data_1APU # _entry.id 1APU # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1APU WWPDB D_1000171109 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1APT . unspecified PDB 1APV . unspecified PDB 1APW . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1APU _pdbx_database_status.recvd_initial_deposition_date 1991-12-16 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.SG_entry . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _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 'Sielecki, A.R.' 1 'James, M.N.G.' 2 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides ; Biochemistry 31 3872 ? 1992 BICHAW US 0006-2960 0033 ? ? ? 1 'Crystallographic Analysis of a Pepstatin Analogue Binding to the Aspartyl Proteinase Penicillopepsin at 1.8 Angstroms Resolution' 'Peptides: Structure and Function, Proceedings of the of the Eighth American Peptide Symposium' 1 521 ? 1983 ? ? 0-935940-02-2 817 'Pierce Chemical Company,Rockford,Il' -1 ? 2 'Aspartic Proteinases and Their Catalytic Pathway' 'Biological Macromolecules and Assemblies' 3 414 ? 1987 ? US 0-471-85142-6 0879 'John Wiley and Sons,New York' ? ? 3 'Stereochemical Analysis of Peptide Bond Hydrolysis Catalyzed by the Aspartic Proteinase Penicillopepsin' Biochemistry 24 3701 ? 1985 BICHAW US 0006-2960 0033 ? ? ? 4 'X-Ray Diffraction Studies on Penicillopepsin and its Complexes: The Hydrolytic Mechanism' 'Aspartic Proteinases and Their Inhibitors' ? 163 ? 1985 ? ? 0899250785 0785 'Walter De Gruyter & Co.,Berlin and New York' ? ? 5 ;Effect of Ph on the Activities of Penicillopepsin and Rhizopus Pepsin and a Proposal for the Productive Substrate Binding Mode in Penicillopepsin ; Biochemistry 23 635 ? 1984 BICHAW US 0006-2960 0033 ? ? ? 6 'Structure and Refinement of Penicillopepsin at 1.8 Angstroms Resolution' J.Mol.Biol. 163 299 ? 1983 JMOBAK UK 0022-2836 0070 ? ? ? 7 'Conformational Flexibility in the Active Sites of Aspartyl Proteinases Revealed by a Pepstatin Fragment Binding to Penicillopepsin' Proc.Natl.Acad.Sci.USA 79 6137 ? 1982 PNASA6 US 0027-8424 0040 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'James, M.N.G.' 1 primary 'Sielecki, A.R.' 2 primary 'Moult, J.' 3 1 'James, M.N.G.' 4 1 'Sielecki, A.R.' 5 1 'Hayakawa, K.' 6 1 'Gelb, M.H.' 7 2 'James, M.N.G.' 8 2 'Sielecki, A.R.' 9 3 'James, M.N.G.' 10 3 'Sielecki, A.R.' 11 4 'James, M.N.G.' 12 4 'Sielecki, A.R.' 13 4 'Hofmann, T.' 14 5 'Hofmann, T.' 15 5 'Hodges, R.S.' 16 5 'James, M.N.G.' 17 6 'James, M.N.G.' 18 6 'Sielecki, A.R.' 19 7 'James, M.N.G.' 20 7 'Sielecki, A.' 21 7 'Salituro, F.' 22 7 'Rich, D.H.' 23 7 'Hofmann, T.' 24 # loop_ _citation_editor.citation_id _citation_editor.name _citation_editor.ordinal primary 'Hruby, V.J.' 1 primary 'Rich, D.H.' 2 2 'Jurnak, F.A.' 3 2 'McPherson, A.' 4 4 'Kostka, V.' 5 # _cell.entry_id 1APU _cell.length_a 97.240 _cell.length_b 46.500 _cell.length_c 65.650 _cell.angle_alpha 90.00 _cell.angle_beta 115.34 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 1APU _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'PROTEIN (PENICILLOPEPSIN)' 33468.809 1 3.4.23.20 ? ? ? 2 polymer man 'PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET' 485.657 1 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 4 water nat water 18.015 315 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Peptidase A' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; E ? 2 'polypeptide(L)' no yes '(IVA)VV(32L)' XVVX I ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 ALA n 1 3 SER n 1 4 GLY n 1 5 VAL n 1 6 ALA n 1 7 THR n 1 8 ASN n 1 9 THR n 1 10 PRO n 1 11 THR n 1 12 ALA n 1 13 ASN n 1 14 ASP n 1 15 GLU n 1 16 GLU n 1 17 TYR n 1 18 ILE n 1 19 THR n 1 20 PRO n 1 21 VAL n 1 22 THR n 1 23 ILE n 1 24 GLY n 1 25 GLY n 1 26 THR n 1 27 THR n 1 28 LEU n 1 29 ASN n 1 30 LEU n 1 31 ASN n 1 32 PHE n 1 33 ASP n 1 34 THR n 1 35 GLY n 1 36 SER n 1 37 ALA n 1 38 ASP n 1 39 LEU n 1 40 TRP n 1 41 VAL n 1 42 PHE n 1 43 SER n 1 44 THR n 1 45 GLU n 1 46 LEU n 1 47 PRO n 1 48 ALA n 1 49 SER n 1 50 GLN n 1 51 GLN n 1 52 SER n 1 53 GLY n 1 54 HIS n 1 55 SER n 1 56 VAL n 1 57 TYR n 1 58 ASN n 1 59 PRO n 1 60 SER n 1 61 ALA n 1 62 THR n 1 63 GLY n 1 64 LYS n 1 65 GLU n 1 66 LEU n 1 67 SER n 1 68 GLY n 1 69 TYR n 1 70 THR n 1 71 TRP n 1 72 SER n 1 73 ILE n 1 74 SER n 1 75 TYR n 1 76 GLY n 1 77 ASP n 1 78 GLY n 1 79 SER n 1 80 SER n 1 81 ALA n 1 82 SER n 1 83 GLY n 1 84 ASN n 1 85 VAL n 1 86 PHE n 1 87 THR n 1 88 ASP n 1 89 SER n 1 90 VAL n 1 91 THR n 1 92 VAL n 1 93 GLY n 1 94 GLY n 1 95 VAL n 1 96 THR n 1 97 ALA n 1 98 HIS n 1 99 GLY n 1 100 GLN n 1 101 ALA n 1 102 VAL n 1 103 GLN n 1 104 ALA n 1 105 ALA n 1 106 GLN n 1 107 GLN n 1 108 ILE n 1 109 SER n 1 110 ALA n 1 111 GLN n 1 112 PHE n 1 113 GLN n 1 114 GLN n 1 115 ASP n 1 116 THR n 1 117 ASN n 1 118 ASN n 1 119 ASP n 1 120 GLY n 1 121 LEU n 1 122 LEU n 1 123 GLY n 1 124 LEU n 1 125 ALA n 1 126 PHE n 1 127 SER n 1 128 SER n 1 129 ILE n 1 130 ASN n 1 131 THR n 1 132 VAL n 1 133 GLN n 1 134 PRO n 1 135 GLN n 1 136 SER n 1 137 GLN n 1 138 THR n 1 139 THR n 1 140 PHE n 1 141 PHE n 1 142 ASP n 1 143 THR n 1 144 VAL n 1 145 LYS n 1 146 SER n 1 147 SER n 1 148 LEU n 1 149 ALA n 1 150 GLN n 1 151 PRO n 1 152 LEU n 1 153 PHE n 1 154 ALA n 1 155 VAL n 1 156 ALA n 1 157 LEU n 1 158 LYS n 1 159 HIS n 1 160 GLN n 1 161 GLN n 1 162 PRO n 1 163 GLY n 1 164 VAL n 1 165 TYR n 1 166 ASP n 1 167 PHE n 1 168 GLY n 1 169 PHE n 1 170 ILE n 1 171 ASP n 1 172 SER n 1 173 SER n 1 174 LYS n 1 175 TYR n 1 176 THR n 1 177 GLY n 1 178 SER n 1 179 LEU n 1 180 THR n 1 181 TYR n 1 182 THR n 1 183 GLY n 1 184 VAL n 1 185 ASP n 1 186 ASN n 1 187 SER n 1 188 GLN n 1 189 GLY n 1 190 PHE n 1 191 TRP n 1 192 SER n 1 193 PHE n 1 194 ASN n 1 195 VAL n 1 196 ASP n 1 197 SER n 1 198 TYR n 1 199 THR n 1 200 ALA n 1 201 GLY n 1 202 SER n 1 203 GLN n 1 204 SER n 1 205 GLY n 1 206 ASP n 1 207 GLY n 1 208 PHE n 1 209 SER n 1 210 GLY n 1 211 ILE n 1 212 ALA n 1 213 ASP n 1 214 THR n 1 215 GLY n 1 216 THR n 1 217 THR n 1 218 LEU n 1 219 LEU n 1 220 LEU n 1 221 LEU n 1 222 ASP n 1 223 ASP n 1 224 SER n 1 225 VAL n 1 226 VAL n 1 227 SER n 1 228 GLN n 1 229 TYR n 1 230 TYR n 1 231 SER n 1 232 GLN n 1 233 VAL n 1 234 SER n 1 235 GLY n 1 236 ALA n 1 237 GLN n 1 238 GLN n 1 239 ASP n 1 240 SER n 1 241 ASN n 1 242 ALA n 1 243 GLY n 1 244 GLY n 1 245 TYR n 1 246 VAL n 1 247 PHE n 1 248 ASP n 1 249 CYS n 1 250 SER n 1 251 THR n 1 252 ASN n 1 253 LEU n 1 254 PRO n 1 255 ASP n 1 256 PHE n 1 257 SER n 1 258 VAL n 1 259 SER n 1 260 ILE n 1 261 SER n 1 262 GLY n 1 263 TYR n 1 264 THR n 1 265 ALA n 1 266 THR n 1 267 VAL n 1 268 PRO n 1 269 GLY n 1 270 SER n 1 271 LEU n 1 272 ILE n 1 273 ASN n 1 274 TYR n 1 275 GLY n 1 276 PRO n 1 277 SER n 1 278 GLY n 1 279 ASP n 1 280 GLY n 1 281 SER n 1 282 THR n 1 283 CYS n 1 284 LEU n 1 285 GLY n 1 286 GLY n 1 287 ILE n 1 288 GLN n 1 289 SER n 1 290 ASN n 1 291 SER n 1 292 GLY n 1 293 ILE n 1 294 GLY n 1 295 PHE n 1 296 SER n 1 297 ILE n 1 298 PHE n 1 299 GLY n 1 300 ASP n 1 301 ILE n 1 302 PHE n 1 303 LEU n 1 304 LYS n 1 305 SER n 1 306 GLN n 1 307 TYR n 1 308 VAL n 1 309 VAL n 1 310 PHE n 1 311 ASP n 1 312 SER n 1 313 ASP n 1 314 GLY n 1 315 PRO n 1 316 GLN n 1 317 LEU n 1 318 GLY n 1 319 PHE n 1 320 ALA n 1 321 PRO n 1 322 GLN n 1 323 ALA n 2 1 IVA n 2 2 VAL n 2 3 VAL n 2 4 32L 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 ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _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 'Penicillium janthinellum' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5079 _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 ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _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 ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_db_accession _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 UNP PENP_PENJA 1 P00798 1 ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; ? 2 PDB 1APU 2 1APU ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 1APU E 1 ? 323 ? P00798 1 ? 323 ? 1 323 2 2 1APU I 1 ? 4 ? 1APU 4 ? 1 ? 4 1 # 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 32L 'L-peptide linking' . 'ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate' ? 'C10 H21 N O3' 203.279 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 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 IVA non-polymer . 'ISOVALERIC ACID' ? 'C5 H10 O2' 102.132 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 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.entry_id 1APU _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.98 _exptl_crystal.density_percent_sol 37.74 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.entry_id 1APU _refine.ls_number_reflns_obs 21197 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I 1.0 _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 8.0 _refine.ls_d_res_high 1.8 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.131 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_phase_error ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2400 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 11 _refine_hist.number_atoms_solvent 315 _refine_hist.number_atoms_total 2726 _refine_hist.d_res_high 1.8 _refine_hist.d_res_low 8.0 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.015 ? ? ? 'X-RAY DIFFRACTION' ? p_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_plane_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1APU _struct.title 'Crystallographic analysis of a pepstatin analogue binding to the aspartyl proteinase penicillopepsin at 1.8 angstroms resolution' _struct.pdbx_descriptor ;ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH A TETRAHEDRAL TRANSITION STATE MIMIC INHIBITOR: ISOVALERYL (IVA)-VAL-VAL-STA-O-ET (A PEPSTATIN ANALOGUE) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1APU _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'ACID PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 12 ? GLU A 15 ? ALA E 12 GLU E 15 5 ? 4 HELX_P HELX_P2 2 ASN A 58 ? GLY A 63 ? ASN E 58 GLY E 63 1 ? 6 HELX_P HELX_P3 3 SER A 109 ? ASP A 115 ? SER E 109 ASP E 115 1 ? 7 HELX_P HELX_P4 4 PHE A 126 ? ASN A 130 ? PHE E 126 ASN E 130 5 ? 5 HELX_P HELX_P5 5 THR A 139 ? LYS A 145 ? THR E 139 LYS E 145 1 ? 7 HELX_P HELX_P6 6 SER A 146 ? LEU A 148 ? SER E 146 LEU E 148 5 ? 3 HELX_P HELX_P7 7 ASP A 171 ? TYR A 175 ? ASP E 171 TYR E 175 5 ? 5 HELX_P HELX_P8 8 ASP A 222 ? SER A 231 ? ASP E 222 SER E 231 1 ? 10 HELX_P HELX_P9 9 PRO A 268 ? ILE A 272 ? PRO E 268 ILE E 272 1 ? 5 HELX_P HELX_P10 10 GLY A 299 ? LYS A 304 ? GLY E 299 LYS E 304 1 ? 6 # _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 249 SG ? ? ? 1_555 A CYS 283 SG ? ? E CYS 249 E CYS 283 1_555 ? ? ? ? ? ? ? 2.063 ? covale1 covale ? ? B IVA 1 C ? ? ? 1_555 B VAL 2 N ? ? I IVA 4 I VAL 3 1_555 ? ? ? ? ? ? ? 1.314 ? covale2 covale ? ? B VAL 3 C ? ? ? 1_555 B 32L 4 N ? ? I VAL 2 I 32L 1 1_555 ? ? ? ? ? ? ? 1.321 ? covale3 covale ? ? A SER 3 OG ? ? ? 1_555 C MAN . C1 ? ? E SER 3 I MAN 401 1_555 ? ? ? ? ? ? ? 1.325 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLN 133 A . ? GLN 133 E PRO 134 A ? PRO 134 E 1 4.73 2 GLY 314 A . ? GLY 314 E PRO 315 A ? PRO 315 E 1 -1.98 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 9 ? B ? 13 ? C ? 7 ? D ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel A 8 9 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? parallel B 4 5 ? anti-parallel B 5 6 ? parallel B 6 7 ? anti-parallel B 7 8 ? anti-parallel B 8 9 ? anti-parallel B 9 10 ? anti-parallel B 10 11 ? anti-parallel B 11 12 ? anti-parallel B 12 13 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? parallel C 5 6 ? anti-parallel C 6 7 ? parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LYS A 64 ? SER A 74 ? LYS E 64 SER E 74 A 2 SER A 80 ? VAL A 92 ? SER E 80 VAL E 92 A 3 TYR A 17 ? ILE A 23 ? TYR E 17 ILE E 23 A 4 GLY A 4 ? PRO A 10 ? GLY E 4 PRO E 10 A 5 GLY A 163 ? PHE A 167 ? GLY E 163 PHE E 167 A 6 LEU A 152 ? ALA A 156 ? LEU E 152 ALA E 156 A 7 GLN A 306 ? ASP A 311 ? GLN E 306 ASP E 311 A 8 GLN A 316 ? PRO A 321 ? GLN E 316 PRO E 321 A 9 THR A 180 ? GLY A 183 ? THR E 180 GLY E 183 B 1 LYS A 64 ? SER A 74 ? LYS E 64 SER E 74 B 2 SER A 80 ? VAL A 92 ? SER E 80 VAL E 92 B 3 VAL A 95 ? ILE A 108 ? VAL E 95 ILE E 108 B 4 TRP A 40 ? VAL A 41 ? TRP E 40 VAL E 41 B 5 GLY A 120 ? GLY A 123 ? GLY E 120 GLY E 123 B 6 THR A 26 ? ASP A 33 ? THR E 26 ASP E 33 B 7 TYR A 17 ? ILE A 23 ? TYR E 17 ILE E 23 B 8 GLY A 4 ? PRO A 10 ? GLY E 4 PRO E 10 B 9 GLY A 163 ? PHE A 167 ? GLY E 163 PHE E 167 B 10 LEU A 152 ? ALA A 156 ? LEU E 152 ALA E 156 B 11 GLN A 306 ? ASP A 311 ? GLN E 306 ASP E 311 B 12 GLN A 316 ? PRO A 321 ? GLN E 316 PRO E 321 B 13 THR A 180 ? GLY A 183 ? THR E 180 GLY E 183 C 1 TYR A 263 ? VAL A 267 ? TYR E 263 VAL E 267 C 2 PHE A 256 ? ILE A 260 ? PHE E 256 ILE E 260 C 3 SER A 192 ? ALA A 200 ? SER E 192 ALA E 200 C 4 GLN A 203 ? ALA A 212 ? GLN E 203 ALA E 212 C 5 SER A 296 ? PHE A 298 ? SER E 296 PHE E 298 C 6 LEU A 219 ? LEU A 221 ? LEU E 219 LEU E 221 C 7 ILE A 287 ? SER A 289 ? ILE E 287 SER E 289 D 1 GLN A 237 ? ASP A 239 ? GLN E 237 ASP E 239 D 2 GLY A 244 ? ASP A 248 ? GLY E 244 ASP E 248 D 3 THR A 282 ? GLY A 285 ? THR E 282 GLY E 285 D 4 ASN A 273 ? PRO A 276 ? ASN E 273 PRO E 276 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N LEU A 66 ? N LEU E 66 O VAL A 85 ? O VAL E 85 A 2 3 O THR A 91 ? O THR E 91 N THR A 22 ? N THR E 22 A 3 4 O ILE A 18 ? O ILE E 18 N THR A 9 ? N THR E 9 A 4 5 N GLY A 4 ? N GLY E 4 O PHE A 167 ? O PHE E 167 A 5 6 O ASP A 166 ? O ASP E 166 N ALA A 154 ? N ALA E 154 A 6 7 N PHE A 153 ? N PHE E 153 O PHE A 310 ? O PHE E 310 A 7 8 N TYR A 307 ? N TYR E 307 O ALA A 320 ? O ALA E 320 A 8 9 O PHE A 319 ? O PHE E 319 N THR A 180 ? N THR E 180 B 1 2 N LEU A 66 ? N LEU E 66 O VAL A 85 ? O VAL E 85 B 2 3 N PHE A 86 ? N PHE E 86 O VAL A 102 ? O VAL E 102 B 3 4 O ALA A 105 ? O ALA E 105 N VAL A 41 ? N VAL E 41 B 4 5 N TRP A 40 ? N TRP E 40 O LEU A 121 ? O LEU E 121 B 5 6 O LEU A 122 ? O LEU E 122 N ASP A 33 ? N ASP E 33 B 6 7 O THR A 26 ? O THR E 26 N ILE A 23 ? N ILE E 23 B 7 8 O ILE A 18 ? O ILE E 18 N THR A 9 ? N THR E 9 B 8 9 N GLY A 4 ? N GLY E 4 O PHE A 167 ? O PHE E 167 B 9 10 O ASP A 166 ? O ASP E 166 N ALA A 154 ? N ALA E 154 B 10 11 N PHE A 153 ? N PHE E 153 O PHE A 310 ? O PHE E 310 B 11 12 N TYR A 307 ? N TYR E 307 O ALA A 320 ? O ALA E 320 B 12 13 O PHE A 319 ? O PHE E 319 N THR A 180 ? N THR E 180 C 1 2 O VAL A 267 ? O VAL E 267 N PHE A 256 ? N PHE E 256 C 2 3 O SER A 259 ? O SER E 259 N ASP A 196 ? N ASP E 196 C 3 4 N ALA A 200 ? N ALA E 200 O GLN A 203 ? O GLN E 203 C 4 5 N ILE A 211 ? N ILE E 211 O PHE A 298 ? O PHE E 298 C 5 6 O ILE A 297 ? O ILE E 297 N LEU A 220 ? N LEU E 220 C 6 7 N LEU A 219 ? N LEU E 219 O GLN A 288 ? O GLN E 288 D 1 2 N GLN A 237 ? N GLN E 237 O VAL A 246 ? O VAL E 246 D 2 3 N PHE A 247 ? N PHE E 247 O CYS A 283 ? O CYS E 283 D 3 4 O LEU A 284 ? O LEU E 284 N GLY A 275 ? N GLY E 275 # 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 ? ? ? ? 9 'BINDING SITE FOR MONO-SACCHARIDE MAN I 401 BOUND TO SER E 3' AC2 Software ? ? ? ? 14 'BINDING SITE FOR CHAIN I OF PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET' # 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 9 SER A 3 ? SER E 3 . ? 1_555 ? 2 AC1 9 THR A 9 ? THR E 9 . ? 4_555 ? 3 AC1 9 PRO A 10 ? PRO E 10 . ? 4_555 ? 4 AC1 9 THR A 11 ? THR E 11 . ? 4_555 ? 5 AC1 9 ALA A 12 ? ALA E 12 . ? 4_555 ? 6 AC1 9 GLN A 160 ? GLN E 160 . ? 4_555 ? 7 AC1 9 GLN A 161 ? GLN E 161 . ? 4_555 ? 8 AC1 9 PRO A 162 ? PRO E 162 . ? 4_555 ? 9 AC1 9 HOH D . ? HOH E 672 . ? 1_555 ? 10 AC2 14 ASN A 31 ? ASN E 31 . ? 1_555 ? 11 AC2 14 ASP A 33 ? ASP E 33 . ? 1_555 ? 12 AC2 14 GLY A 35 ? GLY E 35 . ? 1_555 ? 13 AC2 14 TYR A 75 ? TYR E 75 . ? 1_555 ? 14 AC2 14 GLY A 76 ? GLY E 76 . ? 1_555 ? 15 AC2 14 ASP A 77 ? ASP E 77 . ? 1_555 ? 16 AC2 14 PHE A 190 ? PHE E 190 . ? 1_555 ? 17 AC2 14 ASP A 213 ? ASP E 213 . ? 1_555 ? 18 AC2 14 GLY A 215 ? GLY E 215 . ? 1_555 ? 19 AC2 14 THR A 216 ? THR E 216 . ? 1_555 ? 20 AC2 14 THR A 217 ? THR E 217 . ? 1_555 ? 21 AC2 14 HOH D . ? HOH E 690 . ? 1_555 ? 22 AC2 14 HOH E . ? HOH I 101 . ? 1_555 ? 23 AC2 14 HOH E . ? HOH I 104 . ? 1_555 ? # _database_PDB_matrix.entry_id 1APU _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1APU _atom_sites.fract_transf_matrix[1][1] 0.010284 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004870 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021505 _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] 0.016854 _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_sites_footnote.id _atom_sites_footnote.text 1 'RESIDUES PRO E 134 AND PRO E 315 ARE CIS PROLINES.' 2 'THE REGION FROM SER E 277 TO SER E 281 IS POORLY ORDERED.' # loop_ _atom_type.symbol C 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 . ALA A 1 1 ? 37.487 31.611 0.655 1.00 26.16 ? 1 ALA E N 1 ATOM 2 C CA . ALA A 1 1 ? 36.699 31.180 1.851 1.00 27.66 ? 1 ALA E CA 1 ATOM 3 C C . ALA A 1 1 ? 36.092 29.805 1.509 1.00 26.76 ? 1 ALA E C 1 ATOM 4 O O . ALA A 1 1 ? 35.909 29.500 0.310 1.00 29.43 ? 1 ALA E O 1 ATOM 5 C CB . ALA A 1 1 ? 35.693 32.236 2.308 1.00 25.24 ? 1 ALA E CB 1 ATOM 6 N N . ALA A 1 2 ? 35.880 28.964 2.519 1.00 23.94 ? 2 ALA E N 1 ATOM 7 C CA . ALA A 1 2 ? 35.354 27.637 2.154 1.00 20.37 ? 2 ALA E CA 1 ATOM 8 C C . ALA A 1 2 ? 33.894 27.508 2.644 1.00 15.86 ? 2 ALA E C 1 ATOM 9 O O . ALA A 1 2 ? 33.338 28.128 3.542 1.00 15.41 ? 2 ALA E O 1 ATOM 10 C CB . ALA A 1 2 ? 36.273 26.506 2.600 1.00 19.56 ? 2 ALA E CB 1 ATOM 11 N N . SER A 1 3 ? 33.287 26.584 1.885 1.00 13.52 ? 3 SER E N 1 ATOM 12 C CA . SER A 1 3 ? 31.913 26.136 2.130 1.00 11.10 ? 3 SER E CA 1 ATOM 13 C C . SER A 1 3 ? 31.822 24.743 1.526 1.00 10.54 ? 3 SER E C 1 ATOM 14 O O . SER A 1 3 ? 32.714 24.358 0.738 1.00 9.82 ? 3 SER E O 1 ATOM 15 C CB . SER A 1 3 ? 30.956 27.164 1.537 1.00 8.20 ? 3 SER E CB 1 ATOM 16 O OG . SER A 1 3 ? 30.840 26.903 0.143 1.00 11.47 ? 3 SER E OG 1 ATOM 17 N N . GLY A 1 4 ? 30.763 24.009 1.852 1.00 11.05 ? 4 GLY E N 1 ATOM 18 C CA . GLY A 1 4 ? 30.603 22.668 1.245 1.00 10.45 ? 4 GLY E CA 1 ATOM 19 C C . GLY A 1 4 ? 29.238 22.144 1.634 1.00 10.64 ? 4 GLY E C 1 ATOM 20 O O . GLY A 1 4 ? 28.580 22.620 2.550 1.00 11.17 ? 4 GLY E O 1 ATOM 21 N N . VAL A 1 5 ? 28.813 21.160 0.866 1.00 12.69 ? 5 VAL E N 1 ATOM 22 C CA . VAL A 1 5 ? 27.522 20.504 1.094 1.00 11.87 ? 5 VAL E CA 1 ATOM 23 C C . VAL A 1 5 ? 27.794 19.006 1.253 1.00 10.65 ? 5 VAL E C 1 ATOM 24 O O . VAL A 1 5 ? 28.491 18.514 0.366 1.00 12.05 ? 5 VAL E O 1 ATOM 25 C CB . VAL A 1 5 ? 26.548 20.743 -0.060 1.00 15.10 ? 5 VAL E CB 1 ATOM 26 C CG1 . VAL A 1 5 ? 25.304 19.871 0.252 1.00 13.32 ? 5 VAL E CG1 1 ATOM 27 C CG2 . VAL A 1 5 ? 26.181 22.214 -0.258 1.00 16.09 ? 5 VAL E CG2 1 ATOM 28 N N . ALA A 1 6 ? 27.308 18.409 2.305 1.00 9.52 ? 6 ALA E N 1 ATOM 29 C CA . ALA A 1 6 ? 27.549 16.954 2.470 1.00 10.79 ? 6 ALA E CA 1 ATOM 30 C C . ALA A 1 6 ? 26.158 16.388 2.340 1.00 9.79 ? 6 ALA E C 1 ATOM 31 O O . ALA A 1 6 ? 25.315 17.022 2.982 1.00 12.36 ? 6 ALA E O 1 ATOM 32 C CB . ALA A 1 6 ? 28.183 16.726 3.823 1.00 14.81 ? 6 ALA E CB 1 ATOM 33 N N . THR A 1 7 ? 25.969 15.299 1.644 1.00 9.10 ? 7 THR E N 1 ATOM 34 C CA . THR A 1 7 ? 24.558 14.816 1.552 1.00 10.53 ? 7 THR E CA 1 ATOM 35 C C . THR A 1 7 ? 24.422 13.748 2.616 1.00 12.46 ? 7 THR E C 1 ATOM 36 O O . THR A 1 7 ? 25.374 12.939 2.754 1.00 14.52 ? 7 THR E O 1 ATOM 37 C CB . THR A 1 7 ? 24.383 14.224 0.091 1.00 12.70 ? 7 THR E CB 1 ATOM 38 O OG1 . THR A 1 7 ? 24.562 15.346 -0.826 1.00 16.60 ? 7 THR E OG1 1 ATOM 39 C CG2 . THR A 1 7 ? 23.047 13.502 -0.039 1.00 12.91 ? 7 THR E CG2 1 ATOM 40 N N . ASN A 1 8 ? 23.309 13.716 3.282 1.00 11.33 ? 8 ASN E N 1 ATOM 41 C CA . ASN A 1 8 ? 23.030 12.685 4.278 1.00 10.92 ? 8 ASN E CA 1 ATOM 42 C C . ASN A 1 8 ? 21.908 11.792 3.683 1.00 11.65 ? 8 ASN E C 1 ATOM 43 O O . ASN A 1 8 ? 21.108 12.171 2.804 1.00 10.28 ? 8 ASN E O 1 ATOM 44 C CB . ASN A 1 8 ? 22.716 13.344 5.599 1.00 9.18 ? 8 ASN E CB 1 ATOM 45 C CG . ASN A 1 8 ? 21.509 14.274 5.603 1.00 14.08 ? 8 ASN E CG 1 ATOM 46 O OD1 . ASN A 1 8 ? 20.394 13.812 5.354 1.00 13.80 ? 8 ASN E OD1 1 ATOM 47 N ND2 . ASN A 1 8 ? 21.738 15.553 5.935 1.00 7.27 ? 8 ASN E ND2 1 ATOM 48 N N . THR A 1 9 ? 21.837 10.598 4.243 1.00 10.89 ? 9 THR E N 1 ATOM 49 C CA . THR A 1 9 ? 20.796 9.630 3.855 1.00 10.61 ? 9 THR E CA 1 ATOM 50 C C . THR A 1 9 ? 20.291 8.935 5.118 1.00 10.42 ? 9 THR E C 1 ATOM 51 O O . THR A 1 9 ? 21.166 8.461 5.857 1.00 6.82 ? 9 THR E O 1 ATOM 52 C CB . THR A 1 9 ? 21.325 8.474 2.896 1.00 15.11 ? 9 THR E CB 1 ATOM 53 O OG1 . THR A 1 9 ? 22.236 9.106 1.944 1.00 24.83 ? 9 THR E OG1 1 ATOM 54 C CG2 . THR A 1 9 ? 20.189 7.797 2.137 1.00 9.64 ? 9 THR E CG2 1 ATOM 55 N N . PRO A 1 10 ? 18.986 8.876 5.263 1.00 9.53 ? 10 PRO E N 1 ATOM 56 C CA . PRO A 1 10 ? 18.404 8.166 6.408 1.00 11.13 ? 10 PRO E CA 1 ATOM 57 C C . PRO A 1 10 ? 18.571 6.651 6.228 1.00 11.99 ? 10 PRO E C 1 ATOM 58 O O . PRO A 1 10 ? 18.557 6.148 5.084 1.00 10.57 ? 10 PRO E O 1 ATOM 59 C CB . PRO A 1 10 ? 16.915 8.523 6.386 1.00 9.23 ? 10 PRO E CB 1 ATOM 60 C CG . PRO A 1 10 ? 16.643 9.001 4.983 1.00 10.13 ? 10 PRO E CG 1 ATOM 61 C CD . PRO A 1 10 ? 17.953 9.450 4.373 1.00 8.90 ? 10 PRO E CD 1 ATOM 62 N N . THR A 1 11 ? 18.669 5.970 7.342 1.00 11.81 ? 11 THR E N 1 ATOM 63 C CA . THR A 1 11 ? 18.685 4.480 7.298 1.00 13.55 ? 11 THR E CA 1 ATOM 64 C C . THR A 1 11 ? 17.199 4.124 7.342 1.00 13.95 ? 11 THR E C 1 ATOM 65 O O . THR A 1 11 ? 16.310 5.016 7.272 1.00 14.05 ? 11 THR E O 1 ATOM 66 C CB . THR A 1 11 ? 19.562 3.893 8.459 1.00 13.21 ? 11 THR E CB 1 ATOM 67 O OG1 . THR A 1 11 ? 18.790 4.284 9.640 1.00 13.50 ? 11 THR E OG1 1 ATOM 68 C CG2 . THR A 1 11 ? 20.997 4.425 8.460 1.00 16.23 ? 11 THR E CG2 1 ATOM 69 N N . ALA A 1 12 ? 16.904 2.829 7.443 1.00 16.80 ? 12 ALA E N 1 ATOM 70 C CA . ALA A 1 12 ? 15.508 2.336 7.510 1.00 16.95 ? 12 ALA E CA 1 ATOM 71 C C . ALA A 1 12 ? 14.736 3.080 8.618 1.00 15.57 ? 12 ALA E C 1 ATOM 72 O O . ALA A 1 12 ? 15.223 3.212 9.770 1.00 15.56 ? 12 ALA E O 1 ATOM 73 C CB . ALA A 1 12 ? 15.471 0.842 7.792 1.00 21.80 ? 12 ALA E CB 1 ATOM 74 N N . ASN A 1 13 ? 13.552 3.519 8.238 1.00 14.65 ? 13 ASN E N 1 ATOM 75 C CA . ASN A 1 13 ? 12.639 4.255 9.094 1.00 16.70 ? 13 ASN E CA 1 ATOM 76 C C . ASN A 1 13 ? 13.227 5.588 9.607 1.00 14.42 ? 13 ASN E C 1 ATOM 77 O O . ASN A 1 13 ? 12.619 6.067 10.594 1.00 15.23 ? 13 ASN E O 1 ATOM 78 C CB . ASN A 1 13 ? 12.257 3.465 10.358 1.00 22.60 ? 13 ASN E CB 1 ATOM 79 C CG . ASN A 1 13 ? 11.452 2.243 9.926 1.00 28.67 ? 13 ASN E CG 1 ATOM 80 O OD1 . ASN A 1 13 ? 11.799 1.158 10.420 1.00 31.42 ? 13 ASN E OD1 1 ATOM 81 N ND2 . ASN A 1 13 ? 10.498 2.553 9.048 1.00 30.95 ? 13 ASN E ND2 1 ATOM 82 N N . ASP A 1 14 ? 14.289 6.036 8.966 1.00 11.96 ? 14 ASP E N 1 ATOM 83 C CA . ASP A 1 14 ? 14.953 7.272 9.419 1.00 8.97 ? 14 ASP E CA 1 ATOM 84 C C . ASP A 1 14 ? 15.521 7.091 10.826 1.00 9.09 ? 14 ASP E C 1 ATOM 85 O O . ASP A 1 14 ? 15.552 8.101 11.614 1.00 8.89 ? 14 ASP E O 1 ATOM 86 C CB . ASP A 1 14 ? 13.971 8.443 9.389 1.00 12.96 ? 14 ASP E CB 1 ATOM 87 C CG . ASP A 1 14 ? 13.280 8.856 8.115 1.00 13.49 ? 14 ASP E CG 1 ATOM 88 O OD1 . ASP A 1 14 ? 12.269 9.616 8.206 1.00 12.01 ? 14 ASP E OD1 1 ATOM 89 O OD2 . ASP A 1 14 ? 13.743 8.454 7.018 1.00 12.30 ? 14 ASP E OD2 1 ATOM 90 N N . GLU A 1 15 ? 16.036 5.908 11.121 1.00 9.08 ? 15 GLU E N 1 ATOM 91 C CA . GLU A 1 15 ? 16.563 5.686 12.503 1.00 8.08 ? 15 GLU E CA 1 ATOM 92 C C . GLU A 1 15 ? 17.813 6.556 12.745 1.00 9.05 ? 15 GLU E C 1 ATOM 93 O O . GLU A 1 15 ? 17.971 7.080 13.875 1.00 8.86 ? 15 GLU E O 1 ATOM 94 C CB . GLU A 1 15 ? 16.861 4.259 12.778 1.00 11.90 ? 15 GLU E CB 1 ATOM 95 C CG . GLU A 1 15 ? 17.234 3.872 14.230 1.00 21.95 ? 15 GLU E CG 1 ATOM 96 C CD . GLU A 1 15 ? 17.613 2.401 14.073 1.00 29.57 ? 15 GLU E CD 1 ATOM 97 O OE1 . GLU A 1 15 ? 18.627 2.103 13.452 1.00 37.06 ? 15 GLU E OE1 1 ATOM 98 O OE2 . GLU A 1 15 ? 16.706 1.685 14.483 1.00 33.48 ? 15 GLU E OE2 1 ATOM 99 N N . GLU A 1 16 ? 18.620 6.645 11.706 1.00 6.53 ? 16 GLU E N 1 ATOM 100 C CA . GLU A 1 16 ? 19.813 7.517 11.821 1.00 9.13 ? 16 GLU E CA 1 ATOM 101 C C . GLU A 1 16 ? 20.121 8.102 10.458 1.00 6.97 ? 16 GLU E C 1 ATOM 102 O O . GLU A 1 16 ? 19.611 7.599 9.452 1.00 9.08 ? 16 GLU E O 1 ATOM 103 C CB . GLU A 1 16 ? 21.033 6.790 12.361 1.00 11.65 ? 16 GLU E CB 1 ATOM 104 C CG . GLU A 1 16 ? 21.352 5.470 11.672 1.00 21.46 ? 16 GLU E CG 1 ATOM 105 C CD . GLU A 1 16 ? 22.453 4.816 12.505 1.00 27.07 ? 16 GLU E CD 1 ATOM 106 O OE1 . GLU A 1 16 ? 23.591 5.139 12.238 1.00 31.98 ? 16 GLU E OE1 1 ATOM 107 O OE2 . GLU A 1 16 ? 22.087 4.121 13.465 1.00 31.09 ? 16 GLU E OE2 1 ATOM 108 N N . TYR A 1 17 ? 20.969 9.150 10.416 1.00 6.49 ? 17 TYR E N 1 ATOM 109 C CA . TYR A 1 17 ? 21.327 9.775 9.124 1.00 4.89 ? 17 TYR E CA 1 ATOM 110 C C . TYR A 1 17 ? 22.849 9.610 8.943 1.00 8.60 ? 17 TYR E C 1 ATOM 111 O O . TYR A 1 17 ? 23.551 9.999 9.923 1.00 10.11 ? 17 TYR E O 1 ATOM 112 C CB . TYR A 1 17 ? 20.903 11.251 9.071 1.00 5.08 ? 17 TYR E CB 1 ATOM 113 C CG . TYR A 1 17 ? 19.371 11.380 9.017 1.00 5.78 ? 17 TYR E CG 1 ATOM 114 C CD1 . TYR A 1 17 ? 18.545 11.084 10.090 1.00 6.03 ? 17 TYR E CD1 1 ATOM 115 C CD2 . TYR A 1 17 ? 18.771 11.705 7.789 1.00 8.98 ? 17 TYR E CD2 1 ATOM 116 C CE1 . TYR A 1 17 ? 17.151 11.166 9.977 1.00 8.23 ? 17 TYR E CE1 1 ATOM 117 C CE2 . TYR A 1 17 ? 17.394 11.785 7.642 1.00 5.79 ? 17 TYR E CE2 1 ATOM 118 C CZ . TYR A 1 17 ? 16.589 11.530 8.750 1.00 11.48 ? 17 TYR E CZ 1 ATOM 119 O OH . TYR A 1 17 ? 15.222 11.629 8.615 1.00 9.96 ? 17 TYR E OH 1 ATOM 120 N N . ILE A 1 18 ? 23.273 9.111 7.813 1.00 6.87 ? 18 ILE E N 1 ATOM 121 C CA . ILE A 1 18 ? 24.736 8.922 7.670 1.00 8.68 ? 18 ILE E CA 1 ATOM 122 C C . ILE A 1 18 ? 25.182 9.747 6.470 1.00 8.87 ? 18 ILE E C 1 ATOM 123 O O . ILE A 1 18 ? 24.449 9.978 5.481 1.00 7.74 ? 18 ILE E O 1 ATOM 124 C CB . ILE A 1 18 ? 25.236 7.442 7.788 1.00 16.99 ? 18 ILE E CB 1 ATOM 125 C CG1 . ILE A 1 18 ? 25.305 6.794 6.413 1.00 21.54 ? 18 ILE E CG1 1 ATOM 126 C CG2 . ILE A 1 18 ? 24.464 6.570 8.825 1.00 18.10 ? 18 ILE E CG2 1 ATOM 127 C CD1 . ILE A 1 18 ? 23.972 6.990 5.637 1.00 26.18 ? 18 ILE E CD1 1 ATOM 128 N N . THR A 1 19 ? 26.407 10.196 6.640 1.00 7.06 ? 19 THR E N 1 ATOM 129 C CA . THR A 1 19 ? 27.102 11.033 5.657 1.00 6.69 ? 19 THR E CA 1 ATOM 130 C C . THR A 1 19 ? 28.555 10.543 5.512 1.00 8.26 ? 19 THR E C 1 ATOM 131 O O . THR A 1 19 ? 29.156 10.237 6.554 1.00 9.74 ? 19 THR E O 1 ATOM 132 C CB . THR A 1 19 ? 27.146 12.507 6.266 1.00 9.67 ? 19 THR E CB 1 ATOM 133 O OG1 . THR A 1 19 ? 25.769 12.809 6.654 1.00 10.46 ? 19 THR E OG1 1 ATOM 134 C CG2 . THR A 1 19 ? 27.857 13.474 5.332 1.00 10.01 ? 19 THR E CG2 1 ATOM 135 N N . PRO A 1 20 ? 29.053 10.505 4.306 1.00 8.57 ? 20 PRO E N 1 ATOM 136 C CA . PRO A 1 20 ? 30.436 10.079 4.053 1.00 8.97 ? 20 PRO E CA 1 ATOM 137 C C . PRO A 1 20 ? 31.420 11.141 4.520 1.00 7.90 ? 20 PRO E C 1 ATOM 138 O O . PRO A 1 20 ? 31.215 12.352 4.321 1.00 8.65 ? 20 PRO E O 1 ATOM 139 C CB . PRO A 1 20 ? 30.497 9.834 2.532 1.00 7.61 ? 20 PRO E CB 1 ATOM 140 C CG . PRO A 1 20 ? 29.436 10.733 2.007 1.00 9.35 ? 20 PRO E CG 1 ATOM 141 C CD . PRO A 1 20 ? 28.336 10.861 3.066 1.00 9.00 ? 20 PRO E CD 1 ATOM 142 N N . VAL A 1 21 ? 32.510 10.659 5.093 1.00 8.77 ? 21 VAL E N 1 ATOM 143 C CA . VAL A 1 21 ? 33.618 11.488 5.613 1.00 8.41 ? 21 VAL E CA 1 ATOM 144 C C . VAL A 1 21 ? 34.925 10.783 5.167 1.00 7.53 ? 21 VAL E C 1 ATOM 145 O O . VAL A 1 21 ? 34.967 9.584 5.435 1.00 6.15 ? 21 VAL E O 1 ATOM 146 C CB . VAL A 1 21 ? 33.520 11.530 7.168 1.00 8.12 ? 21 VAL E CB 1 ATOM 147 C CG1 . VAL A 1 21 ? 34.678 12.292 7.813 1.00 6.99 ? 21 VAL E CG1 1 ATOM 148 C CG2 . VAL A 1 21 ? 32.153 12.106 7.566 1.00 5.37 ? 21 VAL E CG2 1 ATOM 149 N N . THR A 1 22 ? 35.858 11.521 4.633 1.00 7.32 ? 22 THR E N 1 ATOM 150 C CA . THR A 1 22 ? 37.125 10.904 4.221 1.00 8.45 ? 22 THR E CA 1 ATOM 151 C C . THR A 1 22 ? 38.192 11.261 5.241 1.00 6.97 ? 22 THR E C 1 ATOM 152 O O . THR A 1 22 ? 38.454 12.453 5.471 1.00 7.65 ? 22 THR E O 1 ATOM 153 C CB . THR A 1 22 ? 37.569 11.306 2.778 1.00 11.37 ? 22 THR E CB 1 ATOM 154 O OG1 . THR A 1 22 ? 36.363 10.986 1.958 1.00 11.56 ? 22 THR E OG1 1 ATOM 155 C CG2 . THR A 1 22 ? 38.787 10.513 2.269 1.00 9.96 ? 22 THR E CG2 1 ATOM 156 N N . ILE A 1 23 ? 38.754 10.217 5.828 1.00 6.79 ? 23 ILE E N 1 ATOM 157 C CA . ILE A 1 23 ? 39.823 10.392 6.833 1.00 9.77 ? 23 ILE E CA 1 ATOM 158 C C . ILE A 1 23 ? 41.120 9.764 6.326 1.00 10.74 ? 23 ILE E C 1 ATOM 159 O O . ILE A 1 23 ? 41.072 8.536 6.105 1.00 10.33 ? 23 ILE E O 1 ATOM 160 C CB . ILE A 1 23 ? 39.375 9.753 8.189 1.00 12.28 ? 23 ILE E CB 1 ATOM 161 C CG1 . ILE A 1 23 ? 37.952 10.305 8.497 1.00 11.60 ? 23 ILE E CG1 1 ATOM 162 C CG2 . ILE A 1 23 ? 40.432 10.030 9.275 1.00 10.97 ? 23 ILE E CG2 1 ATOM 163 C CD1 . ILE A 1 23 ? 37.264 9.625 9.689 1.00 15.57 ? 23 ILE E CD1 1 ATOM 164 N N . GLY A 1 24 ? 42.116 10.613 6.168 1.00 11.92 ? 24 GLY E N 1 ATOM 165 C CA . GLY A 1 24 ? 43.420 10.122 5.637 1.00 13.45 ? 24 GLY E CA 1 ATOM 166 C C . GLY A 1 24 ? 43.155 9.271 4.378 1.00 18.07 ? 24 GLY E C 1 ATOM 167 O O . GLY A 1 24 ? 43.794 8.198 4.255 1.00 21.71 ? 24 GLY E O 1 ATOM 168 N N . GLY A 1 25 ? 42.232 9.690 3.506 1.00 15.94 ? 25 GLY E N 1 ATOM 169 C CA . GLY A 1 25 ? 42.004 8.917 2.272 1.00 16.21 ? 25 GLY E CA 1 ATOM 170 C C . GLY A 1 25 ? 40.961 7.820 2.238 1.00 16.70 ? 25 GLY E C 1 ATOM 171 O O . GLY A 1 25 ? 40.560 7.378 1.111 1.00 17.38 ? 25 GLY E O 1 ATOM 172 N N . THR A 1 26 ? 40.528 7.338 3.373 1.00 12.68 ? 26 THR E N 1 ATOM 173 C CA . THR A 1 26 ? 39.494 6.316 3.493 1.00 12.10 ? 26 THR E CA 1 ATOM 174 C C . THR A 1 26 ? 38.142 6.992 3.784 1.00 11.09 ? 26 THR E C 1 ATOM 175 O O . THR A 1 26 ? 38.047 7.730 4.798 1.00 9.31 ? 26 THR E O 1 ATOM 176 C CB . THR A 1 26 ? 39.818 5.318 4.686 1.00 15.55 ? 26 THR E CB 1 ATOM 177 O OG1 . THR A 1 26 ? 41.161 4.826 4.373 1.00 15.30 ? 26 THR E OG1 1 ATOM 178 C CG2 . THR A 1 26 ? 38.793 4.186 4.891 1.00 12.14 ? 26 THR E CG2 1 ATOM 179 N N . THR A 1 27 ? 37.130 6.643 3.012 1.00 9.73 ? 27 THR E N 1 ATOM 180 C CA . THR A 1 27 ? 35.790 7.205 3.283 1.00 7.83 ? 27 THR E CA 1 ATOM 181 C C . THR A 1 27 ? 35.023 6.267 4.215 1.00 8.98 ? 27 THR E C 1 ATOM 182 O O . THR A 1 27 ? 34.902 5.088 3.876 1.00 9.05 ? 27 THR E O 1 ATOM 183 C CB . THR A 1 27 ? 35.005 7.398 1.908 1.00 6.45 ? 27 THR E CB 1 ATOM 184 O OG1 . THR A 1 27 ? 35.808 8.226 1.079 1.00 8.24 ? 27 THR E OG1 1 ATOM 185 C CG2 . THR A 1 27 ? 33.607 8.004 2.193 1.00 4.84 ? 27 THR E CG2 1 ATOM 186 N N . LEU A 1 28 ? 34.484 6.797 5.283 1.00 7.01 ? 28 LEU E N 1 ATOM 187 C CA . LEU A 1 28 ? 33.669 6.124 6.273 1.00 7.43 ? 28 LEU E CA 1 ATOM 188 C C . LEU A 1 28 ? 32.256 6.777 6.247 1.00 7.67 ? 28 LEU E C 1 ATOM 189 O O . LEU A 1 28 ? 32.143 7.962 5.866 1.00 9.83 ? 28 LEU E O 1 ATOM 190 C CB . LEU A 1 28 ? 34.317 6.269 7.635 1.00 8.61 ? 28 LEU E CB 1 ATOM 191 C CG . LEU A 1 28 ? 35.702 5.873 8.027 1.00 16.97 ? 28 LEU E CG 1 ATOM 192 C CD1 . LEU A 1 28 ? 35.747 5.292 9.471 1.00 13.00 ? 28 LEU E CD1 1 ATOM 193 C CD2 . LEU A 1 28 ? 36.243 4.839 7.067 1.00 17.93 ? 28 LEU E CD2 1 ATOM 194 N N . ASN A 1 29 ? 31.249 6.031 6.602 1.00 6.81 ? 29 ASN E N 1 ATOM 195 C CA . ASN A 1 29 ? 29.863 6.528 6.676 1.00 7.79 ? 29 ASN E CA 1 ATOM 196 C C . ASN A 1 29 ? 29.586 6.856 8.139 1.00 6.77 ? 29 ASN E C 1 ATOM 197 O O . ASN A 1 29 ? 29.435 5.941 8.956 1.00 9.26 ? 29 ASN E O 1 ATOM 198 C CB . ASN A 1 29 ? 28.848 5.496 6.140 1.00 9.96 ? 29 ASN E CB 1 ATOM 199 C CG . ASN A 1 29 ? 28.967 5.424 4.608 1.00 11.25 ? 29 ASN E CG 1 ATOM 200 O OD1 . ASN A 1 29 ? 29.412 6.396 3.988 1.00 13.59 ? 29 ASN E OD1 1 ATOM 201 N ND2 . ASN A 1 29 ? 28.497 4.345 4.024 1.00 13.22 ? 29 ASN E ND2 1 ATOM 202 N N . LEU A 1 30 ? 29.544 8.170 8.454 1.00 6.14 ? 30 LEU E N 1 ATOM 203 C CA . LEU A 1 30 ? 29.410 8.525 9.875 1.00 4.82 ? 30 LEU E CA 1 ATOM 204 C C . LEU A 1 30 ? 28.048 9.155 10.200 1.00 4.51 ? 30 LEU E C 1 ATOM 205 O O . LEU A 1 30 ? 27.448 9.716 9.286 1.00 7.29 ? 30 LEU E O 1 ATOM 206 C CB . LEU A 1 30 ? 30.560 9.480 10.273 1.00 7.67 ? 30 LEU E CB 1 ATOM 207 C CG . LEU A 1 30 ? 31.999 9.011 10.159 1.00 7.55 ? 30 LEU E CG 1 ATOM 208 C CD1 . LEU A 1 30 ? 32.923 9.999 10.868 1.00 8.40 ? 30 LEU E CD1 1 ATOM 209 C CD2 . LEU A 1 30 ? 32.291 7.629 10.744 1.00 8.87 ? 30 LEU E CD2 1 ATOM 210 N N . ASN A 1 31 ? 27.736 9.028 11.480 1.00 4.59 ? 31 ASN E N 1 ATOM 211 C CA . ASN A 1 31 ? 26.442 9.685 11.940 1.00 5.22 ? 31 ASN E CA 1 ATOM 212 C C . ASN A 1 31 ? 26.816 11.043 12.506 1.00 7.61 ? 31 ASN E C 1 ATOM 213 O O . ASN A 1 31 ? 27.510 11.076 13.587 1.00 6.22 ? 31 ASN E O 1 ATOM 214 C CB . ASN A 1 31 ? 25.911 8.660 12.938 1.00 10.29 ? 31 ASN E CB 1 ATOM 215 C CG . ASN A 1 31 ? 24.612 8.980 13.634 1.00 14.73 ? 31 ASN E CG 1 ATOM 216 O OD1 . ASN A 1 31 ? 24.041 8.187 14.425 1.00 14.28 ? 31 ASN E OD1 1 ATOM 217 N ND2 . ASN A 1 31 ? 24.078 10.165 13.388 1.00 12.31 ? 31 ASN E ND2 1 ATOM 218 N N . PHE A 1 32 ? 26.352 12.128 11.930 1.00 6.74 ? 32 PHE E N 1 ATOM 219 C CA . PHE A 1 32 ? 26.682 13.490 12.422 1.00 5.89 ? 32 PHE E CA 1 ATOM 220 C C . PHE A 1 32 ? 25.802 13.745 13.642 1.00 7.33 ? 32 PHE E C 1 ATOM 221 O O . PHE A 1 32 ? 24.551 13.651 13.511 1.00 6.66 ? 32 PHE E O 1 ATOM 222 C CB . PHE A 1 32 ? 26.430 14.546 11.349 1.00 7.27 ? 32 PHE E CB 1 ATOM 223 C CG . PHE A 1 32 ? 27.455 14.581 10.262 1.00 8.27 ? 32 PHE E CG 1 ATOM 224 C CD1 . PHE A 1 32 ? 28.279 13.474 10.047 1.00 9.97 ? 32 PHE E CD1 1 ATOM 225 C CD2 . PHE A 1 32 ? 27.613 15.749 9.489 1.00 7.68 ? 32 PHE E CD2 1 ATOM 226 C CE1 . PHE A 1 32 ? 29.234 13.482 9.043 1.00 11.05 ? 32 PHE E CE1 1 ATOM 227 C CE2 . PHE A 1 32 ? 28.581 15.768 8.470 1.00 11.39 ? 32 PHE E CE2 1 ATOM 228 C CZ . PHE A 1 32 ? 29.424 14.638 8.281 1.00 9.23 ? 32 PHE E CZ 1 ATOM 229 N N . ASP A 1 33 ? 26.401 14.086 14.758 1.00 3.55 ? 33 ASP E N 1 ATOM 230 C CA . ASP A 1 33 ? 25.681 14.213 16.018 1.00 3.74 ? 33 ASP E CA 1 ATOM 231 C C . ASP A 1 33 ? 25.883 15.566 16.694 1.00 6.15 ? 33 ASP E C 1 ATOM 232 O O . ASP A 1 33 ? 26.941 15.755 17.339 1.00 5.65 ? 33 ASP E O 1 ATOM 233 C CB . ASP A 1 33 ? 26.237 13.018 16.833 1.00 4.47 ? 33 ASP E CB 1 ATOM 234 C CG . ASP A 1 33 ? 25.567 12.950 18.177 1.00 9.53 ? 33 ASP E CG 1 ATOM 235 O OD1 . ASP A 1 33 ? 26.174 12.439 19.116 1.00 12.65 ? 33 ASP E OD1 1 ATOM 236 O OD2 . ASP A 1 33 ? 24.466 13.477 18.418 1.00 9.44 ? 33 ASP E OD2 1 ATOM 237 N N . THR A 1 34 ? 24.853 16.429 16.595 1.00 4.57 ? 34 THR E N 1 ATOM 238 C CA . THR A 1 34 ? 24.986 17.740 17.256 1.00 5.33 ? 34 THR E CA 1 ATOM 239 C C . THR A 1 34 ? 24.823 17.574 18.771 1.00 5.35 ? 34 THR E C 1 ATOM 240 O O . THR A 1 34 ? 25.001 18.654 19.395 1.00 5.86 ? 34 THR E O 1 ATOM 241 C CB . THR A 1 34 ? 24.007 18.815 16.635 1.00 3.77 ? 34 THR E CB 1 ATOM 242 O OG1 . THR A 1 34 ? 22.671 18.277 16.888 1.00 4.50 ? 34 THR E OG1 1 ATOM 243 C CG2 . THR A 1 34 ? 24.227 19.005 15.142 1.00 4.63 ? 34 THR E CG2 1 ATOM 244 N N . GLY A 1 35 ? 24.610 16.373 19.276 1.00 4.87 ? 35 GLY E N 1 ATOM 245 C CA . GLY A 1 35 ? 24.523 16.280 20.747 1.00 6.22 ? 35 GLY E CA 1 ATOM 246 C C . GLY A 1 35 ? 25.823 15.862 21.383 1.00 8.01 ? 35 GLY E C 1 ATOM 247 O O . GLY A 1 35 ? 25.799 15.657 22.641 1.00 11.35 ? 35 GLY E O 1 ATOM 248 N N . SER A 1 36 ? 26.889 15.628 20.641 1.00 5.64 ? 36 SER E N 1 ATOM 249 C CA . SER A 1 36 ? 28.186 15.221 21.287 1.00 6.13 ? 36 SER E CA 1 ATOM 250 C C . SER A 1 36 ? 29.306 15.886 20.524 1.00 6.21 ? 36 SER E C 1 ATOM 251 O O . SER A 1 36 ? 29.136 16.420 19.388 1.00 5.70 ? 36 SER E O 1 ATOM 252 C CB . SER A 1 36 ? 28.330 13.698 21.404 1.00 6.47 ? 36 SER E CB 1 ATOM 253 O OG . SER A 1 36 ? 28.629 13.186 20.074 1.00 9.56 ? 36 SER E OG 1 ATOM 254 N N . ALA A 1 37 ? 30.513 15.867 21.130 1.00 4.17 ? 37 ALA E N 1 ATOM 255 C CA . ALA A 1 37 ? 31.647 16.577 20.538 1.00 4.88 ? 37 ALA E CA 1 ATOM 256 C C . ALA A 1 37 ? 32.867 15.705 20.260 1.00 6.91 ? 37 ALA E C 1 ATOM 257 O O . ALA A 1 37 ? 33.967 16.272 20.207 1.00 7.05 ? 37 ALA E O 1 ATOM 258 C CB . ALA A 1 37 ? 32.003 17.759 21.472 1.00 4.76 ? 37 ALA E CB 1 ATOM 259 N N . ASP A 1 38 ? 32.622 14.433 20.053 1.00 6.08 ? 38 ASP E N 1 ATOM 260 C CA . ASP A 1 38 ? 33.692 13.483 19.740 1.00 7.37 ? 38 ASP E CA 1 ATOM 261 C C . ASP A 1 38 ? 33.545 12.971 18.289 1.00 7.54 ? 38 ASP E C 1 ATOM 262 O O . ASP A 1 38 ? 32.442 12.575 17.877 1.00 8.61 ? 38 ASP E O 1 ATOM 263 C CB . ASP A 1 38 ? 33.693 12.284 20.716 1.00 7.65 ? 38 ASP E CB 1 ATOM 264 C CG . ASP A 1 38 ? 34.219 12.658 22.087 1.00 12.89 ? 38 ASP E CG 1 ATOM 265 O OD1 . ASP A 1 38 ? 35.197 12.086 22.633 1.00 11.56 ? 38 ASP E OD1 1 ATOM 266 O OD2 . ASP A 1 38 ? 33.576 13.617 22.637 1.00 14.04 ? 38 ASP E OD2 1 ATOM 267 N N . LEU A 1 39 ? 34.694 12.945 17.620 1.00 6.56 ? 39 LEU E N 1 ATOM 268 C CA . LEU A 1 39 ? 34.752 12.338 16.261 1.00 6.22 ? 39 LEU E CA 1 ATOM 269 C C . LEU A 1 39 ? 35.416 10.987 16.484 1.00 6.55 ? 39 LEU E C 1 ATOM 270 O O . LEU A 1 39 ? 36.656 10.967 16.628 1.00 8.27 ? 39 LEU E O 1 ATOM 271 C CB . LEU A 1 39 ? 35.522 13.256 15.300 1.00 6.24 ? 39 LEU E CB 1 ATOM 272 C CG . LEU A 1 39 ? 35.349 12.988 13.805 1.00 9.52 ? 39 LEU E CG 1 ATOM 273 C CD1 . LEU A 1 39 ? 36.248 13.850 12.924 1.00 9.98 ? 39 LEU E CD1 1 ATOM 274 C CD2 . LEU A 1 39 ? 35.664 11.539 13.503 1.00 11.39 ? 39 LEU E CD2 1 ATOM 275 N N . TRP A 1 40 ? 34.660 9.889 16.552 1.00 6.44 ? 40 TRP E N 1 ATOM 276 C CA . TRP A 1 40 ? 35.277 8.576 16.776 1.00 5.61 ? 40 TRP E CA 1 ATOM 277 C C . TRP A 1 40 ? 34.843 7.643 15.646 1.00 7.85 ? 40 TRP E C 1 ATOM 278 O O . TRP A 1 40 ? 33.727 7.767 15.074 1.00 6.69 ? 40 TRP E O 1 ATOM 279 C CB . TRP A 1 40 ? 34.919 8.040 18.149 1.00 2.49 ? 40 TRP E CB 1 ATOM 280 C CG . TRP A 1 40 ? 33.525 7.535 18.356 1.00 4.97 ? 40 TRP E CG 1 ATOM 281 C CD1 . TRP A 1 40 ? 32.491 8.265 18.908 1.00 6.10 ? 40 TRP E CD1 1 ATOM 282 C CD2 . TRP A 1 40 ? 32.987 6.223 18.063 1.00 4.61 ? 40 TRP E CD2 1 ATOM 283 N NE1 . TRP A 1 40 ? 31.362 7.448 19.005 1.00 6.89 ? 40 TRP E NE1 1 ATOM 284 C CE2 . TRP A 1 40 ? 31.623 6.254 18.420 1.00 9.81 ? 40 TRP E CE2 1 ATOM 285 C CE3 . TRP A 1 40 ? 33.537 5.094 17.495 1.00 6.21 ? 40 TRP E CE3 1 ATOM 286 C CZ2 . TRP A 1 40 ? 30.814 5.135 18.288 1.00 10.39 ? 40 TRP E CZ2 1 ATOM 287 C CZ3 . TRP A 1 40 ? 32.708 3.980 17.324 1.00 10.78 ? 40 TRP E CZ3 1 ATOM 288 C CH2 . TRP A 1 40 ? 31.395 3.990 17.733 1.00 10.35 ? 40 TRP E CH2 1 ATOM 289 N N . VAL A 1 41 ? 35.790 6.740 15.344 1.00 6.63 ? 41 VAL E N 1 ATOM 290 C CA . VAL A 1 41 ? 35.541 5.810 14.235 1.00 5.28 ? 41 VAL E CA 1 ATOM 291 C C . VAL A 1 41 ? 35.953 4.377 14.601 1.00 7.20 ? 41 VAL E C 1 ATOM 292 O O . VAL A 1 41 ? 36.822 4.197 15.480 1.00 6.78 ? 41 VAL E O 1 ATOM 293 C CB . VAL A 1 41 ? 36.370 6.286 13.022 1.00 9.56 ? 41 VAL E CB 1 ATOM 294 C CG1 . VAL A 1 41 ? 35.935 7.657 12.516 1.00 10.62 ? 41 VAL E CG1 1 ATOM 295 C CG2 . VAL A 1 41 ? 37.857 6.295 13.343 1.00 7.14 ? 41 VAL E CG2 1 ATOM 296 N N . PHE A 1 42 ? 35.288 3.468 13.875 1.00 6.23 ? 42 PHE E N 1 ATOM 297 C CA . PHE A 1 42 ? 35.634 2.044 13.930 1.00 6.86 ? 42 PHE E CA 1 ATOM 298 C C . PHE A 1 42 ? 37.070 2.006 13.400 1.00 5.57 ? 42 PHE E C 1 ATOM 299 O O . PHE A 1 42 ? 37.344 2.754 12.452 1.00 5.65 ? 42 PHE E O 1 ATOM 300 C CB . PHE A 1 42 ? 34.735 1.227 13.005 1.00 5.49 ? 42 PHE E CB 1 ATOM 301 C CG . PHE A 1 42 ? 33.476 0.803 13.713 1.00 12.22 ? 42 PHE E CG 1 ATOM 302 C CD1 . PHE A 1 42 ? 32.539 1.765 14.134 1.00 11.59 ? 42 PHE E CD1 1 ATOM 303 C CD2 . PHE A 1 42 ? 33.246 -0.570 13.936 1.00 10.08 ? 42 PHE E CD2 1 ATOM 304 C CE1 . PHE A 1 42 ? 31.365 1.362 14.766 1.00 10.27 ? 42 PHE E CE1 1 ATOM 305 C CE2 . PHE A 1 42 ? 32.046 -0.978 14.530 1.00 11.27 ? 42 PHE E CE2 1 ATOM 306 C CZ . PHE A 1 42 ? 31.129 0.003 14.961 1.00 10.32 ? 42 PHE E CZ 1 ATOM 307 N N . SER A 1 43 ? 37.951 1.187 13.958 1.00 5.44 ? 43 SER E N 1 ATOM 308 C CA . SER A 1 43 ? 39.355 1.205 13.541 1.00 6.40 ? 43 SER E CA 1 ATOM 309 C C . SER A 1 43 ? 39.905 -0.235 13.503 1.00 8.17 ? 43 SER E C 1 ATOM 310 O O . SER A 1 43 ? 39.229 -1.153 14.000 1.00 8.90 ? 43 SER E O 1 ATOM 311 C CB . SER A 1 43 ? 40.219 2.036 14.527 1.00 5.89 ? 43 SER E CB 1 ATOM 312 O OG . SER A 1 43 ? 40.486 1.300 15.721 1.00 6.10 ? 43 SER E OG 1 ATOM 313 N N . THR A 1 44 ? 41.138 -0.283 12.986 1.00 7.43 ? 44 THR E N 1 ATOM 314 C CA . THR A 1 44 ? 41.793 -1.602 12.915 1.00 8.48 ? 44 THR E CA 1 ATOM 315 C C . THR A 1 44 ? 42.241 -2.020 14.304 1.00 10.03 ? 44 THR E C 1 ATOM 316 O O . THR A 1 44 ? 42.768 -3.162 14.410 1.00 9.46 ? 44 THR E O 1 ATOM 317 C CB . THR A 1 44 ? 42.963 -1.498 11.865 1.00 11.39 ? 44 THR E CB 1 ATOM 318 O OG1 . THR A 1 44 ? 43.802 -0.433 12.379 1.00 9.97 ? 44 THR E OG1 1 ATOM 319 C CG2 . THR A 1 44 ? 42.534 -1.236 10.413 1.00 12.44 ? 44 THR E CG2 1 ATOM 320 N N . GLU A 1 45 ? 42.057 -1.174 15.339 1.00 6.38 ? 45 GLU E N 1 ATOM 321 C CA . GLU A 1 45 ? 42.453 -1.609 16.683 1.00 9.03 ? 45 GLU E CA 1 ATOM 322 C C . GLU A 1 45 ? 41.380 -2.432 17.347 1.00 9.98 ? 45 GLU E C 1 ATOM 323 O O . GLU A 1 45 ? 41.593 -2.926 18.476 1.00 11.58 ? 45 GLU E O 1 ATOM 324 C CB . GLU A 1 45 ? 42.798 -0.483 17.682 1.00 9.02 ? 45 GLU E CB 1 ATOM 325 C CG . GLU A 1 45 ? 43.753 0.499 16.992 1.00 9.67 ? 45 GLU E CG 1 ATOM 326 C CD . GLU A 1 45 ? 44.082 1.735 17.777 1.00 11.01 ? 45 GLU E CD 1 ATOM 327 O OE1 . GLU A 1 45 ? 45.226 2.129 17.896 1.00 14.87 ? 45 GLU E OE1 1 ATOM 328 O OE2 . GLU A 1 45 ? 43.122 2.332 18.232 1.00 12.41 ? 45 GLU E OE2 1 ATOM 329 N N . LEU A 1 46 ? 40.223 -2.542 16.708 1.00 9.77 ? 46 LEU E N 1 ATOM 330 C CA . LEU A 1 46 ? 39.144 -3.377 17.269 1.00 9.76 ? 46 LEU E CA 1 ATOM 331 C C . LEU A 1 46 ? 39.419 -4.841 16.840 1.00 11.27 ? 46 LEU E C 1 ATOM 332 O O . LEU A 1 46 ? 40.096 -5.065 15.819 1.00 11.18 ? 46 LEU E O 1 ATOM 333 C CB . LEU A 1 46 ? 37.800 -2.984 16.639 1.00 8.19 ? 46 LEU E CB 1 ATOM 334 C CG . LEU A 1 46 ? 37.206 -1.642 17.032 1.00 9.48 ? 46 LEU E CG 1 ATOM 335 C CD1 . LEU A 1 46 ? 36.027 -1.266 16.152 1.00 11.43 ? 46 LEU E CD1 1 ATOM 336 C CD2 . LEU A 1 46 ? 36.662 -1.670 18.449 1.00 10.34 ? 46 LEU E CD2 1 ATOM 337 N N . PRO A 1 47 ? 38.825 -5.754 17.601 1.00 14.05 ? 47 PRO E N 1 ATOM 338 C CA . PRO A 1 47 ? 38.900 -7.194 17.291 1.00 16.76 ? 47 PRO E CA 1 ATOM 339 C C . PRO A 1 47 ? 38.413 -7.364 15.880 1.00 17.21 ? 47 PRO E C 1 ATOM 340 O O . PRO A 1 47 ? 37.430 -6.685 15.569 1.00 17.76 ? 47 PRO E O 1 ATOM 341 C CB . PRO A 1 47 ? 37.897 -7.811 18.281 1.00 17.15 ? 47 PRO E CB 1 ATOM 342 C CG . PRO A 1 47 ? 38.061 -6.892 19.481 1.00 17.87 ? 47 PRO E CG 1 ATOM 343 C CD . PRO A 1 47 ? 38.010 -5.515 18.794 1.00 14.93 ? 47 PRO E CD 1 ATOM 344 N N . ALA A 1 48 ? 39.057 -8.135 15.043 1.00 19.95 ? 48 ALA E N 1 ATOM 345 C CA . ALA A 1 48 ? 38.675 -8.341 13.634 1.00 21.11 ? 48 ALA E CA 1 ATOM 346 C C . ALA A 1 48 ? 37.190 -8.601 13.374 1.00 20.46 ? 48 ALA E C 1 ATOM 347 O O . ALA A 1 48 ? 36.617 -8.213 12.344 1.00 20.74 ? 48 ALA E O 1 ATOM 348 C CB . ALA A 1 48 ? 39.488 -9.524 13.096 1.00 20.13 ? 48 ALA E CB 1 ATOM 349 N N . SER A 1 49 ? 36.576 -9.299 14.280 1.00 21.07 ? 49 SER E N 1 ATOM 350 C CA . SER A 1 49 ? 35.188 -9.726 14.298 1.00 23.29 ? 49 SER E CA 1 ATOM 351 C C . SER A 1 49 ? 34.218 -8.550 14.501 1.00 24.65 ? 49 SER E C 1 ATOM 352 O O . SER A 1 49 ? 33.024 -8.698 14.179 1.00 24.00 ? 49 SER E O 1 ATOM 353 C CB . SER A 1 49 ? 34.940 -10.751 15.410 1.00 25.23 ? 49 SER E CB 1 ATOM 354 O OG . SER A 1 49 ? 34.956 -10.199 16.724 1.00 29.25 ? 49 SER E OG 1 ATOM 355 N N . GLN A 1 50 ? 34.733 -7.475 15.084 1.00 21.91 ? 50 GLN E N 1 ATOM 356 C CA . GLN A 1 50 ? 33.888 -6.293 15.352 1.00 20.53 ? 50 GLN E CA 1 ATOM 357 C C . GLN A 1 50 ? 34.053 -5.335 14.200 1.00 21.30 ? 50 GLN E C 1 ATOM 358 O O . GLN A 1 50 ? 33.280 -4.382 14.125 1.00 21.78 ? 50 GLN E O 1 ATOM 359 C CB . GLN A 1 50 ? 34.241 -5.623 16.687 1.00 19.93 ? 50 GLN E CB 1 ATOM 360 C CG . GLN A 1 50 ? 33.998 -6.535 17.846 1.00 22.67 ? 50 GLN E CG 1 ATOM 361 C CD . GLN A 1 50 ? 34.192 -5.894 19.185 1.00 28.13 ? 50 GLN E CD 1 ATOM 362 O OE1 . GLN A 1 50 ? 34.034 -6.573 20.217 1.00 33.15 ? 50 GLN E OE1 1 ATOM 363 N NE2 . GLN A 1 50 ? 34.564 -4.632 19.229 1.00 24.19 ? 50 GLN E NE2 1 ATOM 364 N N . GLN A 1 51 ? 35.118 -5.564 13.427 1.00 20.59 ? 51 GLN E N 1 ATOM 365 C CA . GLN A 1 51 ? 35.395 -4.717 12.253 1.00 21.30 ? 51 GLN E CA 1 ATOM 366 C C . GLN A 1 51 ? 34.449 -5.075 11.097 1.00 22.17 ? 51 GLN E C 1 ATOM 367 O O . GLN A 1 51 ? 34.286 -4.338 10.114 1.00 22.67 ? 51 GLN E O 1 ATOM 368 C CB . GLN A 1 51 ? 36.840 -4.771 11.741 1.00 18.79 ? 51 GLN E CB 1 ATOM 369 C CG . GLN A 1 51 ? 37.789 -4.383 12.878 1.00 16.10 ? 51 GLN E CG 1 ATOM 370 C CD . GLN A 1 51 ? 39.215 -4.559 12.374 1.00 17.24 ? 51 GLN E CD 1 ATOM 371 O OE1 . GLN A 1 51 ? 39.508 -4.467 11.186 1.00 19.57 ? 51 GLN E OE1 1 ATOM 372 N NE2 . GLN A 1 51 ? 40.038 -4.841 13.366 1.00 19.20 ? 51 GLN E NE2 1 ATOM 373 N N . SER A 1 52 ? 33.811 -6.204 11.260 1.00 24.57 ? 52 SER E N 1 ATOM 374 C CA . SER A 1 52 ? 32.895 -6.818 10.318 1.00 26.12 ? 52 SER E CA 1 ATOM 375 C C . SER A 1 52 ? 31.662 -6.005 9.949 1.00 21.83 ? 52 SER E C 1 ATOM 376 O O . SER A 1 52 ? 30.851 -5.760 10.804 1.00 24.65 ? 52 SER E O 1 ATOM 377 C CB . SER A 1 52 ? 32.397 -8.213 10.777 1.00 28.83 ? 52 SER E CB 1 ATOM 378 O OG . SER A 1 52 ? 33.275 -9.134 10.123 1.00 39.72 ? 52 SER E OG 1 ATOM 379 N N . GLY A 1 53 ? 31.622 -5.737 8.658 1.00 24.16 ? 53 GLY E N 1 ATOM 380 C CA . GLY A 1 53 ? 30.466 -5.006 8.081 1.00 24.01 ? 53 GLY E CA 1 ATOM 381 C C . GLY A 1 53 ? 30.588 -3.486 8.197 1.00 23.78 ? 53 GLY E C 1 ATOM 382 O O . GLY A 1 53 ? 29.545 -2.814 8.079 1.00 23.14 ? 53 GLY E O 1 ATOM 383 N N . HIS A 1 54 ? 31.824 -3.036 8.360 1.00 20.60 ? 54 HIS E N 1 ATOM 384 C CA . HIS A 1 54 ? 32.123 -1.610 8.517 1.00 17.63 ? 54 HIS E CA 1 ATOM 385 C C . HIS A 1 54 ? 33.316 -1.246 7.680 1.00 17.76 ? 54 HIS E C 1 ATOM 386 O O . HIS A 1 54 ? 34.091 -2.156 7.326 1.00 18.59 ? 54 HIS E O 1 ATOM 387 C CB . HIS A 1 54 ? 32.540 -1.243 10.004 1.00 13.23 ? 54 HIS E CB 1 ATOM 388 C CG . HIS A 1 54 ? 31.407 -1.428 10.949 1.00 12.21 ? 54 HIS E CG 1 ATOM 389 N ND1 . HIS A 1 54 ? 30.431 -0.464 11.207 1.00 10.52 ? 54 HIS E ND1 1 ATOM 390 C CD2 . HIS A 1 54 ? 31.017 -2.516 11.670 1.00 13.65 ? 54 HIS E CD2 1 ATOM 391 C CE1 . HIS A 1 54 ? 29.560 -0.922 12.066 1.00 9.80 ? 54 HIS E CE1 1 ATOM 392 N NE2 . HIS A 1 54 ? 29.874 -2.161 12.348 1.00 13.22 ? 54 HIS E NE2 1 ATOM 393 N N . SER A 1 55 ? 33.459 0.019 7.389 1.00 15.45 ? 55 SER E N 1 ATOM 394 C CA . SER A 1 55 ? 34.641 0.604 6.714 1.00 15.57 ? 55 SER E CA 1 ATOM 395 C C . SER A 1 55 ? 35.445 1.029 7.969 1.00 15.06 ? 55 SER E C 1 ATOM 396 O O . SER A 1 55 ? 34.801 1.573 8.889 1.00 13.59 ? 55 SER E O 1 ATOM 397 C CB . SER A 1 55 ? 34.428 1.711 5.720 1.00 14.47 ? 55 SER E CB 1 ATOM 398 O OG . SER A 1 55 ? 33.648 1.227 4.588 1.00 18.32 ? 55 SER E OG 1 ATOM 399 N N . VAL A 1 56 ? 36.737 0.684 8.010 1.00 13.06 ? 56 VAL E N 1 ATOM 400 C CA . VAL A 1 56 ? 37.471 1.011 9.246 1.00 11.21 ? 56 VAL E CA 1 ATOM 401 C C . VAL A 1 56 ? 38.649 1.911 8.945 1.00 11.80 ? 56 VAL E C 1 ATOM 402 O O . VAL A 1 56 ? 39.236 1.858 7.843 1.00 13.70 ? 56 VAL E O 1 ATOM 403 C CB . VAL A 1 56 ? 37.825 -0.247 10.051 1.00 14.96 ? 56 VAL E CB 1 ATOM 404 C CG1 . VAL A 1 56 ? 36.601 -1.067 10.441 1.00 15.29 ? 56 VAL E CG1 1 ATOM 405 C CG2 . VAL A 1 56 ? 38.908 -1.047 9.361 1.00 14.94 ? 56 VAL E CG2 1 ATOM 406 N N . TYR A 1 57 ? 38.995 2.684 9.948 1.00 9.73 ? 57 TYR E N 1 ATOM 407 C CA . TYR A 1 57 ? 40.177 3.555 9.803 1.00 10.02 ? 57 TYR E CA 1 ATOM 408 C C . TYR A 1 57 ? 41.395 2.741 10.281 1.00 11.61 ? 57 TYR E C 1 ATOM 409 O O . TYR A 1 57 ? 41.360 2.094 11.351 1.00 12.19 ? 57 TYR E O 1 ATOM 410 C CB . TYR A 1 57 ? 39.947 4.778 10.666 1.00 9.76 ? 57 TYR E CB 1 ATOM 411 C CG . TYR A 1 57 ? 41.117 5.739 10.823 1.00 12.86 ? 57 TYR E CG 1 ATOM 412 C CD1 . TYR A 1 57 ? 41.574 6.024 12.139 1.00 9.32 ? 57 TYR E CD1 1 ATOM 413 C CD2 . TYR A 1 57 ? 41.698 6.398 9.737 1.00 10.91 ? 57 TYR E CD2 1 ATOM 414 C CE1 . TYR A 1 57 ? 42.576 6.956 12.360 1.00 9.87 ? 57 TYR E CE1 1 ATOM 415 C CE2 . TYR A 1 57 ? 42.720 7.326 9.950 1.00 10.09 ? 57 TYR E CE2 1 ATOM 416 C CZ . TYR A 1 57 ? 43.150 7.584 11.265 1.00 11.07 ? 57 TYR E CZ 1 ATOM 417 O OH . TYR A 1 57 ? 44.180 8.456 11.478 1.00 15.67 ? 57 TYR E OH 1 ATOM 418 N N . ASN A 1 58 ? 42.466 2.928 9.515 1.00 11.83 ? 58 ASN E N 1 ATOM 419 C CA . ASN A 1 58 ? 43.768 2.306 9.915 1.00 14.42 ? 58 ASN E CA 1 ATOM 420 C C . ASN A 1 58 ? 44.694 3.488 10.242 1.00 12.46 ? 58 ASN E C 1 ATOM 421 O O . ASN A 1 58 ? 45.233 4.154 9.343 1.00 12.55 ? 58 ASN E O 1 ATOM 422 C CB . ASN A 1 58 ? 44.204 1.310 8.840 1.00 16.60 ? 58 ASN E CB 1 ATOM 423 C CG . ASN A 1 58 ? 45.619 0.828 9.166 1.00 21.61 ? 58 ASN E CG 1 ATOM 424 O OD1 . ASN A 1 58 ? 46.100 1.068 10.291 1.00 21.32 ? 58 ASN E OD1 1 ATOM 425 N ND2 . ASN A 1 58 ? 46.223 0.160 8.186 1.00 25.21 ? 58 ASN E ND2 1 ATOM 426 N N . PRO A 1 59 ? 44.852 3.741 11.541 1.00 12.63 ? 59 PRO E N 1 ATOM 427 C CA . PRO A 1 59 ? 45.608 4.896 12.032 1.00 16.10 ? 59 PRO E CA 1 ATOM 428 C C . PRO A 1 59 ? 47.067 4.912 11.621 1.00 19.81 ? 59 PRO E C 1 ATOM 429 O O . PRO A 1 59 ? 47.669 5.974 11.436 1.00 21.12 ? 59 PRO E O 1 ATOM 430 C CB . PRO A 1 59 ? 45.477 4.820 13.545 1.00 14.54 ? 59 PRO E CB 1 ATOM 431 C CG . PRO A 1 59 ? 44.355 3.885 13.851 1.00 17.28 ? 59 PRO E CG 1 ATOM 432 C CD . PRO A 1 59 ? 44.157 3.012 12.616 1.00 14.83 ? 59 PRO E CD 1 ATOM 433 N N . SER A 1 60 ? 47.620 3.722 11.476 1.00 22.82 ? 60 SER E N 1 ATOM 434 C CA . SER A 1 60 ? 49.034 3.512 11.136 1.00 27.11 ? 60 SER E CA 1 ATOM 435 C C . SER A 1 60 ? 49.396 4.052 9.772 1.00 28.07 ? 60 SER E C 1 ATOM 436 O O . SER A 1 60 ? 50.517 4.583 9.616 1.00 30.73 ? 60 SER E O 1 ATOM 437 C CB . SER A 1 60 ? 49.384 2.004 11.198 1.00 29.56 ? 60 SER E CB 1 ATOM 438 O OG . SER A 1 60 ? 49.462 1.827 12.630 1.00 38.03 ? 60 SER E OG 1 ATOM 439 N N . ALA A 1 61 ? 48.426 3.926 8.876 1.00 25.24 ? 61 ALA E N 1 ATOM 440 C CA . ALA A 1 61 ? 48.635 4.392 7.512 1.00 22.78 ? 61 ALA E CA 1 ATOM 441 C C . ALA A 1 61 ? 48.944 5.873 7.406 1.00 23.35 ? 61 ALA E C 1 ATOM 442 O O . ALA A 1 61 ? 49.934 6.257 6.750 1.00 24.01 ? 61 ALA E O 1 ATOM 443 C CB . ALA A 1 61 ? 47.383 4.004 6.734 1.00 23.53 ? 61 ALA E CB 1 ATOM 444 N N . THR A 1 62 ? 48.111 6.727 7.989 1.00 19.18 ? 62 THR E N 1 ATOM 445 C CA . THR A 1 62 ? 48.215 8.163 7.861 1.00 16.38 ? 62 THR E CA 1 ATOM 446 C C . THR A 1 62 ? 48.133 9.029 9.097 1.00 15.99 ? 62 THR E C 1 ATOM 447 O O . THR A 1 62 ? 48.451 10.251 8.996 1.00 16.93 ? 62 THR E O 1 ATOM 448 C CB . THR A 1 62 ? 46.916 8.551 6.981 1.00 13.57 ? 62 THR E CB 1 ATOM 449 O OG1 . THR A 1 62 ? 45.762 8.107 7.742 1.00 15.00 ? 62 THR E OG1 1 ATOM 450 C CG2 . THR A 1 62 ? 46.933 7.875 5.606 1.00 18.32 ? 62 THR E CG2 1 ATOM 451 N N . GLY A 1 63 ? 47.707 8.455 10.217 1.00 15.86 ? 63 GLY E N 1 ATOM 452 C CA . GLY A 1 63 ? 47.501 9.285 11.424 1.00 14.73 ? 63 GLY E CA 1 ATOM 453 C C . GLY A 1 63 ? 48.772 9.613 12.157 1.00 15.76 ? 63 GLY E C 1 ATOM 454 O O . GLY A 1 63 ? 49.753 8.884 11.956 1.00 14.99 ? 63 GLY E O 1 ATOM 455 N N . LYS A 1 64 ? 48.778 10.673 12.944 1.00 14.16 ? 64 LYS E N 1 ATOM 456 C CA . LYS A 1 64 ? 49.915 11.018 13.834 1.00 13.17 ? 64 LYS E CA 1 ATOM 457 C C . LYS A 1 64 ? 49.358 10.687 15.247 1.00 12.38 ? 64 LYS E C 1 ATOM 458 O O . LYS A 1 64 ? 48.327 11.234 15.682 1.00 10.47 ? 64 LYS E O 1 ATOM 459 C CB . LYS A 1 64 ? 50.398 12.442 13.824 1.00 19.73 ? 64 LYS E CB 1 ATOM 460 C CG . LYS A 1 64 ? 50.962 12.892 12.475 1.00 29.66 ? 64 LYS E CG 1 ATOM 461 C CD . LYS A 1 64 ? 52.404 12.411 12.299 1.00 39.03 ? 64 LYS E CD 1 ATOM 462 C CE . LYS A 1 64 ? 53.361 13.162 13.226 1.00 44.65 ? 64 LYS E CE 1 ATOM 463 N NZ . LYS A 1 64 ? 54.301 12.228 13.912 1.00 47.42 ? 64 LYS E NZ 1 ATOM 464 N N . GLU A 1 65 ? 49.981 9.771 15.966 1.00 8.91 ? 65 GLU E N 1 ATOM 465 C CA . GLU A 1 65 ? 49.428 9.382 17.289 1.00 7.10 ? 65 GLU E CA 1 ATOM 466 C C . GLU A 1 65 ? 49.625 10.406 18.359 1.00 11.60 ? 65 GLU E C 1 ATOM 467 O O . GLU A 1 65 ? 50.736 10.985 18.304 1.00 11.81 ? 65 GLU E O 1 ATOM 468 C CB . GLU A 1 65 ? 50.180 8.138 17.759 1.00 7.98 ? 65 GLU E CB 1 ATOM 469 C CG . GLU A 1 65 ? 49.626 7.496 19.026 1.00 11.47 ? 65 GLU E CG 1 ATOM 470 C CD . GLU A 1 65 ? 50.217 6.162 19.374 1.00 16.01 ? 65 GLU E CD 1 ATOM 471 O OE1 . GLU A 1 65 ? 49.992 5.711 20.487 1.00 18.02 ? 65 GLU E OE1 1 ATOM 472 O OE2 . GLU A 1 65 ? 51.035 5.636 18.560 1.00 17.60 ? 65 GLU E OE2 1 ATOM 473 N N . LEU A 1 66 ? 48.710 10.628 19.287 1.00 8.64 ? 66 LEU E N 1 ATOM 474 C CA . LEU A 1 66 ? 48.920 11.553 20.399 1.00 9.95 ? 66 LEU E CA 1 ATOM 475 C C . LEU A 1 66 ? 49.184 10.547 21.545 1.00 9.82 ? 66 LEU E C 1 ATOM 476 O O . LEU A 1 66 ? 48.255 10.037 22.166 1.00 8.78 ? 66 LEU E O 1 ATOM 477 C CB . LEU A 1 66 ? 47.680 12.400 20.689 1.00 13.19 ? 66 LEU E CB 1 ATOM 478 C CG . LEU A 1 66 ? 47.306 13.440 19.668 1.00 14.11 ? 66 LEU E CG 1 ATOM 479 C CD1 . LEU A 1 66 ? 46.200 14.366 20.201 1.00 12.73 ? 66 LEU E CD1 1 ATOM 480 C CD2 . LEU A 1 66 ? 48.550 14.258 19.344 1.00 17.84 ? 66 LEU E CD2 1 ATOM 481 N N . SER A 1 67 ? 50.481 10.373 21.777 1.00 10.48 ? 67 SER E N 1 ATOM 482 C CA . SER A 1 67 ? 50.840 9.366 22.809 1.00 10.98 ? 67 SER E CA 1 ATOM 483 C C . SER A 1 67 ? 50.300 9.731 24.177 1.00 10.31 ? 67 SER E C 1 ATOM 484 O O . SER A 1 67 ? 50.366 10.877 24.697 1.00 11.89 ? 67 SER E O 1 ATOM 485 C CB . SER A 1 67 ? 52.371 9.152 22.679 1.00 16.01 ? 67 SER E CB 1 ATOM 486 O OG . SER A 1 67 ? 52.723 8.093 23.561 1.00 25.92 ? 67 SER E OG 1 ATOM 487 N N . GLY A 1 68 ? 49.718 8.701 24.772 1.00 9.03 ? 68 GLY E N 1 ATOM 488 C CA . GLY A 1 68 ? 49.115 8.777 26.099 1.00 12.60 ? 68 GLY E CA 1 ATOM 489 C C . GLY A 1 68 ? 47.691 9.343 26.168 1.00 12.47 ? 68 GLY E C 1 ATOM 490 O O . GLY A 1 68 ? 47.192 9.467 27.311 1.00 13.20 ? 68 GLY E O 1 ATOM 491 N N . TYR A 1 69 ? 47.134 9.715 25.040 1.00 9.95 ? 69 TYR E N 1 ATOM 492 C CA . TYR A 1 69 ? 45.793 10.322 25.055 1.00 7.40 ? 69 TYR E CA 1 ATOM 493 C C . TYR A 1 69 ? 44.733 9.233 24.934 1.00 8.01 ? 69 TYR E C 1 ATOM 494 O O . TYR A 1 69 ? 44.948 8.257 24.219 1.00 10.32 ? 69 TYR E O 1 ATOM 495 C CB . TYR A 1 69 ? 45.656 11.332 23.911 1.00 5.93 ? 69 TYR E CB 1 ATOM 496 C CG . TYR A 1 69 ? 46.336 12.658 24.206 1.00 11.17 ? 69 TYR E CG 1 ATOM 497 C CD1 . TYR A 1 69 ? 47.690 12.817 24.472 1.00 11.83 ? 69 TYR E CD1 1 ATOM 498 C CD2 . TYR A 1 69 ? 45.503 13.797 24.175 1.00 13.90 ? 69 TYR E CD2 1 ATOM 499 C CE1 . TYR A 1 69 ? 48.225 14.085 24.699 1.00 12.17 ? 69 TYR E CE1 1 ATOM 500 C CE2 . TYR A 1 69 ? 46.024 15.081 24.385 1.00 17.26 ? 69 TYR E CE2 1 ATOM 501 C CZ . TYR A 1 69 ? 47.392 15.201 24.654 1.00 19.36 ? 69 TYR E CZ 1 ATOM 502 O OH . TYR A 1 69 ? 47.846 16.477 24.832 1.00 20.04 ? 69 TYR E OH 1 ATOM 503 N N . THR A 1 70 ? 43.652 9.468 25.633 1.00 7.19 ? 70 THR E N 1 ATOM 504 C CA . THR A 1 70 ? 42.510 8.532 25.618 1.00 6.10 ? 70 THR E CA 1 ATOM 505 C C . THR A 1 70 ? 41.209 9.327 25.474 1.00 8.02 ? 70 THR E C 1 ATOM 506 O O . THR A 1 70 ? 41.150 10.544 25.697 1.00 6.65 ? 70 THR E O 1 ATOM 507 C CB . THR A 1 70 ? 42.495 7.669 26.945 1.00 8.72 ? 70 THR E CB 1 ATOM 508 O OG1 . THR A 1 70 ? 42.312 8.601 28.053 1.00 10.86 ? 70 THR E OG1 1 ATOM 509 C CG2 . THR A 1 70 ? 43.768 6.788 27.027 1.00 10.55 ? 70 THR E CG2 1 ATOM 510 N N . TRP A 1 71 ? 40.170 8.539 25.204 1.00 6.98 ? 71 TRP E N 1 ATOM 511 C CA . TRP A 1 71 ? 38.818 9.178 25.141 1.00 7.82 ? 71 TRP E CA 1 ATOM 512 C C . TRP A 1 71 ? 37.891 8.053 25.622 1.00 9.64 ? 71 TRP E C 1 ATOM 513 O O . TRP A 1 71 ? 38.234 6.869 25.510 1.00 7.67 ? 71 TRP E O 1 ATOM 514 C CB . TRP A 1 71 ? 38.490 9.619 23.736 1.00 5.59 ? 71 TRP E CB 1 ATOM 515 C CG . TRP A 1 71 ? 38.479 8.523 22.717 1.00 7.21 ? 71 TRP E CG 1 ATOM 516 C CD1 . TRP A 1 71 ? 39.551 8.018 22.022 1.00 6.55 ? 71 TRP E CD1 1 ATOM 517 C CD2 . TRP A 1 71 ? 37.314 7.832 22.236 1.00 5.25 ? 71 TRP E CD2 1 ATOM 518 N NE1 . TRP A 1 71 ? 39.124 7.054 21.124 1.00 5.50 ? 71 TRP E NE1 1 ATOM 519 C CE2 . TRP A 1 71 ? 37.757 6.917 21.255 1.00 6.93 ? 71 TRP E CE2 1 ATOM 520 C CE3 . TRP A 1 71 ? 35.957 7.920 22.556 1.00 5.27 ? 71 TRP E CE3 1 ATOM 521 C CZ2 . TRP A 1 71 ? 36.879 6.095 20.576 1.00 4.64 ? 71 TRP E CZ2 1 ATOM 522 C CZ3 . TRP A 1 71 ? 35.083 7.055 21.905 1.00 6.31 ? 71 TRP E CZ3 1 ATOM 523 C CH2 . TRP A 1 71 ? 35.548 6.188 20.911 1.00 7.73 ? 71 TRP E CH2 1 ATOM 524 N N . SER A 1 72 ? 36.716 8.496 26.044 1.00 11.43 ? 72 SER E N 1 ATOM 525 C CA . SER A 1 72 ? 35.718 7.513 26.530 1.00 11.17 ? 72 SER E CA 1 ATOM 526 C C . SER A 1 72 ? 34.461 8.330 26.776 1.00 12.32 ? 72 SER E C 1 ATOM 527 O O . SER A 1 72 ? 34.467 9.406 27.377 1.00 10.58 ? 72 SER E O 1 ATOM 528 C CB . SER A 1 72 ? 36.331 6.809 27.697 1.00 19.17 ? 72 SER E CB 1 ATOM 529 O OG . SER A 1 72 ? 35.408 6.573 28.698 1.00 27.40 ? 72 SER E OG 1 ATOM 530 N N . ILE A 1 73 ? 33.411 7.741 26.189 1.00 14.77 ? 73 ILE E N 1 ATOM 531 C CA . ILE A 1 73 ? 32.083 8.389 26.203 1.00 15.31 ? 73 ILE E CA 1 ATOM 532 C C . ILE A 1 73 ? 30.937 7.428 26.423 1.00 16.92 ? 73 ILE E C 1 ATOM 533 O O . ILE A 1 73 ? 31.001 6.245 26.019 1.00 16.80 ? 73 ILE E O 1 ATOM 534 C CB . ILE A 1 73 ? 31.978 9.123 24.791 1.00 16.06 ? 73 ILE E CB 1 ATOM 535 C CG1 . ILE A 1 73 ? 30.689 9.986 24.865 1.00 15.31 ? 73 ILE E CG1 1 ATOM 536 C CG2 . ILE A 1 73 ? 31.992 8.127 23.618 1.00 15.85 ? 73 ILE E CG2 1 ATOM 537 C CD1 . ILE A 1 73 ? 30.790 11.254 23.946 1.00 19.76 ? 73 ILE E CD1 1 ATOM 538 N N . SER A 1 74 ? 29.903 7.975 27.060 1.00 19.01 ? 74 SER E N 1 ATOM 539 C CA . SER A 1 74 ? 28.641 7.207 27.289 1.00 21.67 ? 74 SER E CA 1 ATOM 540 C C . SER A 1 74 ? 27.502 8.090 26.738 1.00 20.70 ? 74 SER E C 1 ATOM 541 O O . SER A 1 74 ? 27.483 9.292 27.006 1.00 21.44 ? 74 SER E O 1 ATOM 542 C CB . SER A 1 74 ? 28.432 6.668 28.672 1.00 23.20 ? 74 SER E CB 1 ATOM 543 O OG . SER A 1 74 ? 28.580 7.628 29.694 1.00 32.18 ? 74 SER E OG 1 ATOM 544 N N . TYR A 1 75 ? 26.636 7.479 25.944 1.00 19.92 ? 75 TYR E N 1 ATOM 545 C CA . TYR A 1 75 ? 25.495 8.156 25.340 1.00 19.34 ? 75 TYR E CA 1 ATOM 546 C C . TYR A 1 75 ? 24.217 7.920 26.161 1.00 21.31 ? 75 TYR E C 1 ATOM 547 O O . TYR A 1 75 ? 24.126 7.100 27.085 1.00 22.95 ? 75 TYR E O 1 ATOM 548 C CB . TYR A 1 75 ? 25.288 7.644 23.902 1.00 14.06 ? 75 TYR E CB 1 ATOM 549 C CG . TYR A 1 75 ? 26.529 7.993 23.095 1.00 19.80 ? 75 TYR E CG 1 ATOM 550 C CD1 . TYR A 1 75 ? 27.464 7.009 22.767 1.00 19.41 ? 75 TYR E CD1 1 ATOM 551 C CD2 . TYR A 1 75 ? 26.737 9.304 22.689 1.00 16.66 ? 75 TYR E CD2 1 ATOM 552 C CE1 . TYR A 1 75 ? 28.605 7.342 22.026 1.00 17.18 ? 75 TYR E CE1 1 ATOM 553 C CE2 . TYR A 1 75 ? 27.869 9.665 21.943 1.00 19.85 ? 75 TYR E CE2 1 ATOM 554 C CZ . TYR A 1 75 ? 28.787 8.659 21.615 1.00 18.99 ? 75 TYR E CZ 1 ATOM 555 O OH . TYR A 1 75 ? 29.874 9.031 20.883 1.00 19.40 ? 75 TYR E OH 1 ATOM 556 N N . GLY A 1 76 ? 23.208 8.648 25.728 1.00 22.19 ? 76 GLY E N 1 ATOM 557 C CA . GLY A 1 76 ? 21.868 8.687 26.277 1.00 25.09 ? 76 GLY E CA 1 ATOM 558 C C . GLY A 1 76 ? 21.089 7.378 26.235 1.00 26.21 ? 76 GLY E C 1 ATOM 559 O O . GLY A 1 76 ? 20.221 7.207 27.123 1.00 26.52 ? 76 GLY E O 1 ATOM 560 N N . ASP A 1 77 ? 21.400 6.502 25.292 1.00 26.41 ? 77 ASP E N 1 ATOM 561 C CA . ASP A 1 77 ? 20.689 5.210 25.189 1.00 28.44 ? 77 ASP E CA 1 ATOM 562 C C . ASP A 1 77 ? 21.428 4.043 25.839 1.00 29.28 ? 77 ASP E C 1 ATOM 563 O O . ASP A 1 77 ? 20.921 2.910 25.717 1.00 31.96 ? 77 ASP E O 1 ATOM 564 C CB . ASP A 1 77 ? 20.229 4.959 23.734 1.00 21.80 ? 77 ASP E CB 1 ATOM 565 C CG . ASP A 1 77 ? 21.468 5.036 22.841 1.00 23.83 ? 77 ASP E CG 1 ATOM 566 O OD1 . ASP A 1 77 ? 21.354 5.222 21.618 1.00 21.84 ? 77 ASP E OD1 1 ATOM 567 O OD2 . ASP A 1 77 ? 22.575 4.884 23.460 1.00 24.31 ? 77 ASP E OD2 1 ATOM 568 N N . GLY A 1 78 ? 22.527 4.277 26.534 1.00 30.24 ? 78 GLY E N 1 ATOM 569 C CA . GLY A 1 78 ? 23.261 3.212 27.258 1.00 29.92 ? 78 GLY E CA 1 ATOM 570 C C . GLY A 1 78 ? 24.544 2.742 26.544 1.00 27.71 ? 78 GLY E C 1 ATOM 571 O O . GLY A 1 78 ? 25.296 1.859 27.029 1.00 28.06 ? 78 GLY E O 1 ATOM 572 N N . SER A 1 79 ? 24.775 3.280 25.365 1.00 23.60 ? 79 SER E N 1 ATOM 573 C CA . SER A 1 79 ? 25.926 2.894 24.540 1.00 18.89 ? 79 SER E CA 1 ATOM 574 C C . SER A 1 79 ? 27.156 3.684 24.974 1.00 18.87 ? 79 SER E C 1 ATOM 575 O O . SER A 1 79 ? 27.044 4.778 25.547 1.00 17.40 ? 79 SER E O 1 ATOM 576 C CB . SER A 1 79 ? 25.479 3.078 23.116 1.00 20.39 ? 79 SER E CB 1 ATOM 577 O OG . SER A 1 79 ? 25.214 4.435 22.799 1.00 20.33 ? 79 SER E OG 1 ATOM 578 N N . SER A 1 80 ? 28.336 3.105 24.716 1.00 16.67 ? 80 SER E N 1 ATOM 579 C CA . SER A 1 80 ? 29.606 3.757 25.072 1.00 15.65 ? 80 SER E CA 1 ATOM 580 C C . SER A 1 80 ? 30.716 3.266 24.134 1.00 15.50 ? 80 SER E C 1 ATOM 581 O O . SER A 1 80 ? 30.521 2.257 23.423 1.00 14.44 ? 80 SER E O 1 ATOM 582 C CB . SER A 1 80 ? 30.003 3.354 26.487 1.00 19.23 ? 80 SER E CB 1 ATOM 583 O OG . SER A 1 80 ? 30.075 1.924 26.440 1.00 22.96 ? 80 SER E OG 1 ATOM 584 N N . ALA A 1 81 ? 31.829 3.979 24.190 1.00 11.76 ? 81 ALA E N 1 ATOM 585 C CA . ALA A 1 81 ? 32.957 3.592 23.288 1.00 8.91 ? 81 ALA E CA 1 ATOM 586 C C . ALA A 1 81 ? 34.183 4.252 23.926 1.00 10.31 ? 81 ALA E C 1 ATOM 587 O O . ALA A 1 81 ? 34.011 5.229 24.673 1.00 6.60 ? 81 ALA E O 1 ATOM 588 C CB . ALA A 1 81 ? 32.639 4.108 21.892 1.00 14.59 ? 81 ALA E CB 1 ATOM 589 N N . SER A 1 82 ? 35.350 3.689 23.671 1.00 11.11 ? 82 SER E N 1 ATOM 590 C CA . SER A 1 82 ? 36.611 4.247 24.222 1.00 9.65 ? 82 SER E CA 1 ATOM 591 C C . SER A 1 82 ? 37.756 3.833 23.279 1.00 8.49 ? 82 SER E C 1 ATOM 592 O O . SER A 1 82 ? 37.624 2.892 22.470 1.00 7.11 ? 82 SER E O 1 ATOM 593 C CB . SER A 1 82 ? 36.819 3.776 25.658 1.00 13.26 ? 82 SER E CB 1 ATOM 594 O OG . SER A 1 82 ? 36.916 2.347 25.664 1.00 13.78 ? 82 SER E OG 1 ATOM 595 N N . GLY A 1 83 ? 38.834 4.630 23.385 1.00 9.24 ? 83 GLY E N 1 ATOM 596 C CA . GLY A 1 83 ? 40.000 4.303 22.556 1.00 5.02 ? 83 GLY E CA 1 ATOM 597 C C . GLY A 1 83 ? 41.100 5.322 22.799 1.00 6.91 ? 83 GLY E C 1 ATOM 598 O O . GLY A 1 83 ? 41.277 5.916 23.865 1.00 6.56 ? 83 GLY E O 1 ATOM 599 N N . ASN A 1 84 ? 41.899 5.381 21.706 1.00 7.41 ? 84 ASN E N 1 ATOM 600 C CA . ASN A 1 84 ? 43.078 6.271 21.673 1.00 7.38 ? 84 ASN E CA 1 ATOM 601 C C . ASN A 1 84 ? 42.861 7.314 20.564 1.00 8.30 ? 84 ASN E C 1 ATOM 602 O O . ASN A 1 84 ? 41.796 7.411 19.907 1.00 8.10 ? 84 ASN E O 1 ATOM 603 C CB . ASN A 1 84 ? 44.385 5.480 21.641 1.00 8.29 ? 84 ASN E CB 1 ATOM 604 C CG . ASN A 1 84 ? 44.519 4.600 20.424 1.00 9.83 ? 84 ASN E CG 1 ATOM 605 O OD1 . ASN A 1 84 ? 43.590 4.396 19.626 1.00 8.94 ? 84 ASN E OD1 1 ATOM 606 N ND2 . ASN A 1 84 ? 45.698 4.043 20.193 1.00 11.13 ? 84 ASN E ND2 1 ATOM 607 N N . VAL A 1 85 ? 43.879 8.152 20.413 1.00 8.02 ? 85 VAL E N 1 ATOM 608 C CA . VAL A 1 85 ? 43.718 9.330 19.521 1.00 6.77 ? 85 VAL E CA 1 ATOM 609 C C . VAL A 1 85 ? 44.859 9.603 18.579 1.00 5.96 ? 85 VAL E C 1 ATOM 610 O O . VAL A 1 85 ? 45.995 9.495 18.987 1.00 7.77 ? 85 VAL E O 1 ATOM 611 C CB . VAL A 1 85 ? 43.496 10.561 20.477 1.00 8.56 ? 85 VAL E CB 1 ATOM 612 C CG1 . VAL A 1 85 ? 43.123 11.826 19.657 1.00 9.90 ? 85 VAL E CG1 1 ATOM 613 C CG2 . VAL A 1 85 ? 42.550 10.368 21.672 1.00 5.26 ? 85 VAL E CG2 1 ATOM 614 N N . PHE A 1 86 ? 44.479 9.972 17.359 1.00 6.59 ? 86 PHE E N 1 ATOM 615 C CA . PHE A 1 86 ? 45.409 10.323 16.295 1.00 6.31 ? 86 PHE E CA 1 ATOM 616 C C . PHE A 1 86 ? 44.989 11.634 15.656 1.00 7.91 ? 86 PHE E C 1 ATOM 617 O O . PHE A 1 86 ? 43.790 12.006 15.886 1.00 13.08 ? 86 PHE E O 1 ATOM 618 C CB . PHE A 1 86 ? 45.298 9.247 15.155 1.00 6.26 ? 86 PHE E CB 1 ATOM 619 C CG . PHE A 1 86 ? 45.783 7.930 15.720 1.00 8.66 ? 86 PHE E CG 1 ATOM 620 C CD1 . PHE A 1 86 ? 44.888 7.107 16.417 1.00 10.63 ? 86 PHE E CD1 1 ATOM 621 C CD2 . PHE A 1 86 ? 47.115 7.550 15.542 1.00 11.04 ? 86 PHE E CD2 1 ATOM 622 C CE1 . PHE A 1 86 ? 45.326 5.912 16.994 1.00 12.34 ? 86 PHE E CE1 1 ATOM 623 C CE2 . PHE A 1 86 ? 47.570 6.318 16.067 1.00 11.62 ? 86 PHE E CE2 1 ATOM 624 C CZ . PHE A 1 86 ? 46.672 5.523 16.794 1.00 8.96 ? 86 PHE E CZ 1 ATOM 625 N N . THR A 1 87 ? 45.841 12.296 14.940 1.00 6.63 ? 87 THR E N 1 ATOM 626 C CA . THR A 1 87 ? 45.385 13.483 14.157 1.00 6.29 ? 87 THR E CA 1 ATOM 627 C C . THR A 1 87 ? 45.516 13.015 12.717 1.00 7.18 ? 87 THR E C 1 ATOM 628 O O . THR A 1 87 ? 46.391 12.210 12.321 1.00 8.78 ? 87 THR E O 1 ATOM 629 C CB . THR A 1 87 ? 46.151 14.820 14.478 1.00 8.86 ? 87 THR E CB 1 ATOM 630 O OG1 . THR A 1 87 ? 47.534 14.533 14.119 1.00 11.19 ? 87 THR E OG1 1 ATOM 631 C CG2 . THR A 1 87 ? 45.981 15.254 15.941 1.00 9.93 ? 87 THR E CG2 1 ATOM 632 N N . ASP A 1 88 ? 44.614 13.523 11.896 1.00 6.89 ? 88 ASP E N 1 ATOM 633 C CA . ASP A 1 88 ? 44.620 13.197 10.456 1.00 7.41 ? 88 ASP E CA 1 ATOM 634 C C . ASP A 1 88 ? 43.891 14.290 9.664 1.00 6.13 ? 88 ASP E C 1 ATOM 635 O O . ASP A 1 88 ? 43.355 15.255 10.215 1.00 8.80 ? 88 ASP E O 1 ATOM 636 C CB . ASP A 1 88 ? 44.008 11.791 10.283 1.00 7.97 ? 88 ASP E CB 1 ATOM 637 C CG . ASP A 1 88 ? 44.594 11.010 9.116 1.00 14.89 ? 88 ASP E CG 1 ATOM 638 O OD1 . ASP A 1 88 ? 44.680 9.760 9.195 1.00 11.21 ? 88 ASP E OD1 1 ATOM 639 O OD2 . ASP A 1 88 ? 45.073 11.623 8.144 1.00 13.09 ? 88 ASP E OD2 1 ATOM 640 N N . SER A 1 89 ? 43.785 14.061 8.379 1.00 7.26 ? 89 SER E N 1 ATOM 641 C CA . SER A 1 89 ? 43.038 15.020 7.509 1.00 7.34 ? 89 SER E CA 1 ATOM 642 C C . SER A 1 89 ? 41.618 14.438 7.414 1.00 9.40 ? 89 SER E C 1 ATOM 643 O O . SER A 1 89 ? 41.496 13.214 7.202 1.00 7.92 ? 89 SER E O 1 ATOM 644 C CB . SER A 1 89 ? 43.690 15.272 6.151 1.00 14.21 ? 89 SER E CB 1 ATOM 645 O OG . SER A 1 89 ? 43.724 13.993 5.481 1.00 26.78 ? 89 SER E OG 1 ATOM 646 N N . VAL A 1 90 ? 40.669 15.368 7.619 1.00 6.58 ? 90 VAL E N 1 ATOM 647 C CA . VAL A 1 90 ? 39.267 14.897 7.651 1.00 8.10 ? 90 VAL E CA 1 ATOM 648 C C . VAL A 1 90 ? 38.518 15.791 6.656 1.00 8.16 ? 90 VAL E C 1 ATOM 649 O O . VAL A 1 90 ? 38.622 17.002 6.859 1.00 10.12 ? 90 VAL E O 1 ATOM 650 C CB . VAL A 1 90 ? 38.760 14.948 9.097 1.00 7.07 ? 90 VAL E CB 1 ATOM 651 C CG1 . VAL A 1 90 ? 37.234 14.577 9.112 1.00 7.43 ? 90 VAL E CG1 1 ATOM 652 C CG2 . VAL A 1 90 ? 39.501 14.037 10.066 1.00 6.80 ? 90 VAL E CG2 1 ATOM 653 N N . THR A 1 91 ? 37.872 15.182 5.678 1.00 9.45 ? 91 THR E N 1 ATOM 654 C CA . THR A 1 91 ? 37.144 15.950 4.655 1.00 8.48 ? 91 THR E CA 1 ATOM 655 C C . THR A 1 91 ? 35.643 15.691 4.661 1.00 10.53 ? 91 THR E C 1 ATOM 656 O O . THR A 1 91 ? 35.252 14.520 4.634 1.00 8.75 ? 91 THR E O 1 ATOM 657 C CB . THR A 1 91 ? 37.675 15.725 3.179 1.00 10.15 ? 91 THR E CB 1 ATOM 658 O OG1 . THR A 1 91 ? 39.078 16.093 3.255 1.00 10.97 ? 91 THR E OG1 1 ATOM 659 C CG2 . THR A 1 91 ? 36.896 16.621 2.209 1.00 10.30 ? 91 THR E CG2 1 ATOM 660 N N . VAL A 1 92 ? 34.923 16.828 4.696 1.00 8.46 ? 92 VAL E N 1 ATOM 661 C CA . VAL A 1 92 ? 33.451 16.639 4.725 1.00 11.42 ? 92 VAL E CA 1 ATOM 662 C C . VAL A 1 92 ? 32.917 17.589 3.652 1.00 11.37 ? 92 VAL E C 1 ATOM 663 O O . VAL A 1 92 ? 33.220 18.800 3.712 1.00 10.65 ? 92 VAL E O 1 ATOM 664 C CB . VAL A 1 92 ? 32.874 16.965 6.139 1.00 14.72 ? 92 VAL E CB 1 ATOM 665 C CG1 . VAL A 1 92 ? 31.358 16.961 6.099 1.00 13.09 ? 92 VAL E CG1 1 ATOM 666 C CG2 . VAL A 1 92 ? 33.374 16.023 7.232 1.00 14.89 ? 92 VAL E CG2 1 ATOM 667 N N . GLY A 1 93 ? 32.223 17.014 2.704 1.00 11.81 ? 93 GLY E N 1 ATOM 668 C CA . GLY A 1 93 ? 31.660 17.858 1.614 1.00 12.09 ? 93 GLY E CA 1 ATOM 669 C C . GLY A 1 93 ? 32.632 18.868 1.036 1.00 13.44 ? 93 GLY E C 1 ATOM 670 O O . GLY A 1 93 ? 32.302 20.038 0.678 1.00 14.93 ? 93 GLY E O 1 ATOM 671 N N . GLY A 1 94 ? 33.847 18.426 0.813 1.00 13.56 ? 94 GLY E N 1 ATOM 672 C CA . GLY A 1 94 ? 34.915 19.167 0.206 1.00 13.78 ? 94 GLY E CA 1 ATOM 673 C C . GLY A 1 94 ? 35.565 20.132 1.183 1.00 13.42 ? 94 GLY E C 1 ATOM 674 O O . GLY A 1 94 ? 36.482 20.817 0.701 1.00 16.29 ? 94 GLY E O 1 ATOM 675 N N . VAL A 1 95 ? 35.191 20.136 2.432 1.00 11.39 ? 95 VAL E N 1 ATOM 676 C CA . VAL A 1 95 ? 35.890 21.030 3.406 1.00 11.33 ? 95 VAL E CA 1 ATOM 677 C C . VAL A 1 95 ? 36.863 20.110 4.163 1.00 11.79 ? 95 VAL E C 1 ATOM 678 O O . VAL A 1 95 ? 36.377 19.127 4.740 1.00 10.86 ? 95 VAL E O 1 ATOM 679 C CB . VAL A 1 95 ? 34.864 21.729 4.281 1.00 10.66 ? 95 VAL E CB 1 ATOM 680 C CG1 . VAL A 1 95 ? 35.527 22.534 5.398 1.00 12.83 ? 95 VAL E CG1 1 ATOM 681 C CG2 . VAL A 1 95 ? 33.938 22.630 3.435 1.00 12.64 ? 95 VAL E CG2 1 ATOM 682 N N . THR A 1 96 ? 38.134 20.451 4.153 1.00 11.67 ? 96 THR E N 1 ATOM 683 C CA . THR A 1 96 ? 39.162 19.650 4.825 1.00 13.15 ? 96 THR E CA 1 ATOM 684 C C . THR A 1 96 ? 39.740 20.306 6.082 1.00 15.24 ? 96 THR E C 1 ATOM 685 O O . THR A 1 96 ? 40.224 21.454 6.051 1.00 14.18 ? 96 THR E O 1 ATOM 686 C CB . THR A 1 96 ? 40.405 19.284 3.913 1.00 11.69 ? 96 THR E CB 1 ATOM 687 O OG1 . THR A 1 96 ? 39.883 18.658 2.713 1.00 13.78 ? 96 THR E OG1 1 ATOM 688 C CG2 . THR A 1 96 ? 41.443 18.422 4.668 1.00 13.96 ? 96 THR E CG2 1 ATOM 689 N N . ALA A 1 97 ? 39.709 19.569 7.163 1.00 13.50 ? 97 ALA E N 1 ATOM 690 C CA . ALA A 1 97 ? 40.292 19.969 8.442 1.00 14.08 ? 97 ALA E CA 1 ATOM 691 C C . ALA A 1 97 ? 41.652 19.238 8.487 1.00 16.04 ? 97 ALA E C 1 ATOM 692 O O . ALA A 1 97 ? 41.652 17.999 8.381 1.00 14.46 ? 97 ALA E O 1 ATOM 693 C CB . ALA A 1 97 ? 39.438 19.510 9.613 1.00 9.38 ? 97 ALA E CB 1 ATOM 694 N N . HIS A 1 98 ? 42.734 20.019 8.529 1.00 15.17 ? 98 HIS E N 1 ATOM 695 C CA . HIS A 1 98 ? 44.042 19.352 8.631 1.00 15.20 ? 98 HIS E CA 1 ATOM 696 C C . HIS A 1 98 ? 44.331 19.259 10.131 1.00 12.53 ? 98 HIS E C 1 ATOM 697 O O . HIS A 1 98 ? 43.948 20.180 10.885 1.00 16.73 ? 98 HIS E O 1 ATOM 698 C CB . HIS A 1 98 ? 45.206 20.049 7.908 1.00 21.52 ? 98 HIS E CB 1 ATOM 699 C CG . HIS A 1 98 ? 44.935 20.080 6.431 1.00 25.74 ? 98 HIS E CG 1 ATOM 700 N ND1 . HIS A 1 98 ? 44.248 21.095 5.796 1.00 27.70 ? 98 HIS E ND1 1 ATOM 701 C CD2 . HIS A 1 98 ? 45.236 19.131 5.501 1.00 25.40 ? 98 HIS E CD2 1 ATOM 702 C CE1 . HIS A 1 98 ? 44.204 20.797 4.498 1.00 25.87 ? 98 HIS E CE1 1 ATOM 703 N NE2 . HIS A 1 98 ? 44.779 19.627 4.304 1.00 26.87 ? 98 HIS E NE2 1 ATOM 704 N N . GLY A 1 99 ? 44.947 18.193 10.539 1.00 11.57 ? 99 GLY E N 1 ATOM 705 C CA . GLY A 1 99 ? 45.305 17.946 11.947 1.00 12.20 ? 99 GLY E CA 1 ATOM 706 C C . GLY A 1 99 ? 44.119 17.752 12.877 1.00 11.94 ? 99 GLY E C 1 ATOM 707 O O . GLY A 1 99 ? 44.181 18.045 14.108 1.00 12.35 ? 99 GLY E O 1 ATOM 708 N N . GLN A 1 100 ? 42.999 17.246 12.304 1.00 9.52 ? 100 GLN E N 1 ATOM 709 C CA . GLN A 1 100 ? 41.805 16.994 13.134 1.00 8.10 ? 100 GLN E CA 1 ATOM 710 C C . GLN A 1 100 ? 42.032 15.771 14.049 1.00 7.48 ? 100 GLN E C 1 ATOM 711 O O . GLN A 1 100 ? 42.567 14.762 13.508 1.00 7.70 ? 100 GLN E O 1 ATOM 712 C CB . GLN A 1 100 ? 40.603 16.783 12.198 1.00 8.07 ? 100 GLN E CB 1 ATOM 713 C CG . GLN A 1 100 ? 39.348 16.275 12.938 1.00 6.05 ? 100 GLN E CG 1 ATOM 714 C CD . GLN A 1 100 ? 38.764 17.340 13.845 1.00 9.55 ? 100 GLN E CD 1 ATOM 715 O OE1 . GLN A 1 100 ? 38.799 18.523 13.556 1.00 10.42 ? 100 GLN E OE1 1 ATOM 716 N NE2 . GLN A 1 100 ? 38.327 16.887 15.041 1.00 8.84 ? 100 GLN E NE2 1 ATOM 717 N N . ALA A 1 101 ? 41.603 15.889 15.316 1.00 5.03 ? 101 ALA E N 1 ATOM 718 C CA . ALA A 1 101 ? 41.775 14.699 16.209 1.00 6.11 ? 101 ALA E CA 1 ATOM 719 C C . ALA A 1 101 ? 40.776 13.621 15.795 1.00 7.71 ? 101 ALA E C 1 ATOM 720 O O . ALA A 1 101 ? 39.559 13.951 15.714 1.00 7.73 ? 101 ALA E O 1 ATOM 721 C CB . ALA A 1 101 ? 41.554 15.074 17.645 1.00 4.61 ? 101 ALA E CB 1 ATOM 722 N N . VAL A 1 102 ? 41.171 12.404 15.587 1.00 5.05 ? 102 VAL E N 1 ATOM 723 C CA . VAL A 1 102 ? 40.310 11.302 15.178 1.00 5.04 ? 102 VAL E CA 1 ATOM 724 C C . VAL A 1 102 ? 40.417 10.279 16.330 1.00 7.09 ? 102 VAL E C 1 ATOM 725 O O . VAL A 1 102 ? 41.564 9.862 16.603 1.00 7.35 ? 102 VAL E O 1 ATOM 726 C CB . VAL A 1 102 ? 40.723 10.721 13.818 1.00 7.98 ? 102 VAL E CB 1 ATOM 727 C CG1 . VAL A 1 102 ? 39.865 9.479 13.492 1.00 6.60 ? 102 VAL E CG1 1 ATOM 728 C CG2 . VAL A 1 102 ? 40.681 11.711 12.679 1.00 6.42 ? 102 VAL E CG2 1 ATOM 729 N N . GLN A 1 103 ? 39.271 10.005 16.925 1.00 4.50 ? 103 GLN E N 1 ATOM 730 C CA . GLN A 1 103 ? 39.214 9.097 18.093 1.00 5.13 ? 103 GLN E CA 1 ATOM 731 C C . GLN A 1 103 ? 39.011 7.682 17.584 1.00 5.34 ? 103 GLN E C 1 ATOM 732 O O . GLN A 1 103 ? 37.919 7.369 17.116 1.00 7.38 ? 103 GLN E O 1 ATOM 733 C CB . GLN A 1 103 ? 38.154 9.597 19.098 1.00 7.71 ? 103 GLN E CB 1 ATOM 734 C CG . GLN A 1 103 ? 38.531 11.063 19.430 1.00 9.56 ? 103 GLN E CG 1 ATOM 735 C CD . GLN A 1 103 ? 37.464 11.741 20.262 1.00 9.03 ? 103 GLN E CD 1 ATOM 736 O OE1 . GLN A 1 103 ? 37.145 12.927 20.085 1.00 8.18 ? 103 GLN E OE1 1 ATOM 737 N NE2 . GLN A 1 103 ? 36.895 10.946 21.124 1.00 3.98 ? 103 GLN E NE2 1 ATOM 738 N N . ALA A 1 104 ? 40.099 6.895 17.636 1.00 5.21 ? 104 ALA E N 1 ATOM 739 C CA . ALA A 1 104 ? 40.016 5.494 17.132 1.00 4.11 ? 104 ALA E CA 1 ATOM 740 C C . ALA A 1 104 ? 39.423 4.598 18.199 1.00 4.45 ? 104 ALA E C 1 ATOM 741 O O . ALA A 1 104 ? 39.978 4.536 19.316 1.00 6.77 ? 104 ALA E O 1 ATOM 742 C CB . ALA A 1 104 ? 41.430 5.020 16.722 1.00 6.22 ? 104 ALA E CB 1 ATOM 743 N N . ALA A 1 105 ? 38.376 3.831 17.831 1.00 3.35 ? 105 ALA E N 1 ATOM 744 C CA . ALA A 1 105 ? 37.776 2.955 18.841 1.00 5.73 ? 105 ALA E CA 1 ATOM 745 C C . ALA A 1 105 ? 38.673 1.724 19.112 1.00 6.35 ? 105 ALA E C 1 ATOM 746 O O . ALA A 1 105 ? 39.153 1.105 18.145 1.00 8.02 ? 105 ALA E O 1 ATOM 747 C CB . ALA A 1 105 ? 36.436 2.455 18.318 1.00 4.43 ? 105 ALA E CB 1 ATOM 748 N N . GLN A 1 106 ? 38.777 1.443 20.415 1.00 5.92 ? 106 GLN E N 1 ATOM 749 C CA . GLN A 1 106 ? 39.461 0.214 20.847 1.00 7.09 ? 106 GLN E CA 1 ATOM 750 C C . GLN A 1 106 ? 38.403 -0.715 21.473 1.00 10.81 ? 106 GLN E C 1 ATOM 751 O O . GLN A 1 106 ? 38.566 -1.940 21.516 1.00 11.76 ? 106 GLN E O 1 ATOM 752 C CB . GLN A 1 106 ? 40.553 0.566 21.853 1.00 7.35 ? 106 GLN E CB 1 ATOM 753 C CG . GLN A 1 106 ? 41.788 1.098 21.046 1.00 7.50 ? 106 GLN E CG 1 ATOM 754 C CD . GLN A 1 106 ? 42.860 1.422 22.059 1.00 10.77 ? 106 GLN E CD 1 ATOM 755 O OE1 . GLN A 1 106 ? 42.593 2.126 23.014 1.00 13.23 ? 106 GLN E OE1 1 ATOM 756 N NE2 . GLN A 1 106 ? 44.064 0.846 21.948 1.00 16.62 ? 106 GLN E NE2 1 ATOM 757 N N . GLN A 1 107 ? 37.307 -0.126 21.953 1.00 11.20 ? 107 GLN E N 1 ATOM 758 C CA . GLN A 1 107 ? 36.231 -0.900 22.576 1.00 12.09 ? 107 GLN E CA 1 ATOM 759 C C . GLN A 1 107 ? 34.908 -0.228 22.204 1.00 12.26 ? 107 GLN E C 1 ATOM 760 O O . GLN A 1 107 ? 34.917 1.023 22.165 1.00 11.77 ? 107 GLN E O 1 ATOM 761 C CB . GLN A 1 107 ? 36.431 -0.867 24.100 1.00 18.54 ? 107 GLN E CB 1 ATOM 762 C CG . GLN A 1 107 ? 37.936 -0.716 24.395 1.00 37.90 ? 107 GLN E CG 1 ATOM 763 C CD . GLN A 1 107 ? 38.541 -2.056 24.796 1.00 45.04 ? 107 GLN E CD 1 ATOM 764 O OE1 . GLN A 1 107 ? 39.760 -2.225 24.978 1.00 49.84 ? 107 GLN E OE1 1 ATOM 765 N NE2 . GLN A 1 107 ? 37.626 -3.028 24.935 1.00 49.45 ? 107 GLN E NE2 1 ATOM 766 N N . ILE A 1 108 ? 33.883 -1.008 21.956 1.00 10.20 ? 108 ILE E N 1 ATOM 767 C CA . ILE A 1 108 ? 32.557 -0.446 21.610 1.00 12.43 ? 108 ILE E CA 1 ATOM 768 C C . ILE A 1 108 ? 31.512 -1.330 22.296 1.00 12.55 ? 108 ILE E C 1 ATOM 769 O O . ILE A 1 108 ? 31.822 -2.526 22.397 1.00 14.16 ? 108 ILE E O 1 ATOM 770 C CB . ILE A 1 108 ? 32.296 -0.334 20.091 1.00 13.53 ? 108 ILE E CB 1 ATOM 771 C CG1 . ILE A 1 108 ? 32.583 -1.693 19.364 1.00 12.99 ? 108 ILE E CG1 1 ATOM 772 C CG2 . ILE A 1 108 ? 33.111 0.839 19.478 1.00 12.37 ? 108 ILE E CG2 1 ATOM 773 C CD1 . ILE A 1 108 ? 31.947 -1.749 17.961 1.00 17.17 ? 108 ILE E CD1 1 ATOM 774 N N . SER A 1 109 ? 30.392 -0.756 22.715 1.00 13.71 ? 109 SER E N 1 ATOM 775 C CA . SER A 1 109 ? 29.393 -1.611 23.417 1.00 14.39 ? 109 SER E CA 1 ATOM 776 C C . SER A 1 109 ? 28.587 -2.316 22.358 1.00 15.74 ? 109 SER E C 1 ATOM 777 O O . SER A 1 109 ? 28.711 -2.026 21.182 1.00 13.88 ? 109 SER E O 1 ATOM 778 C CB . SER A 1 109 ? 28.631 -0.749 24.405 1.00 18.80 ? 109 SER E CB 1 ATOM 779 O OG . SER A 1 109 ? 27.860 0.209 23.646 1.00 19.74 ? 109 SER E OG 1 ATOM 780 N N . ALA A 1 110 ? 27.787 -3.305 22.718 1.00 19.57 ? 110 ALA E N 1 ATOM 781 C CA . ALA A 1 110 ? 26.981 -4.113 21.796 1.00 20.02 ? 110 ALA E CA 1 ATOM 782 C C . ALA A 1 110 ? 26.090 -3.292 20.879 1.00 19.44 ? 110 ALA E C 1 ATOM 783 O O . ALA A 1 110 ? 25.895 -3.693 19.726 1.00 20.32 ? 110 ALA E O 1 ATOM 784 C CB . ALA A 1 110 ? 26.090 -5.084 22.576 1.00 23.44 ? 110 ALA E CB 1 ATOM 785 N N . GLN A 1 111 ? 25.519 -2.205 21.389 1.00 20.40 ? 111 GLN E N 1 ATOM 786 C CA . GLN A 1 111 ? 24.681 -1.367 20.496 1.00 18.96 ? 111 GLN E CA 1 ATOM 787 C C . GLN A 1 111 ? 25.454 -0.992 19.253 1.00 17.36 ? 111 GLN E C 1 ATOM 788 O O . GLN A 1 111 ? 24.897 -1.080 18.152 1.00 16.94 ? 111 GLN E O 1 ATOM 789 C CB . GLN A 1 111 ? 24.196 -0.120 21.239 1.00 26.04 ? 111 GLN E CB 1 ATOM 790 C CG . GLN A 1 111 ? 23.344 -0.607 22.410 1.00 35.04 ? 111 GLN E CG 1 ATOM 791 C CD . GLN A 1 111 ? 23.976 -0.500 23.782 1.00 39.51 ? 111 GLN E CD 1 ATOM 792 O OE1 . GLN A 1 111 ? 25.130 -0.855 24.054 1.00 34.04 ? 111 GLN E OE1 1 ATOM 793 N NE2 . GLN A 1 111 ? 23.073 0.009 24.656 1.00 36.94 ? 111 GLN E NE2 1 ATOM 794 N N . PHE A 1 112 ? 26.722 -0.586 19.396 1.00 13.45 ? 112 PHE E N 1 ATOM 795 C CA . PHE A 1 112 ? 27.502 -0.204 18.209 1.00 15.45 ? 112 PHE E CA 1 ATOM 796 C C . PHE A 1 112 ? 27.931 -1.446 17.443 1.00 18.19 ? 112 PHE E C 1 ATOM 797 O O . PHE A 1 112 ? 27.959 -1.408 16.193 1.00 20.29 ? 112 PHE E O 1 ATOM 798 C CB . PHE A 1 112 ? 28.679 0.708 18.520 1.00 11.16 ? 112 PHE E CB 1 ATOM 799 C CG . PHE A 1 112 ? 28.283 1.991 19.177 1.00 10.89 ? 112 PHE E CG 1 ATOM 800 C CD1 . PHE A 1 112 ? 28.588 2.207 20.529 1.00 11.88 ? 112 PHE E CD1 1 ATOM 801 C CD2 . PHE A 1 112 ? 27.600 2.952 18.426 1.00 11.68 ? 112 PHE E CD2 1 ATOM 802 C CE1 . PHE A 1 112 ? 28.268 3.408 21.145 1.00 16.21 ? 112 PHE E CE1 1 ATOM 803 C CE2 . PHE A 1 112 ? 27.268 4.184 19.045 1.00 15.17 ? 112 PHE E CE2 1 ATOM 804 C CZ . PHE A 1 112 ? 27.588 4.384 20.411 1.00 16.63 ? 112 PHE E CZ 1 ATOM 805 N N . GLN A 1 113 ? 28.270 -2.478 18.185 1.00 20.25 ? 113 GLN E N 1 ATOM 806 C CA . GLN A 1 113 ? 28.692 -3.756 17.572 1.00 24.80 ? 113 GLN E CA 1 ATOM 807 C C . GLN A 1 113 ? 27.608 -4.214 16.573 1.00 25.78 ? 113 GLN E C 1 ATOM 808 O O . GLN A 1 113 ? 27.944 -4.539 15.411 1.00 28.44 ? 113 GLN E O 1 ATOM 809 C CB . GLN A 1 113 ? 29.005 -4.830 18.594 1.00 26.70 ? 113 GLN E CB 1 ATOM 810 C CG . GLN A 1 113 ? 30.191 -4.465 19.475 1.00 31.59 ? 113 GLN E CG 1 ATOM 811 C CD . GLN A 1 113 ? 30.528 -5.434 20.576 1.00 34.05 ? 113 GLN E CD 1 ATOM 812 O OE1 . GLN A 1 113 ? 30.317 -6.655 20.455 1.00 40.75 ? 113 GLN E OE1 1 ATOM 813 N NE2 . GLN A 1 113 ? 31.053 -4.960 21.702 1.00 34.79 ? 113 GLN E NE2 1 ATOM 814 N N . GLN A 1 114 ? 26.380 -4.129 17.032 1.00 23.88 ? 114 GLN E N 1 ATOM 815 C CA . GLN A 1 114 ? 25.252 -4.568 16.187 1.00 24.93 ? 114 GLN E CA 1 ATOM 816 C C . GLN A 1 114 ? 24.861 -3.585 15.100 1.00 24.71 ? 114 GLN E C 1 ATOM 817 O O . GLN A 1 114 ? 24.180 -4.071 14.170 1.00 25.78 ? 114 GLN E O 1 ATOM 818 C CB . GLN A 1 114 ? 24.053 -4.922 17.092 1.00 29.71 ? 114 GLN E CB 1 ATOM 819 C CG . GLN A 1 114 ? 24.388 -5.955 18.165 1.00 35.59 ? 114 GLN E CG 1 ATOM 820 C CD . GLN A 1 114 ? 23.503 -5.976 19.381 1.00 42.30 ? 114 GLN E CD 1 ATOM 821 O OE1 . GLN A 1 114 ? 22.492 -5.283 19.574 1.00 44.82 ? 114 GLN E OE1 1 ATOM 822 N NE2 . GLN A 1 114 ? 23.895 -6.837 20.338 1.00 44.65 ? 114 GLN E NE2 1 ATOM 823 N N . ASP A 1 115 ? 25.213 -2.310 15.157 1.00 22.42 ? 115 ASP E N 1 ATOM 824 C CA . ASP A 1 115 ? 24.723 -1.377 14.120 1.00 21.33 ? 115 ASP E CA 1 ATOM 825 C C . ASP A 1 115 ? 25.669 -1.249 12.935 1.00 21.27 ? 115 ASP E C 1 ATOM 826 O O . ASP A 1 115 ? 26.646 -0.486 13.094 1.00 25.15 ? 115 ASP E O 1 ATOM 827 C CB . ASP A 1 115 ? 24.406 -0.071 14.850 1.00 23.15 ? 115 ASP E CB 1 ATOM 828 C CG . ASP A 1 115 ? 23.906 1.040 13.919 1.00 20.58 ? 115 ASP E CG 1 ATOM 829 O OD1 . ASP A 1 115 ? 23.723 0.846 12.718 1.00 24.49 ? 115 ASP E OD1 1 ATOM 830 O OD2 . ASP A 1 115 ? 23.693 2.137 14.501 1.00 24.25 ? 115 ASP E OD2 1 ATOM 831 N N . THR A 1 116 ? 25.420 -1.904 11.830 1.00 18.43 ? 116 THR E N 1 ATOM 832 C CA . THR A 1 116 ? 26.313 -1.830 10.673 1.00 20.57 ? 116 THR E CA 1 ATOM 833 C C . THR A 1 116 ? 26.022 -0.667 9.711 1.00 18.22 ? 116 THR E C 1 ATOM 834 O O . THR A 1 116 ? 26.699 -0.578 8.670 1.00 19.60 ? 116 THR E O 1 ATOM 835 C CB . THR A 1 116 ? 26.477 -3.210 9.909 1.00 23.21 ? 116 THR E CB 1 ATOM 836 O OG1 . THR A 1 116 ? 25.188 -3.575 9.337 1.00 26.62 ? 116 THR E OG1 1 ATOM 837 C CG2 . THR A 1 116 ? 27.021 -4.272 10.893 1.00 27.40 ? 116 THR E CG2 1 ATOM 838 N N . ASN A 1 117 ? 25.114 0.175 10.128 1.00 17.96 ? 117 ASN E N 1 ATOM 839 C CA . ASN A 1 117 ? 24.708 1.352 9.358 1.00 18.90 ? 117 ASN E CA 1 ATOM 840 C C . ASN A 1 117 ? 25.775 2.474 9.373 1.00 16.62 ? 117 ASN E C 1 ATOM 841 O O . ASN A 1 117 ? 25.842 3.271 8.410 1.00 15.90 ? 117 ASN E O 1 ATOM 842 C CB . ASN A 1 117 ? 23.406 1.906 9.973 1.00 23.40 ? 117 ASN E CB 1 ATOM 843 C CG . ASN A 1 117 ? 22.252 0.901 9.894 1.00 31.04 ? 117 ASN E CG 1 ATOM 844 O OD1 . ASN A 1 117 ? 22.113 0.255 8.836 1.00 31.90 ? 117 ASN E OD1 1 ATOM 845 N ND2 . ASN A 1 117 ? 21.459 0.773 10.970 1.00 30.20 ? 117 ASN E ND2 1 ATOM 846 N N . ASN A 1 118 ? 26.543 2.531 10.454 1.00 14.91 ? 118 ASN E N 1 ATOM 847 C CA . ASN A 1 118 ? 27.543 3.613 10.576 1.00 11.65 ? 118 ASN E CA 1 ATOM 848 C C . ASN A 1 118 ? 28.911 3.013 10.995 1.00 9.81 ? 118 ASN E C 1 ATOM 849 O O . ASN A 1 118 ? 28.998 1.865 11.470 1.00 9.59 ? 118 ASN E O 1 ATOM 850 C CB . ASN A 1 118 ? 27.074 4.755 11.478 1.00 9.61 ? 118 ASN E CB 1 ATOM 851 C CG . ASN A 1 118 ? 27.171 4.419 12.932 1.00 13.98 ? 118 ASN E CG 1 ATOM 852 O OD1 . ASN A 1 118 ? 28.191 4.046 13.532 1.00 13.63 ? 118 ASN E OD1 1 ATOM 853 N ND2 . ASN A 1 118 ? 26.040 4.431 13.635 1.00 17.49 ? 118 ASN E ND2 1 ATOM 854 N N . ASP A 1 119 ? 29.878 3.879 10.750 1.00 7.89 ? 119 ASP E N 1 ATOM 855 C CA . ASP A 1 119 ? 31.294 3.517 11.003 1.00 8.38 ? 119 ASP E CA 1 ATOM 856 C C . ASP A 1 119 ? 31.840 4.455 12.112 1.00 8.35 ? 119 ASP E C 1 ATOM 857 O O . ASP A 1 119 ? 33.094 4.516 12.212 1.00 7.40 ? 119 ASP E O 1 ATOM 858 C CB . ASP A 1 119 ? 32.168 3.526 9.769 1.00 9.43 ? 119 ASP E CB 1 ATOM 859 C CG . ASP A 1 119 ? 31.664 2.743 8.536 1.00 9.67 ? 119 ASP E CG 1 ATOM 860 O OD1 . ASP A 1 119 ? 31.284 1.591 8.809 1.00 11.13 ? 119 ASP E OD1 1 ATOM 861 O OD2 . ASP A 1 119 ? 31.609 3.274 7.417 1.00 6.62 ? 119 ASP E OD2 1 ATOM 862 N N . GLY A 1 120 ? 30.934 5.066 12.856 1.00 7.06 ? 120 GLY E N 1 ATOM 863 C CA . GLY A 1 120 ? 31.336 5.940 13.969 1.00 6.08 ? 120 GLY E CA 1 ATOM 864 C C . GLY A 1 120 ? 30.483 7.239 13.935 1.00 9.96 ? 120 GLY E C 1 ATOM 865 O O . GLY A 1 120 ? 29.492 7.312 13.185 1.00 7.34 ? 120 GLY E O 1 ATOM 866 N N . LEU A 1 121 ? 30.906 8.223 14.709 1.00 5.22 ? 121 LEU E N 1 ATOM 867 C CA . LEU A 1 121 ? 30.166 9.476 14.851 1.00 6.69 ? 121 LEU E CA 1 ATOM 868 C C . LEU A 1 121 ? 31.041 10.704 14.601 1.00 5.60 ? 121 LEU E C 1 ATOM 869 O O . LEU A 1 121 ? 32.250 10.648 14.873 1.00 7.68 ? 121 LEU E O 1 ATOM 870 C CB . LEU A 1 121 ? 29.686 9.512 16.327 1.00 8.97 ? 121 LEU E CB 1 ATOM 871 C CG . LEU A 1 121 ? 28.309 9.013 16.690 1.00 14.67 ? 121 LEU E CG 1 ATOM 872 C CD1 . LEU A 1 121 ? 28.247 7.512 16.440 1.00 18.13 ? 121 LEU E CD1 1 ATOM 873 C CD2 . LEU A 1 121 ? 28.015 9.242 18.172 1.00 16.01 ? 121 LEU E CD2 1 ATOM 874 N N . LEU A 1 122 ? 30.427 11.767 14.099 1.00 5.66 ? 122 LEU E N 1 ATOM 875 C CA . LEU A 1 122 ? 31.173 13.059 13.964 1.00 3.75 ? 122 LEU E CA 1 ATOM 876 C C . LEU A 1 122 ? 30.372 14.010 14.862 1.00 5.40 ? 122 LEU E C 1 ATOM 877 O O . LEU A 1 122 ? 29.172 14.307 14.535 1.00 4.52 ? 122 LEU E O 1 ATOM 878 C CB . LEU A 1 122 ? 31.217 13.439 12.463 1.00 6.09 ? 122 LEU E CB 1 ATOM 879 C CG . LEU A 1 122 ? 32.086 14.665 12.177 1.00 7.68 ? 122 LEU E CG 1 ATOM 880 C CD1 . LEU A 1 122 ? 32.827 14.511 10.845 1.00 7.09 ? 122 LEU E CD1 1 ATOM 881 C CD2 . LEU A 1 122 ? 31.205 15.920 12.197 1.00 5.02 ? 122 LEU E CD2 1 ATOM 882 N N . GLY A 1 123 ? 30.948 14.444 15.956 1.00 4.96 ? 123 GLY E N 1 ATOM 883 C CA . GLY A 1 123 ? 30.284 15.291 16.934 1.00 5.42 ? 123 GLY E CA 1 ATOM 884 C C . GLY A 1 123 ? 30.294 16.752 16.455 1.00 6.17 ? 123 GLY E C 1 ATOM 885 O O . GLY A 1 123 ? 31.323 17.257 15.933 1.00 6.78 ? 123 GLY E O 1 ATOM 886 N N . LEU A 1 124 ? 29.140 17.389 16.639 1.00 3.63 ? 124 LEU E N 1 ATOM 887 C CA . LEU A 1 124 ? 28.977 18.790 16.265 1.00 5.63 ? 124 LEU E CA 1 ATOM 888 C C . LEU A 1 124 ? 28.484 19.664 17.435 1.00 7.74 ? 124 LEU E C 1 ATOM 889 O O . LEU A 1 124 ? 28.054 20.808 17.123 1.00 6.02 ? 124 LEU E O 1 ATOM 890 C CB . LEU A 1 124 ? 28.106 18.940 14.991 1.00 5.97 ? 124 LEU E CB 1 ATOM 891 C CG . LEU A 1 124 ? 28.734 18.378 13.734 1.00 9.91 ? 124 LEU E CG 1 ATOM 892 C CD1 . LEU A 1 124 ? 27.686 18.157 12.613 1.00 7.31 ? 124 LEU E CD1 1 ATOM 893 C CD2 . LEU A 1 124 ? 29.817 19.348 13.278 1.00 8.92 ? 124 LEU E CD2 1 ATOM 894 N N . ALA A 1 125 ? 28.486 19.180 18.630 1.00 4.71 ? 125 ALA E N 1 ATOM 895 C CA . ALA A 1 125 ? 28.226 19.964 19.841 1.00 6.27 ? 125 ALA E CA 1 ATOM 896 C C . ALA A 1 125 ? 29.472 20.864 20.044 1.00 6.98 ? 125 ALA E C 1 ATOM 897 O O . ALA A 1 125 ? 30.453 20.869 19.251 1.00 8.68 ? 125 ALA E O 1 ATOM 898 C CB . ALA A 1 125 ? 28.087 19.050 21.048 1.00 2.73 ? 125 ALA E CB 1 ATOM 899 N N . PHE A 1 126 ? 29.409 21.712 21.056 1.00 5.62 ? 126 PHE E N 1 ATOM 900 C CA . PHE A 1 126 ? 30.569 22.622 21.340 1.00 7.96 ? 126 PHE E CA 1 ATOM 901 C C . PHE A 1 126 ? 31.734 21.764 21.872 1.00 7.66 ? 126 PHE E C 1 ATOM 902 O O . PHE A 1 126 ? 31.544 20.757 22.595 1.00 7.72 ? 126 PHE E O 1 ATOM 903 C CB . PHE A 1 126 ? 30.059 23.626 22.397 1.00 6.68 ? 126 PHE E CB 1 ATOM 904 C CG . PHE A 1 126 ? 29.105 24.589 21.732 1.00 7.12 ? 126 PHE E CG 1 ATOM 905 C CD1 . PHE A 1 126 ? 27.752 24.312 21.744 1.00 6.21 ? 126 PHE E CD1 1 ATOM 906 C CD2 . PHE A 1 126 ? 29.610 25.736 21.152 1.00 11.13 ? 126 PHE E CD2 1 ATOM 907 C CE1 . PHE A 1 126 ? 26.891 25.219 21.120 1.00 9.48 ? 126 PHE E CE1 1 ATOM 908 C CE2 . PHE A 1 126 ? 28.744 26.664 20.532 1.00 12.95 ? 126 PHE E CE2 1 ATOM 909 C CZ . PHE A 1 126 ? 27.370 26.376 20.500 1.00 12.22 ? 126 PHE E CZ 1 ATOM 910 N N . SER A 1 127 ? 32.933 22.223 21.524 1.00 7.47 ? 127 SER E N 1 ATOM 911 C CA . SER A 1 127 ? 34.167 21.487 21.896 1.00 8.62 ? 127 SER E CA 1 ATOM 912 C C . SER A 1 127 ? 34.359 21.379 23.409 1.00 10.06 ? 127 SER E C 1 ATOM 913 O O . SER A 1 127 ? 35.149 20.473 23.785 1.00 10.32 ? 127 SER E O 1 ATOM 914 C CB . SER A 1 127 ? 35.381 22.154 21.233 1.00 8.16 ? 127 SER E CB 1 ATOM 915 O OG . SER A 1 127 ? 35.305 21.956 19.814 1.00 9.80 ? 127 SER E OG 1 ATOM 916 N N . SER A 1 128 ? 33.753 22.218 24.222 1.00 9.90 ? 128 SER E N 1 ATOM 917 C CA . SER A 1 128 ? 33.931 22.184 25.670 1.00 12.05 ? 128 SER E CA 1 ATOM 918 C C . SER A 1 128 ? 33.600 20.796 26.266 1.00 13.52 ? 128 SER E C 1 ATOM 919 O O . SER A 1 128 ? 34.052 20.507 27.418 1.00 12.13 ? 128 SER E O 1 ATOM 920 C CB . SER A 1 128 ? 33.084 23.212 26.449 1.00 16.20 ? 128 SER E CB 1 ATOM 921 O OG . SER A 1 128 ? 31.743 23.161 25.914 1.00 16.18 ? 128 SER E OG 1 ATOM 922 N N . ILE A 1 129 ? 32.817 20.029 25.479 1.00 9.85 ? 129 ILE E N 1 ATOM 923 C CA . ILE A 1 129 ? 32.483 18.699 26.012 1.00 10.24 ? 129 ILE E CA 1 ATOM 924 C C . ILE A 1 129 ? 33.140 17.524 25.285 1.00 9.33 ? 129 ILE E C 1 ATOM 925 O O . ILE A 1 129 ? 32.724 16.352 25.457 1.00 8.12 ? 129 ILE E O 1 ATOM 926 C CB . ILE A 1 129 ? 30.934 18.560 26.187 1.00 13.33 ? 129 ILE E CB 1 ATOM 927 C CG1 . ILE A 1 129 ? 30.151 18.661 24.848 1.00 8.38 ? 129 ILE E CG1 1 ATOM 928 C CG2 . ILE A 1 129 ? 30.492 19.576 27.274 1.00 13.19 ? 129 ILE E CG2 1 ATOM 929 C CD1 . ILE A 1 129 ? 28.750 17.983 24.915 1.00 8.03 ? 129 ILE E CD1 1 ATOM 930 N N . ASN A 1 130 ? 34.171 17.818 24.515 1.00 7.09 ? 130 ASN E N 1 ATOM 931 C CA . ASN A 1 130 ? 34.970 16.702 23.920 1.00 7.66 ? 130 ASN E CA 1 ATOM 932 C C . ASN A 1 130 ? 35.571 15.900 25.113 1.00 7.80 ? 130 ASN E C 1 ATOM 933 O O . ASN A 1 130 ? 36.026 16.493 26.117 1.00 7.10 ? 130 ASN E O 1 ATOM 934 C CB . ASN A 1 130 ? 36.057 17.316 23.018 1.00 8.96 ? 130 ASN E CB 1 ATOM 935 C CG . ASN A 1 130 ? 37.002 16.218 22.557 1.00 9.85 ? 130 ASN E CG 1 ATOM 936 O OD1 . ASN A 1 130 ? 38.092 16.084 23.126 1.00 5.98 ? 130 ASN E OD1 1 ATOM 937 N ND2 . ASN A 1 130 ? 36.600 15.513 21.495 1.00 9.89 ? 130 ASN E ND2 1 ATOM 938 N N . THR A 1 131 ? 35.623 14.574 25.045 1.00 7.22 ? 131 THR E N 1 ATOM 939 C CA . THR A 1 131 ? 36.085 13.712 26.142 1.00 7.54 ? 131 THR E CA 1 ATOM 940 C C . THR A 1 131 ? 37.586 13.325 26.119 1.00 7.88 ? 131 THR E C 1 ATOM 941 O O . THR A 1 131 ? 37.948 12.537 27.032 1.00 8.17 ? 131 THR E O 1 ATOM 942 C CB . THR A 1 131 ? 35.232 12.399 26.211 1.00 9.70 ? 131 THR E CB 1 ATOM 943 O OG1 . THR A 1 131 ? 35.637 11.547 25.092 1.00 8.41 ? 131 THR E OG1 1 ATOM 944 C CG2 . THR A 1 131 ? 33.710 12.606 26.120 1.00 11.43 ? 131 THR E CG2 1 ATOM 945 N N . VAL A 1 132 ? 38.319 13.870 25.157 1.00 6.04 ? 132 VAL E N 1 ATOM 946 C CA . VAL A 1 132 ? 39.751 13.488 25.088 1.00 7.46 ? 132 VAL E CA 1 ATOM 947 C C . VAL A 1 132 ? 40.533 13.977 26.316 1.00 7.77 ? 132 VAL E C 1 ATOM 948 O O . VAL A 1 132 ? 40.329 15.126 26.739 1.00 6.22 ? 132 VAL E O 1 ATOM 949 C CB . VAL A 1 132 ? 40.400 13.972 23.796 1.00 4.68 ? 132 VAL E CB 1 ATOM 950 C CG1 . VAL A 1 132 ? 41.933 13.676 23.837 1.00 7.25 ? 132 VAL E CG1 1 ATOM 951 C CG2 . VAL A 1 132 ? 39.766 13.214 22.631 1.00 6.77 ? 132 VAL E CG2 1 ATOM 952 N N . GLN A 1 133 ? 41.342 13.067 26.808 1.00 8.96 ? 133 GLN E N 1 ATOM 953 C CA . GLN A 1 133 ? 42.201 13.373 27.995 1.00 11.98 ? 133 GLN E CA 1 ATOM 954 C C . GLN A 1 133 ? 43.662 13.046 27.635 1.00 11.37 ? 133 GLN E C 1 ATOM 955 O O . GLN A 1 133 ? 43.865 12.126 26.845 1.00 9.42 ? 133 GLN E O 1 ATOM 956 C CB . GLN A 1 133 ? 41.721 12.546 29.189 1.00 20.38 ? 133 GLN E CB 1 ATOM 957 C CG . GLN A 1 133 ? 40.215 12.637 29.384 1.00 32.33 ? 133 GLN E CG 1 ATOM 958 C CD . GLN A 1 133 ? 39.657 11.835 30.533 1.00 42.45 ? 133 GLN E CD 1 ATOM 959 O OE1 . GLN A 1 133 ? 39.943 12.223 31.683 1.00 48.03 ? 133 GLN E OE1 1 ATOM 960 N NE2 . GLN A 1 133 ? 38.843 10.777 30.306 1.00 44.64 ? 133 GLN E NE2 1 ATOM 961 N N . PRO A 1 134 ? 44.644 13.771 28.162 1.00 11.71 ? 134 PRO E N 1 ATOM 962 C CA . PRO A 1 134 ? 44.496 14.832 29.161 1.00 14.04 ? 134 PRO E CA 1 ATOM 963 C C . PRO A 1 134 ? 44.090 16.215 28.667 1.00 14.73 ? 134 PRO E C 1 ATOM 964 O O . PRO A 1 134 ? 43.811 17.090 29.538 1.00 15.89 ? 134 PRO E O 1 ATOM 965 C CB . PRO A 1 134 ? 45.906 14.885 29.819 1.00 11.28 ? 134 PRO E CB 1 ATOM 966 C CG . PRO A 1 134 ? 46.795 14.660 28.596 1.00 11.41 ? 134 PRO E CG 1 ATOM 967 C CD . PRO A 1 134 ? 46.080 13.466 27.876 1.00 11.53 ? 134 PRO E CD 1 ATOM 968 N N . GLN A 1 135 ? 44.147 16.442 27.384 1.00 13.77 ? 135 GLN E N 1 ATOM 969 C CA . GLN A 1 135 ? 43.711 17.764 26.839 1.00 15.73 ? 135 GLN E CA 1 ATOM 970 C C . GLN A 1 135 ? 42.635 17.518 25.764 1.00 15.35 ? 135 GLN E C 1 ATOM 971 O O . GLN A 1 135 ? 42.945 16.817 24.774 1.00 13.60 ? 135 GLN E O 1 ATOM 972 C CB . GLN A 1 135 ? 44.874 18.566 26.312 1.00 18.20 ? 135 GLN E CB 1 ATOM 973 C CG . GLN A 1 135 ? 45.946 18.639 27.445 1.00 23.07 ? 135 GLN E CG 1 ATOM 974 C CD . GLN A 1 135 ? 47.044 19.586 27.010 1.00 27.80 ? 135 GLN E CD 1 ATOM 975 O OE1 . GLN A 1 135 ? 47.455 20.470 27.758 1.00 28.63 ? 135 GLN E OE1 1 ATOM 976 N NE2 . GLN A 1 135 ? 47.484 19.420 25.759 1.00 32.57 ? 135 GLN E NE2 1 ATOM 977 N N . SER A 1 136 ? 41.474 18.104 26.009 1.00 13.57 ? 136 SER E N 1 ATOM 978 C CA . SER A 1 136 ? 40.381 17.919 25.023 1.00 12.50 ? 136 SER E CA 1 ATOM 979 C C . SER A 1 136 ? 40.714 18.566 23.693 1.00 11.87 ? 136 SER E C 1 ATOM 980 O O . SER A 1 136 ? 41.570 19.474 23.529 1.00 12.52 ? 136 SER E O 1 ATOM 981 C CB . SER A 1 136 ? 39.087 18.405 25.662 1.00 13.43 ? 136 SER E CB 1 ATOM 982 O OG . SER A 1 136 ? 39.243 19.805 25.837 1.00 20.23 ? 136 SER E OG 1 ATOM 983 N N . GLN A 1 137 ? 40.056 18.045 22.647 1.00 8.44 ? 137 GLN E N 1 ATOM 984 C CA . GLN A 1 137 ? 40.290 18.457 21.260 1.00 9.38 ? 137 GLN E CA 1 ATOM 985 C C . GLN A 1 137 ? 39.067 19.182 20.676 1.00 9.13 ? 137 GLN E C 1 ATOM 986 O O . GLN A 1 137 ? 37.984 19.094 21.246 1.00 10.36 ? 137 GLN E O 1 ATOM 987 C CB . GLN A 1 137 ? 40.590 17.221 20.397 1.00 8.19 ? 137 GLN E CB 1 ATOM 988 C CG . GLN A 1 137 ? 41.712 16.342 21.009 1.00 8.88 ? 137 GLN E CG 1 ATOM 989 C CD . GLN A 1 137 ? 43.066 17.088 20.892 1.00 14.21 ? 137 GLN E CD 1 ATOM 990 O OE1 . GLN A 1 137 ? 43.485 17.486 19.791 1.00 15.40 ? 137 GLN E OE1 1 ATOM 991 N NE2 . GLN A 1 137 ? 43.652 17.182 22.098 1.00 15.37 ? 137 GLN E NE2 1 ATOM 992 N N . THR A 1 138 ? 39.302 19.855 19.546 1.00 8.41 ? 138 THR E N 1 ATOM 993 C CA . THR A 1 138 ? 38.169 20.542 18.904 1.00 8.87 ? 138 THR E CA 1 ATOM 994 C C . THR A 1 138 ? 37.419 19.669 17.899 1.00 8.43 ? 138 THR E C 1 ATOM 995 O O . THR A 1 138 ? 37.990 18.804 17.201 1.00 9.10 ? 138 THR E O 1 ATOM 996 C CB . THR A 1 138 ? 38.636 21.898 18.223 1.00 10.30 ? 138 THR E CB 1 ATOM 997 O OG1 . THR A 1 138 ? 39.588 21.507 17.204 1.00 12.36 ? 138 THR E OG1 1 ATOM 998 C CG2 . THR A 1 138 ? 39.181 22.827 19.326 1.00 15.29 ? 138 THR E CG2 1 ATOM 999 N N . THR A 1 139 ? 36.117 19.943 17.780 1.00 7.19 ? 139 THR E N 1 ATOM 1000 C CA . THR A 1 139 ? 35.298 19.242 16.803 1.00 7.49 ? 139 THR E CA 1 ATOM 1001 C C . THR A 1 139 ? 35.723 19.666 15.407 1.00 8.37 ? 139 THR E C 1 ATOM 1002 O O . THR A 1 139 ? 36.343 20.723 15.184 1.00 10.12 ? 139 THR E O 1 ATOM 1003 C CB . THR A 1 139 ? 33.760 19.621 17.005 1.00 7.41 ? 139 THR E CB 1 ATOM 1004 O OG1 . THR A 1 139 ? 33.724 21.019 16.540 1.00 10.58 ? 139 THR E OG1 1 ATOM 1005 C CG2 . THR A 1 139 ? 33.260 19.453 18.432 1.00 6.92 ? 139 THR E CG2 1 ATOM 1006 N N . PHE A 1 140 ? 35.310 18.881 14.408 1.00 7.61 ? 140 PHE E N 1 ATOM 1007 C CA . PHE A 1 140 ? 35.605 19.216 13.001 1.00 7.26 ? 140 PHE E CA 1 ATOM 1008 C C . PHE A 1 140 ? 35.171 20.668 12.740 1.00 8.08 ? 140 PHE E C 1 ATOM 1009 O O . PHE A 1 140 ? 35.884 21.398 12.040 1.00 8.76 ? 140 PHE E O 1 ATOM 1010 C CB . PHE A 1 140 ? 34.734 18.293 12.110 1.00 9.60 ? 140 PHE E CB 1 ATOM 1011 C CG . PHE A 1 140 ? 34.774 18.659 10.652 1.00 9.01 ? 140 PHE E CG 1 ATOM 1012 C CD1 . PHE A 1 140 ? 35.921 18.430 9.896 1.00 8.23 ? 140 PHE E CD1 1 ATOM 1013 C CD2 . PHE A 1 140 ? 33.650 19.264 10.084 1.00 7.73 ? 140 PHE E CD2 1 ATOM 1014 C CE1 . PHE A 1 140 ? 35.963 18.758 8.536 1.00 10.03 ? 140 PHE E CE1 1 ATOM 1015 C CE2 . PHE A 1 140 ? 33.689 19.673 8.723 1.00 10.29 ? 140 PHE E CE2 1 ATOM 1016 C CZ . PHE A 1 140 ? 34.837 19.400 7.971 1.00 11.35 ? 140 PHE E CZ 1 ATOM 1017 N N . PHE A 1 141 ? 33.954 20.955 13.216 1.00 4.14 ? 141 PHE E N 1 ATOM 1018 C CA . PHE A 1 141 ? 33.411 22.315 12.927 1.00 5.25 ? 141 PHE E CA 1 ATOM 1019 C C . PHE A 1 141 ? 34.268 23.404 13.559 1.00 7.56 ? 141 PHE E C 1 ATOM 1020 O O . PHE A 1 141 ? 34.564 24.424 12.901 1.00 9.63 ? 141 PHE E O 1 ATOM 1021 C CB . PHE A 1 141 ? 31.936 22.384 13.370 1.00 9.06 ? 141 PHE E CB 1 ATOM 1022 C CG . PHE A 1 141 ? 31.336 23.769 13.231 1.00 10.65 ? 141 PHE E CG 1 ATOM 1023 C CD1 . PHE A 1 141 ? 31.072 24.507 14.369 1.00 12.04 ? 141 PHE E CD1 1 ATOM 1024 C CD2 . PHE A 1 141 ? 31.117 24.310 11.946 1.00 13.94 ? 141 PHE E CD2 1 ATOM 1025 C CE1 . PHE A 1 141 ? 30.554 25.806 14.268 1.00 13.80 ? 141 PHE E CE1 1 ATOM 1026 C CE2 . PHE A 1 141 ? 30.598 25.624 11.831 1.00 12.64 ? 141 PHE E CE2 1 ATOM 1027 C CZ . PHE A 1 141 ? 30.274 26.327 12.995 1.00 12.39 ? 141 PHE E CZ 1 ATOM 1028 N N . ASP A 1 142 ? 34.639 23.165 14.852 1.00 6.79 ? 142 ASP E N 1 ATOM 1029 C CA . ASP A 1 142 ? 35.479 24.187 15.515 1.00 9.65 ? 142 ASP E CA 1 ATOM 1030 C C . ASP A 1 142 ? 36.806 24.258 14.788 1.00 11.22 ? 142 ASP E C 1 ATOM 1031 O O . ASP A 1 142 ? 37.387 25.377 14.761 1.00 12.60 ? 142 ASP E O 1 ATOM 1032 C CB . ASP A 1 142 ? 35.648 23.979 17.032 1.00 10.49 ? 142 ASP E CB 1 ATOM 1033 C CG . ASP A 1 142 ? 34.439 24.435 17.814 1.00 17.36 ? 142 ASP E CG 1 ATOM 1034 O OD1 . ASP A 1 142 ? 34.033 23.912 18.864 1.00 17.64 ? 142 ASP E OD1 1 ATOM 1035 O OD2 . ASP A 1 142 ? 33.771 25.376 17.309 1.00 19.12 ? 142 ASP E OD2 1 ATOM 1036 N N . THR A 1 143 ? 37.284 23.133 14.284 1.00 8.89 ? 143 THR E N 1 ATOM 1037 C CA . THR A 1 143 ? 38.576 23.163 13.585 1.00 9.82 ? 143 THR E CA 1 ATOM 1038 C C . THR A 1 143 ? 38.572 24.011 12.319 1.00 11.39 ? 143 THR E C 1 ATOM 1039 O O . THR A 1 143 ? 39.563 24.728 12.047 1.00 10.67 ? 143 THR E O 1 ATOM 1040 C CB . THR A 1 143 ? 39.100 21.705 13.249 1.00 9.42 ? 143 THR E CB 1 ATOM 1041 O OG1 . THR A 1 143 ? 39.261 21.027 14.535 1.00 8.79 ? 143 THR E OG1 1 ATOM 1042 C CG2 . THR A 1 143 ? 40.379 21.753 12.436 1.00 11.81 ? 143 THR E CG2 1 ATOM 1043 N N . VAL A 1 144 ? 37.507 23.924 11.517 1.00 9.93 ? 144 VAL E N 1 ATOM 1044 C CA . VAL A 1 144 ? 37.464 24.613 10.235 1.00 11.02 ? 144 VAL E CA 1 ATOM 1045 C C . VAL A 1 144 ? 36.736 25.940 10.281 1.00 9.90 ? 144 VAL E C 1 ATOM 1046 O O . VAL A 1 144 ? 36.818 26.690 9.294 1.00 9.82 ? 144 VAL E O 1 ATOM 1047 C CB . VAL A 1 144 ? 36.799 23.668 9.168 1.00 14.69 ? 144 VAL E CB 1 ATOM 1048 C CG1 . VAL A 1 144 ? 37.566 22.368 9.041 1.00 13.21 ? 144 VAL E CG1 1 ATOM 1049 C CG2 . VAL A 1 144 ? 35.300 23.530 9.443 1.00 9.92 ? 144 VAL E CG2 1 ATOM 1050 N N . LYS A 1 145 ? 36.085 26.222 11.360 1.00 10.31 ? 145 LYS E N 1 ATOM 1051 C CA . LYS A 1 145 ? 35.227 27.417 11.480 1.00 14.67 ? 145 LYS E CA 1 ATOM 1052 C C . LYS A 1 145 ? 35.786 28.717 10.908 1.00 17.85 ? 145 LYS E C 1 ATOM 1053 O O . LYS A 1 145 ? 35.099 29.476 10.194 1.00 16.21 ? 145 LYS E O 1 ATOM 1054 C CB . LYS A 1 145 ? 35.057 27.561 12.999 1.00 16.91 ? 145 LYS E CB 1 ATOM 1055 C CG . LYS A 1 145 ? 34.234 28.640 13.577 1.00 22.41 ? 145 LYS E CG 1 ATOM 1056 C CD . LYS A 1 145 ? 33.702 28.320 14.965 1.00 22.85 ? 145 LYS E CD 1 ATOM 1057 C CE . LYS A 1 145 ? 34.714 28.775 16.004 1.00 29.90 ? 145 LYS E CE 1 ATOM 1058 N NZ . LYS A 1 145 ? 34.185 28.464 17.367 1.00 36.29 ? 145 LYS E NZ 1 ATOM 1059 N N . SER A 1 146 ? 37.015 28.989 11.326 1.00 18.09 ? 146 SER E N 1 ATOM 1060 C CA . SER A 1 146 ? 37.701 30.258 10.980 1.00 20.13 ? 146 SER E CA 1 ATOM 1061 C C . SER A 1 146 ? 37.981 30.316 9.484 1.00 20.71 ? 146 SER E C 1 ATOM 1062 O O . SER A 1 146 ? 38.086 31.463 8.965 1.00 20.99 ? 146 SER E O 1 ATOM 1063 C CB . SER A 1 146 ? 38.938 30.467 11.832 1.00 19.61 ? 146 SER E CB 1 ATOM 1064 O OG . SER A 1 146 ? 40.044 29.686 11.370 1.00 25.66 ? 146 SER E OG 1 ATOM 1065 N N . SER A 1 147 ? 37.993 29.148 8.828 1.00 17.93 ? 147 SER E N 1 ATOM 1066 C CA . SER A 1 147 ? 38.221 29.211 7.373 1.00 17.22 ? 147 SER E CA 1 ATOM 1067 C C . SER A 1 147 ? 36.934 29.238 6.550 1.00 16.24 ? 147 SER E C 1 ATOM 1068 O O . SER A 1 147 ? 37.052 29.426 5.308 1.00 16.86 ? 147 SER E O 1 ATOM 1069 C CB . SER A 1 147 ? 39.202 28.124 6.959 1.00 24.95 ? 147 SER E CB 1 ATOM 1070 O OG . SER A 1 147 ? 38.462 26.907 6.869 1.00 31.23 ? 147 SER E OG 1 ATOM 1071 N N . LEU A 1 148 ? 35.780 29.067 7.169 1.00 12.53 ? 148 LEU E N 1 ATOM 1072 C CA . LEU A 1 148 ? 34.520 29.071 6.400 1.00 11.26 ? 148 LEU E CA 1 ATOM 1073 C C . LEU A 1 148 ? 34.096 30.514 6.086 1.00 12.63 ? 148 LEU E C 1 ATOM 1074 O O . LEU A 1 148 ? 34.363 31.451 6.891 1.00 12.44 ? 148 LEU E O 1 ATOM 1075 C CB . LEU A 1 148 ? 33.470 28.382 7.323 1.00 8.88 ? 148 LEU E CB 1 ATOM 1076 C CG . LEU A 1 148 ? 33.693 26.911 7.592 1.00 6.34 ? 148 LEU E CG 1 ATOM 1077 C CD1 . LEU A 1 148 ? 32.521 26.362 8.423 1.00 8.31 ? 148 LEU E CD1 1 ATOM 1078 C CD2 . LEU A 1 148 ? 33.752 26.064 6.315 1.00 9.86 ? 148 LEU E CD2 1 ATOM 1079 N N . ALA A 1 149 ? 33.347 30.655 4.994 1.00 11.57 ? 149 ALA E N 1 ATOM 1080 C CA . ALA A 1 149 ? 32.811 32.009 4.662 1.00 13.36 ? 149 ALA E CA 1 ATOM 1081 C C . ALA A 1 149 ? 32.006 32.556 5.818 1.00 13.06 ? 149 ALA E C 1 ATOM 1082 O O . ALA A 1 149 ? 32.042 33.786 6.114 1.00 15.74 ? 149 ALA E O 1 ATOM 1083 C CB . ALA A 1 149 ? 31.999 31.878 3.364 1.00 12.38 ? 149 ALA E CB 1 ATOM 1084 N N . GLN A 1 150 ? 31.205 31.739 6.523 1.00 10.70 ? 150 GLN E N 1 ATOM 1085 C CA . GLN A 1 150 ? 30.402 32.110 7.692 1.00 11.06 ? 150 GLN E CA 1 ATOM 1086 C C . GLN A 1 150 ? 30.615 30.965 8.711 1.00 10.00 ? 150 GLN E C 1 ATOM 1087 O O . GLN A 1 150 ? 30.617 29.848 8.189 1.00 8.55 ? 150 GLN E O 1 ATOM 1088 C CB . GLN A 1 150 ? 28.880 32.273 7.509 1.00 15.47 ? 150 GLN E CB 1 ATOM 1089 C CG . GLN A 1 150 ? 28.683 33.402 6.465 1.00 27.96 ? 150 GLN E CG 1 ATOM 1090 C CD . GLN A 1 150 ? 27.204 33.671 6.307 1.00 33.92 ? 150 GLN E CD 1 ATOM 1091 O OE1 . GLN A 1 150 ? 26.632 34.317 7.189 1.00 38.36 ? 150 GLN E OE1 1 ATOM 1092 N NE2 . GLN A 1 150 ? 26.654 33.142 5.206 1.00 37.10 ? 150 GLN E NE2 1 ATOM 1093 N N . PRO A 1 151 ? 30.752 31.280 9.976 1.00 9.70 ? 151 PRO E N 1 ATOM 1094 C CA . PRO A 1 151 ? 31.021 30.242 10.983 1.00 7.57 ? 151 PRO E CA 1 ATOM 1095 C C . PRO A 1 151 ? 29.713 29.585 11.454 1.00 5.29 ? 151 PRO E C 1 ATOM 1096 O O . PRO A 1 151 ? 29.270 29.753 12.592 1.00 8.40 ? 151 PRO E O 1 ATOM 1097 C CB . PRO A 1 151 ? 31.697 31.033 12.107 1.00 9.72 ? 151 PRO E CB 1 ATOM 1098 C CG . PRO A 1 151 ? 31.093 32.410 11.993 1.00 9.93 ? 151 PRO E CG 1 ATOM 1099 C CD . PRO A 1 151 ? 30.742 32.661 10.530 1.00 9.95 ? 151 PRO E CD 1 ATOM 1100 N N . LEU A 1 152 ? 29.095 28.872 10.540 1.00 5.87 ? 152 LEU E N 1 ATOM 1101 C CA . LEU A 1 152 ? 27.801 28.189 10.814 1.00 7.26 ? 152 LEU E CA 1 ATOM 1102 C C . LEU A 1 152 ? 27.675 26.935 9.933 1.00 6.48 ? 152 LEU E C 1 ATOM 1103 O O . LEU A 1 152 ? 28.443 26.778 8.982 1.00 6.98 ? 152 LEU E O 1 ATOM 1104 C CB . LEU A 1 152 ? 26.664 29.193 10.476 1.00 7.01 ? 152 LEU E CB 1 ATOM 1105 C CG . LEU A 1 152 ? 26.551 29.727 9.061 1.00 9.53 ? 152 LEU E CG 1 ATOM 1106 C CD1 . LEU A 1 152 ? 25.865 28.704 8.128 1.00 5.59 ? 152 LEU E CD1 1 ATOM 1107 C CD2 . LEU A 1 152 ? 25.720 31.017 9.107 1.00 7.31 ? 152 LEU E CD2 1 ATOM 1108 N N . PHE A 1 153 ? 26.730 26.072 10.298 1.00 6.01 ? 153 PHE E N 1 ATOM 1109 C CA . PHE A 1 153 ? 26.406 24.880 9.489 1.00 6.97 ? 153 PHE E CA 1 ATOM 1110 C C . PHE A 1 153 ? 24.865 24.852 9.521 1.00 6.54 ? 153 PHE E C 1 ATOM 1111 O O . PHE A 1 153 ? 24.316 25.519 10.418 1.00 7.97 ? 153 PHE E O 1 ATOM 1112 C CB . PHE A 1 153 ? 27.085 23.568 9.863 1.00 8.21 ? 153 PHE E CB 1 ATOM 1113 C CG . PHE A 1 153 ? 26.764 23.042 11.247 1.00 6.87 ? 153 PHE E CG 1 ATOM 1114 C CD1 . PHE A 1 153 ? 27.498 23.493 12.327 1.00 6.00 ? 153 PHE E CD1 1 ATOM 1115 C CD2 . PHE A 1 153 ? 25.751 22.116 11.445 1.00 5.73 ? 153 PHE E CD2 1 ATOM 1116 C CE1 . PHE A 1 153 ? 27.236 23.037 13.642 1.00 9.35 ? 153 PHE E CE1 1 ATOM 1117 C CE2 . PHE A 1 153 ? 25.471 21.638 12.723 1.00 8.10 ? 153 PHE E CE2 1 ATOM 1118 C CZ . PHE A 1 153 ? 26.189 22.118 13.848 1.00 7.21 ? 153 PHE E CZ 1 ATOM 1119 N N . ALA A 1 154 ? 24.267 24.148 8.569 1.00 7.41 ? 154 ALA E N 1 ATOM 1120 C CA . ALA A 1 154 ? 22.772 24.158 8.589 1.00 7.55 ? 154 ALA E CA 1 ATOM 1121 C C . ALA A 1 154 ? 22.408 22.735 8.183 1.00 7.28 ? 154 ALA E C 1 ATOM 1122 O O . ALA A 1 154 ? 23.259 22.144 7.497 1.00 9.50 ? 154 ALA E O 1 ATOM 1123 C CB . ALA A 1 154 ? 22.179 25.196 7.663 1.00 7.15 ? 154 ALA E CB 1 ATOM 1124 N N . VAL A 1 155 ? 21.223 22.332 8.606 1.00 6.84 ? 155 VAL E N 1 ATOM 1125 C CA . VAL A 1 155 ? 20.841 20.949 8.237 1.00 6.86 ? 155 VAL E CA 1 ATOM 1126 C C . VAL A 1 155 ? 19.390 20.859 7.769 1.00 6.98 ? 155 VAL E C 1 ATOM 1127 O O . VAL A 1 155 ? 18.510 21.519 8.328 1.00 6.90 ? 155 VAL E O 1 ATOM 1128 C CB . VAL A 1 155 ? 21.085 20.014 9.436 1.00 13.23 ? 155 VAL E CB 1 ATOM 1129 C CG1 . VAL A 1 155 ? 20.335 20.463 10.657 1.00 13.99 ? 155 VAL E CG1 1 ATOM 1130 C CG2 . VAL A 1 155 ? 20.676 18.568 9.182 1.00 13.08 ? 155 VAL E CG2 1 ATOM 1131 N N . ALA A 1 156 ? 19.251 19.986 6.762 1.00 7.71 ? 156 ALA E N 1 ATOM 1132 C CA . ALA A 1 156 ? 17.914 19.631 6.272 1.00 6.43 ? 156 ALA E CA 1 ATOM 1133 C C . ALA A 1 156 ? 17.914 18.084 6.317 1.00 8.06 ? 156 ALA E C 1 ATOM 1134 O O . ALA A 1 156 ? 18.555 17.459 5.491 1.00 7.55 ? 156 ALA E O 1 ATOM 1135 C CB . ALA A 1 156 ? 17.634 20.150 4.882 1.00 9.06 ? 156 ALA E CB 1 ATOM 1136 N N . LEU A 1 157 ? 17.283 17.521 7.310 1.00 7.68 ? 157 LEU E N 1 ATOM 1137 C CA . LEU A 1 157 ? 17.077 16.073 7.433 1.00 8.02 ? 157 LEU E CA 1 ATOM 1138 C C . LEU A 1 157 ? 15.691 15.833 6.803 1.00 9.70 ? 157 LEU E C 1 ATOM 1139 O O . LEU A 1 157 ? 14.767 16.587 7.180 1.00 10.04 ? 157 LEU E O 1 ATOM 1140 C CB . LEU A 1 157 ? 17.161 15.564 8.874 1.00 8.18 ? 157 LEU E CB 1 ATOM 1141 C CG . LEU A 1 157 ? 18.419 15.753 9.696 1.00 9.87 ? 157 LEU E CG 1 ATOM 1142 C CD1 . LEU A 1 157 ? 18.318 14.992 11.042 1.00 8.40 ? 157 LEU E CD1 1 ATOM 1143 C CD2 . LEU A 1 157 ? 19.661 15.245 8.968 1.00 6.45 ? 157 LEU E CD2 1 ATOM 1144 N N . LYS A 1 158 ? 15.559 14.781 5.998 1.00 9.64 ? 158 LYS E N 1 ATOM 1145 C CA . LYS A 1 158 ? 14.236 14.508 5.375 1.00 10.31 ? 158 LYS E CA 1 ATOM 1146 C C . LYS A 1 158 ? 13.691 13.127 5.669 1.00 12.13 ? 158 LYS E C 1 ATOM 1147 O O . LYS A 1 158 ? 14.438 12.220 6.070 1.00 11.77 ? 158 LYS E O 1 ATOM 1148 C CB . LYS A 1 158 ? 14.428 14.623 3.852 1.00 10.50 ? 158 LYS E CB 1 ATOM 1149 C CG . LYS A 1 158 ? 14.986 16.047 3.588 1.00 16.59 ? 158 LYS E CG 1 ATOM 1150 C CD . LYS A 1 158 ? 14.142 16.601 2.449 1.00 25.90 ? 158 LYS E CD 1 ATOM 1151 C CE . LYS A 1 158 ? 15.108 17.069 1.376 1.00 32.53 ? 158 LYS E CE 1 ATOM 1152 N NZ . LYS A 1 158 ? 15.357 18.525 1.653 1.00 37.76 ? 158 LYS E NZ 1 ATOM 1153 N N . HIS A 1 159 ? 12.401 12.925 5.387 1.00 9.56 ? 159 HIS E N 1 ATOM 1154 C CA . HIS A 1 159 ? 11.778 11.597 5.604 1.00 10.09 ? 159 HIS E CA 1 ATOM 1155 C C . HIS A 1 159 ? 12.001 10.754 4.347 1.00 11.68 ? 159 HIS E C 1 ATOM 1156 O O . HIS A 1 159 ? 11.568 11.070 3.209 1.00 10.37 ? 159 HIS E O 1 ATOM 1157 C CB . HIS A 1 159 ? 10.285 11.796 5.936 1.00 14.44 ? 159 HIS E CB 1 ATOM 1158 C CG . HIS A 1 159 ? 9.620 10.463 6.123 1.00 16.64 ? 159 HIS E CG 1 ATOM 1159 N ND1 . HIS A 1 159 ? 10.066 9.506 6.978 1.00 17.01 ? 159 HIS E ND1 1 ATOM 1160 C CD2 . HIS A 1 159 ? 8.479 9.993 5.524 1.00 20.25 ? 159 HIS E CD2 1 ATOM 1161 C CE1 . HIS A 1 159 ? 9.248 8.451 6.884 1.00 23.32 ? 159 HIS E CE1 1 ATOM 1162 N NE2 . HIS A 1 159 ? 8.270 8.729 6.039 1.00 20.75 ? 159 HIS E NE2 1 ATOM 1163 N N . GLN A 1 160 ? 12.772 9.688 4.542 1.00 11.31 ? 160 GLN E N 1 ATOM 1164 C CA . GLN A 1 160 ? 13.130 8.749 3.457 1.00 13.66 ? 160 GLN E CA 1 ATOM 1165 C C . GLN A 1 160 ? 13.569 9.376 2.152 1.00 12.73 ? 160 GLN E C 1 ATOM 1166 O O . GLN A 1 160 ? 13.182 8.967 1.033 1.00 13.72 ? 160 GLN E O 1 ATOM 1167 C CB . GLN A 1 160 ? 11.964 7.711 3.296 1.00 19.05 ? 160 GLN E CB 1 ATOM 1168 C CG . GLN A 1 160 ? 11.946 6.893 4.616 1.00 27.91 ? 160 GLN E CG 1 ATOM 1169 C CD . GLN A 1 160 ? 13.159 5.999 4.819 1.00 31.57 ? 160 GLN E CD 1 ATOM 1170 O OE1 . GLN A 1 160 ? 13.209 4.959 4.125 1.00 35.50 ? 160 GLN E OE1 1 ATOM 1171 N NE2 . GLN A 1 160 ? 14.168 6.258 5.668 1.00 25.80 ? 160 GLN E NE2 1 ATOM 1172 N N . GLN A 1 161 ? 14.405 10.393 2.223 1.00 11.40 ? 161 GLN E N 1 ATOM 1173 C CA . GLN A 1 161 ? 14.984 11.078 1.079 1.00 11.76 ? 161 GLN E CA 1 ATOM 1174 C C . GLN A 1 161 ? 16.326 11.652 1.601 1.00 10.18 ? 161 GLN E C 1 ATOM 1175 O O . GLN A 1 161 ? 16.482 11.903 2.795 1.00 10.26 ? 161 GLN E O 1 ATOM 1176 C CB . GLN A 1 161 ? 14.218 12.193 0.413 1.00 15.65 ? 161 GLN E CB 1 ATOM 1177 C CG . GLN A 1 161 ? 12.720 12.038 0.296 1.00 26.07 ? 161 GLN E CG 1 ATOM 1178 C CD . GLN A 1 161 ? 12.076 13.421 0.339 1.00 32.99 ? 161 GLN E CD 1 ATOM 1179 O OE1 . GLN A 1 161 ? 12.460 14.280 -0.456 1.00 33.41 ? 161 GLN E OE1 1 ATOM 1180 N NE2 . GLN A 1 161 ? 11.167 13.577 1.311 1.00 36.15 ? 161 GLN E NE2 1 ATOM 1181 N N . PRO A 1 162 ? 17.224 11.815 0.635 1.00 11.43 ? 162 PRO E N 1 ATOM 1182 C CA . PRO A 1 162 ? 18.559 12.384 0.937 1.00 9.86 ? 162 PRO E CA 1 ATOM 1183 C C . PRO A 1 162 ? 18.377 13.827 1.416 1.00 9.99 ? 162 PRO E C 1 ATOM 1184 O O . PRO A 1 162 ? 17.511 14.546 0.866 1.00 9.23 ? 162 PRO E O 1 ATOM 1185 C CB . PRO A 1 162 ? 19.277 12.393 -0.422 1.00 10.60 ? 162 PRO E CB 1 ATOM 1186 C CG . PRO A 1 162 ? 18.558 11.281 -1.158 1.00 14.70 ? 162 PRO E CG 1 ATOM 1187 C CD . PRO A 1 162 ? 17.081 11.574 -0.813 1.00 11.73 ? 162 PRO E CD 1 ATOM 1188 N N . GLY A 1 163 ? 19.238 14.219 2.337 1.00 8.51 ? 163 GLY E N 1 ATOM 1189 C CA . GLY A 1 163 ? 19.182 15.614 2.842 1.00 6.06 ? 163 GLY E CA 1 ATOM 1190 C C . GLY A 1 163 ? 20.606 16.186 2.771 1.00 8.12 ? 163 GLY E C 1 ATOM 1191 O O . GLY A 1 163 ? 21.496 15.590 2.120 1.00 7.14 ? 163 GLY E O 1 ATOM 1192 N N . VAL A 1 164 ? 20.777 17.334 3.426 1.00 7.41 ? 164 VAL E N 1 ATOM 1193 C CA . VAL A 1 164 ? 22.136 17.932 3.315 1.00 7.84 ? 164 VAL E CA 1 ATOM 1194 C C . VAL A 1 164 ? 22.544 18.506 4.679 1.00 7.03 ? 164 VAL E C 1 ATOM 1195 O O . VAL A 1 164 ? 21.686 18.798 5.523 1.00 9.46 ? 164 VAL E O 1 ATOM 1196 C CB . VAL A 1 164 ? 22.146 19.076 2.270 1.00 10.88 ? 164 VAL E CB 1 ATOM 1197 C CG1 . VAL A 1 164 ? 21.961 18.624 0.817 1.00 11.41 ? 164 VAL E CG1 1 ATOM 1198 C CG2 . VAL A 1 164 ? 21.156 20.201 2.651 1.00 10.79 ? 164 VAL E CG2 1 ATOM 1199 N N . TYR A 1 165 ? 23.838 18.635 4.723 1.00 6.52 ? 165 TYR E N 1 ATOM 1200 C CA . TYR A 1 165 ? 24.534 19.410 5.781 1.00 7.02 ? 165 TYR E CA 1 ATOM 1201 C C . TYR A 1 165 ? 25.229 20.520 4.972 1.00 6.45 ? 165 TYR E C 1 ATOM 1202 O O . TYR A 1 165 ? 26.115 20.179 4.140 1.00 6.45 ? 165 TYR E O 1 ATOM 1203 C CB . TYR A 1 165 ? 25.574 18.640 6.590 1.00 8.47 ? 165 TYR E CB 1 ATOM 1204 C CG . TYR A 1 165 ? 24.962 17.789 7.688 1.00 9.27 ? 165 TYR E CG 1 ATOM 1205 C CD1 . TYR A 1 165 ? 24.700 16.420 7.569 1.00 9.70 ? 165 TYR E CD1 1 ATOM 1206 C CD2 . TYR A 1 165 ? 24.591 18.434 8.871 1.00 12.52 ? 165 TYR E CD2 1 ATOM 1207 C CE1 . TYR A 1 165 ? 24.077 15.700 8.589 1.00 12.06 ? 165 TYR E CE1 1 ATOM 1208 C CE2 . TYR A 1 165 ? 24.046 17.711 9.925 1.00 11.18 ? 165 TYR E CE2 1 ATOM 1209 C CZ . TYR A 1 165 ? 23.757 16.372 9.780 1.00 12.69 ? 165 TYR E CZ 1 ATOM 1210 O OH . TYR A 1 165 ? 23.216 15.757 10.888 1.00 12.31 ? 165 TYR E OH 1 ATOM 1211 N N . ASP A 1 166 ? 24.916 21.780 5.208 1.00 5.07 ? 166 ASP E N 1 ATOM 1212 C CA . ASP A 1 166 ? 25.550 22.884 4.495 1.00 6.27 ? 166 ASP E CA 1 ATOM 1213 C C . ASP A 1 166 ? 26.587 23.434 5.473 1.00 8.29 ? 166 ASP E C 1 ATOM 1214 O O . ASP A 1 166 ? 26.179 23.783 6.588 1.00 10.78 ? 166 ASP E O 1 ATOM 1215 C CB . ASP A 1 166 ? 24.606 24.026 4.103 1.00 5.76 ? 166 ASP E CB 1 ATOM 1216 C CG . ASP A 1 166 ? 23.565 23.602 3.073 1.00 8.00 ? 166 ASP E CG 1 ATOM 1217 O OD1 . ASP A 1 166 ? 22.354 23.946 3.154 1.00 11.35 ? 166 ASP E OD1 1 ATOM 1218 O OD2 . ASP A 1 166 ? 23.943 22.906 2.144 1.00 8.62 ? 166 ASP E OD2 1 ATOM 1219 N N . PHE A 1 167 ? 27.823 23.497 5.042 1.00 7.62 ? 167 PHE E N 1 ATOM 1220 C CA . PHE A 1 167 ? 28.875 24.062 5.907 1.00 8.02 ? 167 PHE E CA 1 ATOM 1221 C C . PHE A 1 167 ? 29.277 25.447 5.401 1.00 8.05 ? 167 PHE E C 1 ATOM 1222 O O . PHE A 1 167 ? 29.695 25.496 4.224 1.00 7.80 ? 167 PHE E O 1 ATOM 1223 C CB . PHE A 1 167 ? 30.104 23.086 5.956 1.00 7.99 ? 167 PHE E CB 1 ATOM 1224 C CG . PHE A 1 167 ? 29.827 21.979 6.948 1.00 8.55 ? 167 PHE E CG 1 ATOM 1225 C CD1 . PHE A 1 167 ? 29.300 20.769 6.489 1.00 10.95 ? 167 PHE E CD1 1 ATOM 1226 C CD2 . PHE A 1 167 ? 30.126 22.148 8.293 1.00 12.80 ? 167 PHE E CD2 1 ATOM 1227 C CE1 . PHE A 1 167 ? 28.988 19.749 7.378 1.00 10.01 ? 167 PHE E CE1 1 ATOM 1228 C CE2 . PHE A 1 167 ? 29.816 21.124 9.223 1.00 13.75 ? 167 PHE E CE2 1 ATOM 1229 C CZ . PHE A 1 167 ? 29.267 19.931 8.734 1.00 11.39 ? 167 PHE E CZ 1 ATOM 1230 N N . GLY A 1 168 ? 29.205 26.446 6.297 1.00 8.46 ? 168 GLY E N 1 ATOM 1231 C CA . GLY A 1 168 ? 29.732 27.769 5.878 1.00 8.81 ? 168 GLY E CA 1 ATOM 1232 C C . GLY A 1 168 ? 28.796 28.657 5.084 1.00 9.40 ? 168 GLY E C 1 ATOM 1233 O O . GLY A 1 168 ? 29.238 29.772 4.723 1.00 11.24 ? 168 GLY E O 1 ATOM 1234 N N . PHE A 1 169 ? 27.554 28.218 4.804 1.00 8.29 ? 169 PHE E N 1 ATOM 1235 C CA . PHE A 1 169 ? 26.631 29.088 4.033 1.00 9.08 ? 169 PHE E CA 1 ATOM 1236 C C . PHE A 1 169 ? 25.214 28.560 4.316 1.00 9.97 ? 169 PHE E C 1 ATOM 1237 O O . PHE A 1 169 ? 25.030 27.421 4.796 1.00 10.28 ? 169 PHE E O 1 ATOM 1238 C CB . PHE A 1 169 ? 26.982 29.137 2.538 1.00 8.79 ? 169 PHE E CB 1 ATOM 1239 C CG . PHE A 1 169 ? 26.489 27.906 1.801 1.00 13.83 ? 169 PHE E CG 1 ATOM 1240 C CD1 . PHE A 1 169 ? 27.091 26.664 2.019 1.00 12.19 ? 169 PHE E CD1 1 ATOM 1241 C CD2 . PHE A 1 169 ? 25.394 27.966 0.938 1.00 15.64 ? 169 PHE E CD2 1 ATOM 1242 C CE1 . PHE A 1 169 ? 26.657 25.506 1.435 1.00 11.99 ? 169 PHE E CE1 1 ATOM 1243 C CE2 . PHE A 1 169 ? 24.908 26.794 0.339 1.00 17.73 ? 169 PHE E CE2 1 ATOM 1244 C CZ . PHE A 1 169 ? 25.552 25.566 0.591 1.00 15.51 ? 169 PHE E CZ 1 ATOM 1245 N N . ILE A 1 170 ? 24.251 29.387 3.974 1.00 9.40 ? 170 ILE E N 1 ATOM 1246 C CA . ILE A 1 170 ? 22.833 29.078 4.148 1.00 8.70 ? 170 ILE E CA 1 ATOM 1247 C C . ILE A 1 170 ? 22.247 28.902 2.756 1.00 12.17 ? 170 ILE E C 1 ATOM 1248 O O . ILE A 1 170 ? 22.527 29.766 1.895 1.00 11.89 ? 170 ILE E O 1 ATOM 1249 C CB . ILE A 1 170 ? 22.057 30.200 4.923 1.00 11.43 ? 170 ILE E CB 1 ATOM 1250 C CG1 . ILE A 1 170 ? 22.650 30.202 6.357 1.00 11.45 ? 170 ILE E CG1 1 ATOM 1251 C CG2 . ILE A 1 170 ? 20.520 30.026 4.992 1.00 13.99 ? 170 ILE E CG2 1 ATOM 1252 C CD1 . ILE A 1 170 ? 22.327 31.460 7.193 1.00 13.65 ? 170 ILE E CD1 1 ATOM 1253 N N . ASP A 1 171 ? 21.482 27.842 2.575 1.00 8.65 ? 171 ASP E N 1 ATOM 1254 C CA . ASP A 1 171 ? 20.845 27.604 1.286 1.00 6.20 ? 171 ASP E CA 1 ATOM 1255 C C . ASP A 1 171 ? 19.384 28.038 1.487 1.00 7.23 ? 171 ASP E C 1 ATOM 1256 O O . ASP A 1 171 ? 18.653 27.211 1.977 1.00 5.21 ? 171 ASP E O 1 ATOM 1257 C CB . ASP A 1 171 ? 21.056 26.164 0.850 1.00 8.40 ? 171 ASP E CB 1 ATOM 1258 C CG . ASP A 1 171 ? 20.441 25.811 -0.496 1.00 11.06 ? 171 ASP E CG 1 ATOM 1259 O OD1 . ASP A 1 171 ? 20.689 24.687 -0.991 1.00 13.87 ? 171 ASP E OD1 1 ATOM 1260 O OD2 . ASP A 1 171 ? 19.677 26.644 -1.051 1.00 9.67 ? 171 ASP E OD2 1 ATOM 1261 N N . SER A 1 172 ? 19.052 29.217 0.958 1.00 8.82 ? 172 SER E N 1 ATOM 1262 C CA . SER A 1 172 ? 17.683 29.743 1.077 1.00 8.50 ? 172 SER E CA 1 ATOM 1263 C C . SER A 1 172 ? 16.649 28.930 0.302 1.00 8.31 ? 172 SER E C 1 ATOM 1264 O O . SER A 1 172 ? 15.458 29.163 0.619 1.00 9.19 ? 172 SER E O 1 ATOM 1265 C CB . SER A 1 172 ? 17.653 31.226 0.651 1.00 11.82 ? 172 SER E CB 1 ATOM 1266 O OG . SER A 1 172 ? 18.279 31.888 1.771 1.00 24.99 ? 172 SER E OG 1 ATOM 1267 N N . SER A 1 173 ? 17.064 28.133 -0.661 1.00 7.76 ? 173 SER E N 1 ATOM 1268 C CA . SER A 1 173 ? 16.055 27.315 -1.373 1.00 8.30 ? 173 SER E CA 1 ATOM 1269 C C . SER A 1 173 ? 15.618 26.120 -0.526 1.00 7.95 ? 173 SER E C 1 ATOM 1270 O O . SER A 1 173 ? 14.682 25.407 -0.946 1.00 8.81 ? 173 SER E O 1 ATOM 1271 C CB . SER A 1 173 ? 16.523 26.854 -2.736 1.00 7.09 ? 173 SER E CB 1 ATOM 1272 O OG . SER A 1 173 ? 17.542 25.843 -2.553 1.00 10.49 ? 173 SER E OG 1 ATOM 1273 N N . LYS A 1 174 ? 16.208 25.867 0.644 1.00 9.10 ? 174 LYS E N 1 ATOM 1274 C CA . LYS A 1 174 ? 15.852 24.721 1.496 1.00 8.68 ? 174 LYS E CA 1 ATOM 1275 C C . LYS A 1 174 ? 14.715 24.987 2.468 1.00 8.44 ? 174 LYS E C 1 ATOM 1276 O O . LYS A 1 174 ? 14.220 24.056 3.198 1.00 9.39 ? 174 LYS E O 1 ATOM 1277 C CB . LYS A 1 174 ? 17.115 24.243 2.280 1.00 9.19 ? 174 LYS E CB 1 ATOM 1278 C CG . LYS A 1 174 ? 18.184 23.728 1.292 1.00 10.38 ? 174 LYS E CG 1 ATOM 1279 C CD . LYS A 1 174 ? 17.853 22.305 0.983 1.00 15.09 ? 174 LYS E CD 1 ATOM 1280 C CE . LYS A 1 174 ? 18.508 21.517 -0.094 1.00 18.96 ? 174 LYS E CE 1 ATOM 1281 N NZ . LYS A 1 174 ? 18.790 22.293 -1.305 1.00 20.90 ? 174 LYS E NZ 1 ATOM 1282 N N . TYR A 1 175 ? 14.296 26.275 2.509 1.00 9.17 ? 175 TYR E N 1 ATOM 1283 C CA . TYR A 1 175 ? 13.169 26.614 3.425 1.00 7.10 ? 175 TYR E CA 1 ATOM 1284 C C . TYR A 1 175 ? 12.259 27.674 2.791 1.00 8.60 ? 175 TYR E C 1 ATOM 1285 O O . TYR A 1 175 ? 12.550 28.309 1.771 1.00 8.02 ? 175 TYR E O 1 ATOM 1286 C CB . TYR A 1 175 ? 13.668 27.075 4.790 1.00 5.17 ? 175 TYR E CB 1 ATOM 1287 C CG . TYR A 1 175 ? 14.637 28.232 4.713 1.00 9.15 ? 175 TYR E CG 1 ATOM 1288 C CD1 . TYR A 1 175 ? 16.005 28.023 4.506 1.00 11.02 ? 175 TYR E CD1 1 ATOM 1289 C CD2 . TYR A 1 175 ? 14.156 29.518 4.836 1.00 8.94 ? 175 TYR E CD2 1 ATOM 1290 C CE1 . TYR A 1 175 ? 16.857 29.134 4.428 1.00 9.90 ? 175 TYR E CE1 1 ATOM 1291 C CE2 . TYR A 1 175 ? 14.998 30.642 4.786 1.00 11.88 ? 175 TYR E CE2 1 ATOM 1292 C CZ . TYR A 1 175 ? 16.364 30.418 4.610 1.00 10.70 ? 175 TYR E CZ 1 ATOM 1293 O OH . TYR A 1 175 ? 17.180 31.498 4.516 1.00 13.15 ? 175 TYR E OH 1 ATOM 1294 N N . THR A 1 176 ? 11.113 27.775 3.445 1.00 9.93 ? 176 THR E N 1 ATOM 1295 C CA . THR A 1 176 ? 10.091 28.745 3.040 1.00 10.43 ? 176 THR E CA 1 ATOM 1296 C C . THR A 1 176 ? 10.165 29.915 3.996 1.00 9.53 ? 176 THR E C 1 ATOM 1297 O O . THR A 1 176 ? 10.372 29.780 5.198 1.00 8.38 ? 176 THR E O 1 ATOM 1298 C CB . THR A 1 176 ? 8.665 28.046 3.108 1.00 16.88 ? 176 THR E CB 1 ATOM 1299 O OG1 . THR A 1 176 ? 8.723 26.799 2.364 1.00 21.57 ? 176 THR E OG1 1 ATOM 1300 C CG2 . THR A 1 176 ? 7.618 28.963 2.467 1.00 22.61 ? 176 THR E CG2 1 ATOM 1301 N N . GLY A 1 177 ? 10.037 31.111 3.441 1.00 10.44 ? 177 GLY E N 1 ATOM 1302 C CA . GLY A 1 177 ? 9.981 32.359 4.179 1.00 11.89 ? 177 GLY E CA 1 ATOM 1303 C C . GLY A 1 177 ? 11.327 32.758 4.736 1.00 12.69 ? 177 GLY E C 1 ATOM 1304 O O . GLY A 1 177 ? 12.318 32.459 4.032 1.00 16.55 ? 177 GLY E O 1 ATOM 1305 N N . SER A 1 178 ? 11.355 33.388 5.875 1.00 12.16 ? 178 SER E N 1 ATOM 1306 C CA . SER A 1 178 ? 12.624 33.840 6.474 1.00 14.73 ? 178 SER E CA 1 ATOM 1307 C C . SER A 1 178 ? 12.937 32.991 7.730 1.00 12.43 ? 178 SER E C 1 ATOM 1308 O O . SER A 1 178 ? 12.021 32.442 8.318 1.00 12.12 ? 178 SER E O 1 ATOM 1309 C CB . SER A 1 178 ? 12.469 35.290 6.980 1.00 24.27 ? 178 SER E CB 1 ATOM 1310 O OG . SER A 1 178 ? 11.836 36.080 5.978 1.00 33.51 ? 178 SER E OG 1 ATOM 1311 N N . LEU A 1 179 ? 14.207 32.982 8.075 1.00 12.63 ? 179 LEU E N 1 ATOM 1312 C CA . LEU A 1 179 ? 14.637 32.292 9.312 1.00 12.64 ? 179 LEU E CA 1 ATOM 1313 C C . LEU A 1 179 ? 14.266 33.158 10.520 1.00 11.77 ? 179 LEU E C 1 ATOM 1314 O O . LEU A 1 179 ? 14.405 34.389 10.454 1.00 13.13 ? 179 LEU E O 1 ATOM 1315 C CB . LEU A 1 179 ? 16.164 32.106 9.276 1.00 10.32 ? 179 LEU E CB 1 ATOM 1316 C CG . LEU A 1 179 ? 16.619 31.023 8.292 1.00 11.23 ? 179 LEU E CG 1 ATOM 1317 C CD1 . LEU A 1 179 ? 18.091 31.209 8.031 1.00 13.65 ? 179 LEU E CD1 1 ATOM 1318 C CD2 . LEU A 1 179 ? 16.332 29.631 8.842 1.00 12.66 ? 179 LEU E CD2 1 ATOM 1319 N N . THR A 1 180 ? 13.950 32.492 11.612 1.00 11.58 ? 180 THR E N 1 ATOM 1320 C CA . THR A 1 180 ? 13.746 33.096 12.916 1.00 11.74 ? 180 THR E CA 1 ATOM 1321 C C . THR A 1 180 ? 14.888 32.567 13.814 1.00 12.11 ? 180 THR E C 1 ATOM 1322 O O . THR A 1 180 ? 15.001 31.330 13.892 1.00 10.81 ? 180 THR E O 1 ATOM 1323 C CB . THR A 1 180 ? 12.352 32.743 13.576 1.00 16.32 ? 180 THR E CB 1 ATOM 1324 O OG1 . THR A 1 180 ? 11.411 33.290 12.604 1.00 14.36 ? 180 THR E OG1 1 ATOM 1325 C CG2 . THR A 1 180 ? 12.276 33.381 14.975 1.00 15.76 ? 180 THR E CG2 1 ATOM 1326 N N . TYR A 1 181 ? 15.621 33.463 14.431 1.00 11.64 ? 181 TYR E N 1 ATOM 1327 C CA . TYR A 1 181 ? 16.733 33.042 15.326 1.00 10.64 ? 181 TYR E CA 1 ATOM 1328 C C . TYR A 1 181 ? 16.408 33.108 16.801 1.00 11.48 ? 181 TYR E C 1 ATOM 1329 O O . TYR A 1 181 ? 15.595 33.964 17.237 1.00 11.46 ? 181 TYR E O 1 ATOM 1330 C CB . TYR A 1 181 ? 17.928 33.979 15.055 1.00 10.81 ? 181 TYR E CB 1 ATOM 1331 C CG . TYR A 1 181 ? 18.570 33.644 13.712 1.00 12.35 ? 181 TYR E CG 1 ATOM 1332 C CD1 . TYR A 1 181 ? 18.178 34.300 12.546 1.00 13.77 ? 181 TYR E CD1 1 ATOM 1333 C CD2 . TYR A 1 181 ? 19.593 32.698 13.638 1.00 12.96 ? 181 TYR E CD2 1 ATOM 1334 C CE1 . TYR A 1 181 ? 18.802 34.017 11.331 1.00 13.59 ? 181 TYR E CE1 1 ATOM 1335 C CE2 . TYR A 1 181 ? 20.254 32.435 12.431 1.00 12.89 ? 181 TYR E CE2 1 ATOM 1336 C CZ . TYR A 1 181 ? 19.820 33.071 11.291 1.00 13.89 ? 181 TYR E CZ 1 ATOM 1337 O OH . TYR A 1 181 ? 20.465 32.787 10.105 1.00 16.55 ? 181 TYR E OH 1 ATOM 1338 N N . THR A 1 182 ? 17.018 32.239 17.573 1.00 8.15 ? 182 THR E N 1 ATOM 1339 C CA . THR A 1 182 ? 16.814 32.274 19.037 1.00 9.56 ? 182 THR E CA 1 ATOM 1340 C C . THR A 1 182 ? 18.205 32.084 19.646 1.00 10.58 ? 182 THR E C 1 ATOM 1341 O O . THR A 1 182 ? 19.079 31.433 19.005 1.00 8.85 ? 182 THR E O 1 ATOM 1342 C CB . THR A 1 182 ? 15.728 31.226 19.481 1.00 7.81 ? 182 THR E CB 1 ATOM 1343 O OG1 . THR A 1 182 ? 15.330 31.620 20.839 1.00 11.32 ? 182 THR E OG1 1 ATOM 1344 C CG2 . THR A 1 182 ? 16.263 29.797 19.366 1.00 9.97 ? 182 THR E CG2 1 ATOM 1345 N N . GLY A 1 183 ? 18.396 32.680 20.839 1.00 10.14 ? 183 GLY E N 1 ATOM 1346 C CA . GLY A 1 183 ? 19.722 32.535 21.457 1.00 11.20 ? 183 GLY E CA 1 ATOM 1347 C C . GLY A 1 183 ? 19.981 31.105 21.956 1.00 11.73 ? 183 GLY E C 1 ATOM 1348 O O . GLY A 1 183 ? 19.071 30.385 22.378 1.00 10.86 ? 183 GLY E O 1 ATOM 1349 N N . VAL A 1 184 ? 21.275 30.739 21.889 1.00 10.07 ? 184 VAL E N 1 ATOM 1350 C CA . VAL A 1 184 ? 21.704 29.412 22.388 1.00 9.36 ? 184 VAL E CA 1 ATOM 1351 C C . VAL A 1 184 ? 22.458 29.565 23.704 1.00 10.35 ? 184 VAL E C 1 ATOM 1352 O O . VAL A 1 184 ? 23.258 30.522 23.820 1.00 10.05 ? 184 VAL E O 1 ATOM 1353 C CB . VAL A 1 184 ? 22.595 28.724 21.317 1.00 12.46 ? 184 VAL E CB 1 ATOM 1354 C CG1 . VAL A 1 184 ? 23.511 27.664 21.966 1.00 8.21 ? 184 VAL E CG1 1 ATOM 1355 C CG2 . VAL A 1 184 ? 21.703 28.259 20.171 1.00 8.20 ? 184 VAL E CG2 1 ATOM 1356 N N . ASP A 1 185 ? 22.262 28.646 24.622 1.00 9.97 ? 185 ASP E N 1 ATOM 1357 C CA . ASP A 1 185 ? 22.979 28.593 25.920 1.00 10.15 ? 185 ASP E CA 1 ATOM 1358 C C . ASP A 1 185 ? 23.970 27.412 25.748 1.00 8.69 ? 185 ASP E C 1 ATOM 1359 O O . ASP A 1 185 ? 23.443 26.283 25.758 1.00 9.83 ? 185 ASP E O 1 ATOM 1360 C CB . ASP A 1 185 ? 21.969 28.370 27.059 1.00 10.61 ? 185 ASP E CB 1 ATOM 1361 C CG . ASP A 1 185 ? 22.691 28.121 28.380 1.00 17.69 ? 185 ASP E CG 1 ATOM 1362 O OD1 . ASP A 1 185 ? 21.992 27.803 29.341 1.00 23.07 ? 185 ASP E OD1 1 ATOM 1363 O OD2 . ASP A 1 185 ? 23.941 28.263 28.429 1.00 13.56 ? 185 ASP E OD2 1 ATOM 1364 N N . ASN A 1 186 ? 25.238 27.689 25.554 1.00 7.92 ? 186 ASN E N 1 ATOM 1365 C CA . ASN A 1 186 ? 26.164 26.551 25.329 1.00 8.25 ? 186 ASN E CA 1 ATOM 1366 C C . ASN A 1 186 ? 26.925 26.190 26.603 1.00 8.39 ? 186 ASN E C 1 ATOM 1367 O O . ASN A 1 186 ? 27.993 25.568 26.447 1.00 7.54 ? 186 ASN E O 1 ATOM 1368 C CB . ASN A 1 186 ? 27.180 26.856 24.225 1.00 11.66 ? 186 ASN E CB 1 ATOM 1369 C CG . ASN A 1 186 ? 28.005 28.077 24.581 1.00 16.65 ? 186 ASN E CG 1 ATOM 1370 O OD1 . ASN A 1 186 ? 27.801 28.731 25.608 1.00 18.47 ? 186 ASN E OD1 1 ATOM 1371 N ND2 . ASN A 1 186 ? 28.944 28.397 23.674 1.00 20.22 ? 186 ASN E ND2 1 ATOM 1372 N N . SER A 1 187 ? 26.393 26.633 27.727 1.00 8.52 ? 187 SER E N 1 ATOM 1373 C CA . SER A 1 187 ? 27.118 26.371 28.996 1.00 11.14 ? 187 SER E CA 1 ATOM 1374 C C . SER A 1 187 ? 27.295 24.907 29.314 1.00 13.83 ? 187 SER E C 1 ATOM 1375 O O . SER A 1 187 ? 28.284 24.552 30.045 1.00 13.72 ? 187 SER E O 1 ATOM 1376 C CB . SER A 1 187 ? 26.449 27.254 30.068 1.00 13.75 ? 187 SER E CB 1 ATOM 1377 O OG . SER A 1 187 ? 25.256 26.601 30.461 1.00 21.03 ? 187 SER E OG 1 ATOM 1378 N N . GLN A 1 188 ? 26.447 24.011 28.825 1.00 10.63 ? 188 GLN E N 1 ATOM 1379 C CA . GLN A 1 188 ? 26.598 22.570 29.039 1.00 11.50 ? 188 GLN E CA 1 ATOM 1380 C C . GLN A 1 188 ? 27.178 21.970 27.745 1.00 10.10 ? 188 GLN E C 1 ATOM 1381 O O . GLN A 1 188 ? 27.083 20.738 27.656 1.00 12.36 ? 188 GLN E O 1 ATOM 1382 C CB . GLN A 1 188 ? 25.310 21.828 29.319 1.00 14.64 ? 188 GLN E CB 1 ATOM 1383 C CG . GLN A 1 188 ? 24.590 22.019 30.611 1.00 30.14 ? 188 GLN E CG 1 ATOM 1384 C CD . GLN A 1 188 ? 25.336 22.225 31.902 1.00 33.84 ? 188 GLN E CD 1 ATOM 1385 O OE1 . GLN A 1 188 ? 24.869 23.166 32.592 1.00 41.90 ? 188 GLN E OE1 1 ATOM 1386 N NE2 . GLN A 1 188 ? 26.384 21.436 32.177 1.00 33.75 ? 188 GLN E NE2 1 ATOM 1387 N N . GLY A 1 189 ? 27.612 22.757 26.804 1.00 8.88 ? 189 GLY E N 1 ATOM 1388 C CA . GLY A 1 189 ? 28.224 22.291 25.541 1.00 8.36 ? 189 GLY E CA 1 ATOM 1389 C C . GLY A 1 189 ? 27.194 21.904 24.506 1.00 7.83 ? 189 GLY E C 1 ATOM 1390 O O . GLY A 1 189 ? 27.586 21.357 23.450 1.00 8.15 ? 189 GLY E O 1 ATOM 1391 N N . PHE A 1 190 ? 25.911 22.182 24.702 1.00 7.97 ? 190 PHE E N 1 ATOM 1392 C CA . PHE A 1 190 ? 24.894 21.775 23.720 1.00 7.39 ? 190 PHE E CA 1 ATOM 1393 C C . PHE A 1 190 ? 24.313 22.992 22.967 1.00 7.86 ? 190 PHE E C 1 ATOM 1394 O O . PHE A 1 190 ? 24.480 24.101 23.430 1.00 7.19 ? 190 PHE E O 1 ATOM 1395 C CB . PHE A 1 190 ? 23.676 21.032 24.342 1.00 7.72 ? 190 PHE E CB 1 ATOM 1396 C CG . PHE A 1 190 ? 24.040 19.782 25.133 1.00 8.55 ? 190 PHE E CG 1 ATOM 1397 C CD1 . PHE A 1 190 ? 24.579 18.665 24.479 1.00 10.60 ? 190 PHE E CD1 1 ATOM 1398 C CD2 . PHE A 1 190 ? 23.860 19.758 26.516 1.00 9.41 ? 190 PHE E CD2 1 ATOM 1399 C CE1 . PHE A 1 190 ? 24.901 17.520 25.205 1.00 9.89 ? 190 PHE E CE1 1 ATOM 1400 C CE2 . PHE A 1 190 ? 24.197 18.603 27.255 1.00 12.18 ? 190 PHE E CE2 1 ATOM 1401 C CZ . PHE A 1 190 ? 24.700 17.468 26.586 1.00 10.19 ? 190 PHE E CZ 1 ATOM 1402 N N . TRP A 1 191 ? 23.580 22.639 21.900 1.00 6.38 ? 191 TRP E N 1 ATOM 1403 C CA . TRP A 1 191 ? 22.881 23.751 21.156 1.00 7.60 ? 191 TRP E CA 1 ATOM 1404 C C . TRP A 1 191 ? 21.509 23.829 21.852 1.00 7.36 ? 191 TRP E C 1 ATOM 1405 O O . TRP A 1 191 ? 20.569 23.190 21.325 1.00 5.65 ? 191 TRP E O 1 ATOM 1406 C CB . TRP A 1 191 ? 22.733 23.376 19.670 1.00 5.76 ? 191 TRP E CB 1 ATOM 1407 C CG . TRP A 1 191 ? 24.083 23.403 18.975 1.00 5.17 ? 191 TRP E CG 1 ATOM 1408 C CD1 . TRP A 1 191 ? 24.926 22.333 18.788 1.00 4.51 ? 191 TRP E CD1 1 ATOM 1409 C CD2 . TRP A 1 191 ? 24.702 24.543 18.391 1.00 4.67 ? 191 TRP E CD2 1 ATOM 1410 N NE1 . TRP A 1 191 ? 26.022 22.773 18.065 1.00 7.63 ? 191 TRP E NE1 1 ATOM 1411 C CE2 . TRP A 1 191 ? 25.897 24.140 17.827 1.00 5.49 ? 191 TRP E CE2 1 ATOM 1412 C CE3 . TRP A 1 191 ? 24.308 25.884 18.235 1.00 4.73 ? 191 TRP E CE3 1 ATOM 1413 C CZ2 . TRP A 1 191 ? 26.729 24.981 17.101 1.00 6.00 ? 191 TRP E CZ2 1 ATOM 1414 C CZ3 . TRP A 1 191 ? 25.117 26.736 17.491 1.00 5.44 ? 191 TRP E CZ3 1 ATOM 1415 C CH2 . TRP A 1 191 ? 26.355 26.309 16.971 1.00 6.76 ? 191 TRP E CH2 1 ATOM 1416 N N . SER A 1 192 ? 21.550 24.433 23.027 1.00 5.54 ? 192 SER E N 1 ATOM 1417 C CA . SER A 1 192 ? 20.356 24.507 23.871 1.00 8.65 ? 192 SER E CA 1 ATOM 1418 C C . SER A 1 192 ? 19.557 25.788 23.659 1.00 9.10 ? 192 SER E C 1 ATOM 1419 O O . SER A 1 192 ? 20.197 26.835 23.636 1.00 9.96 ? 192 SER E O 1 ATOM 1420 C CB . SER A 1 192 ? 20.827 24.365 25.325 1.00 8.48 ? 192 SER E CB 1 ATOM 1421 O OG . SER A 1 192 ? 19.719 24.453 26.175 1.00 12.62 ? 192 SER E OG 1 ATOM 1422 N N . PHE A 1 193 ? 18.234 25.641 23.558 1.00 7.35 ? 193 PHE E N 1 ATOM 1423 C CA . PHE A 1 193 ? 17.411 26.869 23.321 1.00 7.97 ? 193 PHE E CA 1 ATOM 1424 C C . PHE A 1 193 ? 16.100 26.711 24.127 1.00 8.31 ? 193 PHE E C 1 ATOM 1425 O O . PHE A 1 193 ? 15.823 25.657 24.704 1.00 7.34 ? 193 PHE E O 1 ATOM 1426 C CB . PHE A 1 193 ? 17.142 27.045 21.837 1.00 5.27 ? 193 PHE E CB 1 ATOM 1427 C CG . PHE A 1 193 ? 16.336 25.901 21.251 1.00 10.34 ? 193 PHE E CG 1 ATOM 1428 C CD1 . PHE A 1 193 ? 17.025 24.728 20.852 1.00 7.35 ? 193 PHE E CD1 1 ATOM 1429 C CD2 . PHE A 1 193 ? 14.947 25.987 21.111 1.00 9.61 ? 193 PHE E CD2 1 ATOM 1430 C CE1 . PHE A 1 193 ? 16.328 23.691 20.251 1.00 9.09 ? 193 PHE E CE1 1 ATOM 1431 C CE2 . PHE A 1 193 ? 14.230 24.883 20.585 1.00 12.17 ? 193 PHE E CE2 1 ATOM 1432 C CZ . PHE A 1 193 ? 14.947 23.726 20.124 1.00 8.97 ? 193 PHE E CZ 1 ATOM 1433 N N . ASN A 1 194 ? 15.411 27.858 24.198 1.00 10.30 ? 194 ASN E N 1 ATOM 1434 C CA . ASN A 1 194 ? 14.177 27.926 24.958 1.00 10.69 ? 194 ASN E CA 1 ATOM 1435 C C . ASN A 1 194 ? 12.937 28.011 24.036 1.00 9.26 ? 194 ASN E C 1 ATOM 1436 O O . ASN A 1 194 ? 12.967 28.751 23.043 1.00 9.77 ? 194 ASN E O 1 ATOM 1437 C CB . ASN A 1 194 ? 14.135 29.187 25.850 1.00 14.34 ? 194 ASN E CB 1 ATOM 1438 C CG . ASN A 1 194 ? 15.173 29.191 26.943 1.00 21.57 ? 194 ASN E CG 1 ATOM 1439 O OD1 . ASN A 1 194 ? 15.778 30.258 27.194 1.00 26.19 ? 194 ASN E OD1 1 ATOM 1440 N ND2 . ASN A 1 194 ? 15.431 28.036 27.536 1.00 20.15 ? 194 ASN E ND2 1 ATOM 1441 N N . VAL A 1 195 ? 11.920 27.275 24.503 1.00 10.26 ? 195 VAL E N 1 ATOM 1442 C CA . VAL A 1 195 ? 10.630 27.347 23.851 1.00 11.12 ? 195 VAL E CA 1 ATOM 1443 C C . VAL A 1 195 ? 9.701 28.070 24.877 1.00 10.69 ? 195 VAL E C 1 ATOM 1444 O O . VAL A 1 195 ? 9.801 27.848 26.105 1.00 10.80 ? 195 VAL E O 1 ATOM 1445 C CB . VAL A 1 195 ? 9.980 26.092 23.254 1.00 18.12 ? 195 VAL E CB 1 ATOM 1446 C CG1 . VAL A 1 195 ? 10.923 25.421 22.241 1.00 18.78 ? 195 VAL E CG1 1 ATOM 1447 C CG2 . VAL A 1 195 ? 9.326 25.201 24.270 1.00 15.94 ? 195 VAL E CG2 1 ATOM 1448 N N . ASP A 1 196 ? 8.924 28.916 24.266 1.00 9.02 ? 196 ASP E N 1 ATOM 1449 C CA . ASP A 1 196 ? 7.986 29.759 25.094 1.00 12.40 ? 196 ASP E CA 1 ATOM 1450 C C . ASP A 1 196 ? 6.723 29.056 25.501 1.00 9.79 ? 196 ASP E C 1 ATOM 1451 O O . ASP A 1 196 ? 6.153 29.325 26.583 1.00 13.15 ? 196 ASP E O 1 ATOM 1452 C CB . ASP A 1 196 ? 7.712 31.004 24.230 1.00 14.98 ? 196 ASP E CB 1 ATOM 1453 C CG . ASP A 1 196 ? 8.935 31.932 24.243 1.00 18.20 ? 196 ASP E CG 1 ATOM 1454 O OD1 . ASP A 1 196 ? 9.002 32.648 23.251 1.00 24.03 ? 196 ASP E OD1 1 ATOM 1455 O OD2 . ASP A 1 196 ? 9.635 31.889 25.272 1.00 24.59 ? 196 ASP E OD2 1 ATOM 1456 N N . SER A 1 197 ? 6.259 28.152 24.643 1.00 10.69 ? 197 SER E N 1 ATOM 1457 C CA . SER A 1 197 ? 5.071 27.356 24.898 1.00 9.20 ? 197 SER E CA 1 ATOM 1458 C C . SER A 1 197 ? 5.026 26.180 23.910 1.00 9.18 ? 197 SER E C 1 ATOM 1459 O O . SER A 1 197 ? 5.807 26.195 22.937 1.00 8.98 ? 197 SER E O 1 ATOM 1460 C CB . SER A 1 197 ? 3.810 28.218 24.729 1.00 9.51 ? 197 SER E CB 1 ATOM 1461 O OG . SER A 1 197 ? 3.589 28.522 23.393 1.00 21.52 ? 197 SER E OG 1 ATOM 1462 N N . TYR A 1 198 ? 4.093 25.259 24.172 1.00 6.96 ? 198 TYR E N 1 ATOM 1463 C CA . TYR A 1 198 ? 3.927 24.158 23.206 1.00 7.19 ? 198 TYR E CA 1 ATOM 1464 C C . TYR A 1 198 ? 2.398 23.937 23.055 1.00 8.12 ? 198 TYR E C 1 ATOM 1465 O O . TYR A 1 198 ? 1.617 24.365 23.951 1.00 9.72 ? 198 TYR E O 1 ATOM 1466 C CB . TYR A 1 198 ? 4.641 22.854 23.633 1.00 7.86 ? 198 TYR E CB 1 ATOM 1467 C CG . TYR A 1 198 ? 3.963 22.237 24.851 1.00 9.27 ? 198 TYR E CG 1 ATOM 1468 C CD1 . TYR A 1 198 ? 4.344 22.641 26.139 1.00 10.93 ? 198 TYR E CD1 1 ATOM 1469 C CD2 . TYR A 1 198 ? 2.912 21.309 24.709 1.00 13.60 ? 198 TYR E CD2 1 ATOM 1470 C CE1 . TYR A 1 198 ? 3.738 22.099 27.268 1.00 13.81 ? 198 TYR E CE1 1 ATOM 1471 C CE2 . TYR A 1 198 ? 2.265 20.792 25.817 1.00 13.47 ? 198 TYR E CE2 1 ATOM 1472 C CZ . TYR A 1 198 ? 2.693 21.195 27.099 1.00 18.12 ? 198 TYR E CZ 1 ATOM 1473 O OH . TYR A 1 198 ? 2.042 20.729 28.222 1.00 17.62 ? 198 TYR E OH 1 ATOM 1474 N N . THR A 1 199 ? 2.058 23.330 21.947 1.00 7.00 ? 199 THR E N 1 ATOM 1475 C CA . THR A 1 199 ? 0.684 22.894 21.677 1.00 8.34 ? 199 THR E CA 1 ATOM 1476 C C . THR A 1 199 ? 0.709 21.443 21.207 1.00 8.38 ? 199 THR E C 1 ATOM 1477 O O . THR A 1 199 ? 1.306 21.120 20.173 1.00 9.58 ? 199 THR E O 1 ATOM 1478 C CB . THR A 1 199 ? -0.092 23.762 20.615 1.00 10.12 ? 199 THR E CB 1 ATOM 1479 O OG1 . THR A 1 199 ? -0.120 25.063 21.262 1.00 15.84 ? 199 THR E OG1 1 ATOM 1480 C CG2 . THR A 1 199 ? -1.541 23.225 20.414 1.00 11.36 ? 199 THR E CG2 1 ATOM 1481 N N . ALA A 1 200 ? 0.085 20.576 21.990 1.00 8.81 ? 200 ALA E N 1 ATOM 1482 C CA . ALA A 1 200 ? 0.006 19.129 21.634 1.00 7.82 ? 200 ALA E CA 1 ATOM 1483 C C . ALA A 1 200 ? -1.460 18.871 21.282 1.00 10.60 ? 200 ALA E C 1 ATOM 1484 O O . ALA A 1 200 ? -2.233 18.697 22.223 1.00 10.70 ? 200 ALA E O 1 ATOM 1485 C CB . ALA A 1 200 ? 0.442 18.289 22.832 1.00 6.35 ? 200 ALA E CB 1 ATOM 1486 N N . GLY A 1 201 ? -1.779 18.880 19.998 1.00 14.01 ? 201 GLY E N 1 ATOM 1487 C CA . GLY A 1 201 ? -3.195 18.645 19.594 1.00 15.75 ? 201 GLY E CA 1 ATOM 1488 C C . GLY A 1 201 ? -4.022 19.768 20.216 1.00 16.23 ? 201 GLY E C 1 ATOM 1489 O O . GLY A 1 201 ? -3.750 20.951 19.994 1.00 17.59 ? 201 GLY E O 1 ATOM 1490 N N . SER A 1 202 ? -4.992 19.396 21.021 1.00 14.89 ? 202 SER E N 1 ATOM 1491 C CA . SER A 1 202 ? -5.924 20.261 21.728 1.00 14.01 ? 202 SER E CA 1 ATOM 1492 C C . SER A 1 202 ? -5.457 20.891 23.019 1.00 14.52 ? 202 SER E C 1 ATOM 1493 O O . SER A 1 202 ? -6.312 21.589 23.622 1.00 15.11 ? 202 SER E O 1 ATOM 1494 C CB . SER A 1 202 ? -7.111 19.319 22.141 1.00 16.86 ? 202 SER E CB 1 ATOM 1495 O OG . SER A 1 202 ? -7.543 18.830 20.855 1.00 27.60 ? 202 SER E OG 1 ATOM 1496 N N . GLN A 1 203 ? -4.233 20.595 23.447 1.00 12.60 ? 203 GLN E N 1 ATOM 1497 C CA . GLN A 1 203 ? -3.750 21.124 24.748 1.00 13.77 ? 203 GLN E CA 1 ATOM 1498 C C . GLN A 1 203 ? -2.478 21.962 24.617 1.00 14.35 ? 203 GLN E C 1 ATOM 1499 O O . GLN A 1 203 ? -1.564 21.503 23.900 1.00 13.84 ? 203 GLN E O 1 ATOM 1500 C CB . GLN A 1 203 ? -3.467 19.930 25.683 1.00 19.39 ? 203 GLN E CB 1 ATOM 1501 C CG . GLN A 1 203 ? -4.744 19.116 25.645 1.00 31.42 ? 203 GLN E CG 1 ATOM 1502 C CD . GLN A 1 203 ? -4.945 18.154 26.770 1.00 40.91 ? 203 GLN E CD 1 ATOM 1503 O OE1 . GLN A 1 203 ? -4.059 17.976 27.613 1.00 44.65 ? 203 GLN E OE1 1 ATOM 1504 N NE2 . GLN A 1 203 ? -6.141 17.535 26.703 1.00 45.42 ? 203 GLN E NE2 1 ATOM 1505 N N . SER A 1 204 ? -2.463 23.112 25.275 1.00 12.98 ? 204 SER E N 1 ATOM 1506 C CA . SER A 1 204 ? -1.226 23.961 25.168 1.00 12.02 ? 204 SER E CA 1 ATOM 1507 C C . SER A 1 204 ? -0.609 24.017 26.546 1.00 15.83 ? 204 SER E C 1 ATOM 1508 O O . SER A 1 204 ? -1.422 23.887 27.499 1.00 15.48 ? 204 SER E O 1 ATOM 1509 C CB . SER A 1 204 ? -1.668 25.321 24.645 1.00 15.40 ? 204 SER E CB 1 ATOM 1510 O OG . SER A 1 204 ? -2.039 25.240 23.228 1.00 15.10 ? 204 SER E OG 1 ATOM 1511 N N . GLY A 1 205 ? 0.681 24.262 26.713 1.00 15.16 ? 205 GLY E N 1 ATOM 1512 C CA . GLY A 1 205 ? 1.253 24.319 28.088 1.00 16.30 ? 205 GLY E CA 1 ATOM 1513 C C . GLY A 1 205 ? 2.436 25.307 28.033 1.00 17.04 ? 205 GLY E C 1 ATOM 1514 O O . GLY A 1 205 ? 2.792 25.862 26.987 1.00 12.74 ? 205 GLY E O 1 ATOM 1515 N N . ASP A 1 206 ? 3.019 25.417 29.197 1.00 16.85 ? 206 ASP E N 1 ATOM 1516 C CA . ASP A 1 206 ? 4.194 26.257 29.446 1.00 19.72 ? 206 ASP E CA 1 ATOM 1517 C C . ASP A 1 206 ? 5.455 25.721 28.724 1.00 16.54 ? 206 ASP E C 1 ATOM 1518 O O . ASP A 1 206 ? 5.599 24.554 28.379 1.00 12.68 ? 206 ASP E O 1 ATOM 1519 C CB . ASP A 1 206 ? 4.357 26.279 30.987 1.00 29.71 ? 206 ASP E CB 1 ATOM 1520 C CG . ASP A 1 206 ? 3.089 26.850 31.646 1.00 38.93 ? 206 ASP E CG 1 ATOM 1521 O OD1 . ASP A 1 206 ? 2.759 28.027 31.358 1.00 42.46 ? 206 ASP E OD1 1 ATOM 1522 O OD2 . ASP A 1 206 ? 2.463 26.050 32.403 1.00 41.55 ? 206 ASP E OD2 1 ATOM 1523 N N . GLY A 1 207 ? 6.354 26.676 28.531 1.00 14.18 ? 207 GLY E N 1 ATOM 1524 C CA . GLY A 1 207 ? 7.650 26.405 27.862 1.00 14.22 ? 207 GLY E CA 1 ATOM 1525 C C . GLY A 1 207 ? 8.610 25.636 28.753 1.00 11.76 ? 207 GLY E C 1 ATOM 1526 O O . GLY A 1 207 ? 8.434 25.215 29.924 1.00 14.35 ? 207 GLY E O 1 ATOM 1527 N N . PHE A 1 208 ? 9.788 25.380 28.121 1.00 11.98 ? 208 PHE E N 1 ATOM 1528 C CA . PHE A 1 208 ? 10.859 24.542 28.695 1.00 11.01 ? 208 PHE E CA 1 ATOM 1529 C C . PHE A 1 208 ? 12.110 24.716 27.811 1.00 10.21 ? 208 PHE E C 1 ATOM 1530 O O . PHE A 1 208 ? 11.998 25.469 26.837 1.00 9.88 ? 208 PHE E O 1 ATOM 1531 C CB . PHE A 1 208 ? 10.354 23.078 28.741 1.00 8.32 ? 208 PHE E CB 1 ATOM 1532 C CG . PHE A 1 208 ? 9.821 22.530 27.450 1.00 11.56 ? 208 PHE E CG 1 ATOM 1533 C CD1 . PHE A 1 208 ? 8.453 22.475 27.206 1.00 11.60 ? 208 PHE E CD1 1 ATOM 1534 C CD2 . PHE A 1 208 ? 10.702 22.057 26.448 1.00 10.40 ? 208 PHE E CD2 1 ATOM 1535 C CE1 . PHE A 1 208 ? 7.974 21.908 26.028 1.00 12.32 ? 208 PHE E CE1 1 ATOM 1536 C CE2 . PHE A 1 208 ? 10.233 21.527 25.251 1.00 10.39 ? 208 PHE E CE2 1 ATOM 1537 C CZ . PHE A 1 208 ? 8.842 21.463 25.017 1.00 11.58 ? 208 PHE E CZ 1 ATOM 1538 N N . SER A 1 209 ? 13.206 24.002 28.143 1.00 8.69 ? 209 SER E N 1 ATOM 1539 C CA . SER A 1 209 ? 14.373 24.168 27.267 1.00 7.48 ? 209 SER E CA 1 ATOM 1540 C C . SER A 1 209 ? 14.650 22.772 26.641 1.00 7.96 ? 209 SER E C 1 ATOM 1541 O O . SER A 1 209 ? 14.204 21.788 27.201 1.00 7.82 ? 209 SER E O 1 ATOM 1542 C CB . SER A 1 209 ? 15.647 24.656 27.938 1.00 5.65 ? 209 SER E CB 1 ATOM 1543 O OG . SER A 1 209 ? 16.021 23.699 28.882 1.00 11.78 ? 209 SER E OG 1 ATOM 1544 N N . GLY A 1 210 ? 15.433 22.848 25.544 1.00 8.26 ? 210 GLY E N 1 ATOM 1545 C CA . GLY A 1 210 ? 15.778 21.552 24.911 1.00 7.77 ? 210 GLY E CA 1 ATOM 1546 C C . GLY A 1 210 ? 17.015 21.765 24.044 1.00 6.90 ? 210 GLY E C 1 ATOM 1547 O O . GLY A 1 210 ? 17.434 22.924 23.859 1.00 7.73 ? 210 GLY E O 1 ATOM 1548 N N . ILE A 1 211 ? 17.505 20.626 23.577 1.00 5.65 ? 211 ILE E N 1 ATOM 1549 C CA . ILE A 1 211 ? 18.700 20.679 22.701 1.00 4.04 ? 211 ILE E CA 1 ATOM 1550 C C . ILE A 1 211 ? 18.335 20.194 21.297 1.00 5.53 ? 211 ILE E C 1 ATOM 1551 O O . ILE A 1 211 ? 17.520 19.233 21.211 1.00 7.59 ? 211 ILE E O 1 ATOM 1552 C CB . ILE A 1 211 ? 19.885 19.863 23.334 1.00 6.89 ? 211 ILE E CB 1 ATOM 1553 C CG1 . ILE A 1 211 ? 19.593 18.336 23.294 1.00 5.66 ? 211 ILE E CG1 1 ATOM 1554 C CG2 . ILE A 1 211 ? 20.197 20.369 24.760 1.00 7.56 ? 211 ILE E CG2 1 ATOM 1555 C CD1 . ILE A 1 211 ? 20.929 17.501 23.547 1.00 7.63 ? 211 ILE E CD1 1 ATOM 1556 N N . ALA A 1 212 ? 18.994 20.791 20.313 1.00 4.13 ? 212 ALA E N 1 ATOM 1557 C CA . ALA A 1 212 ? 18.820 20.368 18.924 1.00 3.43 ? 212 ALA E CA 1 ATOM 1558 C C . ALA A 1 212 ? 19.868 19.256 18.725 1.00 7.77 ? 212 ALA E C 1 ATOM 1559 O O . ALA A 1 212 ? 21.096 19.511 18.802 1.00 7.43 ? 212 ALA E O 1 ATOM 1560 C CB . ALA A 1 212 ? 19.083 21.508 17.953 1.00 7.91 ? 212 ALA E CB 1 ATOM 1561 N N . ASP A 1 213 ? 19.346 18.049 18.499 1.00 6.57 ? 213 ASP E N 1 ATOM 1562 C CA . ASP A 1 213 ? 20.210 16.844 18.399 1.00 6.73 ? 213 ASP E CA 1 ATOM 1563 C C . ASP A 1 213 ? 19.950 15.958 17.165 1.00 5.79 ? 213 ASP E C 1 ATOM 1564 O O . ASP A 1 213 ? 19.047 15.098 17.195 1.00 5.36 ? 213 ASP E O 1 ATOM 1565 C CB . ASP A 1 213 ? 20.091 16.023 19.694 1.00 5.76 ? 213 ASP E CB 1 ATOM 1566 C CG . ASP A 1 213 ? 21.119 14.894 19.755 1.00 8.91 ? 213 ASP E CG 1 ATOM 1567 O OD1 . ASP A 1 213 ? 21.988 14.775 18.874 1.00 9.82 ? 213 ASP E OD1 1 ATOM 1568 O OD2 . ASP A 1 213 ? 21.137 14.106 20.721 1.00 12.20 ? 213 ASP E OD2 1 ATOM 1569 N N . THR A 1 214 ? 20.831 16.127 16.170 1.00 4.30 ? 214 THR E N 1 ATOM 1570 C CA . THR A 1 214 ? 20.655 15.266 14.987 1.00 4.82 ? 214 THR E CA 1 ATOM 1571 C C . THR A 1 214 ? 20.887 13.784 15.274 1.00 6.70 ? 214 THR E C 1 ATOM 1572 O O . THR A 1 214 ? 20.478 12.964 14.443 1.00 6.19 ? 214 THR E O 1 ATOM 1573 C CB . THR A 1 214 ? 21.679 15.754 13.864 1.00 4.45 ? 214 THR E CB 1 ATOM 1574 O OG1 . THR A 1 214 ? 23.016 15.660 14.490 1.00 5.29 ? 214 THR E OG1 1 ATOM 1575 C CG2 . THR A 1 214 ? 21.415 17.191 13.358 1.00 4.26 ? 214 THR E CG2 1 ATOM 1576 N N . GLY A 1 215 ? 21.560 13.486 16.369 1.00 6.31 ? 215 GLY E N 1 ATOM 1577 C CA . GLY A 1 215 ? 21.895 12.079 16.702 1.00 5.38 ? 215 GLY E CA 1 ATOM 1578 C C . GLY A 1 215 ? 20.857 11.323 17.519 1.00 8.11 ? 215 GLY E C 1 ATOM 1579 O O . GLY A 1 215 ? 21.088 10.162 17.947 1.00 9.55 ? 215 GLY E O 1 ATOM 1580 N N . THR A 1 216 ? 19.740 11.979 17.770 1.00 5.70 ? 216 THR E N 1 ATOM 1581 C CA . THR A 1 216 ? 18.641 11.329 18.535 1.00 8.44 ? 216 THR E CA 1 ATOM 1582 C C . THR A 1 216 ? 17.515 11.116 17.496 1.00 8.05 ? 216 THR E C 1 ATOM 1583 O O . THR A 1 216 ? 17.131 12.054 16.782 1.00 5.46 ? 216 THR E O 1 ATOM 1584 C CB . THR A 1 216 ? 18.155 12.129 19.789 1.00 7.13 ? 216 THR E CB 1 ATOM 1585 O OG1 . THR A 1 216 ? 19.164 12.060 20.811 1.00 8.94 ? 216 THR E OG1 1 ATOM 1586 C CG2 . THR A 1 216 ? 16.822 11.568 20.353 1.00 4.13 ? 216 THR E CG2 1 ATOM 1587 N N . THR A 1 217 ? 17.035 9.904 17.443 1.00 5.47 ? 217 THR E N 1 ATOM 1588 C CA . THR A 1 217 ? 15.999 9.550 16.478 1.00 7.95 ? 217 THR E CA 1 ATOM 1589 C C . THR A 1 217 ? 14.656 10.253 16.752 1.00 6.89 ? 217 THR E C 1 ATOM 1590 O O . THR A 1 217 ? 14.028 10.675 15.750 1.00 6.51 ? 217 THR E O 1 ATOM 1591 C CB . THR A 1 217 ? 15.754 7.973 16.490 1.00 9.08 ? 217 THR E CB 1 ATOM 1592 O OG1 . THR A 1 217 ? 17.027 7.307 16.342 1.00 7.65 ? 217 THR E OG1 1 ATOM 1593 C CG2 . THR A 1 217 ? 14.750 7.617 15.368 1.00 6.53 ? 217 THR E CG2 1 ATOM 1594 N N . LEU A 1 218 ? 14.265 10.270 18.021 1.00 6.82 ? 218 LEU E N 1 ATOM 1595 C CA . LEU A 1 218 ? 12.895 10.776 18.330 1.00 7.54 ? 218 LEU E CA 1 ATOM 1596 C C . LEU A 1 218 ? 12.847 12.158 18.950 1.00 8.74 ? 218 LEU E C 1 ATOM 1597 O O . LEU A 1 218 ? 13.885 12.783 19.036 1.00 8.55 ? 218 LEU E O 1 ATOM 1598 C CB . LEU A 1 218 ? 12.265 9.680 19.238 1.00 6.91 ? 218 LEU E CB 1 ATOM 1599 C CG . LEU A 1 218 ? 12.219 8.281 18.628 1.00 9.38 ? 218 LEU E CG 1 ATOM 1600 C CD1 . LEU A 1 218 ? 11.547 7.321 19.604 1.00 13.27 ? 218 LEU E CD1 1 ATOM 1601 C CD2 . LEU A 1 218 ? 11.428 8.341 17.307 1.00 8.86 ? 218 LEU E CD2 1 ATOM 1602 N N . LEU A 1 219 ? 11.597 12.545 19.269 1.00 7.39 ? 219 LEU E N 1 ATOM 1603 C CA . LEU A 1 219 ? 11.361 13.830 19.934 1.00 6.87 ? 219 LEU E CA 1 ATOM 1604 C C . LEU A 1 219 ? 11.086 13.418 21.397 1.00 6.80 ? 219 LEU E C 1 ATOM 1605 O O . LEU A 1 219 ? 10.009 12.814 21.666 1.00 6.99 ? 219 LEU E O 1 ATOM 1606 C CB . LEU A 1 219 ? 10.230 14.562 19.210 1.00 4.86 ? 219 LEU E CB 1 ATOM 1607 C CG . LEU A 1 219 ? 9.766 15.824 19.900 1.00 5.64 ? 219 LEU E CG 1 ATOM 1608 C CD1 . LEU A 1 219 ? 10.838 16.824 20.274 1.00 5.09 ? 219 LEU E CD1 1 ATOM 1609 C CD2 . LEU A 1 219 ? 8.798 16.534 18.909 1.00 8.77 ? 219 LEU E CD2 1 ATOM 1610 N N . LEU A 1 220 ? 12.077 13.705 22.266 1.00 5.43 ? 220 LEU E N 1 ATOM 1611 C CA . LEU A 1 220 ? 11.944 13.274 23.672 1.00 6.71 ? 220 LEU E CA 1 ATOM 1612 C C . LEU A 1 220 ? 11.571 14.464 24.572 1.00 6.83 ? 220 LEU E C 1 ATOM 1613 O O . LEU A 1 220 ? 12.372 15.420 24.710 1.00 7.64 ? 220 LEU E O 1 ATOM 1614 C CB . LEU A 1 220 ? 13.202 12.552 24.141 1.00 5.80 ? 220 LEU E CB 1 ATOM 1615 C CG . LEU A 1 220 ? 13.747 11.483 23.180 1.00 10.72 ? 220 LEU E CG 1 ATOM 1616 C CD1 . LEU A 1 220 ? 15.046 10.907 23.782 1.00 9.98 ? 220 LEU E CD1 1 ATOM 1617 C CD2 . LEU A 1 220 ? 12.658 10.427 22.996 1.00 6.21 ? 220 LEU E CD2 1 ATOM 1618 N N . LEU A 1 221 ? 10.420 14.255 25.189 1.00 5.05 ? 221 LEU E N 1 ATOM 1619 C CA . LEU A 1 221 ? 9.839 15.310 26.034 1.00 7.78 ? 221 LEU E CA 1 ATOM 1620 C C . LEU A 1 221 ? 9.542 14.836 27.452 1.00 8.94 ? 221 LEU E C 1 ATOM 1621 O O . LEU A 1 221 ? 9.606 13.645 27.759 1.00 9.64 ? 221 LEU E O 1 ATOM 1622 C CB . LEU A 1 221 ? 8.537 15.809 25.334 1.00 7.86 ? 221 LEU E CB 1 ATOM 1623 C CG . LEU A 1 221 ? 8.676 16.230 23.861 1.00 7.86 ? 221 LEU E CG 1 ATOM 1624 C CD1 . LEU A 1 221 ? 7.312 16.429 23.234 1.00 10.43 ? 221 LEU E CD1 1 ATOM 1625 C CD2 . LEU A 1 221 ? 9.459 17.552 23.825 1.00 5.66 ? 221 LEU E CD2 1 ATOM 1626 N N . ASP A 1 222 ? 9.126 15.794 28.298 1.00 8.21 ? 222 ASP E N 1 ATOM 1627 C CA . ASP A 1 222 ? 8.763 15.460 29.678 1.00 11.11 ? 222 ASP E CA 1 ATOM 1628 C C . ASP A 1 222 ? 7.546 14.512 29.666 1.00 13.26 ? 222 ASP E C 1 ATOM 1629 O O . ASP A 1 222 ? 6.660 14.678 28.845 1.00 11.57 ? 222 ASP E O 1 ATOM 1630 C CB . ASP A 1 222 ? 8.425 16.649 30.574 1.00 14.46 ? 222 ASP E CB 1 ATOM 1631 C CG . ASP A 1 222 ? 9.681 17.495 30.794 1.00 23.99 ? 222 ASP E CG 1 ATOM 1632 O OD1 . ASP A 1 222 ? 10.813 17.016 30.959 1.00 20.65 ? 222 ASP E OD1 1 ATOM 1633 O OD2 . ASP A 1 222 ? 9.411 18.724 30.680 1.00 29.84 ? 222 ASP E OD2 1 ATOM 1634 N N . ASP A 1 223 ? 7.541 13.597 30.619 1.00 13.37 ? 223 ASP E N 1 ATOM 1635 C CA . ASP A 1 223 ? 6.432 12.628 30.679 1.00 16.20 ? 223 ASP E CA 1 ATOM 1636 C C . ASP A 1 223 ? 5.078 13.289 30.737 1.00 16.84 ? 223 ASP E C 1 ATOM 1637 O O . ASP A 1 223 ? 4.120 12.751 30.160 1.00 15.82 ? 223 ASP E O 1 ATOM 1638 C CB . ASP A 1 223 ? 6.678 11.640 31.813 1.00 23.47 ? 223 ASP E CB 1 ATOM 1639 C CG . ASP A 1 223 ? 7.572 10.487 31.379 1.00 34.37 ? 223 ASP E CG 1 ATOM 1640 O OD1 . ASP A 1 223 ? 8.588 10.659 30.674 1.00 38.96 ? 223 ASP E OD1 1 ATOM 1641 O OD2 . ASP A 1 223 ? 7.208 9.348 31.755 1.00 41.96 ? 223 ASP E OD2 1 ATOM 1642 N N . SER A 1 224 ? 4.989 14.452 31.371 1.00 17.18 ? 224 SER E N 1 ATOM 1643 C CA . SER A 1 224 ? 3.651 15.097 31.449 1.00 16.76 ? 224 SER E CA 1 ATOM 1644 C C . SER A 1 224 ? 3.164 15.465 30.062 1.00 15.42 ? 224 SER E C 1 ATOM 1645 O O . SER A 1 224 ? 1.963 15.378 29.734 1.00 14.12 ? 224 SER E O 1 ATOM 1646 C CB . SER A 1 224 ? 3.715 16.221 32.475 1.00 21.07 ? 224 SER E CB 1 ATOM 1647 O OG . SER A 1 224 ? 4.156 17.451 31.938 1.00 28.43 ? 224 SER E OG 1 ATOM 1648 N N . VAL A 1 225 ? 4.093 15.946 29.222 1.00 12.51 ? 225 VAL E N 1 ATOM 1649 C CA . VAL A 1 225 ? 3.819 16.369 27.856 1.00 10.55 ? 225 VAL E CA 1 ATOM 1650 C C . VAL A 1 225 ? 3.468 15.122 27.038 1.00 9.91 ? 225 VAL E C 1 ATOM 1651 O O . VAL A 1 225 ? 2.527 15.159 26.200 1.00 10.97 ? 225 VAL E O 1 ATOM 1652 C CB . VAL A 1 225 ? 4.933 17.244 27.234 1.00 12.74 ? 225 VAL E CB 1 ATOM 1653 C CG1 . VAL A 1 225 ? 4.555 17.598 25.787 1.00 13.58 ? 225 VAL E CG1 1 ATOM 1654 C CG2 . VAL A 1 225 ? 5.231 18.496 28.050 1.00 12.90 ? 225 VAL E CG2 1 ATOM 1655 N N . VAL A 1 226 ? 4.260 14.079 27.189 1.00 8.85 ? 226 VAL E N 1 ATOM 1656 C CA . VAL A 1 226 ? 3.996 12.784 26.503 1.00 9.34 ? 226 VAL E CA 1 ATOM 1657 C C . VAL A 1 226 ? 2.595 12.254 26.861 1.00 11.13 ? 226 VAL E C 1 ATOM 1658 O O . VAL A 1 226 ? 1.853 11.813 25.916 1.00 10.27 ? 226 VAL E O 1 ATOM 1659 C CB . VAL A 1 226 ? 5.109 11.763 26.766 1.00 11.10 ? 226 VAL E CB 1 ATOM 1660 C CG1 . VAL A 1 226 ? 4.866 10.417 26.079 1.00 11.39 ? 226 VAL E CG1 1 ATOM 1661 C CG2 . VAL A 1 226 ? 6.482 12.333 26.389 1.00 10.58 ? 226 VAL E CG2 1 ATOM 1662 N N . SER A 1 227 ? 2.275 12.262 28.158 1.00 12.44 ? 227 SER E N 1 ATOM 1663 C CA . SER A 1 227 ? 0.904 11.834 28.537 1.00 13.37 ? 227 SER E CA 1 ATOM 1664 C C . SER A 1 227 ? -0.171 12.640 27.827 1.00 14.52 ? 227 SER E C 1 ATOM 1665 O O . SER A 1 227 ? -1.158 12.111 27.292 1.00 16.15 ? 227 SER E O 1 ATOM 1666 C CB . SER A 1 227 ? 0.615 11.980 30.027 1.00 14.34 ? 227 SER E CB 1 ATOM 1667 O OG . SER A 1 227 ? 1.670 11.315 30.667 1.00 24.65 ? 227 SER E OG 1 ATOM 1668 N N . GLN A 1 228 ? -0.010 13.959 27.885 1.00 14.19 ? 228 GLN E N 1 ATOM 1669 C CA . GLN A 1 228 ? -1.041 14.864 27.281 1.00 15.91 ? 228 GLN E CA 1 ATOM 1670 C C . GLN A 1 228 ? -1.202 14.588 25.795 1.00 16.00 ? 228 GLN E C 1 ATOM 1671 O O . GLN A 1 228 ? -2.328 14.619 25.276 1.00 15.23 ? 228 GLN E O 1 ATOM 1672 C CB . GLN A 1 228 ? -0.660 16.260 27.667 1.00 23.24 ? 228 GLN E CB 1 ATOM 1673 C CG . GLN A 1 228 ? -1.213 17.489 27.050 1.00 36.19 ? 228 GLN E CG 1 ATOM 1674 C CD . GLN A 1 228 ? -0.615 18.709 27.760 1.00 39.88 ? 228 GLN E CD 1 ATOM 1675 O OE1 . GLN A 1 228 ? -0.424 18.744 28.980 1.00 45.02 ? 228 GLN E OE1 1 ATOM 1676 N NE2 . GLN A 1 228 ? -0.339 19.694 26.923 1.00 45.02 ? 228 GLN E NE2 1 ATOM 1677 N N . TYR A 1 229 ? -0.091 14.315 25.125 1.00 12.17 ? 229 TYR E N 1 ATOM 1678 C CA . TYR A 1 229 ? -0.136 14.000 23.705 1.00 14.24 ? 229 TYR E CA 1 ATOM 1679 C C . TYR A 1 229 ? -0.918 12.702 23.448 1.00 13.26 ? 229 TYR E C 1 ATOM 1680 O O . TYR A 1 229 ? -1.892 12.662 22.656 1.00 13.70 ? 229 TYR E O 1 ATOM 1681 C CB . TYR A 1 229 ? 1.296 13.929 23.064 1.00 12.19 ? 229 TYR E CB 1 ATOM 1682 C CG . TYR A 1 229 ? 1.185 13.756 21.555 1.00 10.94 ? 229 TYR E CG 1 ATOM 1683 C CD1 . TYR A 1 229 ? 0.982 14.841 20.713 1.00 6.92 ? 229 TYR E CD1 1 ATOM 1684 C CD2 . TYR A 1 229 ? 1.314 12.477 21.010 1.00 9.19 ? 229 TYR E CD2 1 ATOM 1685 C CE1 . TYR A 1 229 ? 0.868 14.639 19.333 1.00 8.79 ? 229 TYR E CE1 1 ATOM 1686 C CE2 . TYR A 1 229 ? 1.186 12.265 19.651 1.00 9.49 ? 229 TYR E CE2 1 ATOM 1687 C CZ . TYR A 1 229 ? 0.964 13.349 18.810 1.00 8.06 ? 229 TYR E CZ 1 ATOM 1688 O OH . TYR A 1 229 ? 0.855 13.150 17.469 1.00 9.22 ? 229 TYR E OH 1 ATOM 1689 N N . TYR A 1 230 ? -0.449 11.634 24.112 1.00 13.83 ? 230 TYR E N 1 ATOM 1690 C CA . TYR A 1 230 ? -1.026 10.292 23.861 1.00 12.94 ? 230 TYR E CA 1 ATOM 1691 C C . TYR A 1 230 ? -2.447 10.147 24.440 1.00 15.49 ? 230 TYR E C 1 ATOM 1692 O O . TYR A 1 230 ? -3.165 9.247 23.939 1.00 13.74 ? 230 TYR E O 1 ATOM 1693 C CB . TYR A 1 230 ? -0.080 9.150 24.267 1.00 9.84 ? 230 TYR E CB 1 ATOM 1694 C CG . TYR A 1 230 ? 1.083 9.118 23.260 1.00 11.19 ? 230 TYR E CG 1 ATOM 1695 C CD1 . TYR A 1 230 ? 2.345 9.599 23.655 1.00 9.58 ? 230 TYR E CD1 1 ATOM 1696 C CD2 . TYR A 1 230 ? 0.899 8.720 21.947 1.00 11.08 ? 230 TYR E CD2 1 ATOM 1697 C CE1 . TYR A 1 230 ? 3.412 9.562 22.772 1.00 9.41 ? 230 TYR E CE1 1 ATOM 1698 C CE2 . TYR A 1 230 ? 1.941 8.727 21.030 1.00 14.19 ? 230 TYR E CE2 1 ATOM 1699 C CZ . TYR A 1 230 ? 3.225 9.140 21.461 1.00 7.98 ? 230 TYR E CZ 1 ATOM 1700 O OH . TYR A 1 230 ? 4.207 9.155 20.500 1.00 9.64 ? 230 TYR E OH 1 ATOM 1701 N N . SER A 1 231 ? -2.757 11.006 25.396 1.00 13.45 ? 231 SER E N 1 ATOM 1702 C CA . SER A 1 231 ? -4.160 10.927 25.902 1.00 15.79 ? 231 SER E CA 1 ATOM 1703 C C . SER A 1 231 ? -5.135 11.207 24.763 1.00 16.38 ? 231 SER E C 1 ATOM 1704 O O . SER A 1 231 ? -6.365 10.898 24.830 1.00 15.84 ? 231 SER E O 1 ATOM 1705 C CB . SER A 1 231 ? -4.286 11.896 27.085 1.00 14.41 ? 231 SER E CB 1 ATOM 1706 O OG . SER A 1 231 ? -4.526 13.205 26.519 1.00 23.92 ? 231 SER E OG 1 ATOM 1707 N N . GLN A 1 232 ? -4.648 11.820 23.682 1.00 14.73 ? 232 GLN E N 1 ATOM 1708 C CA . GLN A 1 232 ? -5.488 12.191 22.533 1.00 15.71 ? 232 GLN E CA 1 ATOM 1709 C C . GLN A 1 232 ? -5.449 11.270 21.316 1.00 16.41 ? 232 GLN E C 1 ATOM 1710 O O . GLN A 1 232 ? -5.993 11.499 20.213 1.00 17.91 ? 232 GLN E O 1 ATOM 1711 C CB . GLN A 1 232 ? -5.072 13.605 22.062 1.00 14.45 ? 232 GLN E CB 1 ATOM 1712 C CG . GLN A 1 232 ? -5.217 14.636 23.172 1.00 14.64 ? 232 GLN E CG 1 ATOM 1713 C CD . GLN A 1 232 ? -4.572 15.956 22.781 1.00 16.08 ? 232 GLN E CD 1 ATOM 1714 O OE1 . GLN A 1 232 ? -5.032 16.558 21.809 1.00 19.07 ? 232 GLN E OE1 1 ATOM 1715 N NE2 . GLN A 1 232 ? -3.502 16.343 23.464 1.00 15.90 ? 232 GLN E NE2 1 ATOM 1716 N N . VAL A 1 233 ? -4.750 10.160 21.455 1.00 14.66 ? 233 VAL E N 1 ATOM 1717 C CA . VAL A 1 233 ? -4.540 9.144 20.443 1.00 15.09 ? 233 VAL E CA 1 ATOM 1718 C C . VAL A 1 233 ? -5.275 7.870 20.869 1.00 16.22 ? 233 VAL E C 1 ATOM 1719 O O . VAL A 1 233 ? -4.877 7.244 21.882 1.00 15.84 ? 233 VAL E O 1 ATOM 1720 C CB . VAL A 1 233 ? -3.028 8.887 20.261 1.00 14.41 ? 233 VAL E CB 1 ATOM 1721 C CG1 . VAL A 1 233 ? -2.804 7.855 19.165 1.00 12.95 ? 233 VAL E CG1 1 ATOM 1722 C CG2 . VAL A 1 233 ? -2.300 10.210 19.995 1.00 17.73 ? 233 VAL E CG2 1 ATOM 1723 N N . SER A 1 234 ? -6.352 7.594 20.127 1.00 18.88 ? 234 SER E N 1 ATOM 1724 C CA . SER A 1 234 ? -7.119 6.390 20.529 1.00 21.07 ? 234 SER E CA 1 ATOM 1725 C C . SER A 1 234 ? -6.274 5.112 20.491 1.00 19.84 ? 234 SER E C 1 ATOM 1726 O O . SER A 1 234 ? -5.668 4.891 19.438 1.00 21.88 ? 234 SER E O 1 ATOM 1727 C CB . SER A 1 234 ? -8.348 6.189 19.641 1.00 24.51 ? 234 SER E CB 1 ATOM 1728 O OG . SER A 1 234 ? -9.439 6.348 20.593 1.00 38.17 ? 234 SER E OG 1 ATOM 1729 N N . GLY A 1 235 ? -6.307 4.360 21.568 1.00 21.93 ? 235 GLY E N 1 ATOM 1730 C CA . GLY A 1 235 ? -5.626 3.068 21.689 1.00 22.23 ? 235 GLY E CA 1 ATOM 1731 C C . GLY A 1 235 ? -4.138 3.082 21.980 1.00 23.32 ? 235 GLY E C 1 ATOM 1732 O O . GLY A 1 235 ? -3.494 2.001 22.025 1.00 24.65 ? 235 GLY E O 1 ATOM 1733 N N . ALA A 1 236 ? -3.545 4.261 22.160 1.00 22.43 ? 236 ALA E N 1 ATOM 1734 C CA . ALA A 1 236 ? -2.112 4.387 22.447 1.00 20.71 ? 236 ALA E CA 1 ATOM 1735 C C . ALA A 1 236 ? -1.799 3.586 23.713 1.00 20.87 ? 236 ALA E C 1 ATOM 1736 O O . ALA A 1 236 ? -2.524 3.663 24.728 1.00 20.83 ? 236 ALA E O 1 ATOM 1737 C CB . ALA A 1 236 ? -1.699 5.834 22.647 1.00 21.58 ? 236 ALA E CB 1 ATOM 1738 N N . GLN A 1 237 ? -0.688 2.846 23.630 1.00 19.23 ? 237 GLN E N 1 ATOM 1739 C CA . GLN A 1 237 ? -0.264 2.047 24.798 1.00 16.87 ? 237 GLN E CA 1 ATOM 1740 C C . GLN A 1 237 ? 1.254 1.903 24.715 1.00 13.69 ? 237 GLN E C 1 ATOM 1741 O O . GLN A 1 237 ? 1.750 1.996 23.599 1.00 13.01 ? 237 GLN E O 1 ATOM 1742 C CB . GLN A 1 237 ? -0.968 0.672 24.825 1.00 24.07 ? 237 GLN E CB 1 ATOM 1743 C CG . GLN A 1 237 ? -0.407 -0.183 23.707 1.00 35.53 ? 237 GLN E CG 1 ATOM 1744 C CD . GLN A 1 237 ? -1.108 -1.368 23.118 1.00 41.58 ? 237 GLN E CD 1 ATOM 1745 O OE1 . GLN A 1 237 ? -2.241 -1.754 23.435 1.00 43.01 ? 237 GLN E OE1 1 ATOM 1746 N NE2 . GLN A 1 237 ? -0.355 -1.999 22.187 1.00 42.21 ? 237 GLN E NE2 1 ATOM 1747 N N . GLN A 1 238 ? 1.890 1.722 25.841 1.00 12.73 ? 238 GLN E N 1 ATOM 1748 C CA . GLN A 1 238 ? 3.356 1.553 25.830 1.00 12.79 ? 238 GLN E CA 1 ATOM 1749 C C . GLN A 1 238 ? 3.655 0.095 25.490 1.00 12.18 ? 238 GLN E C 1 ATOM 1750 O O . GLN A 1 238 ? 2.942 -0.829 25.919 1.00 12.36 ? 238 GLN E O 1 ATOM 1751 C CB . GLN A 1 238 ? 3.961 1.947 27.171 1.00 15.61 ? 238 GLN E CB 1 ATOM 1752 C CG . GLN A 1 238 ? 3.613 3.415 27.421 1.00 21.97 ? 238 GLN E CG 1 ATOM 1753 C CD . GLN A 1 238 ? 4.601 3.958 28.433 1.00 24.76 ? 238 GLN E CD 1 ATOM 1754 O OE1 . GLN A 1 238 ? 4.107 4.385 29.464 1.00 25.88 ? 238 GLN E OE1 1 ATOM 1755 N NE2 . GLN A 1 238 ? 5.880 3.839 28.107 1.00 23.54 ? 238 GLN E NE2 1 ATOM 1756 N N . ASP A 1 239 ? 4.713 -0.096 24.730 1.00 11.64 ? 239 ASP E N 1 ATOM 1757 C CA . ASP A 1 239 ? 5.133 -1.485 24.378 1.00 12.18 ? 239 ASP E CA 1 ATOM 1758 C C . ASP A 1 239 ? 6.653 -1.478 24.519 1.00 12.86 ? 239 ASP E C 1 ATOM 1759 O O . ASP A 1 239 ? 7.319 -0.894 23.667 1.00 15.31 ? 239 ASP E O 1 ATOM 1760 C CB . ASP A 1 239 ? 4.571 -1.892 23.046 1.00 15.03 ? 239 ASP E CB 1 ATOM 1761 C CG . ASP A 1 239 ? 5.078 -3.258 22.580 1.00 21.57 ? 239 ASP E CG 1 ATOM 1762 O OD1 . ASP A 1 239 ? 4.470 -3.814 21.656 1.00 26.82 ? 239 ASP E OD1 1 ATOM 1763 O OD2 . ASP A 1 239 ? 6.091 -3.797 23.061 1.00 19.90 ? 239 ASP E OD2 1 ATOM 1764 N N . SER A 1 240 ? 7.137 -2.137 25.556 1.00 12.84 ? 240 SER E N 1 ATOM 1765 C CA . SER A 1 240 ? 8.576 -2.174 25.826 1.00 16.28 ? 240 SER E CA 1 ATOM 1766 C C . SER A 1 240 ? 9.268 -2.895 24.663 1.00 18.73 ? 240 SER E C 1 ATOM 1767 O O . SER A 1 240 ? 10.444 -2.578 24.469 1.00 20.67 ? 240 SER E O 1 ATOM 1768 C CB . SER A 1 240 ? 8.867 -2.815 27.187 1.00 18.54 ? 240 SER E CB 1 ATOM 1769 O OG . SER A 1 240 ? 8.253 -4.093 27.298 1.00 18.91 ? 240 SER E OG 1 ATOM 1770 N N . ASN A 1 241 ? 8.601 -3.789 23.966 1.00 20.07 ? 241 ASN E N 1 ATOM 1771 C CA . ASN A 1 241 ? 9.158 -4.472 22.796 1.00 22.94 ? 241 ASN E CA 1 ATOM 1772 C C . ASN A 1 241 ? 9.478 -3.381 21.734 1.00 22.33 ? 241 ASN E C 1 ATOM 1773 O O . ASN A 1 241 ? 10.563 -3.381 21.128 1.00 24.42 ? 241 ASN E O 1 ATOM 1774 C CB . ASN A 1 241 ? 8.246 -5.527 22.177 1.00 26.33 ? 241 ASN E CB 1 ATOM 1775 C CG . ASN A 1 241 ? 7.789 -6.598 23.170 1.00 30.02 ? 241 ASN E CG 1 ATOM 1776 O OD1 . ASN A 1 241 ? 8.617 -7.073 23.954 1.00 22.30 ? 241 ASN E OD1 1 ATOM 1777 N ND2 . ASN A 1 241 ? 6.484 -6.896 23.126 1.00 25.73 ? 241 ASN E ND2 1 ATOM 1778 N N . ALA A 1 242 ? 8.498 -2.519 21.542 1.00 20.68 ? 242 ALA E N 1 ATOM 1779 C CA . ALA A 1 242 ? 8.631 -1.454 20.530 1.00 17.79 ? 242 ALA E CA 1 ATOM 1780 C C . ALA A 1 242 ? 9.533 -0.349 21.025 1.00 18.79 ? 242 ALA E C 1 ATOM 1781 O O . ALA A 1 242 ? 10.355 0.188 20.236 1.00 20.45 ? 242 ALA E O 1 ATOM 1782 C CB . ALA A 1 242 ? 7.219 -1.079 20.125 1.00 16.00 ? 242 ALA E CB 1 ATOM 1783 N N . GLY A 1 243 ? 9.441 0.090 22.252 1.00 17.48 ? 243 GLY E N 1 ATOM 1784 C CA . GLY A 1 243 ? 10.325 1.181 22.733 1.00 18.98 ? 243 GLY E CA 1 ATOM 1785 C C . GLY A 1 243 ? 9.565 2.367 23.323 1.00 18.08 ? 243 GLY E C 1 ATOM 1786 O O . GLY A 1 243 ? 10.183 3.423 23.621 1.00 19.05 ? 243 GLY E O 1 ATOM 1787 N N . GLY A 1 244 ? 8.276 2.209 23.466 1.00 14.78 ? 244 GLY E N 1 ATOM 1788 C CA . GLY A 1 244 ? 7.463 3.317 24.037 1.00 14.01 ? 244 GLY E CA 1 ATOM 1789 C C . GLY A 1 244 ? 6.013 3.150 23.553 1.00 12.00 ? 244 GLY E C 1 ATOM 1790 O O . GLY A 1 244 ? 5.600 2.023 23.255 1.00 11.80 ? 244 GLY E O 1 ATOM 1791 N N . TYR A 1 245 ? 5.361 4.301 23.469 1.00 12.57 ? 245 TYR E N 1 ATOM 1792 C CA . TYR A 1 245 ? 3.965 4.339 23.035 1.00 7.38 ? 245 TYR E CA 1 ATOM 1793 C C . TYR A 1 245 ? 3.834 3.922 21.566 1.00 8.42 ? 245 TYR E C 1 ATOM 1794 O O . TYR A 1 245 ? 4.504 4.470 20.669 1.00 9.57 ? 245 TYR E O 1 ATOM 1795 C CB . TYR A 1 245 ? 3.457 5.791 23.094 1.00 9.69 ? 245 TYR E CB 1 ATOM 1796 C CG . TYR A 1 245 ? 3.118 6.177 24.509 1.00 11.58 ? 245 TYR E CG 1 ATOM 1797 C CD1 . TYR A 1 245 ? 4.114 6.740 25.319 1.00 12.94 ? 245 TYR E CD1 1 ATOM 1798 C CD2 . TYR A 1 245 ? 1.849 5.946 25.021 1.00 13.14 ? 245 TYR E CD2 1 ATOM 1799 C CE1 . TYR A 1 245 ? 3.843 7.096 26.652 1.00 16.40 ? 245 TYR E CE1 1 ATOM 1800 C CE2 . TYR A 1 245 ? 1.565 6.317 26.340 1.00 20.65 ? 245 TYR E CE2 1 ATOM 1801 C CZ . TYR A 1 245 ? 2.561 6.876 27.143 1.00 20.81 ? 245 TYR E CZ 1 ATOM 1802 O OH . TYR A 1 245 ? 2.222 7.191 28.429 1.00 24.75 ? 245 TYR E OH 1 ATOM 1803 N N . VAL A 1 246 ? 2.870 3.031 21.329 1.00 10.20 ? 246 VAL E N 1 ATOM 1804 C CA . VAL A 1 246 ? 2.579 2.534 19.984 1.00 8.15 ? 246 VAL E CA 1 ATOM 1805 C C . VAL A 1 246 ? 1.063 2.757 19.778 1.00 9.80 ? 246 VAL E C 1 ATOM 1806 O O . VAL A 1 246 ? 0.381 2.988 20.767 1.00 10.94 ? 246 VAL E O 1 ATOM 1807 C CB . VAL A 1 246 ? 2.999 1.070 19.790 1.00 11.28 ? 246 VAL E CB 1 ATOM 1808 C CG1 . VAL A 1 246 ? 4.499 0.852 19.907 1.00 6.83 ? 246 VAL E CG1 1 ATOM 1809 C CG2 . VAL A 1 246 ? 2.226 0.132 20.734 1.00 10.25 ? 246 VAL E CG2 1 ATOM 1810 N N . PHE A 1 247 ? 0.721 2.699 18.488 1.00 12.23 ? 247 PHE E N 1 ATOM 1811 C CA . PHE A 1 247 ? -0.720 2.874 18.135 1.00 14.12 ? 247 PHE E CA 1 ATOM 1812 C C . PHE A 1 247 ? -0.880 2.219 16.759 1.00 13.77 ? 247 PHE E C 1 ATOM 1813 O O . PHE A 1 247 ? 0.028 1.829 16.018 1.00 14.44 ? 247 PHE E O 1 ATOM 1814 C CB . PHE A 1 247 ? -1.169 4.352 18.077 1.00 10.03 ? 247 PHE E CB 1 ATOM 1815 C CG . PHE A 1 247 ? -0.058 5.173 17.467 1.00 13.46 ? 247 PHE E CG 1 ATOM 1816 C CD1 . PHE A 1 247 ? 0.850 5.871 18.255 1.00 14.75 ? 247 PHE E CD1 1 ATOM 1817 C CD2 . PHE A 1 247 ? 0.102 5.158 16.078 1.00 16.41 ? 247 PHE E CD2 1 ATOM 1818 C CE1 . PHE A 1 247 ? 1.890 6.571 17.680 1.00 13.66 ? 247 PHE E CE1 1 ATOM 1819 C CE2 . PHE A 1 247 ? 1.133 5.885 15.477 1.00 16.92 ? 247 PHE E CE2 1 ATOM 1820 C CZ . PHE A 1 247 ? 2.046 6.567 16.273 1.00 15.49 ? 247 PHE E CZ 1 ATOM 1821 N N . ASP A 1 248 ? -2.172 2.128 16.441 1.00 18.50 ? 248 ASP E N 1 ATOM 1822 C CA . ASP A 1 248 ? -2.587 1.564 15.145 1.00 19.16 ? 248 ASP E CA 1 ATOM 1823 C C . ASP A 1 248 ? -1.960 2.478 14.097 1.00 17.60 ? 248 ASP E C 1 ATOM 1824 O O . ASP A 1 248 ? -2.238 3.680 14.247 1.00 18.56 ? 248 ASP E O 1 ATOM 1825 C CB . ASP A 1 248 ? -4.132 1.547 15.139 1.00 28.06 ? 248 ASP E CB 1 ATOM 1826 C CG . ASP A 1 248 ? -4.663 0.787 13.932 1.00 35.40 ? 248 ASP E CG 1 ATOM 1827 O OD1 . ASP A 1 248 ? -5.161 -0.357 14.064 1.00 42.89 ? 248 ASP E OD1 1 ATOM 1828 O OD2 . ASP A 1 248 ? -4.517 1.346 12.820 1.00 37.57 ? 248 ASP E OD2 1 ATOM 1829 N N . CYS A 1 249 ? -1.311 1.939 13.103 1.00 17.32 ? 249 CYS E N 1 ATOM 1830 C CA . CYS A 1 249 ? -0.681 2.763 12.065 1.00 19.22 ? 249 CYS E CA 1 ATOM 1831 C C . CYS A 1 249 ? -1.631 3.708 11.332 1.00 19.21 ? 249 CYS E C 1 ATOM 1832 O O . CYS A 1 249 ? -1.134 4.742 10.847 1.00 19.76 ? 249 CYS E O 1 ATOM 1833 C CB . CYS A 1 249 ? 0.094 1.903 11.072 1.00 15.31 ? 249 CYS E CB 1 ATOM 1834 S SG . CYS A 1 249 ? 1.403 0.947 11.939 1.00 19.18 ? 249 CYS E SG 1 ATOM 1835 N N . SER A 1 250 ? -2.899 3.376 11.292 1.00 18.60 ? 250 SER E N 1 ATOM 1836 C CA . SER A 1 250 ? -3.858 4.250 10.571 1.00 23.24 ? 250 SER E CA 1 ATOM 1837 C C . SER A 1 250 ? -4.425 5.361 11.437 1.00 23.11 ? 250 SER E C 1 ATOM 1838 O O . SER A 1 250 ? -5.256 6.149 10.913 1.00 25.31 ? 250 SER E O 1 ATOM 1839 C CB . SER A 1 250 ? -4.942 3.399 9.877 1.00 24.80 ? 250 SER E CB 1 ATOM 1840 O OG . SER A 1 250 ? -5.933 3.125 10.865 1.00 34.98 ? 250 SER E OG 1 ATOM 1841 N N . THR A 1 251 ? -3.946 5.463 12.651 1.00 22.71 ? 251 THR E N 1 ATOM 1842 C CA . THR A 1 251 ? -4.427 6.508 13.579 1.00 25.93 ? 251 THR E CA 1 ATOM 1843 C C . THR A 1 251 ? -4.183 7.893 13.005 1.00 23.51 ? 251 THR E C 1 ATOM 1844 O O . THR A 1 251 ? -3.179 8.119 12.343 1.00 22.30 ? 251 THR E O 1 ATOM 1845 C CB . THR A 1 251 ? -3.757 6.443 15.010 1.00 28.32 ? 251 THR E CB 1 ATOM 1846 O OG1 . THR A 1 251 ? -3.726 5.011 15.355 1.00 35.92 ? 251 THR E OG1 1 ATOM 1847 C CG2 . THR A 1 251 ? -4.463 7.215 16.126 1.00 32.94 ? 251 THR E CG2 1 ATOM 1848 N N . ASN A 1 252 ? -5.118 8.768 13.308 1.00 24.79 ? 252 ASN E N 1 ATOM 1849 C CA . ASN A 1 252 ? -5.031 10.196 12.918 1.00 26.30 ? 252 ASN E CA 1 ATOM 1850 C C . ASN A 1 252 ? -4.265 10.861 14.074 1.00 23.89 ? 252 ASN E C 1 ATOM 1851 O O . ASN A 1 252 ? -4.875 10.881 15.180 1.00 28.18 ? 252 ASN E O 1 ATOM 1852 C CB . ASN A 1 252 ? -6.445 10.710 12.713 1.00 33.45 ? 252 ASN E CB 1 ATOM 1853 C CG . ASN A 1 252 ? -7.023 10.344 11.360 1.00 39.26 ? 252 ASN E CG 1 ATOM 1854 O OD1 . ASN A 1 252 ? -6.267 10.085 10.404 1.00 44.92 ? 252 ASN E OD1 1 ATOM 1855 N ND2 . ASN A 1 252 ? -8.354 10.331 11.226 1.00 42.45 ? 252 ASN E ND2 1 ATOM 1856 N N . LEU A 1 253 ? -3.017 11.294 13.870 1.00 19.02 ? 253 LEU E N 1 ATOM 1857 C CA . LEU A 1 253 ? -2.299 11.873 15.046 1.00 13.83 ? 253 LEU E CA 1 ATOM 1858 C C . LEU A 1 253 ? -2.354 13.413 15.062 1.00 11.18 ? 253 LEU E C 1 ATOM 1859 O O . LEU A 1 253 ? -2.198 13.994 13.979 1.00 12.37 ? 253 LEU E O 1 ATOM 1860 C CB . LEU A 1 253 ? -0.831 11.438 14.991 1.00 13.08 ? 253 LEU E CB 1 ATOM 1861 C CG . LEU A 1 253 ? -0.473 9.950 15.117 1.00 13.43 ? 253 LEU E CG 1 ATOM 1862 C CD1 . LEU A 1 253 ? 1.042 9.797 14.807 1.00 16.97 ? 253 LEU E CD1 1 ATOM 1863 C CD2 . LEU A 1 253 ? -0.729 9.492 16.527 1.00 15.48 ? 253 LEU E CD2 1 ATOM 1864 N N . PRO A 1 254 ? -2.477 13.965 16.244 1.00 11.64 ? 254 PRO E N 1 ATOM 1865 C CA . PRO A 1 254 ? -2.429 15.410 16.404 1.00 11.41 ? 254 PRO E CA 1 ATOM 1866 C C . PRO A 1 254 ? -1.040 15.948 15.982 1.00 11.60 ? 254 PRO E C 1 ATOM 1867 O O . PRO A 1 254 ? 0.015 15.274 16.008 1.00 11.28 ? 254 PRO E O 1 ATOM 1868 C CB . PRO A 1 254 ? -2.692 15.642 17.880 1.00 12.67 ? 254 PRO E CB 1 ATOM 1869 C CG . PRO A 1 254 ? -3.150 14.330 18.477 1.00 15.18 ? 254 PRO E CG 1 ATOM 1870 C CD . PRO A 1 254 ? -2.632 13.250 17.521 1.00 12.27 ? 254 PRO E CD 1 ATOM 1871 N N . ASP A 1 255 ? -1.051 17.222 15.628 1.00 10.73 ? 255 ASP E N 1 ATOM 1872 C CA . ASP A 1 255 ? 0.227 17.927 15.331 1.00 11.81 ? 255 ASP E CA 1 ATOM 1873 C C . ASP A 1 255 ? 0.868 18.297 16.684 1.00 9.36 ? 255 ASP E C 1 ATOM 1874 O O . ASP A 1 255 ? 0.198 18.298 17.733 1.00 9.64 ? 255 ASP E O 1 ATOM 1875 C CB . ASP A 1 255 ? -0.044 19.224 14.583 1.00 12.02 ? 255 ASP E CB 1 ATOM 1876 C CG . ASP A 1 255 ? -0.663 18.997 13.221 1.00 19.01 ? 255 ASP E CG 1 ATOM 1877 O OD1 . ASP A 1 255 ? -1.279 19.946 12.696 1.00 23.57 ? 255 ASP E OD1 1 ATOM 1878 O OD2 . ASP A 1 255 ? -0.511 17.909 12.637 1.00 13.51 ? 255 ASP E OD2 1 ATOM 1879 N N . PHE A 1 256 ? 2.142 18.650 16.615 1.00 7.96 ? 256 PHE E N 1 ATOM 1880 C CA . PHE A 1 256 ? 2.875 19.105 17.817 1.00 9.11 ? 256 PHE E CA 1 ATOM 1881 C C . PHE A 1 256 ? 3.582 20.402 17.470 1.00 9.99 ? 256 PHE E C 1 ATOM 1882 O O . PHE A 1 256 ? 4.297 20.346 16.436 1.00 12.39 ? 256 PHE E O 1 ATOM 1883 C CB . PHE A 1 256 ? 3.832 18.034 18.367 1.00 8.31 ? 256 PHE E CB 1 ATOM 1884 C CG . PHE A 1 256 ? 4.561 18.533 19.591 1.00 9.61 ? 256 PHE E CG 1 ATOM 1885 C CD1 . PHE A 1 256 ? 5.852 19.082 19.414 1.00 8.59 ? 256 PHE E CD1 1 ATOM 1886 C CD2 . PHE A 1 256 ? 3.952 18.475 20.834 1.00 8.92 ? 256 PHE E CD2 1 ATOM 1887 C CE1 . PHE A 1 256 ? 6.533 19.569 20.520 1.00 11.65 ? 256 PHE E CE1 1 ATOM 1888 C CE2 . PHE A 1 256 ? 4.634 18.945 21.980 1.00 13.91 ? 256 PHE E CE2 1 ATOM 1889 C CZ . PHE A 1 256 ? 5.935 19.489 21.796 1.00 8.17 ? 256 PHE E CZ 1 ATOM 1890 N N . SER A 1 257 ? 3.426 21.482 18.218 1.00 8.69 ? 257 SER E N 1 ATOM 1891 C CA . SER A 1 257 ? 4.175 22.694 17.815 1.00 10.61 ? 257 SER E CA 1 ATOM 1892 C C . SER A 1 257 ? 4.827 23.323 19.028 1.00 9.57 ? 257 SER E C 1 ATOM 1893 O O . SER A 1 257 ? 4.345 23.086 20.138 1.00 9.12 ? 257 SER E O 1 ATOM 1894 C CB . SER A 1 257 ? 3.240 23.668 17.080 1.00 11.66 ? 257 SER E CB 1 ATOM 1895 O OG . SER A 1 257 ? 2.238 24.040 18.011 1.00 17.60 ? 257 SER E OG 1 ATOM 1896 N N . VAL A 1 258 ? 5.879 24.080 18.764 1.00 10.41 ? 258 VAL E N 1 ATOM 1897 C CA . VAL A 1 258 ? 6.542 24.818 19.889 1.00 9.04 ? 258 VAL E CA 1 ATOM 1898 C C . VAL A 1 258 ? 6.647 26.283 19.364 1.00 8.86 ? 258 VAL E C 1 ATOM 1899 O O . VAL A 1 258 ? 6.805 26.449 18.147 1.00 8.61 ? 258 VAL E O 1 ATOM 1900 C CB . VAL A 1 258 ? 7.882 24.254 20.352 1.00 9.97 ? 258 VAL E CB 1 ATOM 1901 C CG1 . VAL A 1 258 ? 7.758 22.950 21.132 1.00 9.49 ? 258 VAL E CG1 1 ATOM 1902 C CG2 . VAL A 1 258 ? 8.828 24.115 19.169 1.00 7.22 ? 258 VAL E CG2 1 ATOM 1903 N N . SER A 1 259 ? 6.579 27.185 20.323 1.00 9.77 ? 259 SER E N 1 ATOM 1904 C CA . SER A 1 259 ? 6.682 28.629 19.946 1.00 11.04 ? 259 SER E CA 1 ATOM 1905 C C . SER A 1 259 ? 8.082 29.054 20.386 1.00 11.37 ? 259 SER E C 1 ATOM 1906 O O . SER A 1 259 ? 8.455 28.971 21.571 1.00 12.34 ? 259 SER E O 1 ATOM 1907 C CB . SER A 1 259 ? 5.556 29.429 20.580 1.00 13.36 ? 259 SER E CB 1 ATOM 1908 O OG . SER A 1 259 ? 5.837 30.781 20.245 1.00 20.71 ? 259 SER E OG 1 ATOM 1909 N N . ILE A 1 260 ? 8.882 29.483 19.407 1.00 12.74 ? 260 ILE E N 1 ATOM 1910 C CA . ILE A 1 260 ? 10.274 29.856 19.640 1.00 14.85 ? 260 ILE E CA 1 ATOM 1911 C C . ILE A 1 260 ? 10.529 31.305 19.208 1.00 15.81 ? 260 ILE E C 1 ATOM 1912 O O . ILE A 1 260 ? 10.568 31.519 17.984 1.00 15.01 ? 260 ILE E O 1 ATOM 1913 C CB . ILE A 1 260 ? 11.237 28.948 18.781 1.00 16.16 ? 260 ILE E CB 1 ATOM 1914 C CG1 . ILE A 1 260 ? 11.026 27.460 19.166 1.00 18.61 ? 260 ILE E CG1 1 ATOM 1915 C CG2 . ILE A 1 260 ? 12.712 29.440 18.915 1.00 14.36 ? 260 ILE E CG2 1 ATOM 1916 C CD1 . ILE A 1 260 ? 11.593 26.481 18.068 1.00 20.99 ? 260 ILE E CD1 1 ATOM 1917 N N . SER A 1 261 ? 10.681 32.164 20.211 1.00 19.95 ? 261 SER E N 1 ATOM 1918 C CA . SER A 1 261 ? 10.947 33.584 19.883 1.00 20.85 ? 261 SER E CA 1 ATOM 1919 C C . SER A 1 261 ? 9.963 34.092 18.843 1.00 21.86 ? 261 SER E C 1 ATOM 1920 O O . SER A 1 261 ? 10.429 34.688 17.841 1.00 21.59 ? 261 SER E O 1 ATOM 1921 C CB . SER A 1 261 ? 12.382 33.733 19.318 1.00 21.85 ? 261 SER E CB 1 ATOM 1922 O OG . SER A 1 261 ? 13.276 33.705 20.410 1.00 28.34 ? 261 SER E OG 1 ATOM 1923 N N . GLY A 1 262 ? 8.683 33.815 19.035 1.00 21.32 ? 262 GLY E N 1 ATOM 1924 C CA . GLY A 1 262 ? 7.634 34.257 18.107 1.00 22.02 ? 262 GLY E CA 1 ATOM 1925 C C . GLY A 1 262 ? 7.342 33.375 16.909 1.00 24.72 ? 262 GLY E C 1 ATOM 1926 O O . GLY A 1 262 ? 6.287 33.517 16.233 1.00 25.48 ? 262 GLY E O 1 ATOM 1927 N N . TYR A 1 263 ? 8.259 32.426 16.624 1.00 23.32 ? 263 TYR E N 1 ATOM 1928 C CA . TYR A 1 263 ? 8.049 31.485 15.488 1.00 19.44 ? 263 TYR E CA 1 ATOM 1929 C C . TYR A 1 263 ? 7.398 30.172 15.990 1.00 17.08 ? 263 TYR E C 1 ATOM 1930 O O . TYR A 1 263 ? 7.832 29.614 17.026 1.00 14.81 ? 263 TYR E O 1 ATOM 1931 C CB . TYR A 1 263 ? 9.436 31.247 14.833 1.00 19.24 ? 263 TYR E CB 1 ATOM 1932 C CG . TYR A 1 263 ? 9.448 30.064 13.885 1.00 19.32 ? 263 TYR E CG 1 ATOM 1933 C CD1 . TYR A 1 263 ? 10.197 28.896 14.160 1.00 15.14 ? 263 TYR E CD1 1 ATOM 1934 C CD2 . TYR A 1 263 ? 8.722 30.128 12.704 1.00 16.64 ? 263 TYR E CD2 1 ATOM 1935 C CE1 . TYR A 1 263 ? 10.149 27.847 13.242 1.00 10.84 ? 263 TYR E CE1 1 ATOM 1936 C CE2 . TYR A 1 263 ? 8.648 29.060 11.808 1.00 14.88 ? 263 TYR E CE2 1 ATOM 1937 C CZ . TYR A 1 263 ? 9.418 27.930 12.071 1.00 10.95 ? 263 TYR E CZ 1 ATOM 1938 O OH . TYR A 1 263 ? 9.297 26.880 11.200 1.00 12.48 ? 263 TYR E OH 1 ATOM 1939 N N . THR A 1 264 ? 6.383 29.728 15.276 1.00 13.89 ? 264 THR E N 1 ATOM 1940 C CA . THR A 1 264 ? 5.726 28.453 15.595 1.00 15.64 ? 264 THR E CA 1 ATOM 1941 C C . THR A 1 264 ? 6.361 27.326 14.743 1.00 13.93 ? 264 THR E C 1 ATOM 1942 O O . THR A 1 264 ? 6.157 27.318 13.515 1.00 13.26 ? 264 THR E O 1 ATOM 1943 C CB . THR A 1 264 ? 4.172 28.450 15.344 1.00 16.63 ? 264 THR E CB 1 ATOM 1944 O OG1 . THR A 1 264 ? 3.658 29.547 16.160 1.00 19.18 ? 264 THR E OG1 1 ATOM 1945 C CG2 . THR A 1 264 ? 3.481 27.108 15.672 1.00 17.38 ? 264 THR E CG2 1 ATOM 1946 N N . ALA A 1 265 ? 7.074 26.437 15.414 1.00 12.08 ? 265 ALA E N 1 ATOM 1947 C CA . ALA A 1 265 ? 7.679 25.293 14.663 1.00 11.56 ? 265 ALA E CA 1 ATOM 1948 C C . ALA A 1 265 ? 6.679 24.125 14.814 1.00 9.27 ? 265 ALA E C 1 ATOM 1949 O O . ALA A 1 265 ? 6.458 23.626 15.918 1.00 8.86 ? 265 ALA E O 1 ATOM 1950 C CB . ALA A 1 265 ? 9.066 25.033 15.231 1.00 8.39 ? 265 ALA E CB 1 ATOM 1951 N N . THR A 1 266 ? 6.084 23.696 13.735 1.00 8.51 ? 266 THR E N 1 ATOM 1952 C CA . THR A 1 266 ? 5.077 22.634 13.786 1.00 8.90 ? 266 THR E CA 1 ATOM 1953 C C . THR A 1 266 ? 5.549 21.298 13.217 1.00 10.94 ? 266 THR E C 1 ATOM 1954 O O . THR A 1 266 ? 6.050 21.314 12.074 1.00 7.57 ? 266 THR E O 1 ATOM 1955 C CB . THR A 1 266 ? 3.756 23.023 12.962 1.00 12.19 ? 266 THR E CB 1 ATOM 1956 O OG1 . THR A 1 266 ? 3.227 24.240 13.588 1.00 14.98 ? 266 THR E OG1 1 ATOM 1957 C CG2 . THR A 1 266 ? 2.781 21.859 12.901 1.00 12.68 ? 266 THR E CG2 1 ATOM 1958 N N . VAL A 1 267 ? 5.356 20.282 14.030 1.00 7.90 ? 267 VAL E N 1 ATOM 1959 C CA . VAL A 1 267 ? 5.595 18.912 13.542 1.00 9.88 ? 267 VAL E CA 1 ATOM 1960 C C . VAL A 1 267 ? 4.206 18.315 13.227 1.00 10.49 ? 267 VAL E C 1 ATOM 1961 O O . VAL A 1 267 ? 3.426 18.089 14.183 1.00 12.01 ? 267 VAL E O 1 ATOM 1962 C CB . VAL A 1 267 ? 6.356 18.051 14.573 1.00 13.33 ? 267 VAL E CB 1 ATOM 1963 C CG1 . VAL A 1 267 ? 6.747 16.685 13.960 1.00 11.04 ? 267 VAL E CG1 1 ATOM 1964 C CG2 . VAL A 1 267 ? 7.592 18.744 15.113 1.00 15.05 ? 267 VAL E CG2 1 ATOM 1965 N N . PRO A 1 268 ? 3.931 18.084 11.943 1.00 12.46 ? 268 PRO E N 1 ATOM 1966 C CA . PRO A 1 268 ? 2.659 17.516 11.511 1.00 12.19 ? 268 PRO E CA 1 ATOM 1967 C C . PRO A 1 268 ? 2.544 16.101 12.019 1.00 12.06 ? 268 PRO E C 1 ATOM 1968 O O . PRO A 1 268 ? 3.548 15.352 12.132 1.00 11.63 ? 268 PRO E O 1 ATOM 1969 C CB . PRO A 1 268 ? 2.640 17.609 9.981 1.00 13.73 ? 268 PRO E CB 1 ATOM 1970 C CG . PRO A 1 268 ? 4.075 17.732 9.594 1.00 16.38 ? 268 PRO E CG 1 ATOM 1971 C CD . PRO A 1 268 ? 4.830 18.320 10.795 1.00 14.49 ? 268 PRO E CD 1 ATOM 1972 N N . GLY A 1 269 ? 1.313 15.746 12.346 1.00 9.87 ? 269 GLY E N 1 ATOM 1973 C CA . GLY A 1 269 ? 1.045 14.396 12.863 1.00 10.84 ? 269 GLY E CA 1 ATOM 1974 C C . GLY A 1 269 ? 1.612 13.282 11.965 1.00 12.53 ? 269 GLY E C 1 ATOM 1975 O O . GLY A 1 269 ? 2.041 12.287 12.578 1.00 12.67 ? 269 GLY E O 1 ATOM 1976 N N . SER A 1 270 ? 1.662 13.427 10.655 1.00 11.64 ? 270 SER E N 1 ATOM 1977 C CA . SER A 1 270 ? 2.172 12.372 9.783 1.00 13.04 ? 270 SER E CA 1 ATOM 1978 C C . SER A 1 270 ? 3.649 12.070 10.075 1.00 13.22 ? 270 SER E C 1 ATOM 1979 O O . SER A 1 270 ? 4.036 10.899 9.881 1.00 14.58 ? 270 SER E O 1 ATOM 1980 C CB . SER A 1 270 ? 2.007 12.713 8.307 1.00 18.11 ? 270 SER E CB 1 ATOM 1981 O OG . SER A 1 270 ? 2.602 13.990 8.100 1.00 24.88 ? 270 SER E OG 1 ATOM 1982 N N . LEU A 1 271 ? 4.396 13.075 10.507 1.00 11.29 ? 271 LEU E N 1 ATOM 1983 C CA . LEU A 1 271 ? 5.804 12.854 10.854 1.00 13.39 ? 271 LEU E CA 1 ATOM 1984 C C . LEU A 1 271 ? 5.934 12.220 12.248 1.00 13.55 ? 271 LEU E C 1 ATOM 1985 O O . LEU A 1 271 ? 6.990 11.587 12.498 1.00 14.33 ? 271 LEU E O 1 ATOM 1986 C CB . LEU A 1 271 ? 6.601 14.143 10.718 1.00 15.59 ? 271 LEU E CB 1 ATOM 1987 C CG . LEU A 1 271 ? 6.930 14.757 9.383 1.00 17.58 ? 271 LEU E CG 1 ATOM 1988 C CD1 . LEU A 1 271 ? 7.821 15.984 9.626 1.00 21.55 ? 271 LEU E CD1 1 ATOM 1989 C CD2 . LEU A 1 271 ? 7.694 13.712 8.565 1.00 18.97 ? 271 LEU E CD2 1 ATOM 1990 N N . ILE A 1 272 ? 4.911 12.290 13.061 1.00 12.49 ? 272 ILE E N 1 ATOM 1991 C CA . ILE A 1 272 ? 4.948 11.674 14.408 1.00 11.85 ? 272 ILE E CA 1 ATOM 1992 C C . ILE A 1 272 ? 4.684 10.182 14.322 1.00 12.87 ? 272 ILE E C 1 ATOM 1993 O O . ILE A 1 272 ? 4.861 9.392 15.287 1.00 14.09 ? 272 ILE E O 1 ATOM 1994 C CB . ILE A 1 272 ? 4.086 12.504 15.408 1.00 13.95 ? 272 ILE E CB 1 ATOM 1995 C CG1 . ILE A 1 272 ? 4.611 13.980 15.391 1.00 13.43 ? 272 ILE E CG1 1 ATOM 1996 C CG2 . ILE A 1 272 ? 4.050 11.910 16.854 1.00 13.40 ? 272 ILE E CG2 1 ATOM 1997 C CD1 . ILE A 1 272 ? 3.640 14.940 16.142 1.00 14.69 ? 272 ILE E CD1 1 ATOM 1998 N N . ASN A 1 273 ? 4.322 9.725 13.135 1.00 12.27 ? 273 ASN E N 1 ATOM 1999 C CA . ASN A 1 273 ? 4.131 8.269 12.920 1.00 12.38 ? 273 ASN E CA 1 ATOM 2000 C C . ASN A 1 273 ? 5.551 7.870 12.490 1.00 14.66 ? 273 ASN E C 1 ATOM 2001 O O . ASN A 1 273 ? 5.910 8.123 11.310 1.00 15.07 ? 273 ASN E O 1 ATOM 2002 C CB . ASN A 1 273 ? 3.005 7.986 11.936 1.00 19.91 ? 273 ASN E CB 1 ATOM 2003 C CG . ASN A 1 273 ? 2.816 6.479 11.745 1.00 19.33 ? 273 ASN E CG 1 ATOM 2004 O OD1 . ASN A 1 273 ? 3.717 5.701 12.046 1.00 19.38 ? 273 ASN E OD1 1 ATOM 2005 N ND2 . ASN A 1 273 ? 1.644 6.039 11.292 1.00 23.40 ? 273 ASN E ND2 1 ATOM 2006 N N . TYR A 1 274 ? 6.311 7.329 13.411 1.00 13.49 ? 274 TYR E N 1 ATOM 2007 C CA . TYR A 1 274 ? 7.716 6.954 13.120 1.00 14.14 ? 274 TYR E CA 1 ATOM 2008 C C . TYR A 1 274 ? 7.809 5.799 12.124 1.00 17.23 ? 274 TYR E C 1 ATOM 2009 O O . TYR A 1 274 ? 8.635 5.802 11.184 1.00 17.54 ? 274 TYR E O 1 ATOM 2010 C CB . TYR A 1 274 ? 8.450 6.603 14.409 1.00 10.69 ? 274 TYR E CB 1 ATOM 2011 C CG . TYR A 1 274 ? 9.827 5.998 14.220 1.00 16.04 ? 274 TYR E CG 1 ATOM 2012 C CD1 . TYR A 1 274 ? 10.884 6.792 13.776 1.00 13.59 ? 274 TYR E CD1 1 ATOM 2013 C CD2 . TYR A 1 274 ? 10.083 4.657 14.495 1.00 18.88 ? 274 TYR E CD2 1 ATOM 2014 C CE1 . TYR A 1 274 ? 12.163 6.266 13.594 1.00 16.52 ? 274 TYR E CE1 1 ATOM 2015 C CE2 . TYR A 1 274 ? 11.362 4.102 14.324 1.00 19.68 ? 274 TYR E CE2 1 ATOM 2016 C CZ . TYR A 1 274 ? 12.394 4.923 13.878 1.00 19.48 ? 274 TYR E CZ 1 ATOM 2017 O OH . TYR A 1 274 ? 13.660 4.401 13.702 1.00 22.68 ? 274 TYR E OH 1 ATOM 2018 N N . GLY A 1 275 ? 6.982 4.810 12.405 1.00 18.03 ? 275 GLY E N 1 ATOM 2019 C CA . GLY A 1 275 ? 6.971 3.617 11.538 1.00 23.60 ? 275 GLY E CA 1 ATOM 2020 C C . GLY A 1 275 ? 6.554 2.393 12.350 1.00 24.47 ? 275 GLY E C 1 ATOM 2021 O O . GLY A 1 275 ? 6.214 2.476 13.532 1.00 22.68 ? 275 GLY E O 1 ATOM 2022 N N . PRO A 1 276 ? 6.593 1.282 11.632 1.00 28.70 ? 276 PRO E N 1 ATOM 2023 C CA . PRO A 1 276 ? 6.202 -0.024 12.184 1.00 31.60 ? 276 PRO E CA 1 ATOM 2024 C C . PRO A 1 276 ? 7.050 -0.262 13.412 1.00 34.26 ? 276 PRO E C 1 ATOM 2025 O O . PRO A 1 276 ? 8.275 -0.064 13.308 1.00 34.20 ? 276 PRO E O 1 ATOM 2026 C CB . PRO A 1 276 ? 6.461 -1.038 11.081 1.00 32.79 ? 276 PRO E CB 1 ATOM 2027 C CG . PRO A 1 276 ? 6.354 -0.207 9.806 1.00 33.34 ? 276 PRO E CG 1 ATOM 2028 C CD . PRO A 1 276 ? 6.990 1.141 10.215 1.00 30.26 ? 276 PRO E CD 1 ATOM 2029 N N . SER A 1 277 ? 6.335 -0.606 14.459 1.00 37.20 ? 277 SER E N 1 ATOM 2030 C CA . SER A 1 277 ? 6.993 -0.828 15.758 1.00 41.75 ? 277 SER E CA 1 ATOM 2031 C C . SER A 1 277 ? 7.851 -2.087 15.666 1.00 47.07 ? 277 SER E C 1 ATOM 2032 O O . SER A 1 277 ? 8.748 -2.301 16.514 1.00 47.80 ? 277 SER E O 1 ATOM 2033 C CB . SER A 1 277 ? 5.968 -0.860 16.876 1.00 39.63 ? 277 SER E CB 1 ATOM 2034 O OG . SER A 1 277 ? 5.111 -1.975 16.786 1.00 39.38 ? 277 SER E OG 1 ATOM 2035 N N . GLY A 1 278 ? 7.568 -2.855 14.620 1.00 50.83 ? 278 GLY E N 1 ATOM 2036 C CA . GLY A 1 278 ? 8.254 -4.131 14.351 1.00 54.16 ? 278 GLY E CA 1 ATOM 2037 C C . GLY A 1 278 ? 7.746 -5.182 15.360 1.00 56.60 ? 278 GLY E C 1 ATOM 2038 O O . GLY A 1 278 ? 8.563 -5.789 16.093 1.00 57.38 ? 278 GLY E O 1 ATOM 2039 N N . ASP A 1 279 ? 6.428 -5.321 15.361 1.00 57.58 ? 279 ASP E N 1 ATOM 2040 C CA . ASP A 1 279 ? 5.764 -6.268 16.280 1.00 59.02 ? 279 ASP E CA 1 ATOM 2041 C C . ASP A 1 279 ? 4.236 -6.078 16.208 1.00 59.18 ? 279 ASP E C 1 ATOM 2042 O O . ASP A 1 279 ? 3.634 -5.281 16.962 1.00 60.05 ? 279 ASP E O 1 ATOM 2043 C CB . ASP A 1 279 ? 6.328 -6.239 17.686 1.00 62.89 ? 279 ASP E CB 1 ATOM 2044 C CG . ASP A 1 279 ? 6.439 -4.963 18.483 1.00 65.16 ? 279 ASP E CG 1 ATOM 2045 O OD1 . ASP A 1 279 ? 7.566 -4.561 18.860 1.00 65.81 ? 279 ASP E OD1 1 ATOM 2046 O OD2 . ASP A 1 279 ? 5.317 -4.310 18.810 1.00 65.26 ? 279 ASP E OD2 1 ATOM 2047 N N . GLY A 1 280 ? 3.656 -6.856 15.295 1.00 57.41 ? 280 GLY E N 1 ATOM 2048 C CA . GLY A 1 280 ? 2.199 -6.812 15.069 1.00 54.93 ? 280 GLY E CA 1 ATOM 2049 C C . GLY A 1 280 ? 1.903 -5.592 14.176 1.00 52.78 ? 280 GLY E C 1 ATOM 2050 O O . GLY A 1 280 ? 2.720 -5.019 13.453 1.00 54.19 ? 280 GLY E O 1 ATOM 2051 N N . SER A 1 281 ? 0.677 -5.157 14.263 1.00 49.63 ? 281 SER E N 1 ATOM 2052 C CA . SER A 1 281 ? -0.047 -4.104 13.605 1.00 44.78 ? 281 SER E CA 1 ATOM 2053 C C . SER A 1 281 ? 0.096 -2.661 14.087 1.00 40.65 ? 281 SER E C 1 ATOM 2054 O O . SER A 1 281 ? -0.777 -1.810 13.692 1.00 40.76 ? 281 SER E O 1 ATOM 2055 C CB . SER A 1 281 ? -1.549 -4.452 13.851 1.00 48.10 ? 281 SER E CB 1 ATOM 2056 O OG . SER A 1 281 ? -1.938 -4.238 15.217 1.00 45.29 ? 281 SER E OG 1 ATOM 2057 N N . THR A 1 282 ? 1.131 -2.425 14.899 1.00 33.69 ? 282 THR E N 1 ATOM 2058 C CA . THR A 1 282 ? 1.308 -1.087 15.465 1.00 25.11 ? 282 THR E CA 1 ATOM 2059 C C . THR A 1 282 ? 2.524 -0.362 14.921 1.00 20.14 ? 282 THR E C 1 ATOM 2060 O O . THR A 1 282 ? 3.479 -0.896 14.340 1.00 19.01 ? 282 THR E O 1 ATOM 2061 C CB . THR A 1 282 ? 1.330 -1.110 17.051 1.00 27.76 ? 282 THR E CB 1 ATOM 2062 O OG1 . THR A 1 282 ? 2.570 -1.806 17.438 1.00 24.66 ? 282 THR E OG1 1 ATOM 2063 C CG2 . THR A 1 282 ? 0.092 -1.724 17.706 1.00 26.65 ? 282 THR E CG2 1 ATOM 2064 N N . CYS A 1 283 ? 2.446 0.937 15.165 1.00 13.87 ? 283 CYS E N 1 ATOM 2065 C CA . CYS A 1 283 ? 3.492 1.895 14.751 1.00 12.76 ? 283 CYS E CA 1 ATOM 2066 C C . CYS A 1 283 ? 4.012 2.580 15.986 1.00 12.61 ? 283 CYS E C 1 ATOM 2067 O O . CYS A 1 283 ? 3.254 2.784 16.967 1.00 9.47 ? 283 CYS E O 1 ATOM 2068 C CB . CYS A 1 283 ? 2.827 2.914 13.819 1.00 15.44 ? 283 CYS E CB 1 ATOM 2069 S SG . CYS A 1 283 ? 2.864 2.395 12.098 1.00 16.87 ? 283 CYS E SG 1 ATOM 2070 N N . LEU A 1 284 ? 5.280 2.969 15.957 1.00 11.90 ? 284 LEU E N 1 ATOM 2071 C CA . LEU A 1 284 ? 5.871 3.657 17.131 1.00 11.99 ? 284 LEU E CA 1 ATOM 2072 C C . LEU A 1 284 ? 5.654 5.176 16.997 1.00 8.75 ? 284 LEU E C 1 ATOM 2073 O O . LEU A 1 284 ? 5.825 5.660 15.863 1.00 8.86 ? 284 LEU E O 1 ATOM 2074 C CB . LEU A 1 284 ? 7.386 3.265 17.159 1.00 11.06 ? 284 LEU E CB 1 ATOM 2075 C CG . LEU A 1 284 ? 8.140 3.835 18.367 1.00 15.24 ? 284 LEU E CG 1 ATOM 2076 C CD1 . LEU A 1 284 ? 7.677 3.278 19.705 1.00 14.04 ? 284 LEU E CD1 1 ATOM 2077 C CD2 . LEU A 1 284 ? 9.646 3.587 18.204 1.00 17.46 ? 284 LEU E CD2 1 ATOM 2078 N N . GLY A 1 285 ? 5.344 5.810 18.121 1.00 7.58 ? 285 GLY E N 1 ATOM 2079 C CA . GLY A 1 285 ? 5.175 7.266 18.111 1.00 8.94 ? 285 GLY E CA 1 ATOM 2080 C C . GLY A 1 285 ? 6.549 7.944 18.083 1.00 8.30 ? 285 GLY E C 1 ATOM 2081 O O . GLY A 1 285 ? 7.515 7.500 18.754 1.00 9.11 ? 285 GLY E O 1 ATOM 2082 N N . GLY A 1 286 ? 6.590 9.064 17.370 1.00 6.92 ? 286 GLY E N 1 ATOM 2083 C CA . GLY A 1 286 ? 7.814 9.863 17.216 1.00 4.38 ? 286 GLY E CA 1 ATOM 2084 C C . GLY A 1 286 ? 8.078 10.703 18.469 1.00 6.65 ? 286 GLY E C 1 ATOM 2085 O O . GLY A 1 286 ? 9.193 11.241 18.593 1.00 7.39 ? 286 GLY E O 1 ATOM 2086 N N . ILE A 1 287 ? 7.128 10.847 19.362 1.00 4.77 ? 287 ILE E N 1 ATOM 2087 C CA . ILE A 1 287 ? 7.239 11.533 20.625 1.00 5.97 ? 287 ILE E CA 1 ATOM 2088 C C . ILE A 1 287 ? 7.370 10.483 21.726 1.00 7.14 ? 287 ILE E C 1 ATOM 2089 O O . ILE A 1 287 ? 6.482 9.600 21.797 1.00 7.46 ? 287 ILE E O 1 ATOM 2090 C CB . ILE A 1 287 ? 6.031 12.476 20.986 1.00 8.22 ? 287 ILE E CB 1 ATOM 2091 C CG1 . ILE A 1 287 ? 6.125 13.711 20.071 1.00 8.27 ? 287 ILE E CG1 1 ATOM 2092 C CG2 . ILE A 1 287 ? 5.991 12.826 22.513 1.00 9.01 ? 287 ILE E CG2 1 ATOM 2093 C CD1 . ILE A 1 287 ? 4.878 14.622 20.151 1.00 7.61 ? 287 ILE E CD1 1 ATOM 2094 N N . GLN A 1 288 ? 8.438 10.608 22.517 1.00 6.20 ? 288 GLN E N 1 ATOM 2095 C CA . GLN A 1 288 ? 8.609 9.625 23.630 1.00 7.05 ? 288 GLN E CA 1 ATOM 2096 C C . GLN A 1 288 ? 9.179 10.359 24.840 1.00 7.50 ? 288 GLN E C 1 ATOM 2097 O O . GLN A 1 288 ? 9.567 11.536 24.736 1.00 7.59 ? 288 GLN E O 1 ATOM 2098 C CB . GLN A 1 288 ? 9.415 8.359 23.287 1.00 6.84 ? 288 GLN E CB 1 ATOM 2099 C CG . GLN A 1 288 ? 8.881 7.615 22.071 1.00 7.05 ? 288 GLN E CG 1 ATOM 2100 C CD . GLN A 1 288 ? 7.599 6.835 22.302 1.00 10.30 ? 288 GLN E CD 1 ATOM 2101 O OE1 . GLN A 1 288 ? 7.215 6.620 23.458 1.00 11.69 ? 288 GLN E OE1 1 ATOM 2102 N NE2 . GLN A 1 288 ? 6.981 6.453 21.193 1.00 7.53 ? 288 GLN E NE2 1 ATOM 2103 N N . SER A 1 289 ? 9.233 9.609 25.933 1.00 8.18 ? 289 SER E N 1 ATOM 2104 C CA . SER A 1 289 ? 9.764 10.204 27.193 1.00 10.58 ? 289 SER E CA 1 ATOM 2105 C C . SER A 1 289 ? 11.251 10.508 27.173 1.00 9.67 ? 289 SER E C 1 ATOM 2106 O O . SER A 1 289 ? 12.038 9.744 26.595 1.00 9.51 ? 289 SER E O 1 ATOM 2107 C CB . SER A 1 289 ? 9.397 9.229 28.334 1.00 12.25 ? 289 SER E CB 1 ATOM 2108 O OG . SER A 1 289 ? 10.150 9.590 29.477 1.00 16.86 ? 289 SER E OG 1 ATOM 2109 N N . ASN A 1 290 ? 11.665 11.580 27.809 1.00 9.61 ? 290 ASN E N 1 ATOM 2110 C CA . ASN A 1 290 ? 13.060 11.986 28.005 1.00 10.37 ? 290 ASN E CA 1 ATOM 2111 C C . ASN A 1 290 ? 13.608 11.350 29.289 1.00 11.99 ? 290 ASN E C 1 ATOM 2112 O O . ASN A 1 290 ? 14.720 11.677 29.740 1.00 12.18 ? 290 ASN E O 1 ATOM 2113 C CB . ASN A 1 290 ? 13.167 13.523 28.003 1.00 9.97 ? 290 ASN E CB 1 ATOM 2114 C CG . ASN A 1 290 ? 12.464 14.197 29.161 1.00 9.67 ? 290 ASN E CG 1 ATOM 2115 O OD1 . ASN A 1 290 ? 11.918 13.558 30.092 1.00 11.09 ? 290 ASN E OD1 1 ATOM 2116 N ND2 . ASN A 1 290 ? 12.440 15.544 29.158 1.00 11.28 ? 290 ASN E ND2 1 ATOM 2117 N N . SER A 1 291 ? 12.868 10.428 29.894 1.00 13.87 ? 291 SER E N 1 ATOM 2118 C CA . SER A 1 291 ? 13.272 9.701 31.115 1.00 16.30 ? 291 SER E CA 1 ATOM 2119 C C . SER A 1 291 ? 13.609 10.565 32.328 1.00 15.87 ? 291 SER E C 1 ATOM 2120 O O . SER A 1 291 ? 14.498 10.194 33.136 1.00 16.26 ? 291 SER E O 1 ATOM 2121 C CB . SER A 1 291 ? 14.511 8.855 30.761 1.00 20.24 ? 291 SER E CB 1 ATOM 2122 O OG . SER A 1 291 ? 14.057 7.874 29.820 1.00 26.04 ? 291 SER E OG 1 ATOM 2123 N N . GLY A 1 292 ? 12.948 11.711 32.401 1.00 13.91 ? 292 GLY E N 1 ATOM 2124 C CA . GLY A 1 292 ? 13.151 12.611 33.533 1.00 14.28 ? 292 GLY E CA 1 ATOM 2125 C C . GLY A 1 292 ? 14.513 13.278 33.603 1.00 16.94 ? 292 GLY E C 1 ATOM 2126 O O . GLY A 1 292 ? 14.871 13.645 34.756 1.00 18.00 ? 292 GLY E O 1 ATOM 2127 N N . ILE A 1 293 ? 15.222 13.474 32.506 1.00 12.91 ? 293 ILE E N 1 ATOM 2128 C CA . ILE A 1 293 ? 16.499 14.162 32.560 1.00 16.82 ? 293 ILE E CA 1 ATOM 2129 C C . ILE A 1 293 ? 16.363 15.683 32.742 1.00 15.89 ? 293 ILE E C 1 ATOM 2130 O O . ILE A 1 293 ? 17.475 16.203 32.996 1.00 19.93 ? 293 ILE E O 1 ATOM 2131 C CB . ILE A 1 293 ? 17.478 13.960 31.362 1.00 17.51 ? 293 ILE E CB 1 ATOM 2132 C CG1 . ILE A 1 293 ? 16.702 14.376 30.088 1.00 18.57 ? 293 ILE E CG1 1 ATOM 2133 C CG2 . ILE A 1 293 ? 18.149 12.591 31.273 1.00 23.82 ? 293 ILE E CG2 1 ATOM 2134 C CD1 . ILE A 1 293 ? 17.568 14.339 28.810 1.00 25.78 ? 293 ILE E CD1 1 ATOM 2135 N N . GLY A 1 294 ? 15.236 16.317 32.650 1.00 15.16 ? 294 GLY E N 1 ATOM 2136 C CA . GLY A 1 294 ? 15.203 17.758 32.928 1.00 14.14 ? 294 GLY E CA 1 ATOM 2137 C C . GLY A 1 294 ? 15.266 18.682 31.741 1.00 15.26 ? 294 GLY E C 1 ATOM 2138 O O . GLY A 1 294 ? 15.099 19.908 31.940 1.00 17.18 ? 294 GLY E O 1 ATOM 2139 N N . PHE A 1 295 ? 15.390 18.142 30.544 1.00 11.05 ? 295 PHE E N 1 ATOM 2140 C CA . PHE A 1 295 ? 15.419 19.027 29.336 1.00 9.99 ? 295 PHE E CA 1 ATOM 2141 C C . PHE A 1 295 ? 14.910 18.155 28.185 1.00 7.06 ? 295 PHE E C 1 ATOM 2142 O O . PHE A 1 295 ? 14.942 16.903 28.373 1.00 7.65 ? 295 PHE E O 1 ATOM 2143 C CB . PHE A 1 295 ? 16.779 19.658 29.131 1.00 9.46 ? 295 PHE E CB 1 ATOM 2144 C CG . PHE A 1 295 ? 17.936 18.708 28.968 1.00 9.15 ? 295 PHE E CG 1 ATOM 2145 C CD1 . PHE A 1 295 ? 18.692 18.319 30.062 1.00 9.47 ? 295 PHE E CD1 1 ATOM 2146 C CD2 . PHE A 1 295 ? 18.239 18.200 27.704 1.00 9.35 ? 295 PHE E CD2 1 ATOM 2147 C CE1 . PHE A 1 295 ? 19.769 17.450 29.937 1.00 11.16 ? 295 PHE E CE1 1 ATOM 2148 C CE2 . PHE A 1 295 ? 19.332 17.310 27.553 1.00 15.50 ? 295 PHE E CE2 1 ATOM 2149 C CZ . PHE A 1 295 ? 20.095 16.940 28.673 1.00 13.47 ? 295 PHE E CZ 1 ATOM 2150 N N . SER A 1 296 ? 14.477 18.793 27.122 1.00 6.41 ? 296 SER E N 1 ATOM 2151 C CA . SER A 1 296 ? 13.937 17.991 26.002 1.00 6.13 ? 296 SER E CA 1 ATOM 2152 C C . SER A 1 296 ? 15.011 17.795 24.947 1.00 6.68 ? 296 SER E C 1 ATOM 2153 O O . SER A 1 296 ? 15.997 18.550 24.828 1.00 8.00 ? 296 SER E O 1 ATOM 2154 C CB . SER A 1 296 ? 12.683 18.626 25.387 1.00 5.59 ? 296 SER E CB 1 ATOM 2155 O OG . SER A 1 296 ? 11.696 18.575 26.437 1.00 9.06 ? 296 SER E OG 1 ATOM 2156 N N . ILE A 1 297 ? 14.781 16.727 24.163 1.00 6.50 ? 297 ILE E N 1 ATOM 2157 C CA . ILE A 1 297 ? 15.674 16.397 23.071 1.00 5.09 ? 297 ILE E CA 1 ATOM 2158 C C . ILE A 1 297 ? 14.956 16.543 21.724 1.00 6.28 ? 297 ILE E C 1 ATOM 2159 O O . ILE A 1 297 ? 14.145 15.635 21.511 1.00 5.19 ? 297 ILE E O 1 ATOM 2160 C CB . ILE A 1 297 ? 16.386 15.011 23.186 1.00 7.53 ? 297 ILE E CB 1 ATOM 2161 C CG1 . ILE A 1 297 ? 17.136 14.952 24.545 1.00 14.64 ? 297 ILE E CG1 1 ATOM 2162 C CG2 . ILE A 1 297 ? 17.373 14.842 21.965 1.00 9.46 ? 297 ILE E CG2 1 ATOM 2163 C CD1 . ILE A 1 297 ? 17.885 13.627 24.850 1.00 19.32 ? 297 ILE E CD1 1 ATOM 2164 N N . PHE A 1 298 ? 15.293 17.622 21.027 1.00 4.70 ? 298 PHE E N 1 ATOM 2165 C CA . PHE A 1 298 ? 14.679 17.853 19.697 1.00 5.74 ? 298 PHE E CA 1 ATOM 2166 C C . PHE A 1 298 ? 15.492 17.054 18.660 1.00 4.49 ? 298 PHE E C 1 ATOM 2167 O O . PHE A 1 298 ? 16.363 17.598 17.969 1.00 4.54 ? 298 PHE E O 1 ATOM 2168 C CB . PHE A 1 298 ? 14.627 19.357 19.408 1.00 6.92 ? 298 PHE E CB 1 ATOM 2169 C CG . PHE A 1 298 ? 13.600 20.079 20.260 1.00 8.09 ? 298 PHE E CG 1 ATOM 2170 C CD1 . PHE A 1 298 ? 14.003 20.629 21.477 1.00 15.17 ? 298 PHE E CD1 1 ATOM 2171 C CD2 . PHE A 1 298 ? 12.298 20.267 19.796 1.00 10.46 ? 298 PHE E CD2 1 ATOM 2172 C CE1 . PHE A 1 298 ? 13.098 21.317 22.300 1.00 15.33 ? 298 PHE E CE1 1 ATOM 2173 C CE2 . PHE A 1 298 ? 11.354 20.919 20.659 1.00 10.16 ? 298 PHE E CE2 1 ATOM 2174 C CZ . PHE A 1 298 ? 11.788 21.447 21.872 1.00 14.31 ? 298 PHE E CZ 1 ATOM 2175 N N . GLY A 1 299 ? 15.177 15.774 18.531 1.00 5.42 ? 299 GLY E N 1 ATOM 2176 C CA . GLY A 1 299 ? 15.750 14.796 17.627 1.00 4.67 ? 299 GLY E CA 1 ATOM 2177 C C . GLY A 1 299 ? 15.142 14.892 16.222 1.00 7.32 ? 299 GLY E C 1 ATOM 2178 O O . GLY A 1 299 ? 14.422 15.817 15.759 1.00 8.28 ? 299 GLY E O 1 ATOM 2179 N N . ASP A 1 300 ? 15.485 13.886 15.420 1.00 5.06 ? 300 ASP E N 1 ATOM 2180 C CA . ASP A 1 300 ? 15.187 13.824 14.000 1.00 2.75 ? 300 ASP E CA 1 ATOM 2181 C C . ASP A 1 300 ? 13.702 14.069 13.699 1.00 4.86 ? 300 ASP E C 1 ATOM 2182 O O . ASP A 1 300 ? 13.461 14.648 12.628 1.00 5.80 ? 300 ASP E O 1 ATOM 2183 C CB . ASP A 1 300 ? 15.672 12.480 13.390 1.00 2.62 ? 300 ASP E CB 1 ATOM 2184 C CG . ASP A 1 300 ? 17.183 12.376 13.557 1.00 5.21 ? 300 ASP E CG 1 ATOM 2185 O OD1 . ASP A 1 300 ? 17.665 11.276 13.487 1.00 6.29 ? 300 ASP E OD1 1 ATOM 2186 O OD2 . ASP A 1 300 ? 17.823 13.432 13.771 1.00 5.69 ? 300 ASP E OD2 1 ATOM 2187 N N . ILE A 1 301 ? 12.850 13.524 14.549 1.00 4.35 ? 301 ILE E N 1 ATOM 2188 C CA . ILE A 1 301 ? 11.386 13.712 14.254 1.00 3.58 ? 301 ILE E CA 1 ATOM 2189 C C . ILE A 1 301 ? 11.048 15.193 14.053 1.00 5.97 ? 301 ILE E C 1 ATOM 2190 O O . ILE A 1 301 ? 10.295 15.538 13.123 1.00 6.49 ? 301 ILE E O 1 ATOM 2191 C CB . ILE A 1 301 ? 10.550 13.087 15.406 1.00 6.01 ? 301 ILE E CB 1 ATOM 2192 C CG1 . ILE A 1 301 ? 10.676 11.545 15.386 1.00 5.02 ? 301 ILE E CG1 1 ATOM 2193 C CG2 . ILE A 1 301 ? 9.049 13.500 15.363 1.00 4.72 ? 301 ILE E CG2 1 ATOM 2194 C CD1 . ILE A 1 301 ? 10.000 10.882 14.153 1.00 8.55 ? 301 ILE E CD1 1 ATOM 2195 N N . PHE A 1 302 ? 11.520 15.992 14.989 1.00 5.02 ? 302 PHE E N 1 ATOM 2196 C CA . PHE A 1 302 ? 11.346 17.456 14.997 1.00 5.65 ? 302 PHE E CA 1 ATOM 2197 C C . PHE A 1 302 ? 12.103 18.069 13.832 1.00 6.61 ? 302 PHE E C 1 ATOM 2198 O O . PHE A 1 302 ? 11.588 18.881 13.057 1.00 7.79 ? 302 PHE E O 1 ATOM 2199 C CB . PHE A 1 302 ? 11.796 18.131 16.292 1.00 7.06 ? 302 PHE E CB 1 ATOM 2200 C CG . PHE A 1 302 ? 11.714 19.632 16.266 1.00 8.66 ? 302 PHE E CG 1 ATOM 2201 C CD1 . PHE A 1 302 ? 10.505 20.306 16.470 1.00 13.03 ? 302 PHE E CD1 1 ATOM 2202 C CD2 . PHE A 1 302 ? 12.906 20.362 16.035 1.00 7.65 ? 302 PHE E CD2 1 ATOM 2203 C CE1 . PHE A 1 302 ? 10.504 21.715 16.473 1.00 17.20 ? 302 PHE E CE1 1 ATOM 2204 C CE2 . PHE A 1 302 ? 12.909 21.762 16.024 1.00 10.14 ? 302 PHE E CE2 1 ATOM 2205 C CZ . PHE A 1 302 ? 11.677 22.428 16.240 1.00 12.81 ? 302 PHE E CZ 1 ATOM 2206 N N . LEU A 1 303 ? 13.374 17.678 13.657 1.00 8.28 ? 303 LEU E N 1 ATOM 2207 C CA . LEU A 1 303 ? 14.236 18.223 12.588 1.00 6.07 ? 303 LEU E CA 1 ATOM 2208 C C . LEU A 1 303 ? 13.783 17.980 11.153 1.00 7.50 ? 303 LEU E C 1 ATOM 2209 O O . LEU A 1 303 ? 14.114 18.829 10.292 1.00 7.40 ? 303 LEU E O 1 ATOM 2210 C CB . LEU A 1 303 ? 15.691 17.782 12.804 1.00 9.83 ? 303 LEU E CB 1 ATOM 2211 C CG . LEU A 1 303 ? 16.355 18.162 14.114 1.00 12.97 ? 303 LEU E CG 1 ATOM 2212 C CD1 . LEU A 1 303 ? 17.684 17.352 14.158 1.00 12.70 ? 303 LEU E CD1 1 ATOM 2213 C CD2 . LEU A 1 303 ? 16.629 19.643 14.181 1.00 13.35 ? 303 LEU E CD2 1 ATOM 2214 N N . LYS A 1 304 ? 13.086 16.905 10.895 1.00 6.06 ? 304 LYS E N 1 ATOM 2215 C CA . LYS A 1 304 ? 12.560 16.580 9.586 1.00 8.36 ? 304 LYS E CA 1 ATOM 2216 C C . LYS A 1 304 ? 11.545 17.637 9.160 1.00 9.17 ? 304 LYS E C 1 ATOM 2217 O O . LYS A 1 304 ? 11.255 17.666 7.942 1.00 10.67 ? 304 LYS E O 1 ATOM 2218 C CB . LYS A 1 304 ? 11.846 15.218 9.524 1.00 8.41 ? 304 LYS E CB 1 ATOM 2219 C CG . LYS A 1 304 ? 12.848 14.088 9.260 1.00 13.06 ? 304 LYS E CG 1 ATOM 2220 C CD . LYS A 1 304 ? 12.120 12.735 9.322 1.00 13.88 ? 304 LYS E CD 1 ATOM 2221 C CE . LYS A 1 304 ? 12.347 12.095 10.680 1.00 10.72 ? 304 LYS E CE 1 ATOM 2222 N NZ . LYS A 1 304 ? 11.728 10.719 10.684 1.00 8.58 ? 304 LYS E NZ 1 ATOM 2223 N N . SER A 1 305 ? 11.095 18.500 10.040 1.00 8.99 ? 305 SER E N 1 ATOM 2224 C CA . SER A 1 305 ? 10.116 19.535 9.623 1.00 7.44 ? 305 SER E CA 1 ATOM 2225 C C . SER A 1 305 ? 10.738 20.902 9.338 1.00 8.38 ? 305 SER E C 1 ATOM 2226 O O . SER A 1 305 ? 9.986 21.773 8.835 1.00 7.51 ? 305 SER E O 1 ATOM 2227 C CB . SER A 1 305 ? 9.045 19.684 10.699 1.00 6.60 ? 305 SER E CB 1 ATOM 2228 O OG . SER A 1 305 ? 9.497 20.247 11.931 1.00 6.83 ? 305 SER E OG 1 ATOM 2229 N N . GLN A 1 306 ? 11.990 21.095 9.769 1.00 6.59 ? 306 GLN E N 1 ATOM 2230 C CA . GLN A 1 306 ? 12.628 22.397 9.681 1.00 6.42 ? 306 GLN E CA 1 ATOM 2231 C C . GLN A 1 306 ? 13.978 22.367 8.953 1.00 7.56 ? 306 GLN E C 1 ATOM 2232 O O . GLN A 1 306 ? 14.642 21.339 8.887 1.00 8.81 ? 306 GLN E O 1 ATOM 2233 C CB . GLN A 1 306 ? 13.010 22.870 11.111 1.00 6.21 ? 306 GLN E CB 1 ATOM 2234 C CG . GLN A 1 306 ? 11.887 22.750 12.166 1.00 8.12 ? 306 GLN E CG 1 ATOM 2235 C CD . GLN A 1 306 ? 10.791 23.756 11.912 1.00 10.68 ? 306 GLN E CD 1 ATOM 2236 O OE1 . GLN A 1 306 ? 11.011 24.968 11.782 1.00 10.62 ? 306 GLN E OE1 1 ATOM 2237 N NE2 . GLN A 1 306 ? 9.548 23.255 11.824 1.00 9.53 ? 306 GLN E NE2 1 ATOM 2238 N N . TYR A 1 307 ? 14.390 23.570 8.564 1.00 5.45 ? 307 TYR E N 1 ATOM 2239 C CA . TYR A 1 307 ? 15.752 23.782 8.056 1.00 6.01 ? 307 TYR E CA 1 ATOM 2240 C C . TYR A 1 307 ? 16.379 24.496 9.273 1.00 7.64 ? 307 TYR E C 1 ATOM 2241 O O . TYR A 1 307 ? 15.734 25.466 9.728 1.00 6.64 ? 307 TYR E O 1 ATOM 2242 C CB . TYR A 1 307 ? 15.790 24.663 6.809 1.00 6.05 ? 307 TYR E CB 1 ATOM 2243 C CG . TYR A 1 307 ? 17.188 24.983 6.305 1.00 8.69 ? 307 TYR E CG 1 ATOM 2244 C CD1 . TYR A 1 307 ? 17.757 26.245 6.502 1.00 7.37 ? 307 TYR E CD1 1 ATOM 2245 C CD2 . TYR A 1 307 ? 17.889 23.975 5.632 1.00 9.10 ? 307 TYR E CD2 1 ATOM 2246 C CE1 . TYR A 1 307 ? 19.021 26.516 5.967 1.00 6.64 ? 307 TYR E CE1 1 ATOM 2247 C CE2 . TYR A 1 307 ? 19.181 24.238 5.135 1.00 8.19 ? 307 TYR E CE2 1 ATOM 2248 C CZ . TYR A 1 307 ? 19.713 25.503 5.307 1.00 7.46 ? 307 TYR E CZ 1 ATOM 2249 O OH . TYR A 1 307 ? 20.945 25.728 4.734 1.00 9.35 ? 307 TYR E OH 1 ATOM 2250 N N . VAL A 1 308 ? 17.482 23.978 9.799 1.00 5.63 ? 308 VAL E N 1 ATOM 2251 C CA . VAL A 1 308 ? 18.027 24.577 11.038 1.00 6.34 ? 308 VAL E CA 1 ATOM 2252 C C . VAL A 1 308 ? 19.448 25.112 10.805 1.00 6.02 ? 308 VAL E C 1 ATOM 2253 O O . VAL A 1 308 ? 20.244 24.337 10.280 1.00 7.48 ? 308 VAL E O 1 ATOM 2254 C CB . VAL A 1 308 ? 17.958 23.561 12.203 1.00 9.22 ? 308 VAL E CB 1 ATOM 2255 C CG1 . VAL A 1 308 ? 18.443 24.198 13.509 1.00 10.72 ? 308 VAL E CG1 1 ATOM 2256 C CG2 . VAL A 1 308 ? 16.566 22.979 12.401 1.00 9.92 ? 308 VAL E CG2 1 ATOM 2257 N N . VAL A 1 309 ? 19.640 26.339 11.241 1.00 6.01 ? 309 VAL E N 1 ATOM 2258 C CA . VAL A 1 309 ? 20.998 26.942 11.104 1.00 6.65 ? 309 VAL E CA 1 ATOM 2259 C C . VAL A 1 309 ? 21.659 26.926 12.472 1.00 6.98 ? 309 VAL E C 1 ATOM 2260 O O . VAL A 1 309 ? 21.064 27.488 13.408 1.00 7.45 ? 309 VAL E O 1 ATOM 2261 C CB . VAL A 1 309 ? 20.861 28.364 10.502 1.00 9.57 ? 309 VAL E CB 1 ATOM 2262 C CG1 . VAL A 1 309 ? 22.179 29.136 10.526 1.00 10.74 ? 309 VAL E CG1 1 ATOM 2263 C CG2 . VAL A 1 309 ? 20.306 28.287 9.098 1.00 11.55 ? 309 VAL E CG2 1 ATOM 2264 N N . PHE A 1 310 ? 22.850 26.351 12.573 1.00 6.17 ? 310 PHE E N 1 ATOM 2265 C CA . PHE A 1 310 ? 23.627 26.302 13.832 1.00 6.78 ? 310 PHE E CA 1 ATOM 2266 C C . PHE A 1 310 ? 24.717 27.399 13.661 1.00 7.78 ? 310 PHE E C 1 ATOM 2267 O O . PHE A 1 310 ? 25.662 27.130 12.899 1.00 5.53 ? 310 PHE E O 1 ATOM 2268 C CB . PHE A 1 310 ? 24.264 24.924 14.008 1.00 7.95 ? 310 PHE E CB 1 ATOM 2269 C CG . PHE A 1 310 ? 23.273 23.806 14.226 1.00 5.91 ? 310 PHE E CG 1 ATOM 2270 C CD1 . PHE A 1 310 ? 22.524 23.273 13.164 1.00 9.52 ? 310 PHE E CD1 1 ATOM 2271 C CD2 . PHE A 1 310 ? 23.161 23.301 15.512 1.00 3.62 ? 310 PHE E CD2 1 ATOM 2272 C CE1 . PHE A 1 310 ? 21.594 22.247 13.426 1.00 10.15 ? 310 PHE E CE1 1 ATOM 2273 C CE2 . PHE A 1 310 ? 22.223 22.274 15.782 1.00 9.72 ? 310 PHE E CE2 1 ATOM 2274 C CZ . PHE A 1 310 ? 21.424 21.753 14.748 1.00 9.31 ? 310 PHE E CZ 1 ATOM 2275 N N . ASP A 1 311 ? 24.502 28.534 14.292 1.00 6.44 ? 311 ASP E N 1 ATOM 2276 C CA . ASP A 1 311 ? 25.431 29.669 14.078 1.00 7.77 ? 311 ASP E CA 1 ATOM 2277 C C . ASP A 1 311 ? 26.293 29.939 15.306 1.00 8.67 ? 311 ASP E C 1 ATOM 2278 O O . ASP A 1 311 ? 25.805 30.221 16.431 1.00 9.11 ? 311 ASP E O 1 ATOM 2279 C CB . ASP A 1 311 ? 24.553 30.859 13.672 1.00 12.81 ? 311 ASP E CB 1 ATOM 2280 C CG . ASP A 1 311 ? 25.304 32.104 13.222 1.00 18.63 ? 311 ASP E CG 1 ATOM 2281 O OD1 . ASP A 1 311 ? 26.534 32.134 13.190 1.00 16.90 ? 311 ASP E OD1 1 ATOM 2282 O OD2 . ASP A 1 311 ? 24.540 33.070 12.882 1.00 15.92 ? 311 ASP E OD2 1 ATOM 2283 N N . SER A 1 312 ? 27.591 29.816 15.045 1.00 9.44 ? 312 SER E N 1 ATOM 2284 C CA . SER A 1 312 ? 28.523 30.045 16.171 1.00 12.14 ? 312 SER E CA 1 ATOM 2285 C C . SER A 1 312 ? 28.489 31.504 16.621 1.00 12.36 ? 312 SER E C 1 ATOM 2286 O O . SER A 1 312 ? 28.942 31.679 17.758 1.00 13.40 ? 312 SER E O 1 ATOM 2287 C CB . SER A 1 312 ? 29.926 29.576 15.902 1.00 13.57 ? 312 SER E CB 1 ATOM 2288 O OG . SER A 1 312 ? 30.572 30.289 14.884 1.00 17.13 ? 312 SER E OG 1 ATOM 2289 N N . ASP A 1 313 ? 28.055 32.469 15.870 1.00 16.29 ? 313 ASP E N 1 ATOM 2290 C CA . ASP A 1 313 ? 28.016 33.892 16.323 1.00 17.56 ? 313 ASP E CA 1 ATOM 2291 C C . ASP A 1 313 ? 26.793 34.112 17.211 1.00 15.84 ? 313 ASP E C 1 ATOM 2292 O O . ASP A 1 313 ? 25.713 34.052 16.612 1.00 17.89 ? 313 ASP E O 1 ATOM 2293 C CB . ASP A 1 313 ? 27.993 34.820 15.113 1.00 26.35 ? 313 ASP E CB 1 ATOM 2294 C CG . ASP A 1 313 ? 29.421 35.088 14.642 1.00 40.67 ? 313 ASP E CG 1 ATOM 2295 O OD1 . ASP A 1 313 ? 29.650 35.369 13.429 1.00 47.06 ? 313 ASP E OD1 1 ATOM 2296 O OD2 . ASP A 1 313 ? 30.344 34.992 15.513 1.00 44.68 ? 313 ASP E OD2 1 ATOM 2297 N N . GLY A 1 314 ? 26.963 34.274 18.516 1.00 14.11 ? 314 GLY E N 1 ATOM 2298 C CA . GLY A 1 314 ? 25.731 34.421 19.370 1.00 14.07 ? 314 GLY E CA 1 ATOM 2299 C C . GLY A 1 314 ? 26.122 33.621 20.635 1.00 16.58 ? 314 GLY E C 1 ATOM 2300 O O . GLY A 1 314 ? 26.484 34.222 21.666 1.00 18.85 ? 314 GLY E O 1 ATOM 2301 N N . PRO A 1 315 ? 26.078 32.291 20.568 1.00 13.83 ? 315 PRO E N 1 ATOM 2302 C CA . PRO A 1 315 ? 25.643 31.519 19.386 1.00 10.56 ? 315 PRO E CA 1 ATOM 2303 C C . PRO A 1 315 ? 24.130 31.592 19.258 1.00 9.36 ? 315 PRO E C 1 ATOM 2304 O O . PRO A 1 315 ? 23.417 32.115 20.166 1.00 10.64 ? 315 PRO E O 1 ATOM 2305 C CB . PRO A 1 315 ? 26.203 30.123 19.685 1.00 10.38 ? 315 PRO E CB 1 ATOM 2306 C CG . PRO A 1 315 ? 26.240 30.033 21.169 1.00 11.88 ? 315 PRO E CG 1 ATOM 2307 C CD . PRO A 1 315 ? 26.464 31.446 21.689 1.00 13.06 ? 315 PRO E CD 1 ATOM 2308 N N . GLN A 1 316 ? 23.572 31.099 18.177 1.00 7.54 ? 316 GLN E N 1 ATOM 2309 C CA . GLN A 1 316 ? 22.105 31.146 17.998 1.00 9.06 ? 316 GLN E CA 1 ATOM 2310 C C . GLN A 1 316 ? 21.670 30.084 16.991 1.00 9.36 ? 316 GLN E C 1 ATOM 2311 O O . GLN A 1 316 ? 22.559 29.564 16.296 1.00 8.38 ? 316 GLN E O 1 ATOM 2312 C CB . GLN A 1 316 ? 21.688 32.547 17.490 1.00 15.55 ? 316 GLN E CB 1 ATOM 2313 C CG . GLN A 1 316 ? 22.299 32.927 16.171 1.00 16.87 ? 316 GLN E CG 1 ATOM 2314 C CD . GLN A 1 316 ? 21.877 34.322 15.668 1.00 20.28 ? 316 GLN E CD 1 ATOM 2315 O OE1 . GLN A 1 316 ? 21.075 35.033 16.261 1.00 19.09 ? 316 GLN E OE1 1 ATOM 2316 N NE2 . GLN A 1 316 ? 22.449 34.673 14.490 1.00 19.71 ? 316 GLN E NE2 1 ATOM 2317 N N . LEU A 1 317 ? 20.381 29.764 16.985 1.00 7.53 ? 317 LEU E N 1 ATOM 2318 C CA . LEU A 1 317 ? 19.883 28.756 16.039 1.00 8.20 ? 317 LEU E CA 1 ATOM 2319 C C . LEU A 1 317 ? 18.806 29.455 15.204 1.00 9.72 ? 317 LEU E C 1 ATOM 2320 O O . LEU A 1 317 ? 18.038 30.200 15.842 1.00 10.34 ? 317 LEU E O 1 ATOM 2321 C CB . LEU A 1 317 ? 19.209 27.640 16.834 1.00 7.14 ? 317 LEU E CB 1 ATOM 2322 C CG . LEU A 1 317 ? 20.038 26.518 17.437 1.00 10.98 ? 317 LEU E CG 1 ATOM 2323 C CD1 . LEU A 1 317 ? 19.178 25.719 18.446 1.00 12.11 ? 317 LEU E CD1 1 ATOM 2324 C CD2 . LEU A 1 317 ? 20.546 25.570 16.348 1.00 9.55 ? 317 LEU E CD2 1 ATOM 2325 N N . GLY A 1 318 ? 18.787 29.234 13.915 1.00 9.35 ? 318 GLY E N 1 ATOM 2326 C CA . GLY A 1 318 ? 17.706 29.854 13.084 1.00 6.77 ? 318 GLY E CA 1 ATOM 2327 C C . GLY A 1 318 ? 16.885 28.655 12.643 1.00 9.38 ? 318 GLY E C 1 ATOM 2328 O O . GLY A 1 318 ? 17.398 27.560 12.349 1.00 10.13 ? 318 GLY E O 1 ATOM 2329 N N . PHE A 1 319 ? 15.574 28.917 12.554 1.00 6.97 ? 319 PHE E N 1 ATOM 2330 C CA . PHE A 1 319 ? 14.585 27.930 12.105 1.00 7.26 ? 319 PHE E CA 1 ATOM 2331 C C . PHE A 1 319 ? 13.629 28.487 10.999 1.00 6.42 ? 319 PHE E C 1 ATOM 2332 O O . PHE A 1 319 ? 13.233 29.657 11.064 1.00 6.68 ? 319 PHE E O 1 ATOM 2333 C CB . PHE A 1 319 ? 13.679 27.518 13.285 1.00 9.07 ? 319 PHE E CB 1 ATOM 2334 C CG . PHE A 1 319 ? 14.358 26.943 14.502 1.00 8.89 ? 319 PHE E CG 1 ATOM 2335 C CD1 . PHE A 1 319 ? 14.547 25.553 14.588 1.00 10.72 ? 319 PHE E CD1 1 ATOM 2336 C CD2 . PHE A 1 319 ? 14.775 27.761 15.531 1.00 7.20 ? 319 PHE E CD2 1 ATOM 2337 C CE1 . PHE A 1 319 ? 15.150 24.991 15.684 1.00 12.59 ? 319 PHE E CE1 1 ATOM 2338 C CE2 . PHE A 1 319 ? 15.373 27.217 16.686 1.00 14.30 ? 319 PHE E CE2 1 ATOM 2339 C CZ . PHE A 1 319 ? 15.534 25.813 16.745 1.00 12.21 ? 319 PHE E CZ 1 ATOM 2340 N N . ALA A 1 320 ? 13.223 27.602 10.106 1.00 8.35 ? 320 ALA E N 1 ATOM 2341 C CA . ALA A 1 320 ? 12.175 27.973 9.087 1.00 8.28 ? 320 ALA E CA 1 ATOM 2342 C C . ALA A 1 320 ? 11.603 26.612 8.636 1.00 8.08 ? 320 ALA E C 1 ATOM 2343 O O . ALA A 1 320 ? 12.362 25.609 8.703 1.00 8.26 ? 320 ALA E O 1 ATOM 2344 C CB . ALA A 1 320 ? 12.733 28.813 7.928 1.00 5.41 ? 320 ALA E CB 1 ATOM 2345 N N . PRO A 1 321 ? 10.401 26.552 8.111 1.00 8.47 ? 321 PRO E N 1 ATOM 2346 C CA . PRO A 1 321 ? 9.847 25.273 7.643 1.00 8.99 ? 321 PRO E CA 1 ATOM 2347 C C . PRO A 1 321 ? 10.632 24.833 6.394 1.00 9.03 ? 321 PRO E C 1 ATOM 2348 O O . PRO A 1 321 ? 10.999 25.626 5.528 1.00 7.23 ? 321 PRO E O 1 ATOM 2349 C CB . PRO A 1 321 ? 8.385 25.570 7.361 1.00 10.58 ? 321 PRO E CB 1 ATOM 2350 C CG . PRO A 1 321 ? 8.155 27.002 7.710 1.00 11.43 ? 321 PRO E CG 1 ATOM 2351 C CD . PRO A 1 321 ? 9.485 27.697 7.968 1.00 8.80 ? 321 PRO E CD 1 ATOM 2352 N N . GLN A 1 322 ? 10.880 23.526 6.302 1.00 10.14 ? 322 GLN E N 1 ATOM 2353 C CA . GLN A 1 322 ? 11.589 22.947 5.163 1.00 11.78 ? 322 GLN E CA 1 ATOM 2354 C C . GLN A 1 322 ? 10.770 23.169 3.899 1.00 14.09 ? 322 GLN E C 1 ATOM 2355 O O . GLN A 1 322 ? 9.531 23.157 4.007 1.00 14.86 ? 322 GLN E O 1 ATOM 2356 C CB . GLN A 1 322 ? 11.889 21.478 5.428 1.00 13.95 ? 322 GLN E CB 1 ATOM 2357 C CG . GLN A 1 322 ? 13.314 21.264 5.912 1.00 15.97 ? 322 GLN E CG 1 ATOM 2358 C CD . GLN A 1 322 ? 13.649 19.778 5.817 1.00 17.06 ? 322 GLN E CD 1 ATOM 2359 O OE1 . GLN A 1 322 ? 13.428 19.171 4.765 1.00 19.68 ? 322 GLN E OE1 1 ATOM 2360 N NE2 . GLN A 1 322 ? 14.094 19.257 6.932 1.00 11.51 ? 322 GLN E NE2 1 ATOM 2361 N N . ALA A 1 323 ? 11.445 23.353 2.776 1.00 16.66 ? 323 ALA E N 1 ATOM 2362 C CA . ALA A 1 323 ? 10.715 23.628 1.522 1.00 20.82 ? 323 ALA E CA 1 ATOM 2363 C C . ALA A 1 323 ? 10.333 22.327 0.814 1.00 26.36 ? 323 ALA E C 1 ATOM 2364 O O . ALA A 1 323 ? 11.097 21.364 1.110 1.00 28.66 ? 323 ALA E O 1 ATOM 2365 C CB . ALA A 1 323 ? 11.605 24.508 0.673 1.00 22.01 ? 323 ALA E CB 1 ATOM 2366 O OXT . ALA A 1 323 ? 9.364 22.339 0.029 1.00 30.46 ? 323 ALA E OXT 1 HETATM 2367 C CA . IVA B 2 1 ? 15.869 4.370 17.652 1.00 25.34 ? 4 IVA I CA 1 HETATM 2368 C CB . IVA B 2 1 ? 14.435 4.496 18.171 1.00 29.91 ? 4 IVA I CB 1 HETATM 2369 C CG1 . IVA B 2 1 ? 13.539 3.353 17.740 1.00 25.97 ? 4 IVA I CG1 1 HETATM 2370 C CG2 . IVA B 2 1 ? 14.368 4.751 19.664 1.00 32.01 ? 4 IVA I CG2 1 HETATM 2371 C C . IVA B 2 1 ? 16.972 4.617 18.670 1.00 26.71 ? 4 IVA I C 1 HETATM 2372 O O . IVA B 2 1 ? 17.035 3.864 19.686 1.00 30.09 ? 4 IVA I O 1 ATOM 2373 N N . VAL B 2 2 ? 17.823 5.597 18.462 1.00 18.90 ? 3 VAL I N 1 ATOM 2374 C CA . VAL B 2 2 ? 18.990 5.860 19.295 1.00 15.52 ? 3 VAL I CA 1 ATOM 2375 C C . VAL B 2 2 ? 18.945 7.194 20.025 1.00 15.08 ? 3 VAL I C 1 ATOM 2376 O O . VAL B 2 2 ? 18.164 8.055 19.563 1.00 10.05 ? 3 VAL I O 1 ATOM 2377 C CB . VAL B 2 2 ? 20.214 5.890 18.314 1.00 20.17 ? 3 VAL I CB 1 ATOM 2378 C CG1 . VAL B 2 2 ? 20.533 4.516 17.730 1.00 25.38 ? 3 VAL I CG1 1 ATOM 2379 C CG2 . VAL B 2 2 ? 20.064 6.831 17.124 1.00 18.34 ? 3 VAL I CG2 1 ATOM 2380 N N . VAL B 2 3 ? 19.766 7.343 21.040 1.00 11.78 ? 2 VAL I N 1 ATOM 2381 C CA . VAL B 2 3 ? 19.857 8.671 21.726 1.00 12.29 ? 2 VAL I CA 1 ATOM 2382 C C . VAL B 2 3 ? 21.370 8.995 21.810 1.00 15.03 ? 2 VAL I C 1 ATOM 2383 O O . VAL B 2 3 ? 21.960 8.464 22.775 1.00 15.33 ? 2 VAL I O 1 ATOM 2384 C CB . VAL B 2 3 ? 19.158 8.667 23.069 1.00 10.87 ? 2 VAL I CB 1 ATOM 2385 C CG1 . VAL B 2 3 ? 19.064 10.053 23.746 1.00 11.68 ? 2 VAL I CG1 1 ATOM 2386 C CG2 . VAL B 2 3 ? 17.759 8.109 22.957 1.00 11.66 ? 2 VAL I CG2 1 HETATM 2387 N N . 32L B 2 4 ? 21.900 9.775 20.885 1.00 13.79 ? 1 32L I N 1 HETATM 2388 C CA . 32L B 2 4 ? 23.340 10.117 20.875 1.00 15.19 ? 1 32L I CA 1 HETATM 2389 C CB . 32L B 2 4 ? 23.974 9.653 19.550 1.00 15.57 ? 1 32L I CB 1 HETATM 2390 C CG . 32L B 2 4 ? 23.768 8.178 19.241 1.00 20.43 ? 1 32L I CG 1 HETATM 2391 C CD1 . 32L B 2 4 ? 24.237 7.853 17.832 1.00 22.11 ? 1 32L I CD1 1 HETATM 2392 C CD2 . 32L B 2 4 ? 24.468 7.282 20.276 1.00 19.09 ? 1 32L I CD2 1 HETATM 2393 C CH . 32L B 2 4 ? 23.483 11.637 21.104 1.00 18.49 ? 1 32L I CH 1 HETATM 2394 O OH . 32L B 2 4 ? 23.031 12.414 20.168 1.00 13.30 ? 1 32L I OH 1 HETATM 2395 C CM . 32L B 2 4 ? 22.643 11.806 22.374 1.00 25.09 ? 1 32L I CM 1 HETATM 2396 C C . 32L B 2 4 ? 23.603 12.326 23.428 1.00 34.40 ? 1 32L I C 1 HETATM 2397 O O . 32L B 2 4 ? 23.936 11.470 24.305 1.00 36.93 ? 1 32L I O 1 HETATM 2398 O OXT . 32L B 2 4 ? 23.226 13.602 23.634 1.00 35.72 ? 1 32L I OXT 1 HETATM 2399 C C9 . 32L B 2 4 ? 22.095 13.865 24.563 1.00 35.90 ? 1 32L I C9 1 HETATM 2400 C C10 . 32L B 2 4 ? 22.540 14.783 25.690 1.00 34.85 ? 1 32L I C10 1 HETATM 2401 C C1 . MAN C 3 . ? 30.089 27.742 -0.555 1.00 16.80 ? 401 MAN I C1 1 HETATM 2402 C C2 . MAN C 3 . ? 30.142 27.237 -1.982 1.00 19.75 ? 401 MAN I C2 1 HETATM 2403 C C3 . MAN C 3 . ? 31.558 27.422 -2.545 1.00 21.33 ? 401 MAN I C3 1 HETATM 2404 C C4 . MAN C 3 . ? 31.994 28.886 -2.388 1.00 18.90 ? 401 MAN I C4 1 HETATM 2405 C C5 . MAN C 3 . ? 31.958 29.203 -0.895 1.00 19.20 ? 401 MAN I C5 1 HETATM 2406 C C6 . MAN C 3 . ? 32.413 30.616 -0.508 1.00 22.13 ? 401 MAN I C6 1 HETATM 2407 O O2 . MAN C 3 . ? 29.185 28.119 -2.663 1.00 23.45 ? 401 MAN I O2 1 HETATM 2408 O O3 . MAN C 3 . ? 31.534 27.108 -3.947 1.00 24.21 ? 401 MAN I O3 1 HETATM 2409 O O4 . MAN C 3 . ? 33.317 29.040 -2.889 1.00 20.57 ? 401 MAN I O4 1 HETATM 2410 O O5 . MAN C 3 . ? 30.578 29.072 -0.435 1.00 17.64 ? 401 MAN I O5 1 HETATM 2411 O O6 . MAN C 3 . ? 31.425 31.545 -0.958 1.00 24.42 ? 401 MAN I O6 1 HETATM 2412 O O . HOH D 4 . ? 33.920 16.470 15.264 1.00 3.92 ? 501 HOH E O 1 HETATM 2413 O O . HOH D 4 . ? 46.447 8.014 21.891 1.00 5.62 ? 502 HOH E O 1 HETATM 2414 O O . HOH D 4 . ? 35.495 16.036 17.731 1.00 7.93 ? 503 HOH E O 1 HETATM 2415 O O . HOH D 4 . ? 23.057 19.948 20.873 1.00 9.74 ? 504 HOH E O 1 HETATM 2416 O O . HOH D 4 . ? 13.472 9.805 12.764 0.92 4.39 ? 505 HOH E O 1 HETATM 2417 O O . HOH D 4 . ? 16.693 19.365 9.438 0.96 5.73 ? 506 HOH E O 1 HETATM 2418 O O . HOH D 4 . ? 37.748 14.484 17.967 1.00 10.85 ? 507 HOH E O 1 HETATM 2419 O O . HOH D 4 . ? 24.317 23.818 26.853 1.00 8.93 ? 508 HOH E O 1 HETATM 2420 O O . HOH D 4 . ? 16.484 30.318 23.044 1.00 11.54 ? 509 HOH E O 1 HETATM 2421 O O . HOH D 4 . ? 40.869 18.344 16.494 0.98 9.20 ? 510 HOH E O 1 HETATM 2422 O O . HOH D 4 . ? 2.286 26.828 21.703 1.00 12.65 ? 511 HOH E O 1 HETATM 2423 O O . HOH D 4 . ? 36.035 3.056 2.531 0.99 10.32 ? 512 HOH E O 1 HETATM 2424 O O . HOH D 4 . ? 8.925 18.650 27.471 0.80 8.66 ? 513 HOH E O 1 HETATM 2425 O O . HOH D 4 . ? 13.650 31.163 1.613 0.97 12.91 ? 514 HOH E O 1 HETATM 2426 O O . HOH D 4 . ? 22.305 22.805 0.034 0.84 6.82 ? 515 HOH E O 1 HETATM 2427 O O . HOH D 4 . ? 31.406 14.688 23.745 1.00 12.62 ? 516 HOH E O 1 HETATM 2428 O O . HOH D 4 . ? 44.381 9.666 29.062 0.80 23.40 ? 517 HOH E O 1 HETATM 2429 O O . HOH D 4 . ? 17.689 13.281 4.775 1.00 7.75 ? 518 HOH E O 1 HETATM 2430 O O . HOH D 4 . ? -1.912 9.320 28.223 0.52 22.93 ? 519 HOH E O 1 HETATM 2431 O O . HOH D 4 . ? 28.067 7.030 1.471 0.98 16.62 ? 520 HOH E O 1 HETATM 2432 O O . HOH D 4 . ? 30.896 1.600 5.304 0.93 13.24 ? 521 HOH E O 1 HETATM 2433 O O . HOH D 4 . ? 14.691 8.746 27.182 0.75 13.53 ? 522 HOH E O 1 HETATM 2434 O O . HOH D 4 . ? 11.033 31.305 10.539 1.00 18.97 ? 523 HOH E O 1 HETATM 2435 O O . HOH D 4 . ? 8.928 10.727 10.740 0.81 9.45 ? 524 HOH E O 1 HETATM 2436 O O . HOH D 4 . ? 18.752 29.544 25.535 0.71 13.80 ? 525 HOH E O 1 HETATM 2437 O O . HOH D 4 . ? 30.490 25.467 25.470 1.00 14.48 ? 526 HOH E O 1 HETATM 2438 O O . HOH D 4 . ? 42.226 19.664 18.855 0.79 11.69 ? 527 HOH E O 1 HETATM 2439 O O . HOH D 4 . ? 31.404 22.367 17.427 1.00 17.95 ? 528 HOH E O 1 HETATM 2440 O O . HOH D 4 . ? -3.595 18.825 15.912 0.89 15.41 ? 529 HOH E O 1 HETATM 2441 O O . HOH D 4 . ? 7.020 24.968 11.019 0.93 15.57 ? 530 HOH E O 1 HETATM 2442 O O . HOH D 4 . ? 21.449 10.956 12.733 1.00 13.43 ? 531 HOH E O 1 HETATM 2443 O O . HOH D 4 . ? 37.261 4.692 0.682 0.98 14.47 ? 532 HOH E O 1 HETATM 2444 O O . HOH D 4 . ? 7.974 7.007 26.132 0.91 15.34 ? 533 HOH E O 1 HETATM 2445 O O . HOH D 4 . ? 12.010 31.084 22.724 1.00 19.65 ? 534 HOH E O 1 HETATM 2446 O O . HOH D 4 . ? 16.430 34.881 5.687 1.00 16.80 ? 535 HOH E O 1 HETATM 2447 O O . HOH D 4 . ? 28.921 0.619 7.787 1.00 20.30 ? 536 HOH E O 1 HETATM 2448 O O . HOH D 4 . ? 34.205 15.400 0.247 1.00 19.91 ? 537 HOH E O 1 HETATM 2449 O O . HOH D 4 . ? 37.759 0.905 3.203 0.71 12.71 ? 538 HOH E O 1 HETATM 2450 O O . HOH D 4 . ? -2.333 21.020 17.434 0.86 19.80 ? 539 HOH E O 1 HETATM 2451 O O . HOH D 4 . ? 12.379 15.649 32.743 1.00 18.11 ? 540 HOH E O 1 HETATM 2452 O O . HOH D 4 . ? 12.057 19.759 28.898 0.90 15.86 ? 541 HOH E O 1 HETATM 2453 O O . HOH D 4 . ? 3.253 26.417 19.413 0.92 16.65 ? 542 HOH E O 1 HETATM 2454 O O . HOH D 4 . ? 45.703 -1.295 14.111 0.75 14.92 ? 543 HOH E O 1 HETATM 2455 O O . HOH D 4 . ? 19.559 9.482 14.884 0.92 10.56 ? 544 HOH E O 1 HETATM 2456 O O . HOH D 4 . ? 0.463 8.387 32.258 0.66 39.60 ? 545 HOH E O 1 HETATM 2457 O O . HOH D 4 . ? 18.423 27.029 26.831 0.88 20.89 ? 546 HOH E O 1 HETATM 2458 O O . HOH D 4 . ? 39.789 16.480 29.170 0.70 20.82 ? 547 HOH E O 1 HETATM 2459 O O . HOH D 4 . ? 25.126 11.995 9.282 1.00 17.69 ? 548 HOH E O 1 HETATM 2460 O O . HOH D 4 . ? 14.327 22.367 30.674 1.00 19.38 ? 549 HOH E O 1 HETATM 2461 O O . HOH D 4 . ? -7.894 8.295 23.930 0.95 33.65 ? 550 HOH E O 1 HETATM 2462 O O . HOH D 4 . ? 9.690 31.016 7.879 1.00 26.79 ? 551 HOH E O 1 HETATM 2463 O O . HOH D 4 . ? 51.439 13.055 23.240 1.00 23.96 ? 552 HOH E O 1 HETATM 2464 O O . HOH D 4 . ? -0.101 26.391 18.743 0.89 28.90 ? 553 HOH E O 1 HETATM 2465 O O . HOH D 4 . ? 22.947 13.122 11.285 0.89 9.74 ? 554 HOH E O 1 HETATM 2466 O O . HOH D 4 . ? 46.506 18.217 22.482 0.98 23.48 ? 555 HOH E O 1 HETATM 2467 O O . HOH D 4 . ? 18.441 22.389 27.427 0.67 26.11 ? 556 HOH E O 1 HETATM 2468 O O . HOH D 4 . ? 28.066 4.137 33.254 0.83 16.91 ? 557 HOH E O 1 HETATM 2469 O O . HOH D 4 . ? 53.099 2.088 9.066 0.69 35.29 ? 558 HOH E O 1 HETATM 2470 O O . HOH D 4 . ? 38.551 7.885 -0.493 0.98 17.91 ? 559 HOH E O 1 HETATM 2471 O O . HOH D 4 . ? 23.245 33.076 10.454 0.73 19.41 ? 560 HOH E O 1 HETATM 2472 O O . HOH D 4 . ? 1.206 -1.214 28.203 0.67 16.53 ? 561 HOH E O 1 HETATM 2473 O O . HOH D 4 . ? 34.952 -3.951 21.561 0.81 17.53 ? 562 HOH E O 1 HETATM 2474 O O . HOH D 4 . ? 27.599 33.691 11.531 0.94 24.69 ? 563 HOH E O 1 HETATM 2475 O O . HOH D 4 . ? 27.798 1.661 14.946 0.81 11.80 ? 564 HOH E O 1 HETATM 2476 O O . HOH D 4 . ? 33.172 25.538 20.699 0.80 21.33 ? 565 HOH E O 1 HETATM 2477 O O . HOH D 4 . ? 25.133 32.094 3.179 0.79 20.07 ? 566 HOH E O 1 HETATM 2478 O O . HOH D 4 . ? 42.155 -8.843 15.451 0.79 36.55 ? 567 HOH E O 1 HETATM 2479 O O . HOH D 4 . ? 40.108 27.132 10.075 0.98 29.67 ? 568 HOH E O 1 HETATM 2480 O O . HOH D 4 . ? 0.082 22.127 17.213 0.83 20.23 ? 569 HOH E O 1 HETATM 2481 O O . HOH D 4 . ? 15.273 36.468 14.122 0.57 11.46 ? 570 HOH E O 1 HETATM 2482 O O . HOH D 4 . ? 30.693 23.098 28.794 0.96 29.59 ? 571 HOH E O 1 HETATM 2483 O O . HOH D 4 . ? 39.016 20.938 28.609 0.69 39.48 ? 572 HOH E O 1 HETATM 2484 O O . HOH D 4 . ? 42.303 22.855 8.968 0.96 24.09 ? 573 HOH E O 1 HETATM 2485 O O . HOH D 4 . ? 16.981 10.286 27.733 1.00 37.65 ? 574 HOH E O 1 HETATM 2486 O O . HOH D 4 . ? 47.873 5.780 21.732 0.68 19.22 ? 575 HOH E O 1 HETATM 2487 O O . HOH D 4 . ? 1.845 -3.456 25.324 0.98 32.00 ? 576 HOH E O 1 HETATM 2488 O O . HOH D 4 . ? 34.571 13.610 29.667 0.48 20.22 ? 577 HOH E O 1 HETATM 2489 O O . HOH D 4 . ? -6.274 0.852 18.733 0.47 17.08 ? 578 HOH E O 1 HETATM 2490 O O . HOH D 4 . ? 47.958 20.766 30.963 1.00 37.70 ? 579 HOH E O 1 HETATM 2491 O O . HOH D 4 . ? 47.964 1.636 16.470 0.87 34.90 ? 580 HOH E O 1 HETATM 2492 O O . HOH D 4 . ? 41.099 12.724 4.111 0.89 28.60 ? 581 HOH E O 1 HETATM 2493 O O . HOH D 4 . ? 31.417 14.335 2.510 0.91 19.01 ? 582 HOH E O 1 HETATM 2494 O O . HOH D 4 . ? 36.746 12.543 29.718 1.00 33.62 ? 583 HOH E O 1 HETATM 2495 O O . HOH D 4 . ? -6.732 16.230 19.157 0.99 37.35 ? 584 HOH E O 1 HETATM 2496 O O . HOH D 4 . ? -2.747 16.017 12.400 0.83 21.79 ? 585 HOH E O 1 HETATM 2497 O O . HOH D 4 . ? 24.276 17.513 -3.172 1.00 35.35 ? 586 HOH E O 1 HETATM 2498 O O . HOH D 4 . ? 9.955 13.518 32.199 0.81 18.91 ? 587 HOH E O 1 HETATM 2499 O O . HOH D 4 . ? -5.406 7.425 24.403 0.85 34.73 ? 588 HOH E O 1 HETATM 2500 O O . HOH D 4 . ? 38.678 27.541 13.348 0.58 9.78 ? 589 HOH E O 1 HETATM 2501 O O . HOH D 4 . ? 46.078 5.497 24.977 0.64 20.65 ? 590 HOH E O 1 HETATM 2502 O O . HOH D 4 . ? 34.187 31.996 9.532 0.89 20.75 ? 591 HOH E O 1 HETATM 2503 O O . HOH D 4 . ? 22.318 23.465 28.488 1.00 34.70 ? 592 HOH E O 1 HETATM 2504 O O . HOH D 4 . ? 7.568 1.296 27.354 1.00 25.19 ? 593 HOH E O 1 HETATM 2505 O O . HOH D 4 . ? 10.261 7.388 10.194 1.00 30.25 ? 594 HOH E O 1 HETATM 2506 O O . HOH D 4 . ? 32.223 32.474 15.495 1.00 24.55 ? 595 HOH E O 1 HETATM 2507 O O . HOH D 4 . ? 42.600 -6.032 16.202 1.00 29.31 ? 596 HOH E O 1 HETATM 2508 O O . HOH D 4 . ? 37.323 -4.361 22.191 0.73 23.68 ? 597 HOH E O 1 HETATM 2509 O O . HOH D 4 . ? 38.019 21.073 23.526 0.81 20.81 ? 598 HOH E O 1 HETATM 2510 O O . HOH D 4 . ? 34.174 12.809 1.437 0.95 31.77 ? 599 HOH E O 1 HETATM 2511 O O . HOH D 4 . ? 24.739 9.750 2.326 0.58 18.67 ? 600 HOH E O 1 HETATM 2512 O O . HOH D 4 . ? 0.416 29.314 24.312 0.92 24.89 ? 601 HOH E O 1 HETATM 2513 O O . HOH D 4 . ? 7.644 21.744 7.795 0.57 12.97 ? 602 HOH E O 1 HETATM 2514 O O . HOH D 4 . ? 5.007 21.817 9.546 1.00 40.59 ? 603 HOH E O 1 HETATM 2515 O O . HOH D 4 . ? 42.277 4.013 6.957 0.86 18.25 ? 604 HOH E O 1 HETATM 2516 O O . HOH D 4 . ? 7.775 22.273 5.376 0.74 26.49 ? 605 HOH E O 1 HETATM 2517 O O . HOH D 4 . ? 22.553 21.424 -2.334 0.87 22.85 ? 606 HOH E O 1 HETATM 2518 O O . HOH D 4 . ? 14.531 21.354 2.041 0.77 33.25 ? 607 HOH E O 1 HETATM 2519 O O . HOH D 4 . ? -7.527 22.731 25.593 0.69 18.63 ? 608 HOH E O 1 HETATM 2520 O O . HOH D 4 . ? 0.229 1.565 28.328 0.65 19.22 ? 609 HOH E O 1 HETATM 2521 O O . HOH D 4 . ? 16.076 15.154 -1.321 0.55 17.26 ? 610 HOH E O 1 HETATM 2522 O O . HOH D 4 . ? 43.750 3.484 24.983 0.57 18.00 ? 611 HOH E O 1 HETATM 2523 O O . HOH D 4 . ? 54.964 12.268 21.975 0.58 13.82 ? 612 HOH E O 1 HETATM 2524 O O . HOH D 4 . ? 10.982 28.679 28.430 1.00 34.04 ? 613 HOH E O 1 HETATM 2525 O O . HOH D 4 . ? 44.766 5.729 6.992 0.63 21.70 ? 614 HOH E O 1 HETATM 2526 O O . HOH D 4 . ? 41.510 26.651 13.630 1.00 42.26 ? 615 HOH E O 1 HETATM 2527 O O . HOH D 4 . ? 32.410 0.242 25.324 0.67 23.12 ? 616 HOH E O 1 HETATM 2528 O O . HOH D 4 . ? 37.110 17.904 28.401 0.71 34.95 ? 617 HOH E O 1 HETATM 2529 O O . HOH D 4 . ? 25.633 35.724 12.407 0.64 20.88 ? 618 HOH E O 1 HETATM 2530 O O . HOH D 4 . ? 19.102 34.951 18.264 0.63 20.10 ? 619 HOH E O 1 HETATM 2531 O O . HOH D 4 . ? -8.859 16.784 22.868 0.92 37.12 ? 620 HOH E O 1 HETATM 2532 O O . HOH D 4 . ? 22.452 -2.597 11.565 0.94 38.49 ? 621 HOH E O 1 HETATM 2533 O O . HOH D 4 . ? 6.449 9.769 8.644 0.87 37.24 ? 622 HOH E O 1 HETATM 2534 O O . HOH D 4 . ? 18.974 17.341 34.452 0.56 27.89 ? 623 HOH E O 1 HETATM 2535 O O . HOH D 4 . ? 6.825 6.798 28.388 0.83 36.45 ? 624 HOH E O 1 HETATM 2536 O O . HOH D 4 . ? 24.643 14.758 -2.841 1.00 25.34 ? 625 HOH E O 1 HETATM 2537 O O . HOH D 4 . ? -0.705 18.034 9.973 0.84 33.85 ? 626 HOH E O 1 HETATM 2538 O O . HOH D 4 . ? 37.812 -0.787 5.575 0.63 17.77 ? 627 HOH E O 1 HETATM 2539 O O . HOH D 4 . ? 34.315 2.540 27.676 0.88 42.59 ? 628 HOH E O 1 HETATM 2540 O O . HOH D 4 . ? 52.662 11.903 20.798 0.56 18.90 ? 629 HOH E O 1 HETATM 2541 O O . HOH D 4 . ? 38.007 16.151 28.090 0.71 28.11 ? 630 HOH E O 1 HETATM 2542 O O . HOH D 4 . ? 31.458 25.862 28.701 1.00 46.50 ? 631 HOH E O 1 HETATM 2543 O O . HOH D 4 . ? 25.699 30.937 25.130 0.71 25.07 ? 632 HOH E O 1 HETATM 2544 O O . HOH D 4 . ? 51.218 7.368 10.498 0.78 42.45 ? 633 HOH E O 1 HETATM 2545 O O . HOH D 4 . ? 12.047 7.132 25.651 0.70 26.00 ? 634 HOH E O 1 HETATM 2546 O O . HOH D 4 . ? 17.070 1.467 10.682 0.97 40.24 ? 635 HOH E O 1 HETATM 2547 O O . HOH D 4 . ? -0.244 15.535 9.146 0.70 22.04 ? 636 HOH E O 1 HETATM 2548 O O . HOH D 4 . ? 48.052 15.018 11.398 0.85 24.17 ? 637 HOH E O 1 HETATM 2549 O O . HOH D 4 . ? 38.074 -11.489 16.085 0.80 28.91 ? 638 HOH E O 1 HETATM 2550 O O . HOH D 4 . ? -4.878 23.994 26.249 0.73 28.52 ? 639 HOH E O 1 HETATM 2551 O O . HOH D 4 . ? 42.248 20.301 15.556 0.89 31.02 ? 640 HOH E O 1 HETATM 2552 O O . HOH D 4 . ? 0.644 20.783 9.323 0.72 37.79 ? 641 HOH E O 1 HETATM 2553 O O . HOH D 4 . ? 34.442 32.308 14.140 0.89 37.44 ? 642 HOH E O 1 HETATM 2554 O O . HOH D 4 . ? 32.837 -3.438 24.906 0.72 35.11 ? 643 HOH E O 1 HETATM 2555 O O . HOH D 4 . ? 27.032 -3.393 25.966 1.00 43.41 ? 644 HOH E O 1 HETATM 2556 O O . HOH D 4 . ? -4.326 2.857 18.296 0.59 14.24 ? 645 HOH E O 1 HETATM 2557 O O . HOH D 4 . ? -0.690 7.584 11.531 0.92 41.51 ? 646 HOH E O 1 HETATM 2558 O O . HOH D 4 . ? 20.928 32.508 1.631 0.63 28.39 ? 647 HOH E O 1 HETATM 2559 O O . HOH D 4 . ? 27.527 24.927 34.241 0.78 39.81 ? 648 HOH E O 1 HETATM 2560 O O . HOH D 4 . ? -8.734 5.493 23.397 0.96 46.41 ? 649 HOH E O 1 HETATM 2561 O O . HOH D 4 . ? 10.335 1.453 26.792 0.86 27.22 ? 650 HOH E O 1 HETATM 2562 O O . HOH D 4 . ? 36.308 -4.233 7.811 0.65 23.39 ? 651 HOH E O 1 HETATM 2563 O O . HOH D 4 . ? 13.111 3.964 1.370 0.75 28.06 ? 652 HOH E O 1 HETATM 2564 O O . HOH D 4 . ? 34.322 -0.655 2.427 1.00 46.72 ? 653 HOH E O 1 HETATM 2565 O O . HOH D 4 . ? 41.263 0.789 6.450 0.70 34.39 ? 654 HOH E O 1 HETATM 2566 O O . HOH D 4 . ? 11.989 34.246 1.435 0.83 27.26 ? 655 HOH E O 1 HETATM 2567 O O . HOH D 4 . ? 36.420 15.194 30.870 0.89 29.71 ? 656 HOH E O 1 HETATM 2568 O O . HOH D 4 . ? 40.739 15.670 31.235 1.00 36.12 ? 657 HOH E O 1 HETATM 2569 O O . HOH D 4 . ? 6.317 22.473 30.355 0.82 25.75 ? 658 HOH E O 1 HETATM 2570 O O . HOH D 4 . ? 26.834 13.969 24.710 0.68 22.03 ? 659 HOH E O 1 HETATM 2571 O O . HOH D 4 . ? 35.930 -8.201 22.782 0.64 39.30 ? 660 HOH E O 1 HETATM 2572 O O . HOH D 4 . ? 16.593 34.692 22.288 0.60 20.37 ? 661 HOH E O 1 HETATM 2573 O O . HOH D 4 . ? 28.444 31.750 3.393 0.61 19.78 ? 662 HOH E O 1 HETATM 2574 O O . HOH D 4 . ? 22.195 34.148 3.839 0.39 12.50 ? 663 HOH E O 1 HETATM 2575 O O . HOH D 4 . ? 20.715 23.606 -3.677 0.52 12.72 ? 664 HOH E O 1 HETATM 2576 O O . HOH D 4 . ? 15.047 33.345 2.349 0.49 13.03 ? 665 HOH E O 1 HETATM 2577 O O . HOH D 4 . ? 23.581 27.785 -2.457 0.59 36.71 ? 666 HOH E O 1 HETATM 2578 O O . HOH D 4 . ? 40.818 9.618 -1.442 0.60 35.20 ? 667 HOH E O 1 HETATM 2579 O O . HOH D 4 . ? 9.511 11.256 1.616 0.58 21.45 ? 668 HOH E O 1 HETATM 2580 O O . HOH D 4 . ? 30.574 20.795 -1.601 0.64 19.19 ? 669 HOH E O 1 HETATM 2581 O O . HOH D 4 . ? 33.336 22.141 -1.005 0.50 19.44 ? 670 HOH E O 1 HETATM 2582 O O . HOH D 4 . ? 43.543 19.465 1.084 0.57 30.62 ? 671 HOH E O 1 HETATM 2583 O O . HOH D 4 . ? 29.248 31.238 0.843 0.64 19.65 ? 672 HOH E O 1 HETATM 2584 O O . HOH D 4 . ? 6.218 23.309 0.106 0.53 36.20 ? 673 HOH E O 1 HETATM 2585 O O . HOH D 4 . ? 10.677 14.840 4.202 0.59 16.35 ? 674 HOH E O 1 HETATM 2586 O O . HOH D 4 . ? 46.695 12.372 6.146 0.44 12.62 ? 675 HOH E O 1 HETATM 2587 O O . HOH D 4 . ? 11.387 16.842 5.389 0.67 20.70 ? 676 HOH E O 1 HETATM 2588 O O . HOH D 4 . ? 8.838 34.321 7.214 0.50 20.63 ? 677 HOH E O 1 HETATM 2589 O O . HOH D 4 . ? 20.087 34.603 8.064 0.55 10.08 ? 678 HOH E O 1 HETATM 2590 O O . HOH D 4 . ? 46.297 16.529 8.664 0.63 14.18 ? 679 HOH E O 1 HETATM 2591 O O . HOH D 4 . ? 3.562 8.706 8.574 0.53 25.55 ? 680 HOH E O 1 HETATM 2592 O O . HOH D 4 . ? 48.522 12.758 9.887 0.61 24.43 ? 681 HOH E O 1 HETATM 2593 O O . HOH D 4 . ? 28.280 -8.046 11.119 0.51 35.35 ? 682 HOH E O 1 HETATM 2594 O O . HOH D 4 . ? 4.506 27.407 11.392 0.70 38.79 ? 683 HOH E O 1 HETATM 2595 O O . HOH D 4 . ? 20.018 2.677 11.797 0.60 20.38 ? 684 HOH E O 1 HETATM 2596 O O . HOH D 4 . ? -5.336 17.943 12.504 0.63 15.23 ? 685 HOH E O 1 HETATM 2597 O O . HOH D 4 . ? 11.053 -1.814 12.147 0.46 22.61 ? 686 HOH E O 1 HETATM 2598 O O . HOH D 4 . ? -7.556 8.150 13.952 0.54 21.83 ? 687 HOH E O 1 HETATM 2599 O O . HOH D 4 . ? 13.886 1.819 14.061 0.72 28.54 ? 688 HOH E O 1 HETATM 2600 O O . HOH D 4 . ? 19.651 36.999 15.159 0.35 9.62 ? 689 HOH E O 1 HETATM 2601 O O . HOH D 4 . ? 21.776 8.915 15.622 0.82 7.15 ? 690 HOH E O 1 HETATM 2602 O O . HOH D 4 . ? 3.901 32.181 15.142 0.59 10.88 ? 691 HOH E O 1 HETATM 2603 O O . HOH D 4 . ? 21.852 -2.150 15.444 0.60 34.81 ? 692 HOH E O 1 HETATM 2604 O O . HOH D 4 . ? 41.213 26.156 16.376 0.51 23.00 ? 693 HOH E O 1 HETATM 2605 O O . HOH D 4 . ? 51.605 13.443 17.232 0.54 22.93 ? 694 HOH E O 1 HETATM 2606 O O . HOH D 4 . ? 14.379 36.458 17.329 0.48 24.09 ? 695 HOH E O 1 HETATM 2607 O O . HOH D 4 . ? 27.005 -8.250 17.797 0.65 27.72 ? 696 HOH E O 1 HETATM 2608 O O . HOH D 4 . ? 38.221 27.211 17.164 0.70 36.26 ? 697 HOH E O 1 HETATM 2609 O O . HOH D 4 . ? -6.934 9.154 17.898 0.61 21.38 ? 698 HOH E O 1 HETATM 2610 O O . HOH D 4 . ? 45.517 18.521 18.758 0.63 15.95 ? 699 HOH E O 1 HETATM 2611 O O . HOH D 4 . ? 30.521 11.528 19.608 0.74 10.12 ? 700 HOH E O 1 HETATM 2612 O O . HOH D 4 . ? -9.221 2.952 20.218 0.54 21.46 ? 701 HOH E O 1 HETATM 2613 O O . HOH D 4 . ? 29.930 29.975 19.768 0.40 10.13 ? 702 HOH E O 1 HETATM 2614 O O . HOH D 4 . ? 22.994 34.102 21.954 0.55 16.74 ? 703 HOH E O 1 HETATM 2615 O O . HOH D 4 . ? 33.376 25.089 23.347 0.53 8.16 ? 704 HOH E O 1 HETATM 2616 O O . HOH D 4 . ? -8.888 24.971 25.637 0.80 17.21 ? 705 HOH E O 1 HETATM 2617 O O . HOH D 4 . ? 15.639 32.523 24.661 0.52 12.10 ? 706 HOH E O 1 HETATM 2618 O O . HOH D 4 . ? 6.962 15.657 33.610 0.49 24.41 ? 707 HOH E O 1 HETATM 2619 O O . HOH D 4 . ? 34.469 1.660 25.647 0.39 11.90 ? 708 HOH E O 1 HETATM 2620 O O . HOH D 4 . ? 27.909 32.243 25.245 0.45 24.56 ? 709 HOH E O 1 HETATM 2621 O O . HOH D 4 . ? 37.315 22.553 26.647 0.49 23.41 ? 710 HOH E O 1 HETATM 2622 O O . HOH D 4 . ? 9.903 4.855 26.296 0.46 16.55 ? 711 HOH E O 1 HETATM 2623 O O . HOH D 4 . ? 1.012 28.248 27.170 0.53 15.92 ? 712 HOH E O 1 HETATM 2624 O O . HOH D 4 . ? 29.190 5.242 31.533 0.54 19.45 ? 713 HOH E O 1 HETATM 2625 O O . HOH D 4 . ? 27.485 18.387 28.868 0.62 10.45 ? 714 HOH E O 1 HETATM 2626 O O . HOH D 4 . ? -4.175 15.397 28.694 0.56 25.49 ? 715 HOH E O 1 HETATM 2627 O O . HOH D 4 . ? 3.138 20.260 30.604 0.40 26.68 ? 716 HOH E O 1 HETATM 2628 O O . HOH D 4 . ? 22.439 6.614 29.501 0.91 31.23 ? 717 HOH E O 1 HETATM 2629 O O . HOH D 4 . ? 3.698 8.944 29.305 0.65 29.70 ? 718 HOH E O 1 HETATM 2630 O O . HOH D 4 . ? 5.817 9.001 29.282 0.52 19.16 ? 719 HOH E O 1 HETATM 2631 O O . HOH D 4 . ? 34.571 10.780 29.667 0.43 17.23 ? 720 HOH E O 1 HETATM 2632 O O . HOH D 4 . ? 5.761 8.001 4.872 0.48 21.65 ? 721 HOH E O 1 HETATM 2633 O O . HOH D 4 . ? 23.958 34.499 5.425 0.49 28.87 ? 722 HOH E O 1 HETATM 2634 O O . HOH D 4 . ? 27.527 2.267 5.914 0.47 16.32 ? 723 HOH E O 1 HETATM 2635 O O . HOH D 4 . ? 28.525 14.207 0.755 0.51 8.32 ? 724 HOH E O 1 HETATM 2636 O O . HOH D 4 . ? 30.867 35.969 4.357 0.37 12.81 ? 725 HOH E O 1 HETATM 2637 O O . HOH D 4 . ? 4.399 24.937 -2.355 0.30 20.33 ? 726 HOH E O 1 HETATM 2638 O O . HOH D 4 . ? 31.859 -0.310 2.688 0.40 13.81 ? 727 HOH E O 1 HETATM 2639 O O . HOH D 4 . ? 42.150 22.647 1.955 0.58 26.46 ? 728 HOH E O 1 HETATM 2640 O O . HOH D 4 . ? 40.060 3.581 0.937 0.64 23.29 ? 729 HOH E O 1 HETATM 2641 O O . HOH D 4 . ? 7.671 24.502 3.145 0.63 34.83 ? 730 HOH E O 1 HETATM 2642 O O . HOH D 4 . ? 8.573 18.151 6.182 0.28 9.17 ? 731 HOH E O 1 HETATM 2643 O O . HOH D 4 . ? 4.648 14.561 6.405 0.53 24.94 ? 732 HOH E O 1 HETATM 2644 O O . HOH D 4 . ? 42.342 -1.589 6.831 0.48 32.43 ? 733 HOH E O 1 HETATM 2645 O O . HOH D 4 . ? 49.608 11.392 6.476 0.36 21.14 ? 734 HOH E O 1 HETATM 2646 O O . HOH D 4 . ? 24.668 5.649 28.612 0.56 16.96 ? 735 HOH E O 1 HETATM 2647 O O . HOH D 4 . ? -2.560 0.350 8.646 0.51 27.39 ? 736 HOH E O 1 HETATM 2648 O O . HOH D 4 . ? 40.831 24.815 8.572 0.48 20.97 ? 737 HOH E O 1 HETATM 2649 O O . HOH D 4 . ? 15.670 36.341 9.314 0.38 13.62 ? 738 HOH E O 1 HETATM 2650 O O . HOH D 4 . ? -4.446 9.009 9.353 0.51 25.99 ? 739 HOH E O 1 HETATM 2651 O O . HOH D 4 . ? 24.266 34.625 8.955 0.62 23.06 ? 740 HOH E O 1 HETATM 2652 O O . HOH D 4 . ? 10.434 -3.377 10.656 0.33 21.03 ? 741 HOH E O 1 HETATM 2653 O O . HOH D 4 . ? -1.981 20.798 10.615 0.43 20.20 ? 742 HOH E O 1 HETATM 2654 O O . HOH D 4 . ? -0.359 7.116 29.115 0.53 26.52 ? 743 HOH E O 1 HETATM 2655 O O . HOH D 4 . ? 15.512 37.645 11.143 0.42 22.16 ? 744 HOH E O 1 HETATM 2656 O O . HOH D 4 . ? 34.083 33.591 12.067 0.50 24.64 ? 745 HOH E O 1 HETATM 2657 O O . HOH D 4 . ? 14.645 -1.024 12.592 0.28 19.10 ? 746 HOH E O 1 HETATM 2658 O O . HOH D 4 . ? 30.958 -4.678 15.049 0.37 19.37 ? 747 HOH E O 1 HETATM 2659 O O . HOH D 4 . ? 53.635 13.335 16.184 0.49 23.50 ? 748 HOH E O 1 HETATM 2660 O O . HOH D 4 . ? 22.389 -1.914 17.467 0.50 11.54 ? 749 HOH E O 1 HETATM 2661 O O . HOH D 4 . ? 9.994 -0.024 17.147 0.51 19.07 ? 750 HOH E O 1 HETATM 2662 O O . HOH D 4 . ? 31.163 28.421 18.078 0.80 42.03 ? 751 HOH E O 1 HETATM 2663 O O . HOH D 4 . ? 23.003 36.518 18.598 0.45 21.29 ? 752 HOH E O 1 HETATM 2664 O O . HOH D 4 . ? 32.182 32.457 18.228 0.72 34.91 ? 753 HOH E O 1 HETATM 2665 O O . HOH D 4 . ? 34.571 16.270 29.667 0.30 29.45 ? 754 HOH E O 1 HETATM 2666 O O . HOH D 4 . ? 21.329 -2.188 19.773 0.63 36.38 ? 755 HOH E O 1 HETATM 2667 O O . HOH D 4 . ? 42.558 22.484 20.462 0.44 23.72 ? 756 HOH E O 1 HETATM 2668 O O . HOH D 4 . ? 35.273 28.454 20.929 0.44 22.68 ? 757 HOH E O 1 HETATM 2669 O O . HOH D 4 . ? -8.967 9.925 20.539 0.39 17.07 ? 758 HOH E O 1 HETATM 2670 O O . HOH D 4 . ? 5.044 -6.308 21.463 0.35 12.09 ? 759 HOH E O 1 HETATM 2671 O O . HOH D 4 . ? 0.083 9.583 34.179 0.45 20.71 ? 760 HOH E O 1 HETATM 2672 O O . HOH D 4 . ? 8.716 29.320 29.762 0.55 25.15 ? 761 HOH E O 1 HETATM 2673 O O . HOH D 4 . ? -7.828 4.272 25.172 0.53 23.80 ? 762 HOH E O 1 HETATM 2674 O O . HOH D 4 . ? -6.917 14.463 26.145 0.44 18.62 ? 763 HOH E O 1 HETATM 2675 O O . HOH D 4 . ? 5.523 12.703 5.813 0.51 28.50 ? 764 HOH E O 1 HETATM 2676 O O . HOH D 4 . ? 14.566 16.303 -5.402 0.53 32.03 ? 765 HOH E O 1 HETATM 2677 O O . HOH D 4 . ? 2.250 24.086 -4.690 0.36 19.04 ? 766 HOH E O 1 HETATM 2678 O O . HOH D 4 . ? 38.993 22.920 2.608 0.45 16.38 ? 767 HOH E O 1 HETATM 2679 O O . HOH D 4 . ? 26.468 16.725 -2.859 0.65 31.25 ? 768 HOH E O 1 HETATM 2680 O O . HOH D 4 . ? 32.098 11.524 -0.234 0.40 23.09 ? 769 HOH E O 1 HETATM 2681 O O . HOH D 4 . ? 40.057 24.137 6.320 0.50 28.35 ? 770 HOH E O 1 HETATM 2682 O O . HOH D 4 . ? 12.401 2.396 6.055 0.44 26.62 ? 771 HOH E O 1 HETATM 2683 O O . HOH D 4 . ? 18.287 36.463 8.551 0.46 21.82 ? 772 HOH E O 1 HETATM 2684 O O . HOH D 4 . ? 43.852 23.225 10.709 0.42 18.16 ? 773 HOH E O 1 HETATM 2685 O O . HOH D 4 . ? 10.181 34.756 10.317 0.43 28.62 ? 774 HOH E O 1 HETATM 2686 O O . HOH D 4 . ? 38.345 14.800 31.944 0.41 32.03 ? 775 HOH E O 1 HETATM 2687 O O . HOH D 4 . ? 41.800 23.246 16.475 0.54 22.84 ? 776 HOH E O 1 HETATM 2688 O O . HOH D 4 . ? 11.568 36.714 16.533 0.34 21.28 ? 777 HOH E O 1 HETATM 2689 O O . HOH D 4 . ? 24.045 3.109 16.645 0.58 22.22 ? 778 HOH E O 1 HETATM 2690 O O . HOH D 4 . ? -3.286 -1.444 17.678 0.69 33.80 ? 779 HOH E O 1 HETATM 2691 O O . HOH D 4 . ? -7.310 13.305 19.022 0.46 19.93 ? 780 HOH E O 1 HETATM 2692 O O . HOH D 4 . ? 29.480 34.838 19.475 0.39 23.50 ? 781 HOH E O 1 HETATM 2693 O O . HOH D 4 . ? 23.235 3.406 20.203 0.52 21.97 ? 782 HOH E O 1 HETATM 2694 O O . HOH D 4 . ? 31.756 3.696 30.085 0.40 18.49 ? 783 HOH E O 1 HETATM 2695 O O . HOH D 4 . ? 1.142 3.449 29.989 0.57 22.53 ? 784 HOH E O 1 HETATM 2696 O O . HOH D 4 . ? 44.094 20.298 22.894 0.41 18.34 ? 785 HOH E O 1 HETATM 2697 O O . HOH D 4 . ? 40.573 21.866 22.634 0.37 17.35 ? 786 HOH E O 1 HETATM 2698 O O . HOH D 4 . ? -8.682 12.968 23.881 0.50 33.53 ? 787 HOH E O 1 HETATM 2699 O O . HOH D 4 . ? 13.238 33.160 24.192 0.48 23.15 ? 788 HOH E O 1 HETATM 2700 O O . HOH D 4 . ? 44.215 10.804 31.018 0.55 21.31 ? 789 HOH E O 1 HETATM 2701 O O . HOH D 4 . ? -2.313 13.547 30.563 0.60 30.13 ? 790 HOH E O 1 HETATM 2702 O O . HOH D 4 . ? 9.405 4.748 29.026 0.42 33.13 ? 791 HOH E O 1 HETATM 2703 O O . HOH D 4 . ? 7.894 20.302 30.120 0.47 20.06 ? 792 HOH E O 1 HETATM 2704 O O . HOH D 4 . ? 34.571 21.700 29.667 0.31 29.05 ? 793 HOH E O 1 HETATM 2705 O O . HOH D 4 . ? 20.074 20.414 -2.649 0.39 23.10 ? 794 HOH E O 1 HETATM 2706 O O . HOH D 4 . ? 33.943 -2.320 0.594 0.44 25.22 ? 795 HOH E O 1 HETATM 2707 O O . HOH D 4 . ? 44.364 5.424 3.179 0.39 21.71 ? 796 HOH E O 1 HETATM 2708 O O . HOH D 4 . ? 8.292 31.886 9.199 0.41 20.27 ? 797 HOH E O 1 HETATM 2709 O O . HOH D 4 . ? 8.159 -4.743 10.796 0.41 28.33 ? 798 HOH E O 1 HETATM 2710 O O . HOH D 4 . ? 13.918 -2.767 10.628 0.40 20.70 ? 799 HOH E O 1 HETATM 2711 O O . HOH D 4 . ? 3.459 -2.124 11.455 0.43 25.74 ? 800 HOH E O 1 HETATM 2712 O O . HOH D 4 . ? 54.143 9.077 11.026 0.37 24.61 ? 801 HOH E O 1 HETATM 2713 O O . HOH D 4 . ? 56.011 12.319 11.993 0.37 27.53 ? 802 HOH E O 1 HETATM 2714 O O . HOH D 4 . ? 7.495 32.786 21.428 0.53 18.69 ? 803 HOH E O 1 HETATM 2715 O O . HOH D 4 . ? 26.514 36.923 21.747 0.42 20.79 ? 804 HOH E O 1 HETATM 2716 O O . HOH D 4 . ? 10.591 31.139 27.215 0.43 22.43 ? 805 HOH E O 1 HETATM 2717 O O . HOH D 4 . ? 22.877 28.399 32.165 0.43 24.12 ? 806 HOH E O 1 HETATM 2718 O O . HOH D 4 . ? 27.884 29.963 28.508 0.42 27.05 ? 807 HOH E O 1 HETATM 2719 O O . HOH D 4 . ? 26.489 3.349 29.785 0.42 29.00 ? 808 HOH E O 1 HETATM 2720 O O . HOH D 4 . ? -4.559 26.240 27.757 0.40 27.11 ? 809 HOH E O 1 HETATM 2721 O O . HOH D 4 . ? 46.247 4.557 27.199 0.44 29.94 ? 810 HOH E O 1 HETATM 2722 O O . HOH D 4 . ? -11.920 9.843 27.136 0.41 26.46 ? 811 HOH E O 1 HETATM 2723 O O . HOH E 4 . ? 15.429 8.356 20.088 0.87 8.23 ? 101 HOH I O 1 HETATM 2724 O O . HOH E 4 . ? 19.355 2.513 21.446 0.41 14.64 ? 102 HOH I O 1 HETATM 2725 O O . HOH E 4 . ? 14.417 6.915 22.188 0.73 16.65 ? 103 HOH I O 1 HETATM 2726 O O . HOH E 4 . ? 26.299 12.089 25.827 0.46 26.02 ? 104 HOH I 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 ALA 1 1 1 ALA ALA E . n A 1 2 ALA 2 2 2 ALA ALA E . n A 1 3 SER 3 3 3 SER SER E . n A 1 4 GLY 4 4 4 GLY GLY E . n A 1 5 VAL 5 5 5 VAL VAL E . n A 1 6 ALA 6 6 6 ALA ALA E . n A 1 7 THR 7 7 7 THR THR E . n A 1 8 ASN 8 8 8 ASN ASN E . n A 1 9 THR 9 9 9 THR THR E . n A 1 10 PRO 10 10 10 PRO PRO E . n A 1 11 THR 11 11 11 THR THR E . n A 1 12 ALA 12 12 12 ALA ALA E . n A 1 13 ASN 13 13 13 ASN ASN E . n A 1 14 ASP 14 14 14 ASP ASP E . n A 1 15 GLU 15 15 15 GLU GLU E . n A 1 16 GLU 16 16 16 GLU GLU E . n A 1 17 TYR 17 17 17 TYR TYR E . n A 1 18 ILE 18 18 18 ILE ILE E . n A 1 19 THR 19 19 19 THR THR E . n A 1 20 PRO 20 20 20 PRO PRO E . n A 1 21 VAL 21 21 21 VAL VAL E . n A 1 22 THR 22 22 22 THR THR E . n A 1 23 ILE 23 23 23 ILE ILE E . n A 1 24 GLY 24 24 24 GLY GLY E . n A 1 25 GLY 25 25 25 GLY GLY E . n A 1 26 THR 26 26 26 THR THR E . n A 1 27 THR 27 27 27 THR THR E . n A 1 28 LEU 28 28 28 LEU LEU E . n A 1 29 ASN 29 29 29 ASN ASN E . n A 1 30 LEU 30 30 30 LEU LEU E . n A 1 31 ASN 31 31 31 ASN ASN E . n A 1 32 PHE 32 32 32 PHE PHE E . n A 1 33 ASP 33 33 33 ASP ASP E . n A 1 34 THR 34 34 34 THR THR E . n A 1 35 GLY 35 35 35 GLY GLY E . n A 1 36 SER 36 36 36 SER SER E . n A 1 37 ALA 37 37 37 ALA ALA E . n A 1 38 ASP 38 38 38 ASP ASP E . n A 1 39 LEU 39 39 39 LEU LEU E . n A 1 40 TRP 40 40 40 TRP TRP E . n A 1 41 VAL 41 41 41 VAL VAL E . n A 1 42 PHE 42 42 42 PHE PHE E . n A 1 43 SER 43 43 43 SER SER E . n A 1 44 THR 44 44 44 THR THR E . n A 1 45 GLU 45 45 45 GLU GLU E . n A 1 46 LEU 46 46 46 LEU LEU E . n A 1 47 PRO 47 47 47 PRO PRO E . n A 1 48 ALA 48 48 48 ALA ALA E . n A 1 49 SER 49 49 49 SER SER E . n A 1 50 GLN 50 50 50 GLN GLN E . n A 1 51 GLN 51 51 51 GLN GLN E . n A 1 52 SER 52 52 52 SER SER E . n A 1 53 GLY 53 53 53 GLY GLY E . n A 1 54 HIS 54 54 54 HIS HIS E . n A 1 55 SER 55 55 55 SER SER E . n A 1 56 VAL 56 56 56 VAL VAL E . n A 1 57 TYR 57 57 57 TYR TYR E . n A 1 58 ASN 58 58 58 ASN ASN E . n A 1 59 PRO 59 59 59 PRO PRO E . n A 1 60 SER 60 60 60 SER SER E . n A 1 61 ALA 61 61 61 ALA ALA E . n A 1 62 THR 62 62 62 THR THR E . n A 1 63 GLY 63 63 63 GLY GLY E . n A 1 64 LYS 64 64 64 LYS LYS E . n A 1 65 GLU 65 65 65 GLU GLU E . n A 1 66 LEU 66 66 66 LEU LEU E . n A 1 67 SER 67 67 67 SER SER E . n A 1 68 GLY 68 68 68 GLY GLY E . n A 1 69 TYR 69 69 69 TYR TYR E . n A 1 70 THR 70 70 70 THR THR E . n A 1 71 TRP 71 71 71 TRP TRP E . n A 1 72 SER 72 72 72 SER SER E . n A 1 73 ILE 73 73 73 ILE ILE E . n A 1 74 SER 74 74 74 SER SER E . n A 1 75 TYR 75 75 75 TYR TYR E . n A 1 76 GLY 76 76 76 GLY GLY E . n A 1 77 ASP 77 77 77 ASP ASP E . n A 1 78 GLY 78 78 78 GLY GLY E . n A 1 79 SER 79 79 79 SER SER E . n A 1 80 SER 80 80 80 SER SER E . n A 1 81 ALA 81 81 81 ALA ALA E . n A 1 82 SER 82 82 82 SER SER E . n A 1 83 GLY 83 83 83 GLY GLY E . n A 1 84 ASN 84 84 84 ASN ASN E . n A 1 85 VAL 85 85 85 VAL VAL E . n A 1 86 PHE 86 86 86 PHE PHE E . n A 1 87 THR 87 87 87 THR THR E . n A 1 88 ASP 88 88 88 ASP ASP E . n A 1 89 SER 89 89 89 SER SER E . n A 1 90 VAL 90 90 90 VAL VAL E . n A 1 91 THR 91 91 91 THR THR E . n A 1 92 VAL 92 92 92 VAL VAL E . n A 1 93 GLY 93 93 93 GLY GLY E . n A 1 94 GLY 94 94 94 GLY GLY E . n A 1 95 VAL 95 95 95 VAL VAL E . n A 1 96 THR 96 96 96 THR THR E . n A 1 97 ALA 97 97 97 ALA ALA E . n A 1 98 HIS 98 98 98 HIS HIS E . n A 1 99 GLY 99 99 99 GLY GLY E . n A 1 100 GLN 100 100 100 GLN GLN E . n A 1 101 ALA 101 101 101 ALA ALA E . n A 1 102 VAL 102 102 102 VAL VAL E . n A 1 103 GLN 103 103 103 GLN GLN E . n A 1 104 ALA 104 104 104 ALA ALA E . n A 1 105 ALA 105 105 105 ALA ALA E . n A 1 106 GLN 106 106 106 GLN GLN E . n A 1 107 GLN 107 107 107 GLN GLN E . n A 1 108 ILE 108 108 108 ILE ILE E . n A 1 109 SER 109 109 109 SER SER E . n A 1 110 ALA 110 110 110 ALA ALA E . n A 1 111 GLN 111 111 111 GLN GLN E . n A 1 112 PHE 112 112 112 PHE PHE E . n A 1 113 GLN 113 113 113 GLN GLN E . n A 1 114 GLN 114 114 114 GLN GLN E . n A 1 115 ASP 115 115 115 ASP ASP E . n A 1 116 THR 116 116 116 THR THR E . n A 1 117 ASN 117 117 117 ASN ASN E . n A 1 118 ASN 118 118 118 ASN ASN E . n A 1 119 ASP 119 119 119 ASP ASP E . n A 1 120 GLY 120 120 120 GLY GLY E . n A 1 121 LEU 121 121 121 LEU LEU E . n A 1 122 LEU 122 122 122 LEU LEU E . n A 1 123 GLY 123 123 123 GLY GLY E . n A 1 124 LEU 124 124 124 LEU LEU E . n A 1 125 ALA 125 125 125 ALA ALA E . n A 1 126 PHE 126 126 126 PHE PHE E . n A 1 127 SER 127 127 127 SER SER E . n A 1 128 SER 128 128 128 SER SER E . n A 1 129 ILE 129 129 129 ILE ILE E . n A 1 130 ASN 130 130 130 ASN ASN E . n A 1 131 THR 131 131 131 THR THR E . n A 1 132 VAL 132 132 132 VAL VAL E . n A 1 133 GLN 133 133 133 GLN GLN E . n A 1 134 PRO 134 134 134 PRO PRO E . n A 1 135 GLN 135 135 135 GLN GLN E . n A 1 136 SER 136 136 136 SER SER E . n A 1 137 GLN 137 137 137 GLN GLN E . n A 1 138 THR 138 138 138 THR THR E . n A 1 139 THR 139 139 139 THR THR E . n A 1 140 PHE 140 140 140 PHE PHE E . n A 1 141 PHE 141 141 141 PHE PHE E . n A 1 142 ASP 142 142 142 ASP ASP E . n A 1 143 THR 143 143 143 THR THR E . n A 1 144 VAL 144 144 144 VAL VAL E . n A 1 145 LYS 145 145 145 LYS LYS E . n A 1 146 SER 146 146 146 SER SER E . n A 1 147 SER 147 147 147 SER SER E . n A 1 148 LEU 148 148 148 LEU LEU E . n A 1 149 ALA 149 149 149 ALA ALA E . n A 1 150 GLN 150 150 150 GLN GLN E . n A 1 151 PRO 151 151 151 PRO PRO E . n A 1 152 LEU 152 152 152 LEU LEU E . n A 1 153 PHE 153 153 153 PHE PHE E . n A 1 154 ALA 154 154 154 ALA ALA E . n A 1 155 VAL 155 155 155 VAL VAL E . n A 1 156 ALA 156 156 156 ALA ALA E . n A 1 157 LEU 157 157 157 LEU LEU E . n A 1 158 LYS 158 158 158 LYS LYS E . n A 1 159 HIS 159 159 159 HIS HIS E . n A 1 160 GLN 160 160 160 GLN GLN E . n A 1 161 GLN 161 161 161 GLN GLN E . n A 1 162 PRO 162 162 162 PRO PRO E . n A 1 163 GLY 163 163 163 GLY GLY E . n A 1 164 VAL 164 164 164 VAL VAL E . n A 1 165 TYR 165 165 165 TYR TYR E . n A 1 166 ASP 166 166 166 ASP ASP E . n A 1 167 PHE 167 167 167 PHE PHE E . n A 1 168 GLY 168 168 168 GLY GLY E . n A 1 169 PHE 169 169 169 PHE PHE E . n A 1 170 ILE 170 170 170 ILE ILE E . n A 1 171 ASP 171 171 171 ASP ASP E . n A 1 172 SER 172 172 172 SER SER E . n A 1 173 SER 173 173 173 SER SER E . n A 1 174 LYS 174 174 174 LYS LYS E . n A 1 175 TYR 175 175 175 TYR TYR E . n A 1 176 THR 176 176 176 THR THR E . n A 1 177 GLY 177 177 177 GLY GLY E . n A 1 178 SER 178 178 178 SER SER E . n A 1 179 LEU 179 179 179 LEU LEU E . n A 1 180 THR 180 180 180 THR THR E . n A 1 181 TYR 181 181 181 TYR TYR E . n A 1 182 THR 182 182 182 THR THR E . n A 1 183 GLY 183 183 183 GLY GLY E . n A 1 184 VAL 184 184 184 VAL VAL E . n A 1 185 ASP 185 185 185 ASP ASP E . n A 1 186 ASN 186 186 186 ASN ASN E . n A 1 187 SER 187 187 187 SER SER E . n A 1 188 GLN 188 188 188 GLN GLN E . n A 1 189 GLY 189 189 189 GLY GLY E . n A 1 190 PHE 190 190 190 PHE PHE E . n A 1 191 TRP 191 191 191 TRP TRP E . n A 1 192 SER 192 192 192 SER SER E . n A 1 193 PHE 193 193 193 PHE PHE E . n A 1 194 ASN 194 194 194 ASN ASN E . n A 1 195 VAL 195 195 195 VAL VAL E . n A 1 196 ASP 196 196 196 ASP ASP E . n A 1 197 SER 197 197 197 SER SER E . n A 1 198 TYR 198 198 198 TYR TYR E . n A 1 199 THR 199 199 199 THR THR E . n A 1 200 ALA 200 200 200 ALA ALA E . n A 1 201 GLY 201 201 201 GLY GLY E . n A 1 202 SER 202 202 202 SER SER E . n A 1 203 GLN 203 203 203 GLN GLN E . n A 1 204 SER 204 204 204 SER SER E . n A 1 205 GLY 205 205 205 GLY GLY E . n A 1 206 ASP 206 206 206 ASP ASP E . n A 1 207 GLY 207 207 207 GLY GLY E . n A 1 208 PHE 208 208 208 PHE PHE E . n A 1 209 SER 209 209 209 SER SER E . n A 1 210 GLY 210 210 210 GLY GLY E . n A 1 211 ILE 211 211 211 ILE ILE E . n A 1 212 ALA 212 212 212 ALA ALA E . n A 1 213 ASP 213 213 213 ASP ASP E . n A 1 214 THR 214 214 214 THR THR E . n A 1 215 GLY 215 215 215 GLY GLY E . n A 1 216 THR 216 216 216 THR THR E . n A 1 217 THR 217 217 217 THR THR E . n A 1 218 LEU 218 218 218 LEU LEU E . n A 1 219 LEU 219 219 219 LEU LEU E . n A 1 220 LEU 220 220 220 LEU LEU E . n A 1 221 LEU 221 221 221 LEU LEU E . n A 1 222 ASP 222 222 222 ASP ASP E . n A 1 223 ASP 223 223 223 ASP ASP E . n A 1 224 SER 224 224 224 SER SER E . n A 1 225 VAL 225 225 225 VAL VAL E . n A 1 226 VAL 226 226 226 VAL VAL E . n A 1 227 SER 227 227 227 SER SER E . n A 1 228 GLN 228 228 228 GLN GLN E . n A 1 229 TYR 229 229 229 TYR TYR E . n A 1 230 TYR 230 230 230 TYR TYR E . n A 1 231 SER 231 231 231 SER SER E . n A 1 232 GLN 232 232 232 GLN GLN E . n A 1 233 VAL 233 233 233 VAL VAL E . n A 1 234 SER 234 234 234 SER SER E . n A 1 235 GLY 235 235 235 GLY GLY E . n A 1 236 ALA 236 236 236 ALA ALA E . n A 1 237 GLN 237 237 237 GLN GLN E . n A 1 238 GLN 238 238 238 GLN GLN E . n A 1 239 ASP 239 239 239 ASP ASP E . n A 1 240 SER 240 240 240 SER SER E . n A 1 241 ASN 241 241 241 ASN ASN E . n A 1 242 ALA 242 242 242 ALA ALA E . n A 1 243 GLY 243 243 243 GLY GLY E . n A 1 244 GLY 244 244 244 GLY GLY E . n A 1 245 TYR 245 245 245 TYR TYR E . n A 1 246 VAL 246 246 246 VAL VAL E . n A 1 247 PHE 247 247 247 PHE PHE E . n A 1 248 ASP 248 248 248 ASP ASP E . n A 1 249 CYS 249 249 249 CYS CYS E . n A 1 250 SER 250 250 250 SER SER E . n A 1 251 THR 251 251 251 THR THR E . n A 1 252 ASN 252 252 252 ASN ASN E . n A 1 253 LEU 253 253 253 LEU LEU E . n A 1 254 PRO 254 254 254 PRO PRO E . n A 1 255 ASP 255 255 255 ASP ASP E . n A 1 256 PHE 256 256 256 PHE PHE E . n A 1 257 SER 257 257 257 SER SER E . n A 1 258 VAL 258 258 258 VAL VAL E . n A 1 259 SER 259 259 259 SER SER E . n A 1 260 ILE 260 260 260 ILE ILE E . n A 1 261 SER 261 261 261 SER SER E . n A 1 262 GLY 262 262 262 GLY GLY E . n A 1 263 TYR 263 263 263 TYR TYR E . n A 1 264 THR 264 264 264 THR THR E . n A 1 265 ALA 265 265 265 ALA ALA E . n A 1 266 THR 266 266 266 THR THR E . n A 1 267 VAL 267 267 267 VAL VAL E . n A 1 268 PRO 268 268 268 PRO PRO E . n A 1 269 GLY 269 269 269 GLY GLY E . n A 1 270 SER 270 270 270 SER SER E . n A 1 271 LEU 271 271 271 LEU LEU E . n A 1 272 ILE 272 272 272 ILE ILE E . n A 1 273 ASN 273 273 273 ASN ASN E . n A 1 274 TYR 274 274 274 TYR TYR E . n A 1 275 GLY 275 275 275 GLY GLY E . n A 1 276 PRO 276 276 276 PRO PRO E . n A 1 277 SER 277 277 277 SER SER E . n A 1 278 GLY 278 278 278 GLY GLY E . n A 1 279 ASP 279 279 279 ASP ASP E . n A 1 280 GLY 280 280 280 GLY GLY E . n A 1 281 SER 281 281 281 SER SER E . n A 1 282 THR 282 282 282 THR THR E . n A 1 283 CYS 283 283 283 CYS CYS E . n A 1 284 LEU 284 284 284 LEU LEU E . n A 1 285 GLY 285 285 285 GLY GLY E . n A 1 286 GLY 286 286 286 GLY GLY E . n A 1 287 ILE 287 287 287 ILE ILE E . n A 1 288 GLN 288 288 288 GLN GLN E . n A 1 289 SER 289 289 289 SER SER E . n A 1 290 ASN 290 290 290 ASN ASN E . n A 1 291 SER 291 291 291 SER SER E . n A 1 292 GLY 292 292 292 GLY GLY E . n A 1 293 ILE 293 293 293 ILE ILE E . n A 1 294 GLY 294 294 294 GLY GLY E . n A 1 295 PHE 295 295 295 PHE PHE E . n A 1 296 SER 296 296 296 SER SER E . n A 1 297 ILE 297 297 297 ILE ILE E . n A 1 298 PHE 298 298 298 PHE PHE E . n A 1 299 GLY 299 299 299 GLY GLY E . n A 1 300 ASP 300 300 300 ASP ASP E . n A 1 301 ILE 301 301 301 ILE ILE E . n A 1 302 PHE 302 302 302 PHE PHE E . n A 1 303 LEU 303 303 303 LEU LEU E . n A 1 304 LYS 304 304 304 LYS LYS E . n A 1 305 SER 305 305 305 SER SER E . n A 1 306 GLN 306 306 306 GLN GLN E . n A 1 307 TYR 307 307 307 TYR TYR E . n A 1 308 VAL 308 308 308 VAL VAL E . n A 1 309 VAL 309 309 309 VAL VAL E . n A 1 310 PHE 310 310 310 PHE PHE E . n A 1 311 ASP 311 311 311 ASP ASP E . n A 1 312 SER 312 312 312 SER SER E . n A 1 313 ASP 313 313 313 ASP ASP E . n A 1 314 GLY 314 314 314 GLY GLY E . n A 1 315 PRO 315 315 315 PRO PRO E . n A 1 316 GLN 316 316 316 GLN GLN E . n A 1 317 LEU 317 317 317 LEU LEU E . n A 1 318 GLY 318 318 318 GLY GLY E . n A 1 319 PHE 319 319 319 PHE PHE E . n A 1 320 ALA 320 320 320 ALA ALA E . n A 1 321 PRO 321 321 321 PRO PRO E . n A 1 322 GLN 322 322 322 GLN GLN E . n A 1 323 ALA 323 323 323 ALA ALA E . n B 2 1 IVA 1 4 4 IVA IVA I . n B 2 2 VAL 2 3 3 VAL VAL I . n B 2 3 VAL 3 2 2 VAL VAL I . n B 2 4 32L 4 1 1 32L 32L I . 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 C 3 MAN 1 401 375 MAN MAN I . D 4 HOH 1 501 334 HOH HOH E . D 4 HOH 2 502 335 HOH HOH E . D 4 HOH 3 503 336 HOH HOH E . D 4 HOH 4 504 337 HOH HOH E . D 4 HOH 5 505 338 HOH HOH E . D 4 HOH 6 506 339 HOH HOH E . D 4 HOH 7 507 340 HOH HOH E . D 4 HOH 8 508 341 HOH HOH E . D 4 HOH 9 509 342 HOH HOH E . D 4 HOH 10 510 343 HOH HOH E . D 4 HOH 11 511 344 HOH HOH E . D 4 HOH 12 512 345 HOH HOH E . D 4 HOH 13 513 346 HOH HOH E . D 4 HOH 14 514 347 HOH HOH E . D 4 HOH 15 515 348 HOH HOH E . D 4 HOH 16 516 349 HOH HOH E . D 4 HOH 17 517 350 HOH HOH E . D 4 HOH 18 518 351 HOH HOH E . D 4 HOH 19 519 352 HOH HOH E . D 4 HOH 20 520 353 HOH HOH E . D 4 HOH 21 521 354 HOH HOH E . D 4 HOH 22 522 355 HOH HOH E . D 4 HOH 23 523 356 HOH HOH E . D 4 HOH 24 524 357 HOH HOH E . D 4 HOH 25 525 358 HOH HOH E . D 4 HOH 26 526 359 HOH HOH E . D 4 HOH 27 527 360 HOH HOH E . D 4 HOH 28 528 361 HOH HOH E . D 4 HOH 29 529 362 HOH HOH E . D 4 HOH 30 530 363 HOH HOH E . D 4 HOH 31 531 364 HOH HOH E . D 4 HOH 32 532 365 HOH HOH E . D 4 HOH 33 533 366 HOH HOH E . D 4 HOH 34 534 367 HOH HOH E . D 4 HOH 35 535 368 HOH HOH E . D 4 HOH 36 536 369 HOH HOH E . D 4 HOH 37 537 370 HOH HOH E . D 4 HOH 38 538 371 HOH HOH E . D 4 HOH 39 539 372 HOH HOH E . D 4 HOH 40 540 373 HOH HOH E . D 4 HOH 41 541 374 HOH HOH E . D 4 HOH 42 542 376 HOH HOH E . D 4 HOH 43 543 377 HOH HOH E . D 4 HOH 44 544 378 HOH HOH E . D 4 HOH 45 545 379 HOH HOH E . D 4 HOH 46 546 380 HOH HOH E . D 4 HOH 47 547 381 HOH HOH E . D 4 HOH 48 548 382 HOH HOH E . D 4 HOH 49 549 383 HOH HOH E . D 4 HOH 50 550 384 HOH HOH E . D 4 HOH 51 551 385 HOH HOH E . D 4 HOH 52 552 386 HOH HOH E . D 4 HOH 53 553 387 HOH HOH E . D 4 HOH 54 554 388 HOH HOH E . D 4 HOH 55 555 389 HOH HOH E . D 4 HOH 56 556 390 HOH HOH E . D 4 HOH 57 557 391 HOH HOH E . D 4 HOH 58 558 393 HOH HOH E . D 4 HOH 59 559 394 HOH HOH E . D 4 HOH 60 560 395 HOH HOH E . D 4 HOH 61 561 396 HOH HOH E . D 4 HOH 62 562 397 HOH HOH E . D 4 HOH 63 563 398 HOH HOH E . D 4 HOH 64 564 399 HOH HOH E . D 4 HOH 65 565 400 HOH HOH E . D 4 HOH 66 566 401 HOH HOH E . D 4 HOH 67 567 402 HOH HOH E . D 4 HOH 68 568 403 HOH HOH E . D 4 HOH 69 569 404 HOH HOH E . D 4 HOH 70 570 405 HOH HOH E . D 4 HOH 71 571 406 HOH HOH E . D 4 HOH 72 572 407 HOH HOH E . D 4 HOH 73 573 408 HOH HOH E . D 4 HOH 74 574 409 HOH HOH E . D 4 HOH 75 575 410 HOH HOH E . D 4 HOH 76 576 411 HOH HOH E . D 4 HOH 77 577 412 HOH HOH E . D 4 HOH 78 578 413 HOH HOH E . D 4 HOH 79 579 414 HOH HOH E . D 4 HOH 80 580 416 HOH HOH E . D 4 HOH 81 581 417 HOH HOH E . D 4 HOH 82 582 418 HOH HOH E . D 4 HOH 83 583 419 HOH HOH E . D 4 HOH 84 584 420 HOH HOH E . D 4 HOH 85 585 421 HOH HOH E . D 4 HOH 86 586 422 HOH HOH E . D 4 HOH 87 587 423 HOH HOH E . D 4 HOH 88 588 424 HOH HOH E . D 4 HOH 89 589 425 HOH HOH E . D 4 HOH 90 590 426 HOH HOH E . D 4 HOH 91 591 427 HOH HOH E . D 4 HOH 92 592 428 HOH HOH E . D 4 HOH 93 593 429 HOH HOH E . D 4 HOH 94 594 430 HOH HOH E . D 4 HOH 95 595 431 HOH HOH E . D 4 HOH 96 596 432 HOH HOH E . D 4 HOH 97 597 433 HOH HOH E . D 4 HOH 98 598 434 HOH HOH E . D 4 HOH 99 599 435 HOH HOH E . D 4 HOH 100 600 436 HOH HOH E . D 4 HOH 101 601 437 HOH HOH E . D 4 HOH 102 602 438 HOH HOH E . D 4 HOH 103 603 440 HOH HOH E . D 4 HOH 104 604 441 HOH HOH E . D 4 HOH 105 605 442 HOH HOH E . D 4 HOH 106 606 443 HOH HOH E . D 4 HOH 107 607 444 HOH HOH E . D 4 HOH 108 608 445 HOH HOH E . D 4 HOH 109 609 446 HOH HOH E . D 4 HOH 110 610 447 HOH HOH E . D 4 HOH 111 611 448 HOH HOH E . D 4 HOH 112 612 449 HOH HOH E . D 4 HOH 113 613 450 HOH HOH E . D 4 HOH 114 614 452 HOH HOH E . D 4 HOH 115 615 453 HOH HOH E . D 4 HOH 116 616 454 HOH HOH E . D 4 HOH 117 617 455 HOH HOH E . D 4 HOH 118 618 456 HOH HOH E . D 4 HOH 119 619 457 HOH HOH E . D 4 HOH 120 620 458 HOH HOH E . D 4 HOH 121 621 459 HOH HOH E . D 4 HOH 122 622 460 HOH HOH E . D 4 HOH 123 623 461 HOH HOH E . D 4 HOH 124 624 462 HOH HOH E . D 4 HOH 125 625 463 HOH HOH E . D 4 HOH 126 626 464 HOH HOH E . D 4 HOH 127 627 465 HOH HOH E . D 4 HOH 128 628 466 HOH HOH E . D 4 HOH 129 629 467 HOH HOH E . D 4 HOH 130 630 468 HOH HOH E . D 4 HOH 131 631 469 HOH HOH E . D 4 HOH 132 632 470 HOH HOH E . D 4 HOH 133 633 471 HOH HOH E . D 4 HOH 134 634 472 HOH HOH E . D 4 HOH 135 635 473 HOH HOH E . D 4 HOH 136 636 474 HOH HOH E . D 4 HOH 137 637 475 HOH HOH E . D 4 HOH 138 638 476 HOH HOH E . D 4 HOH 139 639 477 HOH HOH E . D 4 HOH 140 640 478 HOH HOH E . D 4 HOH 141 641 479 HOH HOH E . D 4 HOH 142 642 480 HOH HOH E . D 4 HOH 143 643 481 HOH HOH E . D 4 HOH 144 644 482 HOH HOH E . D 4 HOH 145 645 483 HOH HOH E . D 4 HOH 146 646 484 HOH HOH E . D 4 HOH 147 647 485 HOH HOH E . D 4 HOH 148 648 486 HOH HOH E . D 4 HOH 149 649 487 HOH HOH E . D 4 HOH 150 650 488 HOH HOH E . D 4 HOH 151 651 489 HOH HOH E . D 4 HOH 152 652 490 HOH HOH E . D 4 HOH 153 653 491 HOH HOH E . D 4 HOH 154 654 492 HOH HOH E . D 4 HOH 155 655 493 HOH HOH E . D 4 HOH 156 656 494 HOH HOH E . D 4 HOH 157 657 495 HOH HOH E . D 4 HOH 158 658 496 HOH HOH E . D 4 HOH 159 659 497 HOH HOH E . D 4 HOH 160 660 498 HOH HOH E . D 4 HOH 161 661 499 HOH HOH E . D 4 HOH 162 662 500 HOH HOH E . D 4 HOH 163 663 501 HOH HOH E . D 4 HOH 164 664 502 HOH HOH E . D 4 HOH 165 665 503 HOH HOH E . D 4 HOH 166 666 504 HOH HOH E . D 4 HOH 167 667 506 HOH HOH E . D 4 HOH 168 668 507 HOH HOH E . D 4 HOH 169 669 508 HOH HOH E . D 4 HOH 170 670 509 HOH HOH E . D 4 HOH 171 671 510 HOH HOH E . D 4 HOH 172 672 511 HOH HOH E . D 4 HOH 173 673 512 HOH HOH E . D 4 HOH 174 674 513 HOH HOH E . D 4 HOH 175 675 514 HOH HOH E . D 4 HOH 176 676 515 HOH HOH E . D 4 HOH 177 677 516 HOH HOH E . D 4 HOH 178 678 517 HOH HOH E . D 4 HOH 179 679 518 HOH HOH E . D 4 HOH 180 680 519 HOH HOH E . D 4 HOH 181 681 520 HOH HOH E . D 4 HOH 182 682 521 HOH HOH E . D 4 HOH 183 683 522 HOH HOH E . D 4 HOH 184 684 523 HOH HOH E . D 4 HOH 185 685 524 HOH HOH E . D 4 HOH 186 686 525 HOH HOH E . D 4 HOH 187 687 526 HOH HOH E . D 4 HOH 188 688 527 HOH HOH E . D 4 HOH 189 689 528 HOH HOH E . D 4 HOH 190 690 529 HOH HOH E . D 4 HOH 191 691 530 HOH HOH E . D 4 HOH 192 692 531 HOH HOH E . D 4 HOH 193 693 532 HOH HOH E . D 4 HOH 194 694 533 HOH HOH E . D 4 HOH 195 695 534 HOH HOH E . D 4 HOH 196 696 535 HOH HOH E . D 4 HOH 197 697 536 HOH HOH E . D 4 HOH 198 698 537 HOH HOH E . D 4 HOH 199 699 538 HOH HOH E . D 4 HOH 200 700 539 HOH HOH E . D 4 HOH 201 701 541 HOH HOH E . D 4 HOH 202 702 542 HOH HOH E . D 4 HOH 203 703 545 HOH HOH E . D 4 HOH 204 704 546 HOH HOH E . D 4 HOH 205 705 547 HOH HOH E . D 4 HOH 206 706 548 HOH HOH E . D 4 HOH 207 707 549 HOH HOH E . D 4 HOH 208 708 550 HOH HOH E . D 4 HOH 209 709 551 HOH HOH E . D 4 HOH 210 710 552 HOH HOH E . D 4 HOH 211 711 553 HOH HOH E . D 4 HOH 212 712 554 HOH HOH E . D 4 HOH 213 713 555 HOH HOH E . D 4 HOH 214 714 556 HOH HOH E . D 4 HOH 215 715 557 HOH HOH E . D 4 HOH 216 716 558 HOH HOH E . D 4 HOH 217 717 559 HOH HOH E . D 4 HOH 218 718 560 HOH HOH E . D 4 HOH 219 719 561 HOH HOH E . D 4 HOH 220 720 562 HOH HOH E . D 4 HOH 221 721 563 HOH HOH E . D 4 HOH 222 722 564 HOH HOH E . D 4 HOH 223 723 565 HOH HOH E . D 4 HOH 224 724 566 HOH HOH E . D 4 HOH 225 725 567 HOH HOH E . D 4 HOH 226 726 568 HOH HOH E . D 4 HOH 227 727 569 HOH HOH E . D 4 HOH 228 728 570 HOH HOH E . D 4 HOH 229 729 571 HOH HOH E . D 4 HOH 230 730 572 HOH HOH E . D 4 HOH 231 731 573 HOH HOH E . D 4 HOH 232 732 574 HOH HOH E . D 4 HOH 233 733 575 HOH HOH E . D 4 HOH 234 734 576 HOH HOH E . D 4 HOH 235 735 577 HOH HOH E . D 4 HOH 236 736 578 HOH HOH E . D 4 HOH 237 737 579 HOH HOH E . D 4 HOH 238 738 580 HOH HOH E . D 4 HOH 239 739 581 HOH HOH E . D 4 HOH 240 740 582 HOH HOH E . D 4 HOH 241 741 583 HOH HOH E . D 4 HOH 242 742 584 HOH HOH E . D 4 HOH 243 743 585 HOH HOH E . D 4 HOH 244 744 586 HOH HOH E . D 4 HOH 245 745 587 HOH HOH E . D 4 HOH 246 746 588 HOH HOH E . D 4 HOH 247 747 589 HOH HOH E . D 4 HOH 248 748 590 HOH HOH E . D 4 HOH 249 749 591 HOH HOH E . D 4 HOH 250 750 592 HOH HOH E . D 4 HOH 251 751 593 HOH HOH E . D 4 HOH 252 752 594 HOH HOH E . D 4 HOH 253 753 595 HOH HOH E . D 4 HOH 254 754 596 HOH HOH E . D 4 HOH 255 755 597 HOH HOH E . D 4 HOH 256 756 598 HOH HOH E . D 4 HOH 257 757 599 HOH HOH E . D 4 HOH 258 758 600 HOH HOH E . D 4 HOH 259 759 601 HOH HOH E . D 4 HOH 260 760 602 HOH HOH E . D 4 HOH 261 761 603 HOH HOH E . D 4 HOH 262 762 604 HOH HOH E . D 4 HOH 263 763 605 HOH HOH E . D 4 HOH 264 764 607 HOH HOH E . D 4 HOH 265 765 608 HOH HOH E . D 4 HOH 266 766 609 HOH HOH E . D 4 HOH 267 767 610 HOH HOH E . D 4 HOH 268 768 611 HOH HOH E . D 4 HOH 269 769 612 HOH HOH E . D 4 HOH 270 770 613 HOH HOH E . D 4 HOH 271 771 614 HOH HOH E . D 4 HOH 272 772 615 HOH HOH E . D 4 HOH 273 773 616 HOH HOH E . D 4 HOH 274 774 617 HOH HOH E . D 4 HOH 275 775 618 HOH HOH E . D 4 HOH 276 776 619 HOH HOH E . D 4 HOH 277 777 620 HOH HOH E . D 4 HOH 278 778 621 HOH HOH E . D 4 HOH 279 779 622 HOH HOH E . D 4 HOH 280 780 623 HOH HOH E . D 4 HOH 281 781 624 HOH HOH E . D 4 HOH 282 782 625 HOH HOH E . D 4 HOH 283 783 626 HOH HOH E . D 4 HOH 284 784 627 HOH HOH E . D 4 HOH 285 785 628 HOH HOH E . D 4 HOH 286 786 629 HOH HOH E . D 4 HOH 287 787 630 HOH HOH E . D 4 HOH 288 788 631 HOH HOH E . D 4 HOH 289 789 633 HOH HOH E . D 4 HOH 290 790 634 HOH HOH E . D 4 HOH 291 791 635 HOH HOH E . D 4 HOH 292 792 636 HOH HOH E . D 4 HOH 293 793 637 HOH HOH E . D 4 HOH 294 794 638 HOH HOH E . D 4 HOH 295 795 639 HOH HOH E . D 4 HOH 296 796 640 HOH HOH E . D 4 HOH 297 797 641 HOH HOH E . D 4 HOH 298 798 642 HOH HOH E . D 4 HOH 299 799 643 HOH HOH E . D 4 HOH 300 800 644 HOH HOH E . D 4 HOH 301 801 645 HOH HOH E . D 4 HOH 302 802 646 HOH HOH E . D 4 HOH 303 803 647 HOH HOH E . D 4 HOH 304 804 648 HOH HOH E . D 4 HOH 305 805 649 HOH HOH E . D 4 HOH 306 806 650 HOH HOH E . D 4 HOH 307 807 651 HOH HOH E . D 4 HOH 308 808 652 HOH HOH E . D 4 HOH 309 809 653 HOH HOH E . D 4 HOH 310 810 654 HOH HOH E . D 4 HOH 311 811 655 HOH HOH E . E 4 HOH 1 101 540 HOH HOH I . E 4 HOH 2 102 543 HOH HOH I . E 4 HOH 3 103 544 HOH HOH I . E 4 HOH 4 104 606 HOH HOH I . # _pdbx_molecule_features.prd_id PRD_001238 _pdbx_molecule_features.name 'PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET' _pdbx_molecule_features.type Oligopeptide _pdbx_molecule_features.class 'Enzyme inhibitor' _pdbx_molecule_features.details ? # _pdbx_molecule.instance_id 1 _pdbx_molecule.prd_id PRD_001238 _pdbx_molecule.asym_id B # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id SER _pdbx_struct_mod_residue.label_seq_id 3 _pdbx_struct_mod_residue.auth_asym_id E _pdbx_struct_mod_residue.auth_comp_id SER _pdbx_struct_mod_residue.auth_seq_id 3 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id SER _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA dimeric 2 2 software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,E 2 1,2 A,B,C,D,E # 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)' 1230 ? 1 MORE -4 ? 1 'SSA (A^2)' 12480 ? 2 'ABSA (A^2)' 4350 ? 2 MORE -4 ? 2 'SSA (A^2)' 23070 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_656 -x+1,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 69.1425268847 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 59.3334181093 # 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 E HOH 577 ? D HOH . 2 1 E HOH 720 ? D HOH . 3 1 E HOH 754 ? D HOH . 4 1 E HOH 793 ? D HOH . # 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 1994-01-31 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2014-06-04 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Atomic model' 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Derived calculations' 5 3 'Structure model' 'Non-polymer description' 6 3 'Structure model' 'Structure summary' 7 3 'Structure model' 'Version format compliance' 8 4 'Structure model' 'Structure summary' # _software.name PROLSQ _software.classification refinement _software.version . _software.citation_id ? _software.pdbx_ordinal 1 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OG1 _pdbx_validate_close_contact.auth_asym_id_1 E _pdbx_validate_close_contact.auth_comp_id_1 THR _pdbx_validate_close_contact.auth_seq_id_1 7 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 E _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 625 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.10 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB E TYR 69 ? ? CG E TYR 69 ? ? CD2 E TYR 69 ? ? 115.85 121.00 -5.15 0.60 N 2 1 CB E TYR 69 ? ? CG E TYR 69 ? ? CD1 E TYR 69 ? ? 124.99 121.00 3.99 0.60 N 3 1 CB E ASP 142 ? ? CG E ASP 142 ? ? OD1 E ASP 142 ? ? 124.93 118.30 6.63 0.90 N 4 1 CB E ASP 222 ? ? CG E ASP 222 ? ? OD2 E ASP 222 ? ? 110.45 118.30 -7.85 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 SER E 72 ? ? -173.73 130.38 2 1 ASP E 279 ? ? 171.96 90.76 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 ALPHA-D-MANNOSE MAN 4 water HOH #