ? 1_555 O2 ? F SUC . ? A SUC 705 ? 1_555 67.2 ? 3 O1 ? F SUC . ? A SUC 705 ? 1_555 MG ? I MG . ? A MG 708 ? 1_555 "O3'" ? F SUC . ? A SUC 705 ? 1_555 54.1 ? 4 O2 ? F SUC . ? A SUC 705 ? 1_555 MG ? I MG . ? A MG 708 ? 1_555 "O3'" ? F SUC . ? A SUC 705 ? 1_555 120.9 ? 5 O ? M HOH . ? A HOH 872 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 910 ? 1_555 154.3 ? 6 O ? M HOH . ? A HOH 872 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 911 ? 1_555 106.9 ? 7 O ? M HOH . ? A HOH 910 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 911 ? 1_555 73.3 ? 8 O ? M HOH . ? A HOH 872 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 936 ? 1_555 88.0 ? 9 O ? M HOH . ? A HOH 910 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 936 ? 1_555 72.4 ? 10 O ? M HOH . ? A HOH 911 ? 1_555 MG ? J MG . ? A MG 709 ? 1_555 O ? M HOH . ? A HOH 936 ? 1_555 125.2 ? # 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 2017-06-07 2 'Structure model' 1 1 2017-06-14 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group '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 2 'Structure model' struct 2 2 'Structure model' struct_keywords # 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 2 'Structure model' '_struct.title' 2 2 'Structure model' '_struct_keywords.text' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10.1_2155: ???)' 1 ? 'data processing' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 HD22 A ASN 607 ? ? O A HOH 809 ? ? 1.38 2 1 HZ3 A LYS 486 ? ? O A HOH 806 ? ? 1.41 3 1 HD22 A ASN 337 ? ? O A HOH 804 ? ? 1.42 4 1 H A LEU 455 ? ? O A HOH 814 ? ? 1.49 5 1 HG A SER 367 ? ? O A HOH 803 ? ? 1.50 6 1 OG A SER 428 ? ? HH11 A ARG 587 ? ? 1.50 7 1 H A HIS 458 ? ? O A HOH 817 ? ? 1.53 8 1 HG A SER 562 ? ? OD1 A ASN 564 ? A 1.56 9 1 HO6 A NAG 701 ? ? O A HOH 811 ? ? 1.59 10 1 O A HOH 884 ? ? O A HOH 1094 ? ? 1.81 11 1 OD1 A ASN 451 ? A O A HOH 801 ? ? 1.89 12 1 O A HOH 1135 ? ? O A HOH 1137 ? ? 1.95 13 1 OG A SER 562 ? ? OD1 A ASN 564 ? A 1.97 14 1 O A HOH 1086 ? ? O A HOH 1092 ? ? 2.02 15 1 O4 A NAG 702 ? ? O A HOH 802 ? ? 2.02 16 1 O A HOH 863 ? ? O A HOH 1111 ? ? 2.05 17 1 OG A SER 367 ? ? O A HOH 803 ? ? 2.06 18 1 ND2 A ASN 337 ? ? O A HOH 804 ? ? 2.15 19 1 OG1 A THR 614 ? ? O A HOH 805 ? ? 2.15 20 1 O A HOH 884 ? ? O A HOH 1104 ? ? 2.16 21 1 OG A SER 428 ? ? NH1 A ARG 587 ? ? 2.19 22 1 O A HOH 964 ? ? O A HOH 1119 ? ? 2.19 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 1096 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 1104 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 6_444 _pdbx_validate_symm_contact.dist 2.18 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 323 ? ? -117.69 52.81 2 1 ASN A 343 ? ? -114.56 50.33 3 1 ASN A 413 ? ? -134.41 -58.48 4 1 ASN A 451 ? ? -113.67 -74.59 5 1 ASN A 451 ? ? -113.66 -74.67 6 1 LEU A 510 ? ? 57.17 -119.68 7 1 CYS A 520 ? ? 71.84 32.90 8 1 CYS A 520 ? ? 73.02 31.45 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id A _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 1137 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.17 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ASN 654 ? CG ? A ASN 348 CG 2 1 Y 1 A ASN 654 ? OD1 ? A ASN 348 OD1 3 1 Y 1 A ASN 654 ? ND2 ? A ASN 348 ND2 # 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 SER 307 ? A SER 1 2 1 Y 1 A GLY 308 ? A GLY 2 3 1 Y 1 A PHE 309 ? A PHE 3 4 1 Y 1 A THR 310 ? A THR 4 5 1 Y 1 A TYR 675 ? A TYR 369 6 1 Y 1 A ALA 676 ? A ALA 370 7 1 Y 1 A GLY 677 ? A GLY 371 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 SUCROSE SUC 4 'MAGNESIUM ION' MG 5 water HOH #