data_5G00 # _entry.id 5G00 # _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 5G00 PDBE EBI-66498 WWPDB D_1290066498 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 5FZU unspecified ;CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI- FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P4322 AND PH 7.2 ; PDB 5FZY unspecified ;CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI- FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP C2221 AND PH 3.5 ; PDB 5FZZ unspecified 'CRYSTAL STRUCTURE OF POTATO STI-KUNITZ BI-FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P22121 AND PH 7.0' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 5G00 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2016-03-16 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Guerra, Y.' 1 'Rudino-Pinera, E.' 2 # _citation.id primary _citation.title ;Structures of a bi-functional Kunitz-type STI family inhibitor of serine and aspartic proteases: Could the aspartic protease inhibition have evolved from a canonical serine protease-binding loop? ; _citation.journal_abbrev 'J. Struct. Biol.' _citation.journal_volume 195 _citation.page_first 259 _citation.page_last 271 _citation.year 2016 _citation.journal_id_ASTM JSBIEM _citation.country US _citation.journal_id_ISSN 1095-8657 _citation.journal_id_CSD 0803 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 27329566 _citation.pdbx_database_id_DOI 10.1016/j.jsb.2016.06.014 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Guerra, Y.' 1 primary 'Valiente, P.A.' 2 primary 'Pons, T.' 3 primary 'Berry, C.' 4 primary 'Rudino-Pinera, E.' 5 # _cell.entry_id 5G00 _cell.length_a 77.180 _cell.length_b 77.180 _cell.length_c 95.900 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5G00 _symmetry.space_group_name_H-M 'P 43 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 95 # 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 'KTI-A PROTEIN' 20526.504 1 ? ? 'HYDROLASE INHIBITOR' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 water nat water 18.015 19 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ESPLPKPVLDTNGKELNPNSSYRIISIGRGALGGDVYLGKSPNSDAPCPDGVFRYNSDVGPSGTPVRFIPLSTNIFEDQL LNIQFNIPTVKLCVSYTIWKVGNLNAYFRTMLLETGGTIGQADNSYFKIVKSSKIGYNLLSCPFTSIICLRCPEDQFCAK VGVVIQNGKRRLALVNENPLDVLFQEV ; _entity_poly.pdbx_seq_one_letter_code_can ;ESPLPKPVLDTNGKELNPNSSYRIISIGRGALGGDVYLGKSPNSDAPCPDGVFRYNSDVGPSGTPVRFIPLSTNIFEDQL LNIQFNIPTVKLCVSYTIWKVGNLNAYFRTMLLETGGTIGQADNSYFKIVKSSKIGYNLLSCPFTSIICLRCPEDQFCAK VGVVIQNGKRRLALVNENPLDVLFQEV ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 SER n 1 3 PRO n 1 4 LEU n 1 5 PRO n 1 6 LYS n 1 7 PRO n 1 8 VAL n 1 9 LEU n 1 10 ASP n 1 11 THR n 1 12 ASN n 1 13 GLY n 1 14 LYS n 1 15 GLU n 1 16 LEU n 1 17 ASN n 1 18 PRO n 1 19 ASN n 1 20 SER n 1 21 SER n 1 22 TYR n 1 23 ARG n 1 24 ILE n 1 25 ILE n 1 26 SER n 1 27 ILE n 1 28 GLY n 1 29 ARG n 1 30 GLY n 1 31 ALA n 1 32 LEU n 1 33 GLY n 1 34 GLY n 1 35 ASP n 1 36 VAL n 1 37 TYR n 1 38 LEU n 1 39 GLY n 1 40 LYS n 1 41 SER n 1 42 PRO n 1 43 ASN n 1 44 SER n 1 45 ASP n 1 46 ALA n 1 47 PRO n 1 48 CYS n 1 49 PRO n 1 50 ASP n 1 51 GLY n 1 52 VAL n 1 53 PHE n 1 54 ARG n 1 55 TYR n 1 56 ASN n 1 57 SER n 1 58 ASP n 1 59 VAL n 1 60 GLY n 1 61 PRO n 1 62 SER n 1 63 GLY n 1 64 THR n 1 65 PRO n 1 66 VAL n 1 67 ARG n 1 68 PHE n 1 69 ILE n 1 70 PRO n 1 71 LEU n 1 72 SER n 1 73 THR n 1 74 ASN n 1 75 ILE n 1 76 PHE n 1 77 GLU n 1 78 ASP n 1 79 GLN n 1 80 LEU n 1 81 LEU n 1 82 ASN n 1 83 ILE n 1 84 GLN n 1 85 PHE n 1 86 ASN n 1 87 ILE n 1 88 PRO n 1 89 THR n 1 90 VAL n 1 91 LYS n 1 92 LEU n 1 93 CYS n 1 94 VAL n 1 95 SER n 1 96 TYR n 1 97 THR n 1 98 ILE n 1 99 TRP n 1 100 LYS n 1 101 VAL n 1 102 GLY n 1 103 ASN n 1 104 LEU n 1 105 ASN n 1 106 ALA n 1 107 TYR n 1 108 PHE n 1 109 ARG n 1 110 THR n 1 111 MET n 1 112 LEU n 1 113 LEU n 1 114 GLU n 1 115 THR n 1 116 GLY n 1 117 GLY n 1 118 THR n 1 119 ILE n 1 120 GLY n 1 121 GLN n 1 122 ALA n 1 123 ASP n 1 124 ASN n 1 125 SER n 1 126 TYR n 1 127 PHE n 1 128 LYS n 1 129 ILE n 1 130 VAL n 1 131 LYS n 1 132 SER n 1 133 SER n 1 134 LYS n 1 135 ILE n 1 136 GLY n 1 137 TYR n 1 138 ASN n 1 139 LEU n 1 140 LEU n 1 141 SER n 1 142 CYS n 1 143 PRO n 1 144 PHE n 1 145 THR n 1 146 SER n 1 147 ILE n 1 148 ILE n 1 149 CYS n 1 150 LEU n 1 151 ARG n 1 152 CYS n 1 153 PRO n 1 154 GLU n 1 155 ASP n 1 156 GLN n 1 157 PHE n 1 158 CYS n 1 159 ALA n 1 160 LYS n 1 161 VAL n 1 162 GLY n 1 163 VAL n 1 164 VAL n 1 165 ILE n 1 166 GLN n 1 167 ASN n 1 168 GLY n 1 169 LYS n 1 170 ARG n 1 171 ARG n 1 172 LEU n 1 173 ALA n 1 174 LEU n 1 175 VAL n 1 176 ASN n 1 177 GLU n 1 178 ASN n 1 179 PRO n 1 180 LEU n 1 181 ASP n 1 182 VAL n 1 183 LEU n 1 184 PHE n 1 185 GLN n 1 186 GLU n 1 187 VAL 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 POTATO _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 'SOLANUM TUBEROSUM' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4113 _entity_src_gen.pdbx_gene_src_variant ESTIMA _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 'KOMAGATAELLA PASTORIS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 644223 _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 GS115 _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 PPICZALPHAC _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A0A097H118_SOLTU _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession A0A097H118 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5G00 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 187 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession A0A097H118 _struct_ref_seq.db_align_beg 32 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 218 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 187 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 5G00 _struct_ref_seq_dif.mon_id ASP _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 123 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code A0A097H11 _struct_ref_seq_dif.db_mon_id ASN _struct_ref_seq_dif.pdbx_seq_db_seq_num 154 _struct_ref_seq_dif.details conflict _struct_ref_seq_dif.pdbx_auth_seq_num 123 _struct_ref_seq_dif.pdbx_ordinal 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 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 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 5G00 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.04 _exptl_crystal.density_percent_sol 59.52 _exptl_crystal.description 'DATA WAS ANISOTROPICALLY CORRECTED WITH THE WEBSERVER DIFFRACTION ANISOTROPY SERVER UCLA' # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.4 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '10% (W/V) PEG 2000 MME, 0.1 M TRIS-HCL PH 8.5, 0.2 M TRIMETHYLAMINE N-OXIDE, 30 MM GLYCYL-GLYCL-GLYCINE' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2016-01-17 _diffrn_detector.details 'SI (111) DOUBLE CRYSTAL' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.1807 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL14-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL14-1 _diffrn_source.pdbx_wavelength 1.1807 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 5G00 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 29.50 _reflns.d_resolution_high 2.50 _reflns.number_obs 10356 _reflns.number_all ? _reflns.percent_possible_obs 98.0 _reflns.pdbx_Rmerge_I_obs 0.06 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 33.82 _reflns.B_iso_Wilson_estimate 60.16 _reflns.pdbx_redundancy 16.2 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.50 _reflns_shell.d_res_low 2.57 _reflns_shell.percent_possible_all 74.1 _reflns_shell.Rmerge_I_obs 0.73 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 4.89 _reflns_shell.pdbx_redundancy 16.63 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5G00 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 10329 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.37 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36.021 _refine.ls_d_res_high 2.500 _refine.ls_percent_reflns_obs 98.03 _refine.ls_R_factor_obs 0.2288 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2280 _refine.ls_R_factor_R_free 0.2437 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 499 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 67.40 _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 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 5FNW' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.27 _refine.pdbx_overall_phase_error 27.45 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _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 1427 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 19 _refine_hist.number_atoms_total 1460 _refine_hist.d_res_high 2.500 _refine_hist.d_res_low 36.021 # 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 f_bond_d 0.010 ? ? 1475 'X-RAY DIFFRACTION' ? f_angle_d 1.345 ? ? 2001 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 14.417 ? ? 545 'X-RAY DIFFRACTION' ? f_chiral_restr 0.050 ? ? 230 'X-RAY DIFFRACTION' ? f_plane_restr 0.007 ? ? 259 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 2.5001 2.7516 2262 0.3175 92.00 0.3282 . . 103 . . 'X-RAY DIFFRACTION' . 2.7516 3.1496 2429 0.3031 100.00 0.3311 . . 143 . . 'X-RAY DIFFRACTION' . 3.1496 3.9673 2499 0.2565 100.00 0.2990 . . 128 . . 'X-RAY DIFFRACTION' . 3.9673 36.0252 2640 0.1843 100.00 0.1842 . . 125 . . # _struct.entry_id 5G00 _struct.title 'CRYSTAL STRUCTURE OF A POTATO STI-KUNITZ BIFUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P4322 AND PH 7.4' _struct.pdbx_descriptor 'KTI-A PROTEIN' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 5G00 _struct_keywords.pdbx_keywords 'HYDROLASE INHIBITOR' _struct_keywords.text ;HYDROLASE, STI-KUNITZ INHIBITOR, ASPARTIC PROTEASES, SERINE PROTEASES, PROTEASE INHIBITOR, BI-FUNCTIONAL PROTEASE INHIBITOR, HYDROLASE INHIBITOR, KUNITZ-TYPE INHIBITOR ; # 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 ? # _struct_biol.id 1 # 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 ARG A 29 ? GLY A 33 ? ARG A 29 GLY A 33 5 ? 5 HELX_P HELX_P2 2 LEU A 92 ? TYR A 96 ? LEU A 92 TYR A 96 5 ? 5 HELX_P HELX_P3 3 CYS A 152 ? GLN A 156 ? CYS A 152 GLN A 156 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 48 SG ? ? ? 1_555 A CYS 93 SG ? ? A CYS 48 A CYS 93 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 142 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 142 A CYS 158 1_555 ? ? ? ? ? ? ? 2.068 ? disulf3 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 152 SG ? ? A CYS 149 A CYS 152 1_555 ? ? ? ? ? ? ? 2.047 ? covale1 covale ? ? A ASN 19 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 19 A NAG 1188 1_555 ? ? ? ? ? ? ? 1.774 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 2 ? AB ? 6 ? AC ? 2 ? AD ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel AB 5 6 ? anti-parallel AC 1 2 ? anti-parallel AD 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 TYR A 22 ? SER A 26 ? TYR A 22 SER A 26 AA 2 VAL A 182 ? GLU A 186 ? VAL A 182 GLU A 186 AB 1 VAL A 36 ? GLY A 39 ? VAL A 36 GLY A 39 AB 2 GLY A 51 ? ARG A 54 ? GLY A 51 ARG A 54 AB 3 LYS A 169 ? VAL A 175 ? LYS A 169 VAL A 175 AB 4 ALA A 159 ? GLN A 166 ? ALA A 159 GLN A 166 AB 5 TYR A 137 ? SER A 141 ? TYR A 137 SER A 141 AB 6 PHE A 127 ? LYS A 131 ? PHE A 127 LYS A 131 AC 1 VAL A 66 ? PRO A 70 ? VAL A 66 PRO A 70 AC 2 LEU A 81 ? PHE A 85 ? LEU A 81 PHE A 85 AD 1 TRP A 99 ? ASN A 105 ? TRP A 99 ASN A 105 AD 2 THR A 110 ? THR A 115 ? THR A 110 THR A 115 # 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 AA 1 2 N ILE A 25 ? N ILE A 25 O LEU A 183 ? O LEU A 183 AB 1 2 N GLY A 39 ? N GLY A 39 O GLY A 51 ? O GLY A 51 AB 2 3 N ARG A 54 ? N ARG A 54 O ARG A 170 ? O ARG A 170 AB 3 4 N VAL A 175 ? N VAL A 175 O LYS A 160 ? O LYS A 160 AB 4 5 N VAL A 161 ? N VAL A 161 O LEU A 139 ? O LEU A 139 AB 5 6 N LEU A 140 ? N LEU A 140 O LYS A 128 ? O LYS A 128 AC 1 2 N ILE A 69 ? N ILE A 69 O ASN A 82 ? O ASN A 82 AD 1 2 N ASN A 105 ? N ASN A 105 O THR A 110 ? O THR A 110 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 2 _struct_site.details 'Binding site for Mono-Saccharide NAG A1188 bound to ASN A 19' # 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 2 ASN A 17 ? ASN A 17 . ? 1_555 ? 2 AC1 2 ASN A 19 ? ASN A 19 . ? 1_555 ? # _database_PDB_matrix.entry_id 5G00 _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 5G00 _atom_sites.fract_transf_matrix[1][1] 0.012957 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012957 _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] 0.010428 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C 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 . PRO A 1 3 ? -32.706 25.783 6.104 1.00 116.63 ? 3 PRO A N 1 ATOM 2 C CA . PRO A 1 3 ? -33.053 24.422 5.675 1.00 118.32 ? 3 PRO A CA 1 ATOM 3 C C . PRO A 1 3 ? -32.219 23.340 6.378 1.00 114.44 ? 3 PRO A C 1 ATOM 4 O O . PRO A 1 3 ? -31.105 23.046 5.945 1.00 114.43 ? 3 PRO A O 1 ATOM 5 C CB . PRO A 1 3 ? -32.763 24.462 4.173 1.00 116.43 ? 3 PRO A CB 1 ATOM 6 C CG . PRO A 1 3 ? -33.082 25.866 3.780 1.00 115.94 ? 3 PRO A CG 1 ATOM 7 C CD . PRO A 1 3 ? -32.800 26.747 4.993 1.00 115.34 ? 3 PRO A CD 1 ATOM 8 N N . LEU A 1 4 ? -32.765 22.755 7.447 1.00 108.21 ? 4 LEU A N 1 ATOM 9 C CA . LEU A 1 4 ? -31.986 21.875 8.335 1.00 105.17 ? 4 LEU A CA 1 ATOM 10 C C . LEU A 1 4 ? -31.541 20.579 7.642 1.00 102.49 ? 4 LEU A C 1 ATOM 11 O O . LEU A 1 4 ? -32.326 19.937 6.941 1.00 103.91 ? 4 LEU A O 1 ATOM 12 C CB . LEU A 1 4 ? -32.776 21.540 9.630 1.00 101.47 ? 4 LEU A CB 1 ATOM 13 C CG . LEU A 1 4 ? -34.278 21.170 9.646 1.00 103.61 ? 4 LEU A CG 1 ATOM 14 C CD1 . LEU A 1 4 ? -34.597 19.810 8.992 1.00 99.88 ? 4 LEU A CD1 1 ATOM 15 C CD2 . LEU A 1 4 ? -34.825 21.200 11.079 1.00 95.15 ? 4 LEU A CD2 1 ATOM 16 N N . PRO A 1 5 ? -30.257 20.221 7.803 1.00 97.15 ? 5 PRO A N 1 ATOM 17 C CA . PRO A 1 5 ? -29.744 18.913 7.395 1.00 92.58 ? 5 PRO A CA 1 ATOM 18 C C . PRO A 1 5 ? -30.660 17.759 7.774 1.00 92.49 ? 5 PRO A C 1 ATOM 19 O O . PRO A 1 5 ? -31.071 17.654 8.929 1.00 92.31 ? 5 PRO A O 1 ATOM 20 C CB . PRO A 1 5 ? -28.425 18.830 8.146 1.00 83.21 ? 5 PRO A CB 1 ATOM 21 C CG . PRO A 1 5 ? -27.921 20.239 8.061 1.00 91.77 ? 5 PRO A CG 1 ATOM 22 C CD . PRO A 1 5 ? -29.156 21.133 8.160 1.00 98.35 ? 5 PRO A CD 1 ATOM 23 N N . LYS A 1 6 ? -30.982 16.919 6.794 1.00 87.57 ? 6 LYS A N 1 ATOM 24 C CA . LYS A 1 6 ? -31.825 15.755 7.017 1.00 79.01 ? 6 LYS A CA 1 ATOM 25 C C . LYS A 1 6 ? -30.943 14.541 7.315 1.00 78.78 ? 6 LYS A C 1 ATOM 26 O O . LYS A 1 6 ? -29.972 14.290 6.599 1.00 77.39 ? 6 LYS A O 1 ATOM 27 C CB . LYS A 1 6 ? -32.728 15.507 5.796 1.00 75.23 ? 6 LYS A CB 1 ATOM 28 C CG . LYS A 1 6 ? -33.647 14.273 5.902 1.00 78.95 ? 6 LYS A CG 1 ATOM 29 C CD . LYS A 1 6 ? -34.782 14.474 6.917 1.00 81.40 ? 6 LYS A CD 1 ATOM 30 C CE . LYS A 1 6 ? -35.467 13.165 7.332 1.00 79.15 ? 6 LYS A CE 1 ATOM 31 N NZ . LYS A 1 6 ? -34.710 12.313 8.317 1.00 75.23 ? 6 LYS A NZ 1 ATOM 32 N N . PRO A 1 7 ? -31.259 13.800 8.394 1.00 77.12 ? 7 PRO A N 1 ATOM 33 C CA . PRO A 1 7 ? -30.508 12.603 8.769 1.00 71.47 ? 7 PRO A CA 1 ATOM 34 C C . PRO A 1 7 ? -30.935 11.386 7.978 1.00 73.97 ? 7 PRO A C 1 ATOM 35 O O . PRO A 1 7 ? -32.091 11.278 7.567 1.00 75.78 ? 7 PRO A O 1 ATOM 36 C CB . PRO A 1 7 ? -30.863 12.421 10.246 1.00 73.30 ? 7 PRO A CB 1 ATOM 37 C CG . PRO A 1 7 ? -32.232 12.931 10.342 1.00 70.74 ? 7 PRO A CG 1 ATOM 38 C CD . PRO A 1 7 ? -32.260 14.137 9.421 1.00 80.87 ? 7 PRO A CD 1 ATOM 39 N N . VAL A 1 8 ? -30.009 10.459 7.796 1.00 68.18 ? 8 VAL A N 1 ATOM 40 C CA . VAL A 1 8 ? -30.290 9.250 7.045 1.00 70.51 ? 8 VAL A CA 1 ATOM 41 C C . VAL A 1 8 ? -30.806 8.192 8.012 1.00 71.30 ? 8 VAL A C 1 ATOM 42 O O . VAL A 1 8 ? -30.252 8.041 9.102 1.00 69.93 ? 8 VAL A O 1 ATOM 43 C CB . VAL A 1 8 ? -29.025 8.777 6.301 1.00 69.00 ? 8 VAL A CB 1 ATOM 44 C CG1 . VAL A 1 8 ? -29.246 7.432 5.643 1.00 61.36 ? 8 VAL A CG1 1 ATOM 45 C CG2 . VAL A 1 8 ? -28.607 9.849 5.282 1.00 63.16 ? 8 VAL A CG2 1 ATOM 46 N N . LEU A 1 9 ? -31.877 7.487 7.642 1.00 68.77 ? 9 LEU A N 1 ATOM 47 C CA . LEU A 1 9 ? -32.489 6.527 8.562 1.00 66.44 ? 9 LEU A CA 1 ATOM 48 C C . LEU A 1 9 ? -32.317 5.092 8.106 1.00 69.31 ? 9 LEU A C 1 ATOM 49 O O . LEU A 1 9 ? -32.168 4.823 6.917 1.00 71.73 ? 9 LEU A O 1 ATOM 50 C CB . LEU A 1 9 ? -33.975 6.807 8.735 1.00 69.06 ? 9 LEU A CB 1 ATOM 51 C CG . LEU A 1 9 ? -34.474 8.244 8.897 1.00 78.34 ? 9 LEU A CG 1 ATOM 52 C CD1 . LEU A 1 9 ? -35.976 8.203 9.102 1.00 73.38 ? 9 LEU A CD1 1 ATOM 53 C CD2 . LEU A 1 9 ? -33.784 8.974 10.048 1.00 76.89 ? 9 LEU A CD2 1 ATOM 54 N N . ASP A 1 10 ? -32.363 4.163 9.053 1.00 69.24 ? 10 ASP A N 1 ATOM 55 C CA . ASP A 1 10 ? -32.268 2.761 8.693 1.00 68.49 ? 10 ASP A CA 1 ATOM 56 C C . ASP A 1 10 ? -33.644 2.147 8.380 1.00 70.53 ? 10 ASP A C 1 ATOM 57 O O . ASP A 1 10 ? -34.611 2.862 8.062 1.00 63.55 ? 10 ASP A O 1 ATOM 58 C CB . ASP A 1 10 ? -31.522 1.962 9.793 1.00 72.79 ? 10 ASP A CB 1 ATOM 59 C CG . ASP A 1 10 ? -32.275 1.866 11.127 1.00 77.18 ? 10 ASP A CG 1 ATOM 60 O OD1 . ASP A 1 10 ? -33.255 2.606 11.360 1.00 75.48 ? 10 ASP A OD1 1 ATOM 61 O OD2 . ASP A 1 10 ? -31.848 1.030 11.963 1.00 80.39 ? 10 ASP A OD2 1 ATOM 62 N N . THR A 1 11 ? -33.708 0.816 8.419 1.00 67.91 ? 11 THR A N 1 ATOM 63 C CA . THR A 1 11 ? -34.907 0.094 8.035 1.00 69.13 ? 11 THR A CA 1 ATOM 64 C C . THR A 1 11 ? -35.902 0.093 9.199 1.00 77.91 ? 11 THR A C 1 ATOM 65 O O . THR A 1 11 ? -36.892 -0.644 9.183 1.00 77.98 ? 11 THR A O 1 ATOM 66 C CB . THR A 1 11 ? -34.604 -1.387 7.596 1.00 71.48 ? 11 THR A CB 1 ATOM 67 O OG1 . THR A 1 11 ? -34.062 -2.149 8.688 1.00 66.58 ? 11 THR A OG1 1 ATOM 68 C CG2 . THR A 1 11 ? -33.653 -1.436 6.417 1.00 73.14 ? 11 THR A CG2 1 ATOM 69 N N . ASN A 1 12 ? -35.633 0.913 10.212 1.00 74.90 ? 12 ASN A N 1 ATOM 70 C CA . ASN A 1 12 ? -36.483 0.960 11.393 1.00 69.02 ? 12 ASN A CA 1 ATOM 71 C C . ASN A 1 12 ? -36.877 2.386 11.754 1.00 73.86 ? 12 ASN A C 1 ATOM 72 O O . ASN A 1 12 ? -37.567 2.604 12.740 1.00 78.72 ? 12 ASN A O 1 ATOM 73 C CB . ASN A 1 12 ? -35.790 0.286 12.579 1.00 64.52 ? 12 ASN A CB 1 ATOM 74 C CG . ASN A 1 12 ? -35.923 -1.217 12.551 1.00 70.51 ? 12 ASN A CG 1 ATOM 75 O OD1 . ASN A 1 12 ? -36.756 -1.762 11.826 1.00 78.76 ? 12 ASN A OD1 1 ATOM 76 N ND2 . ASN A 1 12 ? -35.110 -1.901 13.343 1.00 64.47 ? 12 ASN A ND2 1 ATOM 77 N N . GLY A 1 13 ? -36.464 3.353 10.941 1.00 72.61 ? 13 GLY A N 1 ATOM 78 C CA . GLY A 1 13 ? -36.763 4.750 11.206 1.00 70.99 ? 13 GLY A CA 1 ATOM 79 C C . GLY A 1 13 ? -35.650 5.420 11.997 1.00 77.39 ? 13 GLY A C 1 ATOM 80 O O . GLY A 1 13 ? -35.343 6.603 11.787 1.00 78.55 ? 13 GLY A O 1 ATOM 81 N N . LYS A 1 14 ? -35.034 4.649 12.897 1.00 78.84 ? 14 LYS A N 1 ATOM 82 C CA . LYS A 1 14 ? -33.924 5.116 13.743 1.00 75.73 ? 14 LYS A CA 1 ATOM 83 C C . LYS A 1 14 ? -32.733 5.627 12.933 1.00 77.73 ? 14 LYS A C 1 ATOM 84 O O . LYS A 1 14 ? -32.244 4.931 12.039 1.00 81.06 ? 14 LYS A O 1 ATOM 85 C CB . LYS A 1 14 ? -33.463 3.991 14.663 1.00 77.26 ? 14 LYS A CB 1 ATOM 86 C CG . LYS A 1 14 ? -32.391 4.415 15.641 1.00 81.48 ? 14 LYS A CG 1 ATOM 87 C CD . LYS A 1 14 ? -31.772 3.195 16.298 1.00 86.27 ? 14 LYS A CD 1 ATOM 88 C CE . LYS A 1 14 ? -30.618 3.583 17.201 1.00 90.97 ? 14 LYS A CE 1 ATOM 89 N NZ . LYS A 1 14 ? -29.939 2.367 17.712 1.00 92.31 ? 14 LYS A NZ 1 ATOM 90 N N . GLU A 1 15 ? -32.258 6.830 13.249 1.00 77.34 ? 15 GLU A N 1 ATOM 91 C CA . GLU A 1 15 ? -31.237 7.482 12.431 1.00 75.06 ? 15 GLU A CA 1 ATOM 92 C C . GLU A 1 15 ? -29.936 6.685 12.383 1.00 76.71 ? 15 GLU A C 1 ATOM 93 O O . GLU A 1 15 ? -29.743 5.731 13.147 1.00 68.82 ? 15 GLU A O 1 ATOM 94 C CB . GLU A 1 15 ? -30.961 8.896 12.935 1.00 70.04 ? 15 GLU A CB 1 ATOM 95 C CG . GLU A 1 15 ? -32.211 9.725 13.137 1.00 85.13 ? 15 GLU A CG 1 ATOM 96 C CD . GLU A 1 15 ? -31.960 10.973 13.967 1.00 94.70 ? 15 GLU A CD 1 ATOM 97 O OE1 . GLU A 1 15 ? -30.921 11.018 14.659 1.00 98.90 ? 15 GLU A OE1 1 ATOM 98 O OE2 . GLU A 1 15 ? -32.796 11.907 13.929 1.00 95.63 ? 15 GLU A OE2 1 ATOM 99 N N . LEU A 1 16 ? -29.060 7.072 11.455 1.00 78.59 ? 16 LEU A N 1 ATOM 100 C CA . LEU A 1 16 ? -27.804 6.361 11.245 1.00 75.47 ? 16 LEU A CA 1 ATOM 101 C C . LEU A 1 16 ? -26.756 6.849 12.231 1.00 79.74 ? 16 LEU A C 1 ATOM 102 O O . LEU A 1 16 ? -26.489 8.061 12.373 1.00 76.30 ? 16 LEU A O 1 ATOM 103 C CB . LEU A 1 16 ? -27.295 6.503 9.798 1.00 73.96 ? 16 LEU A CB 1 ATOM 104 C CG . LEU A 1 16 ? -27.802 5.458 8.788 1.00 73.45 ? 16 LEU A CG 1 ATOM 105 C CD1 . LEU A 1 16 ? -26.733 5.086 7.744 1.00 68.97 ? 16 LEU A CD1 1 ATOM 106 C CD2 . LEU A 1 16 ? -28.324 4.218 9.496 1.00 70.25 ? 16 LEU A CD2 1 ATOM 107 N N . ASN A 1 17 ? -26.176 5.860 12.904 1.00 80.00 ? 17 ASN A N 1 ATOM 108 C CA . ASN A 1 17 ? -25.265 6.053 14.020 1.00 79.75 ? 17 ASN A CA 1 ATOM 109 C C . ASN A 1 17 ? -23.848 5.536 13.716 1.00 72.50 ? 17 ASN A C 1 ATOM 110 O O . ASN A 1 17 ? -23.670 4.337 13.464 1.00 71.84 ? 17 ASN A O 1 ATOM 111 C CB . ASN A 1 17 ? -25.853 5.344 15.251 1.00 80.80 ? 17 ASN A CB 1 ATOM 112 C CG . ASN A 1 17 ? -24.980 5.474 16.484 1.00 86.76 ? 17 ASN A CG 1 ATOM 113 O OD1 . ASN A 1 17 ? -23.990 6.208 16.477 1.00 88.38 ? 17 ASN A OD1 1 ATOM 114 N ND2 . ASN A 1 17 ? -25.342 4.758 17.554 1.00 83.08 ? 17 ASN A ND2 1 ATOM 115 N N . PRO A 1 18 ? -22.837 6.435 13.750 1.00 74.87 ? 18 PRO A N 1 ATOM 116 C CA . PRO A 1 18 ? -21.421 6.060 13.622 1.00 67.46 ? 18 PRO A CA 1 ATOM 117 C C . PRO A 1 18 ? -21.037 4.876 14.522 1.00 71.74 ? 18 PRO A C 1 ATOM 118 O O . PRO A 1 18 ? -20.163 4.061 14.188 1.00 75.28 ? 18 PRO A O 1 ATOM 119 C CB . PRO A 1 18 ? -20.699 7.331 14.048 1.00 62.73 ? 18 PRO A CB 1 ATOM 120 C CG . PRO A 1 18 ? -21.610 8.432 13.621 1.00 63.91 ? 18 PRO A CG 1 ATOM 121 C CD . PRO A 1 18 ? -23.003 7.901 13.857 1.00 77.16 ? 18 PRO A CD 1 ATOM 122 N N . ASN A 1 19 ? -21.741 4.766 15.640 1.00 71.72 ? 19 ASN A N 1 ATOM 123 C CA . ASN A 1 19 ? -21.469 3.769 16.639 1.00 69.11 ? 19 ASN A CA 1 ATOM 124 C C . ASN A 1 19 ? -22.073 2.444 16.299 1.00 74.94 ? 19 ASN A C 1 ATOM 125 O O . ASN A 1 19 ? -21.941 1.509 17.047 1.00 76.09 ? 19 ASN A O 1 ATOM 126 C CB . ASN A 1 19 ? -21.968 4.230 18.000 1.00 80.12 ? 19 ASN A CB 1 ATOM 127 C CG . ASN A 1 19 ? -21.125 5.342 18.583 1.00 91.87 ? 19 ASN A CG 1 ATOM 128 O OD1 . ASN A 1 19 ? -20.012 5.573 18.143 1.00 90.31 ? 19 ASN A OD1 1 ATOM 129 N ND2 . ASN A 1 19 ? -21.655 6.037 19.575 1.00 93.93 ? 19 ASN A ND2 1 ATOM 130 N N . SER A 1 20 ? -22.715 2.335 15.146 1.00 80.18 ? 20 SER A N 1 ATOM 131 C CA . SER A 1 20 ? -23.339 1.065 14.793 1.00 77.46 ? 20 SER A CA 1 ATOM 132 C C . SER A 1 20 ? -22.937 0.561 13.400 1.00 71.13 ? 20 SER A C 1 ATOM 133 O O . SER A 1 20 ? -22.404 1.324 12.592 1.00 66.53 ? 20 SER A O 1 ATOM 134 C CB . SER A 1 20 ? -24.858 1.193 14.894 1.00 72.86 ? 20 SER A CB 1 ATOM 135 O OG . SER A 1 20 ? -25.442 -0.092 14.992 1.00 79.16 ? 20 SER A OG 1 ATOM 136 N N . SER A 1 21 ? -23.200 -0.724 13.146 1.00 66.09 ? 21 SER A N 1 ATOM 137 C CA . SER A 1 21 ? -22.942 -1.362 11.850 1.00 71.21 ? 21 SER A CA 1 ATOM 138 C C . SER A 1 21 ? -24.217 -1.711 11.083 1.00 77.23 ? 21 SER A C 1 ATOM 139 O O . SER A 1 21 ? -25.206 -2.155 11.668 1.00 79.36 ? 21 SER A O 1 ATOM 140 C CB . SER A 1 21 ? -22.122 -2.633 12.035 1.00 66.95 ? 21 SER A CB 1 ATOM 141 O OG . SER A 1 21 ? -20.854 -2.315 12.579 1.00 80.72 ? 21 SER A OG 1 ATOM 142 N N . TYR A 1 22 ? -24.168 -1.536 9.764 1.00 73.97 ? 22 TYR A N 1 ATOM 143 C CA . TYR A 1 22 ? -25.319 -1.736 8.892 1.00 70.14 ? 22 TYR A CA 1 ATOM 144 C C . TYR A 1 22 ? -25.009 -2.613 7.690 1.00 69.16 ? 22 TYR A C 1 ATOM 145 O O . TYR A 1 22 ? -23.894 -2.596 7.167 1.00 68.25 ? 22 TYR A O 1 ATOM 146 C CB . TYR A 1 22 ? -25.830 -0.389 8.404 1.00 64.69 ? 22 TYR A CB 1 ATOM 147 C CG . TYR A 1 22 ? -26.112 0.535 9.539 1.00 70.48 ? 22 TYR A CG 1 ATOM 148 C CD1 . TYR A 1 22 ? -25.112 1.335 10.065 1.00 67.30 ? 22 TYR A CD1 1 ATOM 149 C CD2 . TYR A 1 22 ? -27.380 0.593 10.113 1.00 77.55 ? 22 TYR A CD2 1 ATOM 150 C CE1 . TYR A 1 22 ? -25.359 2.183 11.125 1.00 74.69 ? 22 TYR A CE1 1 ATOM 151 C CE2 . TYR A 1 22 ? -27.647 1.436 11.189 1.00 74.92 ? 22 TYR A CE2 1 ATOM 152 C CZ . TYR A 1 22 ? -26.631 2.240 11.690 1.00 78.38 ? 22 TYR A CZ 1 ATOM 153 O OH . TYR A 1 22 ? -26.867 3.104 12.749 1.00 74.84 ? 22 TYR A OH 1 ATOM 154 N N . ARG A 1 23 ? -26.001 -3.380 7.252 1.00 70.09 ? 23 ARG A N 1 ATOM 155 C CA . ARG A 1 23 ? -25.949 -3.983 5.927 1.00 62.07 ? 23 ARG A CA 1 ATOM 156 C C . ARG A 1 23 ? -26.580 -3.012 4.944 1.00 65.18 ? 23 ARG A C 1 ATOM 157 O O . ARG A 1 23 ? -27.643 -2.461 5.211 1.00 66.25 ? 23 ARG A O 1 ATOM 158 C CB . ARG A 1 23 ? -26.661 -5.325 5.894 1.00 62.71 ? 23 ARG A CB 1 ATOM 159 C CG . ARG A 1 23 ? -25.752 -6.474 6.184 1.00 65.51 ? 23 ARG A CG 1 ATOM 160 C CD . ARG A 1 23 ? -26.391 -7.447 7.123 1.00 71.34 ? 23 ARG A CD 1 ATOM 161 N NE . ARG A 1 23 ? -25.388 -8.187 7.884 1.00 76.95 ? 23 ARG A NE 1 ATOM 162 C CZ . ARG A 1 23 ? -25.653 -8.947 8.946 1.00 81.89 ? 23 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 23 ? -26.905 -9.073 9.383 1.00 86.55 ? 23 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 23 ? -24.666 -9.580 9.571 1.00 81.14 ? 23 ARG A NH2 1 ATOM 165 N N . ILE A 1 24 ? -25.889 -2.754 3.838 1.00 65.42 ? 24 ILE A N 1 ATOM 166 C CA . ILE A 1 24 ? -26.480 -2.018 2.747 1.00 58.50 ? 24 ILE A CA 1 ATOM 167 C C . ILE A 1 24 ? -27.244 -3.046 1.962 1.00 64.90 ? 24 ILE A C 1 ATOM 168 O O . ILE A 1 24 ? -26.638 -3.927 1.327 1.00 59.48 ? 24 ILE A O 1 ATOM 169 C CB . ILE A 1 24 ? -25.450 -1.317 1.859 1.00 60.05 ? 24 ILE A CB 1 ATOM 170 C CG1 . ILE A 1 24 ? -24.519 -0.467 2.722 1.00 60.00 ? 24 ILE A CG1 1 ATOM 171 C CG2 . ILE A 1 24 ? -26.150 -0.453 0.842 1.00 51.13 ? 24 ILE A CG2 1 ATOM 172 C CD1 . ILE A 1 24 ? -23.644 0.457 1.942 1.00 58.65 ? 24 ILE A CD1 1 ATOM 173 N N . ILE A 1 25 ? -28.577 -2.959 2.051 1.00 67.32 ? 25 ILE A N 1 ATOM 174 C CA . ILE A 1 25 ? -29.452 -3.928 1.408 1.00 60.20 ? 25 ILE A CA 1 ATOM 175 C C . ILE A 1 25 ? -30.251 -3.284 0.292 1.00 59.28 ? 25 ILE A C 1 ATOM 176 O O . ILE A 1 25 ? -30.469 -2.058 0.264 1.00 60.94 ? 25 ILE A O 1 ATOM 177 C CB . ILE A 1 25 ? -30.436 -4.604 2.409 1.00 67.32 ? 25 ILE A CB 1 ATOM 178 C CG1 . ILE A 1 25 ? -31.594 -3.667 2.787 1.00 67.98 ? 25 ILE A CG1 1 ATOM 179 C CG2 . ILE A 1 25 ? -29.698 -5.124 3.646 1.00 62.32 ? 25 ILE A CG2 1 ATOM 180 C CD1 . ILE A 1 25 ? -32.647 -4.316 3.716 1.00 61.97 ? 25 ILE A CD1 1 ATOM 181 N N . SER A 1 26 ? -30.683 -4.148 -0.616 1.00 53.93 ? 26 SER A N 1 ATOM 182 C CA . SER A 1 26 ? -31.405 -3.778 -1.818 1.00 58.75 ? 26 SER A CA 1 ATOM 183 C C . SER A 1 26 ? -32.944 -3.656 -1.677 1.00 64.06 ? 26 SER A C 1 ATOM 184 O O . SER A 1 26 ? -33.611 -4.581 -1.205 1.00 59.32 ? 26 SER A O 1 ATOM 185 C CB . SER A 1 26 ? -31.098 -4.808 -2.909 1.00 61.14 ? 26 SER A CB 1 ATOM 186 O OG . SER A 1 26 ? -31.773 -4.460 -4.104 1.00 67.88 ? 26 SER A OG 1 ATOM 187 N N . ILE A 1 27 ? -33.496 -2.517 -2.106 1.00 64.53 ? 27 ILE A N 1 ATOM 188 C CA . ILE A 1 27 ? -34.926 -2.407 -2.426 1.00 64.34 ? 27 ILE A CA 1 ATOM 189 C C . ILE A 1 27 ? -35.416 -3.637 -3.223 1.00 66.81 ? 27 ILE A C 1 ATOM 190 O O . ILE A 1 27 ? -36.272 -4.374 -2.754 1.00 72.60 ? 27 ILE A O 1 ATOM 191 C CB . ILE A 1 27 ? -35.225 -1.126 -3.243 1.00 65.42 ? 27 ILE A CB 1 ATOM 192 C CG1 . ILE A 1 27 ? -34.886 0.119 -2.428 1.00 68.76 ? 27 ILE A CG1 1 ATOM 193 C CG2 . ILE A 1 27 ? -36.687 -1.096 -3.710 1.00 71.72 ? 27 ILE A CG2 1 ATOM 194 C CD1 . ILE A 1 27 ? -35.690 0.222 -1.127 1.00 74.06 ? 27 ILE A CD1 1 ATOM 195 N N . GLY A 1 28 ? -34.867 -3.849 -4.420 1.00 70.44 ? 28 GLY A N 1 ATOM 196 C CA . GLY A 1 28 ? -35.173 -5.020 -5.232 1.00 66.70 ? 28 GLY A CA 1 ATOM 197 C C . GLY A 1 28 ? -35.229 -6.317 -4.442 1.00 72.68 ? 28 GLY A C 1 ATOM 198 O O . GLY A 1 28 ? -34.447 -6.538 -3.503 1.00 72.75 ? 28 GLY A O 1 ATOM 199 N N . ARG A 1 29 ? -36.171 -7.179 -4.813 1.00 79.14 ? 29 ARG A N 1 ATOM 200 C CA . ARG A 1 29 ? -36.426 -8.397 -4.052 1.00 75.32 ? 29 ARG A CA 1 ATOM 201 C C . ARG A 1 29 ? -36.083 -9.649 -4.873 1.00 76.86 ? 29 ARG A C 1 ATOM 202 O O . ARG A 1 29 ? -36.250 -9.684 -6.099 1.00 75.10 ? 29 ARG A O 1 ATOM 203 C CB . ARG A 1 29 ? -37.892 -8.403 -3.583 1.00 78.57 ? 29 ARG A CB 1 ATOM 204 C CG . ARG A 1 29 ? -38.500 -6.977 -3.510 1.00 82.77 ? 29 ARG A CG 1 ATOM 205 C CD . ARG A 1 29 ? -39.985 -6.901 -3.092 1.00 83.25 ? 29 ARG A CD 1 ATOM 206 N NE . ARG A 1 29 ? -40.897 -7.067 -4.237 1.00 92.23 ? 29 ARG A NE 1 ATOM 207 C CZ . ARG A 1 29 ? -41.202 -6.121 -5.135 1.00 89.87 ? 29 ARG A CZ 1 ATOM 208 N NH1 . ARG A 1 29 ? -40.682 -4.896 -5.050 1.00 79.37 ? 29 ARG A NH1 1 ATOM 209 N NH2 . ARG A 1 29 ? -42.041 -6.405 -6.132 1.00 93.52 ? 29 ARG A NH2 1 ATOM 210 N N . GLY A 1 30 ? -35.573 -10.667 -4.191 1.00 76.03 ? 30 GLY A N 1 ATOM 211 C CA . GLY A 1 30 ? -35.261 -11.930 -4.832 1.00 75.02 ? 30 GLY A CA 1 ATOM 212 C C . GLY A 1 30 ? -34.050 -11.860 -5.735 1.00 80.76 ? 30 GLY A C 1 ATOM 213 O O . GLY A 1 30 ? -32.935 -11.529 -5.302 1.00 80.90 ? 30 GLY A O 1 ATOM 214 N N . ALA A 1 31 ? -34.266 -12.191 -7.001 1.00 80.33 ? 31 ALA A N 1 ATOM 215 C CA . ALA A 1 31 ? -33.205 -12.112 -7.988 1.00 76.22 ? 31 ALA A CA 1 ATOM 216 C C . ALA A 1 31 ? -32.730 -10.667 -8.103 1.00 78.44 ? 31 ALA A C 1 ATOM 217 O O . ALA A 1 31 ? -31.523 -10.428 -8.172 1.00 78.79 ? 31 ALA A O 1 ATOM 218 C CB . ALA A 1 31 ? -33.675 -12.639 -9.338 1.00 76.36 ? 31 ALA A CB 1 ATOM 219 N N . LEU A 1 32 ? -33.676 -9.717 -8.097 1.00 76.35 ? 32 LEU A N 1 ATOM 220 C CA . LEU A 1 32 ? -33.371 -8.279 -8.132 1.00 67.62 ? 32 LEU A CA 1 ATOM 221 C C . LEU A 1 32 ? -32.670 -7.710 -6.885 1.00 69.04 ? 32 LEU A C 1 ATOM 222 O O . LEU A 1 32 ? -32.477 -6.496 -6.787 1.00 64.30 ? 32 LEU A O 1 ATOM 223 C CB . LEU A 1 32 ? -34.645 -7.472 -8.331 1.00 66.39 ? 32 LEU A CB 1 ATOM 224 C CG . LEU A 1 32 ? -35.290 -7.285 -9.697 1.00 73.27 ? 32 LEU A CG 1 ATOM 225 C CD1 . LEU A 1 32 ? -36.080 -5.978 -9.675 1.00 77.63 ? 32 LEU A CD1 1 ATOM 226 C CD2 . LEU A 1 32 ? -34.276 -7.290 -10.830 1.00 77.43 ? 32 LEU A CD2 1 ATOM 227 N N . GLY A 1 33 ? -32.325 -8.563 -5.926 1.00 68.65 ? 33 GLY A N 1 ATOM 228 C CA . GLY A 1 33 ? -31.716 -8.098 -4.697 1.00 65.99 ? 33 GLY A CA 1 ATOM 229 C C . GLY A 1 33 ? -30.391 -8.784 -4.412 1.00 70.09 ? 33 GLY A C 1 ATOM 230 O O . GLY A 1 33 ? -29.933 -9.653 -5.159 1.00 66.35 ? 33 GLY A O 1 ATOM 231 N N . GLY A 1 34 ? -29.788 -8.399 -3.298 1.00 67.85 ? 34 GLY A N 1 ATOM 232 C CA . GLY A 1 34 ? -28.469 -8.870 -2.927 1.00 63.18 ? 34 GLY A CA 1 ATOM 233 C C . GLY A 1 34 ? -27.776 -7.728 -2.209 1.00 57.34 ? 34 GLY A C 1 ATOM 234 O O . GLY A 1 34 ? -27.677 -6.621 -2.746 1.00 54.45 ? 34 GLY A O 1 ATOM 235 N N . ASP A 1 35 ? -27.338 -7.986 -0.980 1.00 60.10 ? 35 ASP A N 1 ATOM 236 C CA . ASP A 1 35 ? -26.643 -6.985 -0.181 1.00 60.15 ? 35 ASP A CA 1 ATOM 237 C C . ASP A 1 35 ? -25.271 -6.639 -0.772 1.00 59.50 ? 35 ASP A C 1 ATOM 238 O O . ASP A 1 35 ? -24.621 -7.481 -1.397 1.00 54.99 ? 35 ASP A O 1 ATOM 239 C CB . ASP A 1 35 ? -26.435 -7.468 1.261 1.00 63.80 ? 35 ASP A CB 1 ATOM 240 C CG . ASP A 1 35 ? -27.707 -8.029 1.921 1.00 71.49 ? 35 ASP A CG 1 ATOM 241 O OD1 . ASP A 1 35 ? -28.856 -7.635 1.559 1.00 62.10 ? 35 ASP A OD1 1 ATOM 242 O OD2 . ASP A 1 35 ? -27.521 -8.847 2.856 1.00 69.63 ? 35 ASP A OD2 1 ATOM 243 N N . VAL A 1 36 ? -24.837 -5.401 -0.553 1.00 57.13 ? 36 VAL A N 1 ATOM 244 C CA . VAL A 1 36 ? -23.450 -5.021 -0.777 1.00 60.84 ? 36 VAL A CA 1 ATOM 245 C C . VAL A 1 36 ? -22.492 -5.864 0.106 1.00 66.27 ? 36 VAL A C 1 ATOM 246 O O . VAL A 1 36 ? -22.815 -6.164 1.268 1.00 65.68 ? 36 VAL A O 1 ATOM 247 C CB . VAL A 1 36 ? -23.263 -3.529 -0.506 1.00 56.00 ? 36 VAL A CB 1 ATOM 248 C CG1 . VAL A 1 36 ? -21.803 -3.129 -0.665 1.00 62.79 ? 36 VAL A CG1 1 ATOM 249 C CG2 . VAL A 1 36 ? -24.147 -2.731 -1.445 1.00 50.20 ? 36 VAL A CG2 1 ATOM 250 N N . TYR A 1 37 ? -21.355 -6.297 -0.453 1.00 60.27 ? 37 TYR A N 1 ATOM 251 C CA . TYR A 1 37 ? -20.359 -7.056 0.329 1.00 62.11 ? 37 TYR A CA 1 ATOM 252 C C . TYR A 1 37 ? -18.926 -6.763 -0.123 1.00 64.33 ? 37 TYR A C 1 ATOM 253 O O . TYR A 1 37 ? -18.688 -5.999 -1.062 1.00 62.71 ? 37 TYR A O 1 ATOM 254 C CB . TYR A 1 37 ? -20.622 -8.583 0.280 1.00 60.52 ? 37 TYR A CB 1 ATOM 255 C CG . TYR A 1 37 ? -20.387 -9.278 -1.066 1.00 65.34 ? 37 TYR A CG 1 ATOM 256 C CD1 . TYR A 1 37 ? -21.355 -9.240 -2.082 1.00 63.44 ? 37 TYR A CD1 1 ATOM 257 C CD2 . TYR A 1 37 ? -19.218 -9.995 -1.314 1.00 60.04 ? 37 TYR A CD2 1 ATOM 258 C CE1 . TYR A 1 37 ? -21.154 -9.885 -3.309 1.00 57.38 ? 37 TYR A CE1 1 ATOM 259 C CE2 . TYR A 1 37 ? -19.009 -10.644 -2.544 1.00 58.79 ? 37 TYR A CE2 1 ATOM 260 C CZ . TYR A 1 37 ? -19.977 -10.579 -3.532 1.00 59.60 ? 37 TYR A CZ 1 ATOM 261 O OH . TYR A 1 37 ? -19.774 -11.204 -4.743 1.00 62.93 ? 37 TYR A OH 1 ATOM 262 N N . LEU A 1 38 ? -17.975 -7.363 0.582 1.00 67.30 ? 38 LEU A N 1 ATOM 263 C CA . LEU A 1 38 ? -16.560 -7.206 0.283 1.00 64.08 ? 38 LEU A CA 1 ATOM 264 C C . LEU A 1 38 ? -16.050 -8.435 -0.458 1.00 67.51 ? 38 LEU A C 1 ATOM 265 O O . LEU A 1 38 ? -16.005 -9.536 0.112 1.00 59.21 ? 38 LEU A O 1 ATOM 266 C CB . LEU A 1 38 ? -15.755 -6.995 1.576 1.00 63.41 ? 38 LEU A CB 1 ATOM 267 C CG . LEU A 1 38 ? -14.232 -7.124 1.445 1.00 61.30 ? 38 LEU A CG 1 ATOM 268 C CD1 . LEU A 1 38 ? -13.677 -5.962 0.642 1.00 60.43 ? 38 LEU A CD1 1 ATOM 269 C CD2 . LEU A 1 38 ? -13.586 -7.203 2.816 1.00 56.81 ? 38 LEU A CD2 1 ATOM 270 N N . GLY A 1 39 ? -15.663 -8.253 -1.720 1.00 67.07 ? 39 GLY A N 1 ATOM 271 C CA . GLY A 1 39 ? -15.126 -9.358 -2.503 1.00 67.19 ? 39 GLY A CA 1 ATOM 272 C C . GLY A 1 39 ? -13.754 -9.102 -3.106 1.00 73.43 ? 39 GLY A C 1 ATOM 273 O O . GLY A 1 39 ? -13.199 -7.999 -3.005 1.00 70.27 ? 39 GLY A O 1 ATOM 274 N N . LYS A 1 40 ? -13.194 -10.131 -3.733 1.00 78.89 ? 40 LYS A N 1 ATOM 275 C CA . LYS A 1 40 ? -11.954 -9.953 -4.468 1.00 76.25 ? 40 LYS A CA 1 ATOM 276 C C . LYS A 1 40 ? -12.266 -9.766 -5.939 1.00 77.51 ? 40 LYS A C 1 ATOM 277 O O . LYS A 1 40 ? -12.971 -10.580 -6.573 1.00 70.26 ? 40 LYS A O 1 ATOM 278 C CB . LYS A 1 40 ? -10.990 -11.128 -4.274 1.00 80.72 ? 40 LYS A CB 1 ATOM 279 C CG . LYS A 1 40 ? -9.611 -10.891 -4.917 1.00 87.69 ? 40 LYS A CG 1 ATOM 280 C CD . LYS A 1 40 ? -8.539 -10.522 -3.875 1.00 85.46 ? 40 LYS A CD 1 ATOM 281 C CE . LYS A 1 40 ? -7.180 -10.231 -4.510 1.00 77.67 ? 40 LYS A CE 1 ATOM 282 N NZ . LYS A 1 40 ? -6.124 -10.263 -3.454 1.00 73.73 ? 40 LYS A NZ 1 ATOM 283 N N . SER A 1 41 ? -11.727 -8.668 -6.457 1.00 76.16 ? 41 SER A N 1 ATOM 284 C CA . SER A 1 41 ? -11.822 -8.308 -7.860 1.00 78.21 ? 41 SER A CA 1 ATOM 285 C C . SER A 1 41 ? -11.152 -9.393 -8.726 1.00 77.58 ? 41 SER A C 1 ATOM 286 O O . SER A 1 41 ? -10.033 -9.832 -8.442 1.00 72.63 ? 41 SER A O 1 ATOM 287 C CB . SER A 1 41 ? -11.153 -6.947 -8.078 1.00 75.38 ? 41 SER A CB 1 ATOM 288 O OG . SER A 1 41 ? -11.100 -6.212 -6.854 1.00 72.46 ? 41 SER A OG 1 ATOM 289 N N . PRO A 1 42 ? -11.833 -9.821 -9.792 1.00 73.56 ? 42 PRO A N 1 ATOM 290 C CA . PRO A 1 42 ? -11.339 -10.926 -10.632 1.00 78.00 ? 42 PRO A CA 1 ATOM 291 C C . PRO A 1 42 ? -9.910 -10.714 -11.167 1.00 81.15 ? 42 PRO A C 1 ATOM 292 O O . PRO A 1 42 ? -9.171 -11.669 -11.431 1.00 76.27 ? 42 PRO A O 1 ATOM 293 C CB . PRO A 1 42 ? -12.343 -10.957 -11.796 1.00 79.09 ? 42 PRO A CB 1 ATOM 294 C CG . PRO A 1 42 ? -12.997 -9.599 -11.795 1.00 75.05 ? 42 PRO A CG 1 ATOM 295 C CD . PRO A 1 42 ? -13.034 -9.174 -10.350 1.00 73.56 ? 42 PRO A CD 1 ATOM 296 N N . ASN A 1 43 ? -9.541 -9.449 -11.323 1.00 79.28 ? 43 ASN A N 1 ATOM 297 C CA . ASN A 1 43 ? -8.273 -9.071 -11.903 1.00 76.32 ? 43 ASN A CA 1 ATOM 298 C C . ASN A 1 43 ? -7.494 -8.126 -10.991 1.00 84.41 ? 43 ASN A C 1 ATOM 299 O O . ASN A 1 43 ? -6.794 -7.237 -11.470 1.00 85.62 ? 43 ASN A O 1 ATOM 300 C CB . ASN A 1 43 ? -8.502 -8.407 -13.261 1.00 75.63 ? 43 ASN A CB 1 ATOM 301 C CG . ASN A 1 43 ? -9.555 -7.309 -13.196 1.00 79.32 ? 43 ASN A CG 1 ATOM 302 O OD1 . ASN A 1 43 ? -10.006 -6.953 -12.108 1.00 80.14 ? 43 ASN A OD1 1 ATOM 303 N ND2 . ASN A 1 43 ? -9.948 -6.767 -14.355 1.00 71.25 ? 43 ASN A ND2 1 ATOM 304 N N . SER A 1 44 ? -7.613 -8.302 -9.678 1.00 86.58 ? 44 SER A N 1 ATOM 305 C CA . SER A 1 44 ? -6.887 -7.430 -8.764 1.00 84.30 ? 44 SER A CA 1 ATOM 306 C C . SER A 1 44 ? -5.568 -8.049 -8.356 1.00 81.69 ? 44 SER A C 1 ATOM 307 O O . SER A 1 44 ? -5.482 -9.251 -8.118 1.00 82.26 ? 44 SER A O 1 ATOM 308 C CB . SER A 1 44 ? -7.707 -7.124 -7.514 1.00 77.39 ? 44 SER A CB 1 ATOM 309 O OG . SER A 1 44 ? -7.017 -6.203 -6.686 1.00 77.53 ? 44 SER A OG 1 ATOM 310 N N . ASP A 1 45 ? -4.544 -7.213 -8.265 1.00 79.29 ? 45 ASP A N 1 ATOM 311 C CA . ASP A 1 45 ? -3.258 -7.658 -7.748 1.00 88.86 ? 45 ASP A CA 1 ATOM 312 C C . ASP A 1 45 ? -3.174 -7.486 -6.240 1.00 88.02 ? 45 ASP A C 1 ATOM 313 O O . ASP A 1 45 ? -2.244 -7.982 -5.614 1.00 85.15 ? 45 ASP A O 1 ATOM 314 C CB . ASP A 1 45 ? -2.115 -6.895 -8.417 1.00 95.25 ? 45 ASP A CB 1 ATOM 315 C CG . ASP A 1 45 ? -2.033 -7.166 -9.903 1.00 95.01 ? 45 ASP A CG 1 ATOM 316 O OD1 . ASP A 1 45 ? -1.493 -8.233 -10.267 1.00 89.72 ? 45 ASP A OD1 1 ATOM 317 O OD2 . ASP A 1 45 ? -2.514 -6.323 -10.697 1.00 96.12 ? 45 ASP A OD2 1 ATOM 318 N N . ALA A 1 46 ? -4.143 -6.772 -5.671 1.00 86.99 ? 46 ALA A N 1 ATOM 319 C CA . ALA A 1 46 ? -4.191 -6.531 -4.236 1.00 75.59 ? 46 ALA A CA 1 ATOM 320 C C . ALA A 1 46 ? -4.014 -7.828 -3.481 1.00 73.02 ? 46 ALA A C 1 ATOM 321 O O . ALA A 1 46 ? -4.451 -8.883 -3.944 1.00 76.74 ? 46 ALA A O 1 ATOM 322 C CB . ALA A 1 46 ? -5.501 -5.869 -3.860 1.00 77.97 ? 46 ALA A CB 1 ATOM 323 N N . PRO A 1 47 ? -3.338 -7.770 -2.330 1.00 71.48 ? 47 PRO A N 1 ATOM 324 C CA . PRO A 1 47 ? -3.159 -8.991 -1.534 1.00 74.58 ? 47 PRO A CA 1 ATOM 325 C C . PRO A 1 47 ? -4.378 -9.275 -0.638 1.00 76.47 ? 47 PRO A C 1 ATOM 326 O O . PRO A 1 47 ? -4.440 -10.303 0.033 1.00 74.82 ? 47 PRO A O 1 ATOM 327 C CB . PRO A 1 47 ? -1.919 -8.677 -0.699 1.00 74.06 ? 47 PRO A CB 1 ATOM 328 C CG . PRO A 1 47 ? -1.991 -7.198 -0.501 1.00 69.20 ? 47 PRO A CG 1 ATOM 329 C CD . PRO A 1 47 ? -2.605 -6.625 -1.765 1.00 70.59 ? 47 PRO A CD 1 ATOM 330 N N . CYS A 1 48 ? -5.334 -8.354 -0.632 1.00 73.16 ? 48 CYS A N 1 ATOM 331 C CA . CYS A 1 48 ? -6.575 -8.526 0.105 1.00 71.22 ? 48 CYS A CA 1 ATOM 332 C C . CYS A 1 48 ? -7.751 -8.362 -0.824 1.00 69.53 ? 48 CYS A C 1 ATOM 333 O O . CYS A 1 48 ? -7.606 -7.816 -1.914 1.00 68.40 ? 48 CYS A O 1 ATOM 334 C CB . CYS A 1 48 ? -6.674 -7.507 1.228 1.00 74.34 ? 48 CYS A CB 1 ATOM 335 S SG . CYS A 1 48 ? -5.263 -7.517 2.303 1.00 84.03 ? 48 CYS A SG 1 ATOM 336 N N . PRO A 1 49 ? -8.927 -8.827 -0.398 1.00 69.79 ? 49 PRO A N 1 ATOM 337 C CA . PRO A 1 49 ? -10.163 -8.458 -1.099 1.00 67.99 ? 49 PRO A CA 1 ATOM 338 C C . PRO A 1 49 ? -10.343 -6.955 -1.090 1.00 64.06 ? 49 PRO A C 1 ATOM 339 O O . PRO A 1 49 ? -10.268 -6.312 -0.033 1.00 67.97 ? 49 PRO A O 1 ATOM 340 C CB . PRO A 1 49 ? -11.256 -9.147 -0.291 1.00 65.48 ? 49 PRO A CB 1 ATOM 341 C CG . PRO A 1 49 ? -10.617 -9.469 1.033 1.00 71.39 ? 49 PRO A CG 1 ATOM 342 C CD . PRO A 1 49 ? -9.177 -9.737 0.726 1.00 71.53 ? 49 PRO A CD 1 ATOM 343 N N . ASP A 1 50 ? -10.559 -6.404 -2.274 1.00 59.21 ? 50 ASP A N 1 ATOM 344 C CA . ASP A 1 50 ? -10.517 -4.965 -2.468 1.00 62.92 ? 50 ASP A CA 1 ATOM 345 C C . ASP A 1 50 ? -11.653 -4.451 -3.358 1.00 64.47 ? 50 ASP A C 1 ATOM 346 O O . ASP A 1 50 ? -11.576 -3.339 -3.860 1.00 59.91 ? 50 ASP A O 1 ATOM 347 C CB . ASP A 1 50 ? -9.184 -4.562 -3.100 1.00 60.54 ? 50 ASP A CB 1 ATOM 348 C CG . ASP A 1 50 ? -9.083 -4.994 -4.573 1.00 69.14 ? 50 ASP A CG 1 ATOM 349 O OD1 . ASP A 1 50 ? -9.725 -6.009 -4.957 1.00 64.24 ? 50 ASP A OD1 1 ATOM 350 O OD2 . ASP A 1 50 ? -8.363 -4.318 -5.345 1.00 69.75 ? 50 ASP A OD2 1 ATOM 351 N N . GLY A 1 51 ? -12.685 -5.258 -3.586 1.00 61.62 ? 51 GLY A N 1 ATOM 352 C CA . GLY A 1 51 ? -13.775 -4.835 -4.443 1.00 58.05 ? 51 GLY A CA 1 ATOM 353 C C . GLY A 1 51 ? -15.102 -4.741 -3.710 1.00 58.37 ? 51 GLY A C 1 ATOM 354 O O . GLY A 1 51 ? -15.376 -5.522 -2.789 1.00 58.36 ? 51 GLY A O 1 ATOM 355 N N . VAL A 1 52 ? -15.936 -3.790 -4.119 1.00 55.16 ? 52 VAL A N 1 ATOM 356 C CA . VAL A 1 52 ? -17.272 -3.680 -3.553 1.00 58.23 ? 52 VAL A CA 1 ATOM 357 C C . VAL A 1 52 ? -18.360 -4.209 -4.505 1.00 58.96 ? 52 VAL A C 1 ATOM 358 O O . VAL A 1 52 ? -18.675 -3.588 -5.540 1.00 55.93 ? 52 VAL A O 1 ATOM 359 C CB . VAL A 1 52 ? -17.578 -2.241 -3.169 1.00 56.85 ? 52 VAL A CB 1 ATOM 360 C CG1 . VAL A 1 52 ? -18.820 -2.187 -2.301 1.00 56.51 ? 52 VAL A CG1 1 ATOM 361 C CG2 . VAL A 1 52 ? -16.399 -1.655 -2.424 1.00 57.38 ? 52 VAL A CG2 1 ATOM 362 N N . PHE A 1 53 ? -18.920 -5.364 -4.127 1.00 59.18 ? 53 PHE A N 1 ATOM 363 C CA . PHE A 1 53 ? -19.955 -6.073 -4.890 1.00 59.35 ? 53 PHE A CA 1 ATOM 364 C C . PHE A 1 53 ? -21.278 -6.211 -4.106 1.00 64.88 ? 53 PHE A C 1 ATOM 365 O O . PHE A 1 53 ? -21.291 -6.212 -2.863 1.00 61.95 ? 53 PHE A O 1 ATOM 366 C CB . PHE A 1 53 ? -19.515 -7.507 -5.259 1.00 57.34 ? 53 PHE A CB 1 ATOM 367 C CG . PHE A 1 53 ? -18.145 -7.637 -5.891 1.00 56.59 ? 53 PHE A CG 1 ATOM 368 C CD1 . PHE A 1 53 ? -16.985 -7.564 -5.117 1.00 58.66 ? 53 PHE A CD1 1 ATOM 369 C CD2 . PHE A 1 53 ? -18.021 -7.938 -7.251 1.00 60.99 ? 53 PHE A CD2 1 ATOM 370 C CE1 . PHE A 1 53 ? -15.725 -7.723 -5.698 1.00 63.26 ? 53 PHE A CE1 1 ATOM 371 C CE2 . PHE A 1 53 ? -16.760 -8.111 -7.843 1.00 59.68 ? 53 PHE A CE2 1 ATOM 372 C CZ . PHE A 1 53 ? -15.616 -8.004 -7.064 1.00 64.81 ? 53 PHE A CZ 1 ATOM 373 N N . ARG A 1 54 ? -22.384 -6.392 -4.825 1.00 63.33 ? 54 ARG A N 1 ATOM 374 C CA . ARG A 1 54 ? -23.599 -6.929 -4.205 1.00 61.78 ? 54 ARG A CA 1 ATOM 375 C C . ARG A 1 54 ? -23.885 -8.336 -4.739 1.00 64.71 ? 54 ARG A C 1 ATOM 376 O O . ARG A 1 54 ? -23.552 -8.670 -5.894 1.00 60.33 ? 54 ARG A O 1 ATOM 377 C CB . ARG A 1 54 ? -24.801 -6.017 -4.445 1.00 55.45 ? 54 ARG A CB 1 ATOM 378 C CG . ARG A 1 54 ? -25.023 -5.752 -5.896 1.00 59.32 ? 54 ARG A CG 1 ATOM 379 C CD . ARG A 1 54 ? -26.030 -4.677 -6.104 1.00 58.92 ? 54 ARG A CD 1 ATOM 380 N NE . ARG A 1 54 ? -27.346 -5.149 -5.738 1.00 68.24 ? 54 ARG A NE 1 ATOM 381 C CZ . ARG A 1 54 ? -28.371 -5.187 -6.569 1.00 65.93 ? 54 ARG A CZ 1 ATOM 382 N NH1 . ARG A 1 54 ? -28.213 -4.777 -7.823 1.00 69.63 ? 54 ARG A NH1 1 ATOM 383 N NH2 . ARG A 1 54 ? -29.541 -5.626 -6.139 1.00 57.97 ? 54 ARG A NH2 1 ATOM 384 N N . TYR A 1 55 ? -24.492 -9.162 -3.888 1.00 63.93 ? 55 TYR A N 1 ATOM 385 C CA . TYR A 1 55 ? -24.846 -10.525 -4.264 1.00 59.51 ? 55 TYR A CA 1 ATOM 386 C C . TYR A 1 55 ? -25.874 -10.557 -5.371 1.00 62.83 ? 55 TYR A C 1 ATOM 387 O O . TYR A 1 55 ? -26.535 -9.547 -5.664 1.00 56.95 ? 55 TYR A O 1 ATOM 388 C CB . TYR A 1 55 ? -25.382 -11.286 -3.079 1.00 59.52 ? 55 TYR A CB 1 ATOM 389 C CG . TYR A 1 55 ? -24.340 -11.569 -2.051 1.00 59.41 ? 55 TYR A CG 1 ATOM 390 C CD1 . TYR A 1 55 ? -23.483 -12.647 -2.201 1.00 58.50 ? 55 TYR A CD1 1 ATOM 391 C CD2 . TYR A 1 55 ? -24.213 -10.766 -0.917 1.00 60.38 ? 55 TYR A CD2 1 ATOM 392 C CE1 . TYR A 1 55 ? -22.516 -12.926 -1.258 1.00 60.70 ? 55 TYR A CE1 1 ATOM 393 C CE2 . TYR A 1 55 ? -23.250 -11.039 0.037 1.00 59.71 ? 55 TYR A CE2 1 ATOM 394 C CZ . TYR A 1 55 ? -22.399 -12.123 -0.142 1.00 65.01 ? 55 TYR A CZ 1 ATOM 395 O OH . TYR A 1 55 ? -21.427 -12.420 0.794 1.00 73.22 ? 55 TYR A OH 1 ATOM 396 N N . ASN A 1 56 ? -26.000 -11.726 -5.988 1.00 65.55 ? 56 ASN A N 1 ATOM 397 C CA . ASN A 1 56 ? -26.835 -11.859 -7.174 1.00 70.44 ? 56 ASN A CA 1 ATOM 398 C C . ASN A 1 56 ? -28.302 -12.203 -6.845 1.00 73.36 ? 56 ASN A C 1 ATOM 399 O O . ASN A 1 56 ? -29.208 -11.891 -7.628 1.00 71.23 ? 56 ASN A O 1 ATOM 400 C CB . ASN A 1 56 ? -26.189 -12.867 -8.122 1.00 65.11 ? 56 ASN A CB 1 ATOM 401 C CG . ASN A 1 56 ? -25.076 -12.230 -8.951 1.00 76.95 ? 56 ASN A CG 1 ATOM 402 O OD1 . ASN A 1 56 ? -25.321 -11.687 -10.042 1.00 73.85 ? 56 ASN A OD1 1 ATOM 403 N ND2 . ASN A 1 56 ? -23.857 -12.222 -8.401 1.00 80.45 ? 56 ASN A ND2 1 ATOM 404 N N . SER A 1 57 ? -28.537 -12.796 -5.674 1.00 73.14 ? 57 SER A N 1 ATOM 405 C CA . SER A 1 57 ? -29.886 -12.832 -5.097 1.00 76.71 ? 57 SER A CA 1 ATOM 406 C C . SER A 1 57 ? -29.874 -12.457 -3.609 1.00 77.09 ? 57 SER A C 1 ATOM 407 O O . SER A 1 57 ? -28.839 -12.547 -2.949 1.00 75.66 ? 57 SER A O 1 ATOM 408 C CB . SER A 1 57 ? -30.517 -14.207 -5.273 1.00 78.04 ? 57 SER A CB 1 ATOM 409 O OG . SER A 1 57 ? -31.866 -14.174 -4.843 1.00 82.67 ? 57 SER A OG 1 ATOM 410 N N . ASP A 1 58 ? -31.018 -12.037 -3.073 1.00 78.88 ? 58 ASP A N 1 ATOM 411 C CA . ASP A 1 58 ? -31.109 -11.822 -1.626 1.00 80.70 ? 58 ASP A CA 1 ATOM 412 C C . ASP A 1 58 ? -31.413 -13.130 -0.876 1.00 82.77 ? 58 ASP A C 1 ATOM 413 O O . ASP A 1 58 ? -31.636 -13.131 0.328 1.00 83.81 ? 58 ASP A O 1 ATOM 414 C CB . ASP A 1 58 ? -32.165 -10.765 -1.291 1.00 79.29 ? 58 ASP A CB 1 ATOM 415 C CG . ASP A 1 58 ? -33.503 -11.064 -1.915 1.00 80.30 ? 58 ASP A CG 1 ATOM 416 O OD1 . ASP A 1 58 ? -33.807 -12.256 -2.134 1.00 80.58 ? 58 ASP A OD1 1 ATOM 417 O OD2 . ASP A 1 58 ? -34.250 -10.100 -2.195 1.00 81.39 ? 58 ASP A OD2 1 ATOM 418 N N . VAL A 1 59 ? -31.407 -14.248 -1.586 1.00 81.81 ? 59 VAL A N 1 ATOM 419 C CA . VAL A 1 59 ? -31.732 -15.509 -0.957 1.00 81.25 ? 59 VAL A CA 1 ATOM 420 C C . VAL A 1 59 ? -30.476 -16.239 -0.488 1.00 88.95 ? 59 VAL A C 1 ATOM 421 O O . VAL A 1 59 ? -30.533 -17.409 -0.105 1.00 97.05 ? 59 VAL A O 1 ATOM 422 C CB . VAL A 1 59 ? -32.527 -16.409 -1.910 1.00 84.41 ? 59 VAL A CB 1 ATOM 423 C CG1 . VAL A 1 59 ? -33.824 -15.718 -2.312 1.00 80.55 ? 59 VAL A CG1 1 ATOM 424 C CG2 . VAL A 1 59 ? -31.686 -16.758 -3.135 1.00 89.81 ? 59 VAL A CG2 1 ATOM 425 N N . GLY A 1 60 ? -29.341 -15.549 -0.510 1.00 86.46 ? 60 GLY A N 1 ATOM 426 C CA . GLY A 1 60 ? -28.100 -16.125 -0.016 1.00 84.81 ? 60 GLY A CA 1 ATOM 427 C C . GLY A 1 60 ? -27.615 -15.363 1.211 1.00 89.59 ? 60 GLY A C 1 ATOM 428 O O . GLY A 1 60 ? -28.423 -14.877 2.005 1.00 94.06 ? 60 GLY A O 1 ATOM 429 N N . PRO A 1 61 ? -26.290 -15.235 1.366 1.00 82.66 ? 61 PRO A N 1 ATOM 430 C CA . PRO A 1 61 ? -25.661 -14.584 2.527 1.00 81.72 ? 61 PRO A CA 1 ATOM 431 C C . PRO A 1 61 ? -26.030 -13.102 2.744 1.00 78.44 ? 61 PRO A C 1 ATOM 432 O O . PRO A 1 61 ? -26.360 -12.388 1.785 1.00 73.91 ? 61 PRO A O 1 ATOM 433 C CB . PRO A 1 61 ? -24.164 -14.716 2.222 1.00 81.60 ? 61 PRO A CB 1 ATOM 434 C CG . PRO A 1 61 ? -24.066 -15.928 1.339 1.00 80.38 ? 61 PRO A CG 1 ATOM 435 C CD . PRO A 1 61 ? -25.303 -15.890 0.489 1.00 80.48 ? 61 PRO A CD 1 ATOM 436 N N . SER A 1 62 ? -25.970 -12.662 4.007 1.00 80.37 ? 62 SER A N 1 ATOM 437 C CA . SER A 1 62 ? -26.124 -11.248 4.366 1.00 75.59 ? 62 SER A CA 1 ATOM 438 C C . SER A 1 62 ? -24.898 -10.491 3.885 1.00 75.07 ? 62 SER A C 1 ATOM 439 O O . SER A 1 62 ? -23.840 -11.092 3.661 1.00 74.88 ? 62 SER A O 1 ATOM 440 C CB . SER A 1 62 ? -26.271 -11.055 5.879 1.00 70.23 ? 62 SER A CB 1 ATOM 441 O OG . SER A 1 62 ? -26.940 -12.147 6.479 1.00 81.09 ? 62 SER A OG 1 ATOM 442 N N . GLY A 1 63 ? -25.023 -9.176 3.752 1.00 70.99 ? 63 GLY A N 1 ATOM 443 C CA . GLY A 1 63 ? -23.897 -8.363 3.333 1.00 67.79 ? 63 GLY A CA 1 ATOM 444 C C . GLY A 1 63 ? -22.798 -8.238 4.374 1.00 72.51 ? 63 GLY A C 1 ATOM 445 O O . GLY A 1 63 ? -22.859 -8.828 5.467 1.00 67.92 ? 63 GLY A O 1 ATOM 446 N N . THR A 1 64 ? -21.771 -7.474 4.017 1.00 65.28 ? 64 THR A N 1 ATOM 447 C CA . THR A 1 64 ? -20.701 -7.177 4.943 1.00 64.18 ? 64 THR A CA 1 ATOM 448 C C . THR A 1 64 ? -21.085 -5.859 5.609 1.00 63.15 ? 64 THR A C 1 ATOM 449 O O . THR A 1 64 ? -21.360 -4.858 4.922 1.00 64.03 ? 64 THR A O 1 ATOM 450 C CB . THR A 1 64 ? -19.303 -7.077 4.239 1.00 63.40 ? 64 THR A CB 1 ATOM 451 O OG1 . THR A 1 64 ? -19.166 -8.101 3.239 1.00 63.14 ? 64 THR A OG1 1 ATOM 452 C CG2 . THR A 1 64 ? -18.191 -7.242 5.243 1.00 61.30 ? 64 THR A CG2 1 ATOM 453 N N . PRO A 1 65 ? -21.148 -5.863 6.947 1.00 58.78 ? 65 PRO A N 1 ATOM 454 C CA . PRO A 1 65 ? -21.472 -4.665 7.723 1.00 62.88 ? 65 PRO A CA 1 ATOM 455 C C . PRO A 1 65 ? -20.524 -3.505 7.425 1.00 63.07 ? 65 PRO A C 1 ATOM 456 O O . PRO A 1 65 ? -19.304 -3.660 7.486 1.00 65.53 ? 65 PRO A O 1 ATOM 457 C CB . PRO A 1 65 ? -21.315 -5.136 9.171 1.00 63.03 ? 65 PRO A CB 1 ATOM 458 C CG . PRO A 1 65 ? -21.502 -6.599 9.118 1.00 56.90 ? 65 PRO A CG 1 ATOM 459 C CD . PRO A 1 65 ? -20.925 -7.034 7.811 1.00 60.28 ? 65 PRO A CD 1 ATOM 460 N N . VAL A 1 66 ? -21.079 -2.359 7.069 1.00 62.04 ? 66 VAL A N 1 ATOM 461 C CA . VAL A 1 66 ? -20.264 -1.177 6.892 1.00 62.43 ? 66 VAL A CA 1 ATOM 462 C C . VAL A 1 66 ? -20.545 -0.276 8.062 1.00 61.81 ? 66 VAL A C 1 ATOM 463 O O . VAL A 1 66 ? -21.444 -0.547 8.846 1.00 69.19 ? 66 VAL A O 1 ATOM 464 C CB . VAL A 1 66 ? -20.572 -0.424 5.588 1.00 65.04 ? 66 VAL A CB 1 ATOM 465 C CG1 . VAL A 1 66 ? -20.585 -1.385 4.386 1.00 63.71 ? 66 VAL A CG1 1 ATOM 466 C CG2 . VAL A 1 66 ? -21.901 0.312 5.724 1.00 65.44 ? 66 VAL A CG2 1 ATOM 467 N N . ARG A 1 67 ? -19.770 0.788 8.188 1.00 61.99 ? 67 ARG A N 1 ATOM 468 C CA . ARG A 1 67 ? -20.058 1.839 9.145 1.00 62.80 ? 67 ARG A CA 1 ATOM 469 C C . ARG A 1 67 ? -19.716 3.121 8.427 1.00 63.18 ? 67 ARG A C 1 ATOM 470 O O . ARG A 1 67 ? -19.019 3.083 7.410 1.00 64.32 ? 67 ARG A O 1 ATOM 471 C CB . ARG A 1 67 ? -19.262 1.674 10.446 1.00 67.07 ? 67 ARG A CB 1 ATOM 472 C CG . ARG A 1 67 ? -17.795 2.026 10.351 1.00 73.13 ? 67 ARG A CG 1 ATOM 473 C CD . ARG A 1 67 ? -17.048 1.641 11.625 1.00 76.98 ? 67 ARG A CD 1 ATOM 474 N NE . ARG A 1 67 ? -15.663 2.104 11.598 1.00 80.45 ? 67 ARG A NE 1 ATOM 475 C CZ . ARG A 1 67 ? -15.290 3.357 11.868 1.00 88.70 ? 67 ARG A CZ 1 ATOM 476 N NH1 . ARG A 1 67 ? -16.206 4.273 12.193 1.00 85.18 ? 67 ARG A NH1 1 ATOM 477 N NH2 . ARG A 1 67 ? -14.002 3.699 11.819 1.00 81.57 ? 67 ARG A NH2 1 ATOM 478 N N . PHE A 1 68 ? -20.205 4.248 8.929 1.00 58.58 ? 68 PHE A N 1 ATOM 479 C CA . PHE A 1 68 ? -20.055 5.498 8.206 1.00 58.77 ? 68 PHE A CA 1 ATOM 480 C C . PHE A 1 68 ? -19.310 6.512 9.070 1.00 65.05 ? 68 PHE A C 1 ATOM 481 O O . PHE A 1 68 ? -19.344 6.446 10.305 1.00 67.87 ? 68 PHE A O 1 ATOM 482 C CB . PHE A 1 68 ? -21.424 6.026 7.778 1.00 62.52 ? 68 PHE A CB 1 ATOM 483 C CG . PHE A 1 68 ? -22.203 5.069 6.892 1.00 62.25 ? 68 PHE A CG 1 ATOM 484 C CD1 . PHE A 1 68 ? -23.029 4.096 7.444 1.00 64.36 ? 68 PHE A CD1 1 ATOM 485 C CD2 . PHE A 1 68 ? -22.121 5.153 5.513 1.00 57.98 ? 68 PHE A CD2 1 ATOM 486 C CE1 . PHE A 1 68 ? -23.749 3.219 6.638 1.00 60.35 ? 68 PHE A CE1 1 ATOM 487 C CE2 . PHE A 1 68 ? -22.839 4.280 4.705 1.00 61.77 ? 68 PHE A CE2 1 ATOM 488 C CZ . PHE A 1 68 ? -23.648 3.313 5.267 1.00 63.10 ? 68 PHE A CZ 1 ATOM 489 N N . ILE A 1 69 ? -18.615 7.437 8.416 1.00 66.02 ? 69 ILE A N 1 ATOM 490 C CA . ILE A 1 69 ? -17.705 8.348 9.106 1.00 61.76 ? 69 ILE A CA 1 ATOM 491 C C . ILE A 1 69 ? -17.874 9.745 8.569 1.00 57.13 ? 69 ILE A C 1 ATOM 492 O O . ILE A 1 69 ? -17.239 10.120 7.592 1.00 61.73 ? 69 ILE A O 1 ATOM 493 C CB . ILE A 1 69 ? -16.208 7.922 8.944 1.00 65.22 ? 69 ILE A CB 1 ATOM 494 C CG1 . ILE A 1 69 ? -15.948 6.561 9.597 1.00 61.85 ? 69 ILE A CG1 1 ATOM 495 C CG2 . ILE A 1 69 ? -15.272 8.980 9.516 1.00 55.80 ? 69 ILE A CG2 1 ATOM 496 C CD1 . ILE A 1 69 ? -16.022 5.407 8.640 1.00 59.36 ? 69 ILE A CD1 1 ATOM 497 N N . PRO A 1 70 ? -18.744 10.532 9.201 1.00 67.22 ? 70 PRO A N 1 ATOM 498 C CA . PRO A 1 70 ? -18.978 11.888 8.678 1.00 70.04 ? 70 PRO A CA 1 ATOM 499 C C . PRO A 1 70 ? -17.831 12.860 8.925 1.00 74.16 ? 70 PRO A C 1 ATOM 500 O O . PRO A 1 70 ? -16.966 12.597 9.761 1.00 70.82 ? 70 PRO A O 1 ATOM 501 C CB . PRO A 1 70 ? -20.237 12.342 9.423 1.00 72.20 ? 70 PRO A CB 1 ATOM 502 C CG . PRO A 1 70 ? -20.351 11.412 10.615 1.00 76.89 ? 70 PRO A CG 1 ATOM 503 C CD . PRO A 1 70 ? -19.763 10.112 10.180 1.00 67.69 ? 70 PRO A CD 1 ATOM 504 N N . LEU A 1 71 ? -17.826 13.962 8.173 1.00 78.05 ? 71 LEU A N 1 ATOM 505 C CA . LEU A 1 71 ? -16.957 15.096 8.467 1.00 80.68 ? 71 LEU A CA 1 ATOM 506 C C . LEU A 1 71 ? -17.508 15.808 9.697 1.00 87.85 ? 71 LEU A C 1 ATOM 507 O O . LEU A 1 71 ? -16.776 16.428 10.470 1.00 87.91 ? 71 LEU A O 1 ATOM 508 C CB . LEU A 1 71 ? -16.877 16.044 7.272 1.00 81.91 ? 71 LEU A CB 1 ATOM 509 C CG . LEU A 1 71 ? -16.307 15.387 6.006 1.00 82.63 ? 71 LEU A CG 1 ATOM 510 C CD1 . LEU A 1 71 ? -16.020 16.415 4.886 1.00 63.77 ? 71 LEU A CD1 1 ATOM 511 C CD2 . LEU A 1 71 ? -15.056 14.523 6.347 1.00 76.69 ? 71 LEU A CD2 1 ATOM 512 N N . SER A 1 72 ? -18.822 15.664 9.850 1.00 94.20 ? 72 SER A N 1 ATOM 513 C CA . SER A 1 72 ? -19.639 16.148 10.938 1.00 94.39 ? 72 SER A CA 1 ATOM 514 C C . SER A 1 72 ? -19.471 15.228 12.108 1.00 92.68 ? 72 SER A C 1 ATOM 515 O O . SER A 1 72 ? -18.508 14.493 12.208 1.00 88.68 ? 72 SER A O 1 ATOM 516 C CB . SER A 1 72 ? -21.111 16.132 10.498 1.00 91.53 ? 72 SER A CB 1 ATOM 517 O OG . SER A 1 72 ? -22.026 15.876 11.559 1.00 97.19 ? 72 SER A OG 1 ATOM 518 N N . THR A 1 73 ? -20.414 15.355 13.035 1.00 93.25 ? 73 THR A N 1 ATOM 519 C CA . THR A 1 73 ? -20.540 14.461 14.166 1.00 94.08 ? 73 THR A CA 1 ATOM 520 C C . THR A 1 73 ? -21.633 13.443 13.826 1.00 92.68 ? 73 THR A C 1 ATOM 521 O O . THR A 1 73 ? -21.543 12.279 14.201 1.00 92.69 ? 73 THR A O 1 ATOM 522 C CB . THR A 1 73 ? -20.891 15.236 15.466 1.00 100.60 ? 73 THR A CB 1 ATOM 523 O OG1 . THR A 1 73 ? -22.311 15.394 15.567 1.00 107.46 ? 73 THR A OG1 1 ATOM 524 C CG2 . THR A 1 73 ? -20.236 16.633 15.474 1.00 92.58 ? 73 THR A CG2 1 ATOM 525 N N . ASN A 1 74 ? -22.642 13.893 13.076 1.00 91.64 ? 74 ASN A N 1 ATOM 526 C CA . ASN A 1 74 ? -23.783 13.054 12.670 1.00 91.16 ? 74 ASN A CA 1 ATOM 527 C C . ASN A 1 74 ? -23.880 12.740 11.166 1.00 84.44 ? 74 ASN A C 1 ATOM 528 O O . ASN A 1 74 ? -23.423 13.506 10.315 1.00 83.16 ? 74 ASN A O 1 ATOM 529 C CB . ASN A 1 74 ? -25.090 13.717 13.105 1.00 90.87 ? 74 ASN A CB 1 ATOM 530 C CG . ASN A 1 74 ? -25.280 13.712 14.610 1.00 96.43 ? 74 ASN A CG 1 ATOM 531 O OD1 . ASN A 1 74 ? -24.899 12.764 15.307 1.00 96.12 ? 74 ASN A OD1 1 ATOM 532 N ND2 . ASN A 1 74 ? -25.870 14.785 15.123 1.00 102.96 ? 74 ASN A ND2 1 ATOM 533 N N . ILE A 1 75 ? -24.508 11.614 10.849 1.00 82.62 ? 75 ILE A N 1 ATOM 534 C CA . ILE A 1 75 ? -24.653 11.180 9.468 1.00 74.09 ? 75 ILE A CA 1 ATOM 535 C C . ILE A 1 75 ? -25.886 11.804 8.824 1.00 69.45 ? 75 ILE A C 1 ATOM 536 O O . ILE A 1 75 ? -27.005 11.457 9.177 1.00 71.49 ? 75 ILE A O 1 ATOM 537 C CB . ILE A 1 75 ? -24.742 9.648 9.396 1.00 72.74 ? 75 ILE A CB 1 ATOM 538 C CG1 . ILE A 1 75 ? -23.632 9.022 10.255 1.00 67.12 ? 75 ILE A CG1 1 ATOM 539 C CG2 . ILE A 1 75 ? -24.727 9.176 7.932 1.00 71.84 ? 75 ILE A CG2 1 ATOM 540 C CD1 . ILE A 1 75 ? -23.693 7.516 10.376 1.00 62.46 ? 75 ILE A CD1 1 ATOM 541 N N . PHE A 1 76 ? -25.665 12.721 7.883 1.00 72.07 ? 76 PHE A N 1 ATOM 542 C CA . PHE A 1 76 ? -26.735 13.437 7.169 1.00 73.58 ? 76 PHE A CA 1 ATOM 543 C C . PHE A 1 76 ? -26.860 13.071 5.696 1.00 71.98 ? 76 PHE A C 1 ATOM 544 O O . PHE A 1 76 ? -25.942 12.520 5.113 1.00 73.48 ? 76 PHE A O 1 ATOM 545 C CB . PHE A 1 76 ? -26.508 14.944 7.247 1.00 77.38 ? 76 PHE A CB 1 ATOM 546 C CG . PHE A 1 76 ? -26.729 15.511 8.600 1.00 83.87 ? 76 PHE A CG 1 ATOM 547 C CD1 . PHE A 1 76 ? -27.679 14.958 9.440 1.00 82.10 ? 76 PHE A CD1 1 ATOM 548 C CD2 . PHE A 1 76 ? -25.970 16.577 9.050 1.00 85.42 ? 76 PHE A CD2 1 ATOM 549 C CE1 . PHE A 1 76 ? -27.883 15.469 10.699 1.00 85.19 ? 76 PHE A CE1 1 ATOM 550 C CE2 . PHE A 1 76 ? -26.171 17.097 10.303 1.00 86.57 ? 76 PHE A CE2 1 ATOM 551 C CZ . PHE A 1 76 ? -27.130 16.542 11.132 1.00 88.50 ? 76 PHE A CZ 1 ATOM 552 N N . GLU A 1 77 ? -27.988 13.407 5.080 1.00 72.56 ? 77 GLU A N 1 ATOM 553 C CA . GLU A 1 77 ? -28.081 13.308 3.630 1.00 69.73 ? 77 GLU A CA 1 ATOM 554 C C . GLU A 1 77 ? -27.136 14.325 3.012 1.00 68.12 ? 77 GLU A C 1 ATOM 555 O O . GLU A 1 77 ? -26.799 15.328 3.640 1.00 67.79 ? 77 GLU A O 1 ATOM 556 C CB . GLU A 1 77 ? -29.515 13.546 3.131 1.00 68.11 ? 77 GLU A CB 1 ATOM 557 C CG . GLU A 1 77 ? -30.501 12.427 3.447 1.00 70.63 ? 77 GLU A CG 1 ATOM 558 C CD . GLU A 1 77 ? -31.932 12.765 3.015 1.00 74.70 ? 77 GLU A CD 1 ATOM 559 O OE1 . GLU A 1 77 ? -32.135 13.815 2.343 1.00 71.05 ? 77 GLU A OE1 1 ATOM 560 O OE2 . GLU A 1 77 ? -32.850 11.987 3.370 1.00 64.81 ? 77 GLU A OE2 1 ATOM 561 N N . ASP A 1 78 ? -26.706 14.042 1.787 1.00 67.04 ? 78 ASP A N 1 ATOM 562 C CA . ASP A 1 78 ? -25.995 14.999 0.949 1.00 68.57 ? 78 ASP A CA 1 ATOM 563 C C . ASP A 1 78 ? -24.795 15.649 1.631 1.00 69.61 ? 78 ASP A C 1 ATOM 564 O O . ASP A 1 78 ? -24.540 16.849 1.461 1.00 71.49 ? 78 ASP A O 1 ATOM 565 C CB . ASP A 1 78 ? -26.952 16.086 0.464 1.00 68.56 ? 78 ASP A CB 1 ATOM 566 C CG . ASP A 1 78 ? -26.436 16.783 -0.773 1.00 80.27 ? 78 ASP A CG 1 ATOM 567 O OD1 . ASP A 1 78 ? -25.448 16.271 -1.354 1.00 80.22 ? 78 ASP A OD1 1 ATOM 568 O OD2 . ASP A 1 78 ? -27.010 17.822 -1.173 1.00 88.09 ? 78 ASP A OD2 1 ATOM 569 N N . GLN A 1 79 ? -24.053 14.850 2.390 1.00 66.73 ? 79 GLN A N 1 ATOM 570 C CA . GLN A 1 79 ? -22.833 15.339 3.043 1.00 73.42 ? 79 GLN A CA 1 ATOM 571 C C . GLN A 1 79 ? -21.711 14.307 2.955 1.00 61.14 ? 79 GLN A C 1 ATOM 572 O O . GLN A 1 79 ? -21.939 13.113 3.203 1.00 63.07 ? 79 GLN A O 1 ATOM 573 C CB . GLN A 1 79 ? -23.109 15.693 4.510 1.00 73.60 ? 79 GLN A CB 1 ATOM 574 C CG . GLN A 1 79 ? -23.755 17.073 4.729 1.00 75.95 ? 79 GLN A CG 1 ATOM 575 C CD . GLN A 1 79 ? -24.216 17.260 6.176 1.00 85.96 ? 79 GLN A CD 1 ATOM 576 O OE1 . GLN A 1 79 ? -23.728 16.571 7.091 1.00 79.59 ? 79 GLN A OE1 1 ATOM 577 N NE2 . GLN A 1 79 ? -25.170 18.176 6.388 1.00 80.70 ? 79 GLN A NE2 1 ATOM 578 N N . LEU A 1 80 ? -20.509 14.765 2.607 1.00 57.87 ? 80 LEU A N 1 ATOM 579 C CA . LEU A 1 80 ? -19.379 13.852 2.384 1.00 56.51 ? 80 LEU A CA 1 ATOM 580 C C . LEU A 1 80 ? -19.173 12.939 3.577 1.00 55.41 ? 80 LEU A C 1 ATOM 581 O O . LEU A 1 80 ? -19.370 13.332 4.728 1.00 61.82 ? 80 LEU A O 1 ATOM 582 C CB . LEU A 1 80 ? -18.107 14.630 2.084 1.00 51.34 ? 80 LEU A CB 1 ATOM 583 C CG . LEU A 1 80 ? -18.276 15.555 0.877 1.00 57.82 ? 80 LEU A CG 1 ATOM 584 C CD1 . LEU A 1 80 ? -17.111 16.531 0.731 1.00 49.21 ? 80 LEU A CD1 1 ATOM 585 C CD2 . LEU A 1 80 ? -18.435 14.711 -0.384 1.00 54.02 ? 80 LEU A CD2 1 ATOM 586 N N . LEU A 1 81 ? -18.822 11.698 3.301 1.00 55.53 ? 81 LEU A N 1 ATOM 587 C CA . LEU A 1 81 ? -18.539 10.763 4.372 1.00 58.03 ? 81 LEU A CA 1 ATOM 588 C C . LEU A 1 81 ? -17.693 9.602 3.860 1.00 55.80 ? 81 LEU A C 1 ATOM 589 O O . LEU A 1 81 ? -17.552 9.384 2.664 1.00 59.86 ? 81 LEU A O 1 ATOM 590 C CB . LEU A 1 81 ? -19.844 10.262 5.017 1.00 60.45 ? 81 LEU A CB 1 ATOM 591 C CG . LEU A 1 81 ? -20.902 9.452 4.235 1.00 66.27 ? 81 LEU A CG 1 ATOM 592 C CD1 . LEU A 1 81 ? -20.477 7.988 4.112 1.00 58.52 ? 81 LEU A CD1 1 ATOM 593 C CD2 . LEU A 1 81 ? -22.313 9.538 4.865 1.00 48.62 ? 81 LEU A CD2 1 ATOM 594 N N . ASN A 1 82 ? -17.116 8.855 4.780 1.00 59.15 ? 82 ASN A N 1 ATOM 595 C CA . ASN A 1 82 ? -16.373 7.679 4.410 1.00 58.26 ? 82 ASN A CA 1 ATOM 596 C C . ASN A 1 82 ? -17.210 6.483 4.739 1.00 56.64 ? 82 ASN A C 1 ATOM 597 O O . ASN A 1 82 ? -18.035 6.532 5.654 1.00 58.48 ? 82 ASN A O 1 ATOM 598 C CB . ASN A 1 82 ? -15.046 7.624 5.142 1.00 55.52 ? 82 ASN A CB 1 ATOM 599 C CG . ASN A 1 82 ? -14.241 8.867 4.937 1.00 60.95 ? 82 ASN A CG 1 ATOM 600 O OD1 . ASN A 1 82 ? -13.840 9.527 5.902 1.00 60.01 ? 82 ASN A OD1 1 ATOM 601 N ND2 . ASN A 1 82 ? -14.016 9.223 3.661 1.00 57.26 ? 82 ASN A ND2 1 ATOM 602 N N . ILE A 1 83 ? -17.004 5.418 3.984 1.00 48.93 ? 83 ILE A N 1 ATOM 603 C CA . ILE A 1 83 ? -17.653 4.160 4.255 1.00 51.33 ? 83 ILE A CA 1 ATOM 604 C C . ILE A 1 83 ? -16.546 3.130 4.486 1.00 55.32 ? 83 ILE A C 1 ATOM 605 O O . ILE A 1 83 ? -15.509 3.180 3.826 1.00 57.52 ? 83 ILE A O 1 ATOM 606 C CB . ILE A 1 83 ? -18.560 3.755 3.084 1.00 53.82 ? 83 ILE A CB 1 ATOM 607 C CG1 . ILE A 1 83 ? -19.445 4.941 2.676 1.00 53.44 ? 83 ILE A CG1 1 ATOM 608 C CG2 . ILE A 1 83 ? -19.362 2.493 3.401 1.00 51.27 ? 83 ILE A CG2 1 ATOM 609 C CD1 . ILE A 1 83 ? -20.342 4.625 1.535 1.00 54.47 ? 83 ILE A CD1 1 ATOM 610 N N . GLN A 1 84 ? -16.758 2.208 5.413 1.00 49.46 ? 84 GLN A N 1 ATOM 611 C CA . GLN A 1 84 ? -15.755 1.210 5.726 1.00 56.46 ? 84 GLN A CA 1 ATOM 612 C C . GLN A 1 84 ? -16.394 -0.114 6.158 1.00 56.53 ? 84 GLN A C 1 ATOM 613 O O . GLN A 1 84 ? -17.227 -0.134 7.050 1.00 59.36 ? 84 GLN A O 1 ATOM 614 C CB . GLN A 1 84 ? -14.823 1.736 6.827 1.00 57.95 ? 84 GLN A CB 1 ATOM 615 C CG . GLN A 1 84 ? -13.841 0.714 7.362 1.00 59.59 ? 84 GLN A CG 1 ATOM 616 C CD . GLN A 1 84 ? -13.021 1.245 8.534 1.00 69.11 ? 84 GLN A CD 1 ATOM 617 O OE1 . GLN A 1 84 ? -13.398 2.225 9.187 1.00 74.06 ? 84 GLN A OE1 1 ATOM 618 N NE2 . GLN A 1 84 ? -11.884 0.610 8.790 1.00 68.28 ? 84 GLN A NE2 1 ATOM 619 N N . PHE A 1 85 ? -16.013 -1.220 5.528 1.00 56.90 ? 85 PHE A N 1 ATOM 620 C CA . PHE A 1 85 ? -16.526 -2.500 5.968 1.00 58.76 ? 85 PHE A CA 1 ATOM 621 C C . PHE A 1 85 ? -16.120 -2.683 7.413 1.00 62.80 ? 85 PHE A C 1 ATOM 622 O O . PHE A 1 85 ? -14.995 -2.385 7.776 1.00 63.18 ? 85 PHE A O 1 ATOM 623 C CB . PHE A 1 85 ? -16.006 -3.637 5.104 1.00 53.82 ? 85 PHE A CB 1 ATOM 624 C CG . PHE A 1 85 ? -16.594 -3.654 3.731 1.00 63.31 ? 85 PHE A CG 1 ATOM 625 C CD1 . PHE A 1 85 ? -17.909 -4.046 3.537 1.00 61.43 ? 85 PHE A CD1 1 ATOM 626 C CD2 . PHE A 1 85 ? -15.843 -3.261 2.632 1.00 64.24 ? 85 PHE A CD2 1 ATOM 627 C CE1 . PHE A 1 85 ? -18.454 -4.070 2.277 1.00 57.78 ? 85 PHE A CE1 1 ATOM 628 C CE2 . PHE A 1 85 ? -16.385 -3.282 1.357 1.00 60.91 ? 85 PHE A CE2 1 ATOM 629 C CZ . PHE A 1 85 ? -17.690 -3.685 1.178 1.00 62.06 ? 85 PHE A CZ 1 ATOM 630 N N . ASN A 1 86 ? -17.048 -3.136 8.247 1.00 67.88 ? 86 ASN A N 1 ATOM 631 C CA . ASN A 1 86 ? -16.768 -3.274 9.664 1.00 64.19 ? 86 ASN A CA 1 ATOM 632 C C . ASN A 1 86 ? -16.605 -4.720 10.030 1.00 73.10 ? 86 ASN A C 1 ATOM 633 O O . ASN A 1 86 ? -17.512 -5.325 10.597 1.00 81.90 ? 86 ASN A O 1 ATOM 634 C CB . ASN A 1 86 ? -17.878 -2.657 10.497 1.00 64.67 ? 86 ASN A CB 1 ATOM 635 C CG . ASN A 1 86 ? -17.431 -2.337 11.906 1.00 79.63 ? 86 ASN A CG 1 ATOM 636 O OD1 . ASN A 1 86 ? -16.600 -3.041 12.485 1.00 80.08 ? 86 ASN A OD1 1 ATOM 637 N ND2 . ASN A 1 86 ? -17.976 -1.263 12.467 1.00 82.90 ? 86 ASN A ND2 1 ATOM 638 N N . ILE A 1 87 ? -15.451 -5.280 9.706 1.00 72.58 ? 87 ILE A N 1 ATOM 639 C CA . ILE A 1 87 ? -15.207 -6.679 9.997 1.00 74.45 ? 87 ILE A CA 1 ATOM 640 C C . ILE A 1 87 ? -13.792 -6.928 10.518 1.00 76.55 ? 87 ILE A C 1 ATOM 641 O O . ILE A 1 87 ? -12.858 -6.234 10.141 1.00 75.98 ? 87 ILE A O 1 ATOM 642 C CB . ILE A 1 87 ? -15.476 -7.539 8.750 1.00 72.34 ? 87 ILE A CB 1 ATOM 643 C CG1 . ILE A 1 87 ? -15.171 -6.757 7.470 1.00 69.11 ? 87 ILE A CG1 1 ATOM 644 C CG2 . ILE A 1 87 ? -16.931 -7.946 8.726 1.00 74.38 ? 87 ILE A CG2 1 ATOM 645 C CD1 . ILE A 1 87 ? -13.711 -6.575 7.181 1.00 69.83 ? 87 ILE A CD1 1 ATOM 646 N N . PRO A 1 88 ? -13.641 -7.913 11.418 1.00 83.55 ? 88 PRO A N 1 ATOM 647 C CA . PRO A 1 88 ? -12.288 -8.333 11.790 1.00 81.36 ? 88 PRO A CA 1 ATOM 648 C C . PRO A 1 88 ? -11.544 -8.845 10.573 1.00 81.96 ? 88 PRO A C 1 ATOM 649 O O . PRO A 1 88 ? -12.099 -9.542 9.722 1.00 79.69 ? 88 PRO A O 1 ATOM 650 C CB . PRO A 1 88 ? -12.521 -9.450 12.811 1.00 75.55 ? 88 PRO A CB 1 ATOM 651 C CG . PRO A 1 88 ? -13.923 -9.917 12.547 1.00 75.09 ? 88 PRO A CG 1 ATOM 652 C CD . PRO A 1 88 ? -14.675 -8.697 12.115 1.00 79.69 ? 88 PRO A CD 1 ATOM 653 N N . THR A 1 89 ? -10.277 -8.484 10.493 1.00 85.85 ? 89 THR A N 1 ATOM 654 C CA . THR A 1 89 ? -9.485 -8.785 9.323 1.00 86.82 ? 89 THR A CA 1 ATOM 655 C C . THR A 1 89 ? -8.190 -9.518 9.731 1.00 90.30 ? 89 THR A C 1 ATOM 656 O O . THR A 1 89 ? -7.725 -9.377 10.867 1.00 87.00 ? 89 THR A O 1 ATOM 657 C CB . THR A 1 89 ? -9.136 -7.488 8.575 1.00 85.69 ? 89 THR A CB 1 ATOM 658 O OG1 . THR A 1 89 ? -8.557 -7.809 7.309 1.00 89.43 ? 89 THR A OG1 1 ATOM 659 C CG2 . THR A 1 89 ? -8.118 -6.711 9.377 1.00 80.96 ? 89 THR A CG2 1 ATOM 660 N N . VAL A 1 90 ? -7.622 -10.316 8.824 1.00 92.07 ? 90 VAL A N 1 ATOM 661 C CA . VAL A 1 90 ? -6.217 -10.708 8.954 1.00 88.91 ? 90 VAL A CA 1 ATOM 662 C C . VAL A 1 90 ? -5.432 -9.442 8.670 1.00 90.47 ? 90 VAL A C 1 ATOM 663 O O . VAL A 1 90 ? -5.886 -8.591 7.901 1.00 94.26 ? 90 VAL A O 1 ATOM 664 C CB . VAL A 1 90 ? -5.815 -11.844 7.995 1.00 91.21 ? 90 VAL A CB 1 ATOM 665 C CG1 . VAL A 1 90 ? -5.744 -11.351 6.529 1.00 84.12 ? 90 VAL A CG1 1 ATOM 666 C CG2 . VAL A 1 90 ? -4.510 -12.453 8.446 1.00 97.17 ? 90 VAL A CG2 1 ATOM 667 N N . LYS A 1 91 ? -4.266 -9.292 9.280 1.00 90.32 ? 91 LYS A N 1 ATOM 668 C CA . LYS A 1 91 ? -3.724 -7.944 9.438 1.00 93.97 ? 91 LYS A CA 1 ATOM 669 C C . LYS A 1 91 ? -2.730 -7.508 8.358 1.00 89.76 ? 91 LYS A C 1 ATOM 670 O O . LYS A 1 91 ? -2.015 -6.520 8.546 1.00 91.05 ? 91 LYS A O 1 ATOM 671 C CB . LYS A 1 91 ? -3.095 -7.777 10.832 1.00 90.43 ? 91 LYS A CB 1 ATOM 672 C CG . LYS A 1 91 ? -3.925 -8.358 11.977 1.00 95.19 ? 91 LYS A CG 1 ATOM 673 C CD . LYS A 1 91 ? -3.722 -9.853 12.168 1.00 98.36 ? 91 LYS A CD 1 ATOM 674 C CE . LYS A 1 91 ? -4.560 -10.387 13.312 1.00 88.36 ? 91 LYS A CE 1 ATOM 675 N NZ . LYS A 1 91 ? -4.308 -11.849 13.512 1.00 91.43 ? 91 LYS A NZ 1 ATOM 676 N N . LEU A 1 92 ? -2.704 -8.210 7.227 1.00 85.76 ? 92 LEU A N 1 ATOM 677 C CA . LEU A 1 92 ? -2.225 -7.573 6.004 1.00 93.75 ? 92 LEU A CA 1 ATOM 678 C C . LEU A 1 92 ? -3.325 -6.579 5.548 1.00 90.93 ? 92 LEU A C 1 ATOM 679 O O . LEU A 1 92 ? -3.082 -5.371 5.377 1.00 83.03 ? 92 LEU A O 1 ATOM 680 C CB . LEU A 1 92 ? -1.907 -8.607 4.909 1.00 92.72 ? 92 LEU A CB 1 ATOM 681 C CG . LEU A 1 92 ? -0.523 -9.279 4.839 1.00 89.98 ? 92 LEU A CG 1 ATOM 682 C CD1 . LEU A 1 92 ? -0.068 -9.772 6.215 1.00 98.78 ? 92 LEU A CD1 1 ATOM 683 C CD2 . LEU A 1 92 ? -0.489 -10.420 3.820 1.00 84.79 ? 92 LEU A CD2 1 ATOM 684 N N . CYS A 1 93 ? -4.548 -7.107 5.431 1.00 93.77 ? 93 CYS A N 1 ATOM 685 C CA . CYS A 1 93 ? -5.710 -6.412 4.858 1.00 85.03 ? 93 CYS A CA 1 ATOM 686 C C . CYS A 1 93 ? -6.366 -5.345 5.747 1.00 80.77 ? 93 CYS A C 1 ATOM 687 O O . CYS A 1 93 ? -7.307 -4.662 5.321 1.00 77.08 ? 93 CYS A O 1 ATOM 688 C CB . CYS A 1 93 ? -6.762 -7.451 4.474 1.00 83.93 ? 93 CYS A CB 1 ATOM 689 S SG . CYS A 1 93 ? -6.081 -8.876 3.597 1.00 85.58 ? 93 CYS A SG 1 ATOM 690 N N . VAL A 1 94 ? -5.855 -5.198 6.965 1.00 79.93 ? 94 VAL A N 1 ATOM 691 C CA . VAL A 1 94 ? -6.336 -4.212 7.933 1.00 81.19 ? 94 VAL A CA 1 ATOM 692 C C . VAL A 1 94 ? -6.640 -2.833 7.311 1.00 79.29 ? 94 VAL A C 1 ATOM 693 O O . VAL A 1 94 ? -7.480 -2.074 7.807 1.00 70.97 ? 94 VAL A O 1 ATOM 694 C CB . VAL A 1 94 ? -5.307 -4.096 9.098 1.00 86.53 ? 94 VAL A CB 1 ATOM 695 C CG1 . VAL A 1 94 ? -3.870 -3.979 8.562 1.00 87.46 ? 94 VAL A CG1 1 ATOM 696 C CG2 . VAL A 1 94 ? -5.639 -2.942 10.014 1.00 85.51 ? 94 VAL A CG2 1 ATOM 697 N N . SER A 1 95 ? -5.995 -2.547 6.183 1.00 85.22 ? 95 SER A N 1 ATOM 698 C CA . SER A 1 95 ? -6.237 -1.320 5.428 1.00 84.70 ? 95 SER A CA 1 ATOM 699 C C . SER A 1 95 ? -7.399 -1.449 4.450 1.00 79.34 ? 95 SER A C 1 ATOM 700 O O . SER A 1 95 ? -8.154 -0.481 4.231 1.00 78.78 ? 95 SER A O 1 ATOM 701 C CB . SER A 1 95 ? -4.975 -0.915 4.664 1.00 80.00 ? 95 SER A CB 1 ATOM 702 O OG . SER A 1 95 ? -3.902 -0.667 5.556 1.00 79.97 ? 95 SER A OG 1 ATOM 703 N N . TYR A 1 96 ? -7.541 -2.647 3.880 1.00 70.89 ? 96 TYR A N 1 ATOM 704 C CA . TYR A 1 96 ? -8.433 -2.873 2.738 1.00 70.19 ? 96 TYR A CA 1 ATOM 705 C C . TYR A 1 96 ? -9.912 -3.011 3.090 1.00 66.82 ? 96 TYR A C 1 ATOM 706 O O . TYR A 1 96 ? -10.616 -3.866 2.532 1.00 62.13 ? 96 TYR A O 1 ATOM 707 C CB . TYR A 1 96 ? -7.988 -4.117 1.986 1.00 69.99 ? 96 TYR A CB 1 ATOM 708 C CG . TYR A 1 96 ? -6.880 -3.858 1.001 1.00 75.38 ? 96 TYR A CG 1 ATOM 709 C CD1 . TYR A 1 96 ? -7.148 -3.267 -0.226 1.00 75.16 ? 96 TYR A CD1 1 ATOM 710 C CD2 . TYR A 1 96 ? -5.561 -4.197 1.294 1.00 77.82 ? 96 TYR A CD2 1 ATOM 711 C CE1 . TYR A 1 96 ? -6.139 -3.036 -1.146 1.00 74.74 ? 96 TYR A CE1 1 ATOM 712 C CE2 . TYR A 1 96 ? -4.546 -3.966 0.383 1.00 78.46 ? 96 TYR A CE2 1 ATOM 713 C CZ . TYR A 1 96 ? -4.844 -3.388 -0.839 1.00 76.94 ? 96 TYR A CZ 1 ATOM 714 O OH . TYR A 1 96 ? -3.848 -3.152 -1.756 1.00 81.81 ? 96 TYR A OH 1 ATOM 715 N N . THR A 1 97 ? -10.374 -2.158 4.000 1.00 67.73 ? 97 THR A N 1 ATOM 716 C CA . THR A 1 97 ? -11.772 -2.120 4.405 1.00 63.83 ? 97 THR A CA 1 ATOM 717 C C . THR A 1 97 ? -12.423 -0.761 4.140 1.00 63.29 ? 97 THR A C 1 ATOM 718 O O . THR A 1 97 ? -13.647 -0.642 4.171 1.00 65.39 ? 97 THR A O 1 ATOM 719 C CB . THR A 1 97 ? -11.937 -2.411 5.892 1.00 62.71 ? 97 THR A CB 1 ATOM 720 O OG1 . THR A 1 97 ? -11.433 -1.292 6.640 1.00 57.97 ? 97 THR A OG1 1 ATOM 721 C CG2 . THR A 1 97 ? -11.215 -3.699 6.287 1.00 65.32 ? 97 THR A CG2 1 ATOM 722 N N . ILE A 1 98 ? -11.626 0.269 3.900 1.00 55.41 ? 98 ILE A N 1 ATOM 723 C CA . ILE A 1 98 ? -12.201 1.584 3.725 1.00 54.52 ? 98 ILE A CA 1 ATOM 724 C C . ILE A 1 98 ? -12.564 1.814 2.279 1.00 56.74 ? 98 ILE A C 1 ATOM 725 O O . ILE A 1 98 ? -11.735 1.622 1.410 1.00 62.03 ? 98 ILE A O 1 ATOM 726 C CB . ILE A 1 98 ? -11.248 2.667 4.210 1.00 55.67 ? 98 ILE A CB 1 ATOM 727 C CG1 . ILE A 1 98 ? -10.975 2.449 5.698 1.00 57.87 ? 98 ILE A CG1 1 ATOM 728 C CG2 . ILE A 1 98 ? -11.825 4.078 3.956 1.00 51.46 ? 98 ILE A CG2 1 ATOM 729 C CD1 . ILE A 1 98 ? -10.486 3.680 6.390 1.00 54.13 ? 98 ILE A CD1 1 ATOM 730 N N . TRP A 1 99 ? -13.807 2.221 2.019 1.00 60.69 ? 99 TRP A N 1 ATOM 731 C CA . TRP A 1 99 ? -14.293 2.364 0.641 1.00 58.05 ? 99 TRP A CA 1 ATOM 732 C C . TRP A 1 99 ? -13.570 3.463 -0.095 1.00 52.23 ? 99 TRP A C 1 ATOM 733 O O . TRP A 1 99 ? -13.110 4.410 0.504 1.00 55.20 ? 99 TRP A O 1 ATOM 734 C CB . TRP A 1 99 ? -15.787 2.651 0.601 1.00 56.29 ? 99 TRP A CB 1 ATOM 735 C CG . TRP A 1 99 ? -16.652 1.488 0.935 1.00 54.64 ? 99 TRP A CG 1 ATOM 736 C CD1 . TRP A 1 99 ? -16.344 0.437 1.741 1.00 54.55 ? 99 TRP A CD1 1 ATOM 737 C CD2 . TRP A 1 99 ? -17.975 1.270 0.454 1.00 54.42 ? 99 TRP A CD2 1 ATOM 738 N NE1 . TRP A 1 99 ? -17.403 -0.440 1.786 1.00 57.26 ? 99 TRP A NE1 1 ATOM 739 C CE2 . TRP A 1 99 ? -18.419 0.046 1.018 1.00 55.49 ? 99 TRP A CE2 1 ATOM 740 C CE3 . TRP A 1 99 ? -18.837 1.978 -0.385 1.00 50.89 ? 99 TRP A CE3 1 ATOM 741 C CZ2 . TRP A 1 99 ? -19.693 -0.468 0.767 1.00 56.19 ? 99 TRP A CZ2 1 ATOM 742 C CZ3 . TRP A 1 99 ? -20.107 1.464 -0.636 1.00 55.10 ? 99 TRP A CZ3 1 ATOM 743 C CH2 . TRP A 1 99 ? -20.518 0.247 -0.064 1.00 53.78 ? 99 TRP A CH2 1 ATOM 744 N N . LYS A 1 100 ? -13.527 3.335 -1.411 1.00 59.39 ? 100 LYS A N 1 ATOM 745 C CA . LYS A 1 100 ? -12.701 4.161 -2.284 1.00 54.87 ? 100 LYS A CA 1 ATOM 746 C C . LYS A 1 100 ? -13.270 4.025 -3.699 1.00 51.98 ? 100 LYS A C 1 ATOM 747 O O . LYS A 1 100 ? -13.910 3.031 -4.008 1.00 54.71 ? 100 LYS A O 1 ATOM 748 C CB . LYS A 1 100 ? -11.245 3.684 -2.209 1.00 59.96 ? 100 LYS A CB 1 ATOM 749 C CG . LYS A 1 100 ? -10.303 4.270 -3.231 1.00 63.48 ? 100 LYS A CG 1 ATOM 750 C CD . LYS A 1 100 ? -9.006 3.495 -3.290 1.00 57.96 ? 100 LYS A CD 1 ATOM 751 C CE . LYS A 1 100 ? -8.073 4.176 -4.281 1.00 70.00 ? 100 LYS A CE 1 ATOM 752 N NZ . LYS A 1 100 ? -7.265 3.191 -5.062 1.00 74.87 ? 100 LYS A NZ 1 ATOM 753 N N . VAL A 1 101 ? -13.064 5.011 -4.552 1.00 50.07 ? 101 VAL A N 1 ATOM 754 C CA . VAL A 1 101 ? -13.379 4.845 -5.963 1.00 53.23 ? 101 VAL A CA 1 ATOM 755 C C . VAL A 1 101 ? -12.055 4.741 -6.779 1.00 60.82 ? 101 VAL A C 1 ATOM 756 O O . VAL A 1 101 ? -11.097 5.501 -6.565 1.00 55.64 ? 101 VAL A O 1 ATOM 757 C CB . VAL A 1 101 ? -14.319 5.993 -6.437 1.00 56.78 ? 101 VAL A CB 1 ATOM 758 C CG1 . VAL A 1 101 ? -13.701 6.858 -7.523 1.00 56.56 ? 101 VAL A CG1 1 ATOM 759 C CG2 . VAL A 1 101 ? -15.619 5.402 -6.905 1.00 56.25 ? 101 VAL A CG2 1 ATOM 760 N N . GLY A 1 102 ? -11.996 3.761 -7.680 1.00 60.44 ? 102 GLY A N 1 ATOM 761 C CA . GLY A 1 102 ? -10.754 3.389 -8.331 1.00 49.93 ? 102 GLY A CA 1 ATOM 762 C C . GLY A 1 102 ? -10.327 4.340 -9.430 1.00 53.80 ? 102 GLY A C 1 ATOM 763 O O . GLY A 1 102 ? -10.930 5.403 -9.621 1.00 54.89 ? 102 GLY A O 1 ATOM 764 N N . ASN A 1 103 ? -9.273 3.961 -10.153 1.00 53.65 ? 103 ASN A N 1 ATOM 765 C CA . ASN A 1 103 ? -8.881 4.676 -11.369 1.00 49.94 ? 103 ASN A CA 1 ATOM 766 C C . ASN A 1 103 ? -9.851 4.381 -12.477 1.00 49.33 ? 103 ASN A C 1 ATOM 767 O O . ASN A 1 103 ? -10.583 3.400 -12.428 1.00 53.23 ? 103 ASN A O 1 ATOM 768 C CB . ASN A 1 103 ? -7.471 4.297 -11.800 1.00 48.99 ? 103 ASN A CB 1 ATOM 769 C CG . ASN A 1 103 ? -6.432 4.794 -10.820 1.00 54.07 ? 103 ASN A CG 1 ATOM 770 O OD1 . ASN A 1 103 ? -6.394 5.988 -10.503 1.00 61.47 ? 103 ASN A OD1 1 ATOM 771 N ND2 . ASN A 1 103 ? -5.629 3.884 -10.287 1.00 46.22 ? 103 ASN A ND2 1 ATOM 772 N N . LEU A 1 104 ? -9.872 5.241 -13.474 1.00 50.99 ? 104 LEU A N 1 ATOM 773 C CA . LEU A 1 104 ? -10.760 5.028 -14.589 1.00 51.13 ? 104 LEU A CA 1 ATOM 774 C C . LEU A 1 104 ? -10.448 3.665 -15.225 1.00 56.15 ? 104 LEU A C 1 ATOM 775 O O . LEU A 1 104 ? -9.291 3.315 -15.430 1.00 53.53 ? 104 LEU A O 1 ATOM 776 C CB . LEU A 1 104 ? -10.622 6.173 -15.590 1.00 49.57 ? 104 LEU A CB 1 ATOM 777 C CG . LEU A 1 104 ? -11.281 6.002 -16.961 1.00 56.60 ? 104 LEU A CG 1 ATOM 778 C CD1 . LEU A 1 104 ? -12.745 5.630 -16.826 1.00 52.13 ? 104 LEU A CD1 1 ATOM 779 C CD2 . LEU A 1 104 ? -11.122 7.269 -17.793 1.00 56.08 ? 104 LEU A CD2 1 ATOM 780 N N . ASN A 1 105 ? -11.496 2.892 -15.475 1.00 53.64 ? 105 ASN A N 1 ATOM 781 C CA . ASN A 1 105 ? -11.411 1.594 -16.109 1.00 46.64 ? 105 ASN A CA 1 ATOM 782 C C . ASN A 1 105 ? -11.946 1.714 -17.527 1.00 52.50 ? 105 ASN A C 1 ATOM 783 O O . ASN A 1 105 ? -13.138 1.961 -17.704 1.00 49.29 ? 105 ASN A O 1 ATOM 784 C CB . ASN A 1 105 ? -12.222 0.585 -15.290 1.00 54.32 ? 105 ASN A CB 1 ATOM 785 C CG . ASN A 1 105 ? -12.385 -0.774 -15.971 1.00 52.81 ? 105 ASN A CG 1 ATOM 786 O OD1 . ASN A 1 105 ? -13.001 -0.909 -17.040 1.00 53.71 ? 105 ASN A OD1 1 ATOM 787 N ND2 . ASN A 1 105 ? -11.889 -1.797 -15.311 1.00 49.45 ? 105 ASN A ND2 1 ATOM 788 N N . ALA A 1 106 ? -11.083 1.508 -18.528 1.00 56.49 ? 106 ALA A N 1 ATOM 789 C CA . ALA A 1 106 ? -11.426 1.771 -19.932 1.00 48.58 ? 106 ALA A CA 1 ATOM 790 C C . ALA A 1 106 ? -12.472 0.832 -20.459 1.00 53.69 ? 106 ALA A C 1 ATOM 791 O O . ALA A 1 106 ? -13.258 1.197 -21.349 1.00 58.95 ? 106 ALA A O 1 ATOM 792 C CB . ALA A 1 106 ? -10.192 1.691 -20.819 1.00 50.37 ? 106 ALA A CB 1 ATOM 793 N N . TYR A 1 107 ? -12.492 -0.385 -19.944 1.00 51.30 ? 107 TYR A N 1 ATOM 794 C CA . TYR A 1 107 ? -13.461 -1.349 -20.469 1.00 58.02 ? 107 TYR A CA 1 ATOM 795 C C . TYR A 1 107 ? -14.865 -0.913 -20.111 1.00 55.61 ? 107 TYR A C 1 ATOM 796 O O . TYR A 1 107 ? -15.761 -0.878 -20.966 1.00 60.42 ? 107 TYR A O 1 ATOM 797 C CB . TYR A 1 107 ? -13.172 -2.752 -19.940 1.00 54.16 ? 107 TYR A CB 1 ATOM 798 C CG . TYR A 1 107 ? -14.181 -3.807 -20.308 1.00 59.91 ? 107 TYR A CG 1 ATOM 799 C CD1 . TYR A 1 107 ? -14.263 -4.310 -21.603 1.00 61.39 ? 107 TYR A CD1 1 ATOM 800 C CD2 . TYR A 1 107 ? -15.039 -4.329 -19.347 1.00 60.40 ? 107 TYR A CD2 1 ATOM 801 C CE1 . TYR A 1 107 ? -15.186 -5.309 -21.930 1.00 66.85 ? 107 TYR A CE1 1 ATOM 802 C CE2 . TYR A 1 107 ? -15.957 -5.315 -19.662 1.00 59.61 ? 107 TYR A CE2 1 ATOM 803 C CZ . TYR A 1 107 ? -16.028 -5.804 -20.945 1.00 66.18 ? 107 TYR A CZ 1 ATOM 804 O OH . TYR A 1 107 ? -16.950 -6.783 -21.220 1.00 67.02 ? 107 TYR A OH 1 ATOM 805 N N . PHE A 1 108 ? -15.041 -0.571 -18.837 1.00 57.92 ? 108 PHE A N 1 ATOM 806 C CA . PHE A 1 108 ? -16.338 -0.130 -18.319 1.00 55.52 ? 108 PHE A CA 1 ATOM 807 C C . PHE A 1 108 ? -16.547 1.371 -18.477 1.00 52.89 ? 108 PHE A C 1 ATOM 808 O O . PHE A 1 108 ? -17.644 1.853 -18.281 1.00 58.01 ? 108 PHE A O 1 ATOM 809 C CB . PHE A 1 108 ? -16.478 -0.493 -16.847 1.00 50.67 ? 108 PHE A CB 1 ATOM 810 C CG . PHE A 1 108 ? -16.662 -1.954 -16.586 1.00 52.03 ? 108 PHE A CG 1 ATOM 811 C CD1 . PHE A 1 108 ? -17.813 -2.606 -16.998 1.00 53.44 ? 108 PHE A CD1 1 ATOM 812 C CD2 . PHE A 1 108 ? -15.703 -2.669 -15.885 1.00 56.07 ? 108 PHE A CD2 1 ATOM 813 C CE1 . PHE A 1 108 ? -18.002 -3.939 -16.730 1.00 47.29 ? 108 PHE A CE1 1 ATOM 814 C CE2 . PHE A 1 108 ? -15.875 -4.016 -15.623 1.00 52.41 ? 108 PHE A CE2 1 ATOM 815 C CZ . PHE A 1 108 ? -17.033 -4.648 -16.044 1.00 53.38 ? 108 PHE A CZ 1 ATOM 816 N N . ARG A 1 109 ? -15.490 2.107 -18.816 1.00 57.01 ? 109 ARG A N 1 ATOM 817 C CA . ARG A 1 109 ? -15.582 3.554 -19.005 1.00 53.93 ? 109 ARG A CA 1 ATOM 818 C C . ARG A 1 109 ? -16.136 4.268 -17.763 1.00 51.16 ? 109 ARG A C 1 ATOM 819 O O . ARG A 1 109 ? -16.881 5.230 -17.863 1.00 58.09 ? 109 ARG A O 1 ATOM 820 C CB . ARG A 1 109 ? -16.438 3.875 -20.236 1.00 56.08 ? 109 ARG A CB 1 ATOM 821 C CG . ARG A 1 109 ? -15.626 4.103 -21.527 1.00 63.52 ? 109 ARG A CG 1 ATOM 822 C CD . ARG A 1 109 ? -16.329 3.566 -22.787 1.00 66.79 ? 109 ARG A CD 1 ATOM 823 N NE . ARG A 1 109 ? -17.577 4.256 -23.106 1.00 60.02 ? 109 ARG A NE 1 ATOM 824 C CZ . ARG A 1 109 ? -18.393 3.911 -24.102 1.00 73.31 ? 109 ARG A CZ 1 ATOM 825 N NH1 . ARG A 1 109 ? -18.104 2.875 -24.895 1.00 75.75 ? 109 ARG A NH1 1 ATOM 826 N NH2 . ARG A 1 109 ? -19.504 4.608 -24.314 1.00 76.53 ? 109 ARG A NH2 1 ATOM 827 N N . THR A 1 110 ? -15.755 3.798 -16.591 1.00 46.55 ? 110 THR A N 1 ATOM 828 C CA . THR A 1 110 ? -16.178 4.433 -15.362 1.00 53.74 ? 110 THR A CA 1 ATOM 829 C C . THR A 1 110 ? -15.195 4.004 -14.299 1.00 54.13 ? 110 THR A C 1 ATOM 830 O O . THR A 1 110 ? -14.300 3.208 -14.588 1.00 53.78 ? 110 THR A O 1 ATOM 831 C CB . THR A 1 110 ? -17.626 4.043 -14.936 1.00 49.17 ? 110 THR A CB 1 ATOM 832 O OG1 . THR A 1 110 ? -18.113 5.004 -14.001 1.00 54.68 ? 110 THR A OG1 1 ATOM 833 C CG2 . THR A 1 110 ? -17.665 2.686 -14.268 1.00 42.07 ? 110 THR A CG2 1 ATOM 834 N N . MET A 1 111 ? -15.367 4.516 -13.083 1.00 49.16 ? 111 MET A N 1 ATOM 835 C CA . MET A 1 111 ? -14.557 4.091 -11.970 1.00 45.20 ? 111 MET A CA 1 ATOM 836 C C . MET A 1 111 ? -15.328 3.091 -11.150 1.00 51.01 ? 111 MET A C 1 ATOM 837 O O . MET A 1 111 ? -16.554 3.162 -11.066 1.00 57.13 ? 111 MET A O 1 ATOM 838 C CB . MET A 1 111 ? -14.156 5.289 -11.120 1.00 48.45 ? 111 MET A CB 1 ATOM 839 C CG . MET A 1 111 ? -13.608 6.423 -11.938 1.00 50.98 ? 111 MET A CG 1 ATOM 840 S SD . MET A 1 111 ? -12.944 7.766 -10.929 1.00 58.72 ? 111 MET A SD 1 ATOM 841 C CE . MET A 1 111 ? -13.610 9.169 -11.822 1.00 59.50 ? 111 MET A CE 1 ATOM 842 N N . LEU A 1 112 ? -14.619 2.170 -10.522 1.00 47.78 ? 112 LEU A N 1 ATOM 843 C CA . LEU A 1 112 ? -15.269 1.133 -9.761 1.00 48.03 ? 112 LEU A CA 1 ATOM 844 C C . LEU A 1 112 ? -15.001 1.316 -8.287 1.00 56.69 ? 112 LEU A C 1 ATOM 845 O O . LEU A 1 112 ? -13.992 1.914 -7.894 1.00 56.25 ? 112 LEU A O 1 ATOM 846 C CB . LEU A 1 112 ? -14.790 -0.252 -10.186 1.00 45.32 ? 112 LEU A CB 1 ATOM 847 C CG . LEU A 1 112 ? -14.668 -0.617 -11.663 1.00 47.84 ? 112 LEU A CG 1 ATOM 848 C CD1 . LEU A 1 112 ? -14.335 -2.083 -11.778 1.00 48.46 ? 112 LEU A CD1 1 ATOM 849 C CD2 . LEU A 1 112 ? -15.924 -0.336 -12.428 1.00 49.60 ? 112 LEU A CD2 1 ATOM 850 N N . LEU A 1 113 ? -15.893 0.770 -7.472 1.00 50.07 ? 113 LEU A N 1 ATOM 851 C CA . LEU A 1 113 ? -15.752 0.874 -6.051 1.00 48.81 ? 113 LEU A CA 1 ATOM 852 C C . LEU A 1 113 ? -14.806 -0.190 -5.575 1.00 53.20 ? 113 LEU A C 1 ATOM 853 O O . LEU A 1 113 ? -14.928 -1.351 -5.957 1.00 50.34 ? 113 LEU A O 1 ATOM 854 C CB . LEU A 1 113 ? -17.112 0.741 -5.341 1.00 55.68 ? 113 LEU A CB 1 ATOM 855 C CG . LEU A 1 113 ? -17.911 2.036 -5.164 1.00 53.16 ? 113 LEU A CG 1 ATOM 856 C CD1 . LEU A 1 113 ? -18.414 2.577 -6.494 1.00 43.14 ? 113 LEU A CD1 1 ATOM 857 C CD2 . LEU A 1 113 ? -19.062 1.839 -4.171 1.00 59.43 ? 113 LEU A CD2 1 ATOM 858 N N . GLU A 1 114 ? -13.877 0.221 -4.711 1.00 57.65 ? 114 GLU A N 1 ATOM 859 C CA . GLU A 1 114 ? -12.880 -0.679 -4.142 1.00 61.20 ? 114 GLU A CA 1 ATOM 860 C C . GLU A 1 114 ? -12.539 -0.289 -2.709 1.00 58.64 ? 114 GLU A C 1 ATOM 861 O O . GLU A 1 114 ? -12.885 0.810 -2.262 1.00 58.28 ? 114 GLU A O 1 ATOM 862 C CB . GLU A 1 114 ? -11.613 -0.678 -5.004 1.00 59.37 ? 114 GLU A CB 1 ATOM 863 C CG . GLU A 1 114 ? -11.120 0.686 -5.379 1.00 60.65 ? 114 GLU A CG 1 ATOM 864 C CD . GLU A 1 114 ? -9.956 0.626 -6.361 1.00 70.58 ? 114 GLU A CD 1 ATOM 865 O OE1 . GLU A 1 114 ? -10.203 0.296 -7.553 1.00 68.62 ? 114 GLU A OE1 1 ATOM 866 O OE2 . GLU A 1 114 ? -8.805 0.913 -5.936 1.00 65.91 ? 114 GLU A OE2 1 ATOM 867 N N . THR A 1 115 ? -11.878 -1.172 -1.971 1.00 56.13 ? 115 THR A N 1 ATOM 868 C CA . THR A 1 115 ? -11.353 -0.727 -0.686 1.00 61.51 ? 115 THR A CA 1 ATOM 869 C C . THR A 1 115 ? -9.873 -0.388 -0.816 1.00 62.41 ? 115 THR A C 1 ATOM 870 O O . THR A 1 115 ? -9.259 -0.624 -1.853 1.00 65.49 ? 115 THR A O 1 ATOM 871 C CB . THR A 1 115 ? -11.538 -1.746 0.419 1.00 58.89 ? 115 THR A CB 1 ATOM 872 O OG1 . THR A 1 115 ? -10.774 -2.909 0.119 1.00 62.70 ? 115 THR A OG1 1 ATOM 873 C CG2 . THR A 1 115 ? -12.997 -2.109 0.548 1.00 61.63 ? 115 THR A CG2 1 ATOM 874 N N . GLY A 1 116 ? -9.314 0.177 0.242 1.00 64.95 ? 116 GLY A N 1 ATOM 875 C CA . GLY A 1 116 ? -8.018 0.801 0.152 1.00 60.52 ? 116 GLY A CA 1 ATOM 876 C C . GLY A 1 116 ? -8.112 2.304 0.297 1.00 58.71 ? 116 GLY A C 1 ATOM 877 O O . GLY A 1 116 ? -7.150 2.998 0.022 1.00 59.90 ? 116 GLY A O 1 ATOM 878 N N . GLY A 1 117 ? -9.254 2.823 0.738 1.00 56.20 ? 117 GLY A N 1 ATOM 879 C CA . GLY A 1 117 ? -9.407 4.262 0.879 1.00 54.58 ? 117 GLY A CA 1 ATOM 880 C C . GLY A 1 117 ? -8.827 4.811 2.185 1.00 60.19 ? 117 GLY A C 1 ATOM 881 O O . GLY A 1 117 ? -8.204 4.078 2.949 1.00 60.80 ? 117 GLY A O 1 ATOM 882 N N . THR A 1 118 ? -9.030 6.105 2.441 1.00 58.01 ? 118 THR A N 1 ATOM 883 C CA . THR A 1 118 ? -8.595 6.739 3.685 1.00 62.92 ? 118 THR A CA 1 ATOM 884 C C . THR A 1 118 ? -9.711 7.546 4.354 1.00 62.20 ? 118 THR A C 1 ATOM 885 O O . THR A 1 118 ? -10.609 8.061 3.682 1.00 59.25 ? 118 THR A O 1 ATOM 886 C CB . THR A 1 118 ? -7.424 7.701 3.453 1.00 64.49 ? 118 THR A CB 1 ATOM 887 O OG1 . THR A 1 118 ? -7.869 8.777 2.613 1.00 68.39 ? 118 THR A OG1 1 ATOM 888 C CG2 . THR A 1 118 ? -6.241 6.988 2.800 1.00 61.08 ? 118 THR A CG2 1 ATOM 889 N N . ILE A 1 119 ? -9.631 7.690 5.672 1.00 54.84 ? 119 ILE A N 1 ATOM 890 C CA . ILE A 1 119 ? -10.632 8.455 6.391 1.00 56.55 ? 119 ILE A CA 1 ATOM 891 C C . ILE A 1 119 ? -10.141 9.871 6.589 1.00 60.95 ? 119 ILE A C 1 ATOM 892 O O . ILE A 1 119 ? -8.988 10.078 6.936 1.00 68.69 ? 119 ILE A O 1 ATOM 893 C CB . ILE A 1 119 ? -10.955 7.834 7.763 1.00 55.60 ? 119 ILE A CB 1 ATOM 894 C CG1 . ILE A 1 119 ? -11.709 6.528 7.589 1.00 54.50 ? 119 ILE A CG1 1 ATOM 895 C CG2 . ILE A 1 119 ? -11.802 8.786 8.596 1.00 59.77 ? 119 ILE A CG2 1 ATOM 896 C CD1 . ILE A 1 119 ? -12.035 5.833 8.879 1.00 60.05 ? 119 ILE A CD1 1 ATOM 897 N N . GLY A 1 120 ? -11.004 10.848 6.353 1.00 59.74 ? 120 GLY A N 1 ATOM 898 C CA . GLY A 1 120 ? -10.695 12.215 6.703 1.00 56.15 ? 120 GLY A CA 1 ATOM 899 C C . GLY A 1 120 ? -9.980 13.016 5.642 1.00 61.04 ? 120 GLY A C 1 ATOM 900 O O . GLY A 1 120 ? -9.868 14.229 5.761 1.00 73.09 ? 120 GLY A O 1 ATOM 901 N N . GLN A 1 121 ? -9.508 12.358 4.595 1.00 66.06 ? 121 GLN A N 1 ATOM 902 C CA . GLN A 1 121 ? -8.668 13.020 3.596 1.00 66.55 ? 121 GLN A CA 1 ATOM 903 C C . GLN A 1 121 ? -9.385 13.332 2.288 1.00 63.48 ? 121 GLN A C 1 ATOM 904 O O . GLN A 1 121 ? -10.278 12.605 1.863 1.00 66.82 ? 121 GLN A O 1 ATOM 905 C CB . GLN A 1 121 ? -7.435 12.158 3.323 1.00 65.63 ? 121 GLN A CB 1 ATOM 906 C CG . GLN A 1 121 ? -6.853 11.616 4.613 1.00 63.02 ? 121 GLN A CG 1 ATOM 907 C CD . GLN A 1 121 ? -5.523 10.959 4.426 1.00 62.47 ? 121 GLN A CD 1 ATOM 908 O OE1 . GLN A 1 121 ? -5.265 10.314 3.408 1.00 66.34 ? 121 GLN A OE1 1 ATOM 909 N NE2 . GLN A 1 121 ? -4.658 11.113 5.414 1.00 72.05 ? 121 GLN A NE2 1 ATOM 910 N N . ALA A 1 122 ? -8.956 14.421 1.660 1.00 68.59 ? 122 ALA A N 1 ATOM 911 C CA . ALA A 1 122 ? -9.517 14.925 0.408 1.00 69.65 ? 122 ALA A CA 1 ATOM 912 C C . ALA A 1 122 ? -8.996 14.191 -0.851 1.00 72.20 ? 122 ALA A C 1 ATOM 913 O O . ALA A 1 122 ? -8.085 14.669 -1.537 1.00 68.64 ? 122 ALA A O 1 ATOM 914 C CB . ALA A 1 122 ? -9.235 16.431 0.292 1.00 69.42 ? 122 ALA A CB 1 ATOM 915 N N . ASP A 1 123 ? -9.606 13.047 -1.160 1.00 74.67 ? 123 ASP A N 1 ATOM 916 C CA . ASP A 1 123 ? -9.173 12.192 -2.268 1.00 72.62 ? 123 ASP A CA 1 ATOM 917 C C . ASP A 1 123 ? -10.376 11.476 -2.915 1.00 67.66 ? 123 ASP A C 1 ATOM 918 O O . ASP A 1 123 ? -11.355 12.134 -3.270 1.00 63.63 ? 123 ASP A O 1 ATOM 919 C CB . ASP A 1 123 ? -8.136 11.179 -1.769 1.00 66.69 ? 123 ASP A CB 1 ATOM 920 C CG . ASP A 1 123 ? -8.586 10.462 -0.505 1.00 68.35 ? 123 ASP A CG 1 ATOM 921 O OD1 . ASP A 1 123 ? -9.773 10.633 -0.132 1.00 69.00 ? 123 ASP A OD1 1 ATOM 922 O OD2 . ASP A 1 123 ? -7.765 9.727 0.104 1.00 70.89 ? 123 ASP A OD2 1 ATOM 923 N N . ASN A 1 124 ? -10.303 10.146 -3.041 1.00 63.02 ? 124 ASN A N 1 ATOM 924 C CA . ASN A 1 124 ? -11.355 9.356 -3.689 1.00 61.18 ? 124 ASN A CA 1 ATOM 925 C C . ASN A 1 124 ? -12.189 8.479 -2.763 1.00 58.61 ? 124 ASN A C 1 ATOM 926 O O . ASN A 1 124 ? -12.826 7.519 -3.209 1.00 57.71 ? 124 ASN A O 1 ATOM 927 C CB . ASN A 1 124 ? -10.735 8.474 -4.758 1.00 59.80 ? 124 ASN A CB 1 ATOM 928 C CG . ASN A 1 124 ? -10.440 9.233 -6.010 1.00 65.52 ? 124 ASN A CG 1 ATOM 929 O OD1 . ASN A 1 124 ? -10.589 10.463 -6.041 1.00 59.14 ? 124 ASN A OD1 1 ATOM 930 N ND2 . ASN A 1 124 ? -10.025 8.517 -7.068 1.00 67.25 ? 124 ASN A ND2 1 ATOM 931 N N . SER A 1 125 ? -12.189 8.814 -1.480 1.00 55.95 ? 125 SER A N 1 ATOM 932 C CA . SER A 1 125 ? -12.803 7.964 -0.479 1.00 55.14 ? 125 SER A CA 1 ATOM 933 C C . SER A 1 125 ? -14.107 8.542 0.071 1.00 56.34 ? 125 SER A C 1 ATOM 934 O O . SER A 1 125 ? -14.696 7.974 1.004 1.00 58.74 ? 125 SER A O 1 ATOM 935 C CB . SER A 1 125 ? -11.810 7.715 0.670 1.00 57.45 ? 125 SER A CB 1 ATOM 936 O OG . SER A 1 125 ? -10.596 7.126 0.217 1.00 55.02 ? 125 SER A OG 1 ATOM 937 N N . TYR A 1 126 ? -14.545 9.665 -0.503 1.00 50.15 ? 126 TYR A N 1 ATOM 938 C CA . TYR A 1 126 ? -15.764 10.346 -0.068 1.00 56.30 ? 126 TYR A CA 1 ATOM 939 C C . TYR A 1 126 ? -17.026 9.956 -0.845 1.00 57.20 ? 126 TYR A C 1 ATOM 940 O O . TYR A 1 126 ? -17.063 9.977 -2.085 1.00 54.64 ? 126 TYR A O 1 ATOM 941 C CB . TYR A 1 126 ? -15.584 11.866 -0.164 1.00 59.98 ? 126 TYR A CB 1 ATOM 942 C CG . TYR A 1 126 ? -14.832 12.431 0.992 1.00 59.96 ? 126 TYR A CG 1 ATOM 943 C CD1 . TYR A 1 126 ? -15.016 11.916 2.269 1.00 64.00 ? 126 TYR A CD1 1 ATOM 944 C CD2 . TYR A 1 126 ? -13.917 13.457 0.819 1.00 66.21 ? 126 TYR A CD2 1 ATOM 945 C CE1 . TYR A 1 126 ? -14.325 12.419 3.357 1.00 65.72 ? 126 TYR A CE1 1 ATOM 946 C CE2 . TYR A 1 126 ? -13.206 13.964 1.904 1.00 69.26 ? 126 TYR A CE2 1 ATOM 947 C CZ . TYR A 1 126 ? -13.419 13.438 3.167 1.00 68.12 ? 126 TYR A CZ 1 ATOM 948 O OH . TYR A 1 126 ? -12.734 13.937 4.247 1.00 71.74 ? 126 TYR A OH 1 ATOM 949 N N . PHE A 1 127 ? -18.074 9.649 -0.089 1.00 57.50 ? 127 PHE A N 1 ATOM 950 C CA . PHE A 1 127 ? -19.370 9.323 -0.654 1.00 56.19 ? 127 PHE A CA 1 ATOM 951 C C . PHE A 1 127 ? -20.454 10.232 -0.052 1.00 62.86 ? 127 PHE A C 1 ATOM 952 O O . PHE A 1 127 ? -20.184 10.960 0.907 1.00 61.00 ? 127 PHE A O 1 ATOM 953 C CB . PHE A 1 127 ? -19.681 7.840 -0.425 1.00 53.85 ? 127 PHE A CB 1 ATOM 954 C CG . PHE A 1 127 ? -18.672 6.912 -1.054 1.00 57.07 ? 127 PHE A CG 1 ATOM 955 C CD1 . PHE A 1 127 ? -18.821 6.498 -2.369 1.00 51.17 ? 127 PHE A CD1 1 ATOM 956 C CD2 . PHE A 1 127 ? -17.550 6.476 -0.328 1.00 61.15 ? 127 PHE A CD2 1 ATOM 957 C CE1 . PHE A 1 127 ? -17.881 5.648 -2.952 1.00 60.33 ? 127 PHE A CE1 1 ATOM 958 C CE2 . PHE A 1 127 ? -16.601 5.627 -0.897 1.00 55.24 ? 127 PHE A CE2 1 ATOM 959 C CZ . PHE A 1 127 ? -16.764 5.209 -2.209 1.00 62.48 ? 127 PHE A CZ 1 ATOM 960 N N . LYS A 1 128 ? -21.653 10.226 -0.645 1.00 60.32 ? 128 LYS A N 1 ATOM 961 C CA . LYS A 1 128 ? -22.824 10.895 -0.069 1.00 56.42 ? 128 LYS A CA 1 ATOM 962 C C . LYS A 1 128 ? -23.969 9.905 -0.020 1.00 61.14 ? 128 LYS A C 1 ATOM 963 O O . LYS A 1 128 ? -24.138 9.123 -0.955 1.00 62.53 ? 128 LYS A O 1 ATOM 964 C CB . LYS A 1 128 ? -23.244 12.122 -0.884 1.00 53.49 ? 128 LYS A CB 1 ATOM 965 C CG . LYS A 1 128 ? -22.288 13.298 -0.834 1.00 52.27 ? 128 LYS A CG 1 ATOM 966 C CD . LYS A 1 128 ? -22.800 14.478 -1.673 1.00 55.93 ? 128 LYS A CD 1 ATOM 967 C CE . LYS A 1 128 ? -22.048 15.775 -1.356 1.00 57.92 ? 128 LYS A CE 1 ATOM 968 N NZ . LYS A 1 128 ? -22.237 16.890 -2.360 1.00 74.64 ? 128 LYS A NZ 1 ATOM 969 N N . ILE A 1 129 ? -24.745 9.912 1.062 1.00 60.42 ? 129 ILE A N 1 ATOM 970 C CA . ILE A 1 129 ? -26.046 9.257 1.041 1.00 56.22 ? 129 ILE A CA 1 ATOM 971 C C . ILE A 1 129 ? -27.089 10.283 0.605 1.00 60.43 ? 129 ILE A C 1 ATOM 972 O O . ILE A 1 129 ? -27.078 11.419 1.072 1.00 65.87 ? 129 ILE A O 1 ATOM 973 C CB . ILE A 1 129 ? -26.428 8.676 2.393 1.00 56.86 ? 129 ILE A CB 1 ATOM 974 C CG1 . ILE A 1 129 ? -25.275 7.823 2.930 1.00 58.15 ? 129 ILE A CG1 1 ATOM 975 C CG2 . ILE A 1 129 ? -27.707 7.870 2.271 1.00 52.73 ? 129 ILE A CG2 1 ATOM 976 C CD1 . ILE A 1 129 ? -25.649 6.830 3.975 1.00 55.23 ? 129 ILE A CD1 1 ATOM 977 N N . VAL A 1 130 ? -27.947 9.909 -0.334 1.00 59.19 ? 130 VAL A N 1 ATOM 978 C CA . VAL A 1 130 ? -29.081 10.753 -0.710 1.00 60.98 ? 130 VAL A CA 1 ATOM 979 C C . VAL A 1 130 ? -30.331 9.920 -0.957 1.00 58.51 ? 130 VAL A C 1 ATOM 980 O O . VAL A 1 130 ? -30.314 8.690 -0.882 1.00 59.63 ? 130 VAL A O 1 ATOM 981 C CB . VAL A 1 130 ? -28.806 11.577 -1.965 1.00 53.79 ? 130 VAL A CB 1 ATOM 982 C CG1 . VAL A 1 130 ? -27.765 12.653 -1.682 1.00 56.59 ? 130 VAL A CG1 1 ATOM 983 C CG2 . VAL A 1 130 ? -28.392 10.670 -3.092 1.00 57.30 ? 130 VAL A CG2 1 ATOM 984 N N . LYS A 1 131 ? -31.425 10.603 -1.252 1.00 64.04 ? 131 LYS A N 1 ATOM 985 C CA . LYS A 1 131 ? -32.683 9.914 -1.481 1.00 62.66 ? 131 LYS A CA 1 ATOM 986 C C . LYS A 1 131 ? -32.744 9.478 -2.938 1.00 61.64 ? 131 LYS A C 1 ATOM 987 O O . LYS A 1 131 ? -32.478 10.279 -3.858 1.00 54.50 ? 131 LYS A O 1 ATOM 988 C CB . LYS A 1 131 ? -33.882 10.817 -1.137 1.00 69.00 ? 131 LYS A CB 1 ATOM 989 C CG . LYS A 1 131 ? -33.766 11.619 0.176 1.00 70.99 ? 131 LYS A CG 1 ATOM 990 C CD . LYS A 1 131 ? -35.153 11.868 0.815 1.00 72.77 ? 131 LYS A CD 1 ATOM 991 C CE . LYS A 1 131 ? -35.180 13.101 1.729 1.00 64.98 ? 131 LYS A CE 1 ATOM 992 N NZ . LYS A 1 131 ? -35.013 14.381 0.966 1.00 58.52 ? 131 LYS A NZ 1 ATOM 993 N N . SER A 1 132 ? -33.082 8.214 -3.165 1.00 58.04 ? 132 SER A N 1 ATOM 994 C CA . SER A 1 132 ? -33.355 7.806 -4.538 1.00 63.16 ? 132 SER A CA 1 ATOM 995 C C . SER A 1 132 ? -34.478 8.627 -5.148 1.00 64.15 ? 132 SER A C 1 ATOM 996 O O . SER A 1 132 ? -35.390 9.055 -4.435 1.00 67.58 ? 132 SER A O 1 ATOM 997 C CB . SER A 1 132 ? -33.746 6.346 -4.622 1.00 64.23 ? 132 SER A CB 1 ATOM 998 O OG . SER A 1 132 ? -34.170 6.069 -5.954 1.00 67.43 ? 132 SER A OG 1 ATOM 999 N N . SER A 1 133 ? -34.442 8.810 -6.465 1.00 64.85 ? 133 SER A N 1 ATOM 1000 C CA . SER A 1 133 ? -35.557 9.445 -7.172 1.00 64.66 ? 133 SER A CA 1 ATOM 1001 C C . SER A 1 133 ? -36.729 8.471 -7.279 1.00 63.24 ? 133 SER A C 1 ATOM 1002 O O . SER A 1 133 ? -37.844 8.846 -7.668 1.00 67.03 ? 133 SER A O 1 ATOM 1003 C CB . SER A 1 133 ? -35.131 9.919 -8.559 1.00 60.26 ? 133 SER A CB 1 ATOM 1004 O OG . SER A 1 133 ? -34.484 11.178 -8.473 1.00 74.75 ? 133 SER A OG 1 ATOM 1005 N N . LYS A 1 134 ? -36.468 7.224 -6.917 1.00 57.75 ? 134 LYS A N 1 ATOM 1006 C CA . LYS A 1 134 ? -37.468 6.200 -6.960 1.00 62.81 ? 134 LYS A CA 1 ATOM 1007 C C . LYS A 1 134 ? -37.806 5.735 -5.560 1.00 69.40 ? 134 LYS A C 1 ATOM 1008 O O . LYS A 1 134 ? -38.719 6.234 -4.943 1.00 70.86 ? 134 LYS A O 1 ATOM 1009 C CB . LYS A 1 134 ? -36.917 5.042 -7.761 1.00 61.21 ? 134 LYS A CB 1 ATOM 1010 C CG . LYS A 1 134 ? -37.855 3.879 -7.956 1.00 75.04 ? 134 LYS A CG 1 ATOM 1011 C CD . LYS A 1 134 ? -37.224 2.831 -8.861 1.00 69.89 ? 134 LYS A CD 1 ATOM 1012 C CE . LYS A 1 134 ? -37.899 1.487 -8.702 1.00 70.45 ? 134 LYS A CE 1 ATOM 1013 N NZ . LYS A 1 134 ? -36.955 0.347 -8.766 1.00 75.89 ? 134 LYS A NZ 1 ATOM 1014 N N . ILE A 1 135 ? -37.081 4.743 -5.047 1.00 65.16 ? 135 ILE A N 1 ATOM 1015 C CA . ILE A 1 135 ? -37.349 4.217 -3.706 1.00 68.06 ? 135 ILE A CA 1 ATOM 1016 C C . ILE A 1 135 ? -36.072 4.167 -2.850 1.00 69.92 ? 135 ILE A C 1 ATOM 1017 O O . ILE A 1 135 ? -35.079 3.565 -3.242 1.00 67.53 ? 135 ILE A O 1 ATOM 1018 C CB . ILE A 1 135 ? -37.965 2.774 -3.752 1.00 71.27 ? 135 ILE A CB 1 ATOM 1019 C CG1 . ILE A 1 135 ? -38.922 2.609 -4.943 1.00 77.63 ? 135 ILE A CG1 1 ATOM 1020 C CG2 . ILE A 1 135 ? -38.658 2.436 -2.431 1.00 64.55 ? 135 ILE A CG2 1 ATOM 1021 C CD1 . ILE A 1 135 ? -39.174 1.149 -5.384 1.00 74.45 ? 135 ILE A CD1 1 ATOM 1022 N N . GLY A 1 136 ? -36.087 4.790 -1.679 1.00 69.81 ? 136 GLY A N 1 ATOM 1023 C CA . GLY A 1 136 ? -34.988 4.612 -0.743 1.00 58.42 ? 136 GLY A CA 1 ATOM 1024 C C . GLY A 1 136 ? -33.788 5.513 -0.977 1.00 62.16 ? 136 GLY A C 1 ATOM 1025 O O . GLY A 1 136 ? -33.914 6.704 -1.298 1.00 59.87 ? 136 GLY A O 1 ATOM 1026 N N . TYR A 1 137 ? -32.600 4.938 -0.824 1.00 61.34 ? 137 TYR A N 1 ATOM 1027 C CA . TYR A 1 137 ? -31.398 5.753 -0.848 1.00 59.74 ? 137 TYR A CA 1 ATOM 1028 C C . TYR A 1 137 ? -30.458 5.428 -2.025 1.00 64.65 ? 137 TYR A C 1 ATOM 1029 O O . TYR A 1 137 ? -30.325 4.270 -2.461 1.00 61.20 ? 137 TYR A O 1 ATOM 1030 C CB . TYR A 1 137 ? -30.634 5.597 0.474 1.00 62.05 ? 137 TYR A CB 1 ATOM 1031 C CG . TYR A 1 137 ? -31.301 6.167 1.708 1.00 55.82 ? 137 TYR A CG 1 ATOM 1032 C CD1 . TYR A 1 137 ? -31.368 7.540 1.905 1.00 57.68 ? 137 TYR A CD1 1 ATOM 1033 C CD2 . TYR A 1 137 ? -31.835 5.327 2.694 1.00 56.49 ? 137 TYR A CD2 1 ATOM 1034 C CE1 . TYR A 1 137 ? -31.963 8.083 3.038 1.00 57.38 ? 137 TYR A CE1 1 ATOM 1035 C CE2 . TYR A 1 137 ? -32.435 5.859 3.849 1.00 62.37 ? 137 TYR A CE2 1 ATOM 1036 C CZ . TYR A 1 137 ? -32.493 7.246 4.005 1.00 62.99 ? 137 TYR A CZ 1 ATOM 1037 O OH . TYR A 1 137 ? -33.073 7.808 5.122 1.00 65.51 ? 137 TYR A OH 1 ATOM 1038 N N . ASN A 1 138 ? -29.802 6.467 -2.528 1.00 60.69 ? 138 ASN A N 1 ATOM 1039 C CA . ASN A 1 138 ? -28.699 6.301 -3.463 1.00 61.29 ? 138 ASN A CA 1 ATOM 1040 C C . ASN A 1 138 ? -27.363 6.656 -2.773 1.00 64.11 ? 138 ASN A C 1 ATOM 1041 O O . ASN A 1 138 ? -27.319 7.557 -1.915 1.00 58.71 ? 138 ASN A O 1 ATOM 1042 C CB . ASN A 1 138 ? -28.909 7.179 -4.709 1.00 56.26 ? 138 ASN A CB 1 ATOM 1043 C CG . ASN A 1 138 ? -29.963 6.617 -5.655 1.00 58.39 ? 138 ASN A CG 1 ATOM 1044 O OD1 . ASN A 1 138 ? -30.208 5.405 -5.694 1.00 57.35 ? 138 ASN A OD1 1 ATOM 1045 N ND2 . ASN A 1 138 ? -30.584 7.501 -6.435 1.00 56.59 ? 138 ASN A ND2 1 ATOM 1046 N N . LEU A 1 139 ? -26.294 5.934 -3.117 1.00 58.39 ? 139 LEU A N 1 ATOM 1047 C CA . LEU A 1 139 ? -24.944 6.356 -2.742 1.00 53.09 ? 139 LEU A CA 1 ATOM 1048 C C . LEU A 1 139 ? -24.389 7.241 -3.844 1.00 53.57 ? 139 LEU A C 1 ATOM 1049 O O . LEU A 1 139 ? -24.635 6.976 -5.020 1.00 57.37 ? 139 LEU A O 1 ATOM 1050 C CB . LEU A 1 139 ? -24.031 5.164 -2.528 1.00 42.30 ? 139 LEU A CB 1 ATOM 1051 C CG . LEU A 1 139 ? -24.490 4.203 -1.442 1.00 51.09 ? 139 LEU A CG 1 ATOM 1052 C CD1 . LEU A 1 139 ? -23.354 3.238 -1.072 1.00 48.21 ? 139 LEU A CD1 1 ATOM 1053 C CD2 . LEU A 1 139 ? -25.026 4.943 -0.207 1.00 57.62 ? 139 LEU A CD2 1 ATOM 1054 N N . LEU A 1 140 ? -23.673 8.301 -3.479 1.00 50.80 ? 140 LEU A N 1 ATOM 1055 C CA . LEU A 1 140 ? -22.922 9.082 -4.470 1.00 56.38 ? 140 LEU A CA 1 ATOM 1056 C C . LEU A 1 140 ? -21.446 8.914 -4.243 1.00 54.48 ? 140 LEU A C 1 ATOM 1057 O O . LEU A 1 140 ? -21.013 8.598 -3.145 1.00 59.97 ? 140 LEU A O 1 ATOM 1058 C CB . LEU A 1 140 ? -23.258 10.570 -4.416 1.00 53.46 ? 140 LEU A CB 1 ATOM 1059 C CG . LEU A 1 140 ? -24.727 10.857 -4.643 1.00 56.87 ? 140 LEU A CG 1 ATOM 1060 C CD1 . LEU A 1 140 ? -24.913 12.337 -4.948 1.00 52.12 ? 140 LEU A CD1 1 ATOM 1061 C CD2 . LEU A 1 140 ? -25.200 9.961 -5.772 1.00 50.78 ? 140 LEU A CD2 1 ATOM 1062 N N . SER A 1 141 ? -20.666 9.118 -5.284 1.00 56.97 ? 141 SER A N 1 ATOM 1063 C CA . SER A 1 141 ? -19.231 9.141 -5.119 1.00 53.99 ? 141 SER A CA 1 ATOM 1064 C C . SER A 1 141 ? -18.792 10.505 -5.576 1.00 52.80 ? 141 SER A C 1 ATOM 1065 O O . SER A 1 141 ? -19.110 10.921 -6.690 1.00 57.67 ? 141 SER A O 1 ATOM 1066 C CB . SER A 1 141 ? -18.554 8.006 -5.905 1.00 54.15 ? 141 SER A CB 1 ATOM 1067 O OG . SER A 1 141 ? -17.241 8.342 -6.349 1.00 55.83 ? 141 SER A OG 1 ATOM 1068 N N . CYS A 1 142 ? -18.114 11.225 -4.688 1.00 55.70 ? 142 CYS A N 1 ATOM 1069 C CA . CYS A 1 142 ? -17.604 12.551 -5.013 1.00 61.26 ? 142 CYS A CA 1 ATOM 1070 C C . CYS A 1 142 ? -16.076 12.480 -5.022 1.00 64.35 ? 142 CYS A C 1 ATOM 1071 O O . CYS A 1 142 ? -15.415 12.901 -4.066 1.00 61.12 ? 142 CYS A O 1 ATOM 1072 C CB . CYS A 1 142 ? -18.109 13.609 -4.012 1.00 51.10 ? 142 CYS A CB 1 ATOM 1073 S SG . CYS A 1 142 ? -19.923 13.763 -3.857 1.00 64.28 ? 142 CYS A SG 1 ATOM 1074 N N . PRO A 1 143 ? -15.502 11.925 -6.099 1.00 61.66 ? 143 PRO A N 1 ATOM 1075 C CA . PRO A 1 143 ? -14.042 11.804 -6.144 1.00 63.25 ? 143 PRO A CA 1 ATOM 1076 C C . PRO A 1 143 ? -13.406 13.171 -6.408 1.00 59.76 ? 143 PRO A C 1 ATOM 1077 O O . PRO A 1 143 ? -14.123 14.085 -6.823 1.00 66.16 ? 143 PRO A O 1 ATOM 1078 C CB . PRO A 1 143 ? -13.812 10.839 -7.321 1.00 62.41 ? 143 PRO A CB 1 ATOM 1079 C CG . PRO A 1 143 ? -14.922 11.155 -8.261 1.00 60.64 ? 143 PRO A CG 1 ATOM 1080 C CD . PRO A 1 143 ? -16.119 11.551 -7.387 1.00 62.12 ? 143 PRO A CD 1 ATOM 1081 N N . PHE A 1 144 ? -12.108 13.309 -6.164 1.00 56.96 ? 144 PHE A N 1 ATOM 1082 C CA . PHE A 1 144 ? -11.359 14.534 -6.484 1.00 59.88 ? 144 PHE A CA 1 ATOM 1083 C C . PHE A 1 144 ? -11.826 15.803 -5.756 1.00 56.17 ? 144 PHE A C 1 ATOM 1084 O O . PHE A 1 144 ? -11.850 16.886 -6.340 1.00 53.24 ? 144 PHE A O 1 ATOM 1085 C CB . PHE A 1 144 ? -11.391 14.765 -7.996 1.00 58.49 ? 144 PHE A CB 1 ATOM 1086 C CG . PHE A 1 144 ? -11.060 13.536 -8.782 1.00 58.52 ? 144 PHE A CG 1 ATOM 1087 C CD1 . PHE A 1 144 ? -9.944 12.794 -8.475 1.00 55.24 ? 144 PHE A CD1 1 ATOM 1088 C CD2 . PHE A 1 144 ? -11.889 13.096 -9.784 1.00 61.45 ? 144 PHE A CD2 1 ATOM 1089 C CE1 . PHE A 1 144 ? -9.638 11.644 -9.164 1.00 61.46 ? 144 PHE A CE1 1 ATOM 1090 C CE2 . PHE A 1 144 ? -11.590 11.945 -10.466 1.00 68.04 ? 144 PHE A CE2 1 ATOM 1091 C CZ . PHE A 1 144 ? -10.457 11.214 -10.159 1.00 61.42 ? 144 PHE A CZ 1 ATOM 1092 N N . THR A 1 145 ? -12.155 15.680 -4.474 1.00 52.80 ? 145 THR A N 1 ATOM 1093 C CA . THR A 1 145 ? -12.511 16.847 -3.669 1.00 55.55 ? 145 THR A CA 1 ATOM 1094 C C . THR A 1 145 ? -11.430 17.954 -3.629 1.00 57.46 ? 145 THR A C 1 ATOM 1095 O O . THR A 1 145 ? -11.711 19.081 -3.228 1.00 59.25 ? 145 THR A O 1 ATOM 1096 C CB . THR A 1 145 ? -12.821 16.424 -2.243 1.00 56.97 ? 145 THR A CB 1 ATOM 1097 O OG1 . THR A 1 145 ? -11.706 15.693 -1.735 1.00 68.20 ? 145 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 145 ? -14.041 15.499 -2.212 1.00 60.46 ? 145 THR A CG2 1 ATOM 1099 N N . SER A 1 146 ? -10.205 17.627 -4.032 1.00 52.59 ? 146 SER A N 1 ATOM 1100 C CA . SER A 1 146 ? -9.115 18.583 -4.059 1.00 49.36 ? 146 SER A CA 1 ATOM 1101 C C . SER A 1 146 ? -9.094 19.390 -5.326 1.00 58.32 ? 146 SER A C 1 ATOM 1102 O O . SER A 1 146 ? -8.218 20.249 -5.502 1.00 57.49 ? 146 SER A O 1 ATOM 1103 C CB . SER A 1 146 ? -7.764 17.881 -3.945 1.00 55.11 ? 146 SER A CB 1 ATOM 1104 O OG . SER A 1 146 ? -7.501 17.508 -2.612 1.00 71.42 ? 146 SER A OG 1 ATOM 1105 N N . ILE A 1 147 ? -9.988 19.073 -6.254 1.00 59.21 ? 147 ILE A N 1 ATOM 1106 C CA . ILE A 1 147 ? -9.948 19.751 -7.544 1.00 57.32 ? 147 ILE A CA 1 ATOM 1107 C C . ILE A 1 147 ? -11.222 20.514 -7.803 1.00 54.61 ? 147 ILE A C 1 ATOM 1108 O O . ILE A 1 147 ? -12.342 20.000 -7.634 1.00 54.50 ? 147 ILE A O 1 ATOM 1109 C CB . ILE A 1 147 ? -9.716 18.788 -8.718 1.00 54.22 ? 147 ILE A CB 1 ATOM 1110 C CG1 . ILE A 1 147 ? -8.486 17.920 -8.476 1.00 47.59 ? 147 ILE A CG1 1 ATOM 1111 C CG2 . ILE A 1 147 ? -9.554 19.580 -10.025 1.00 48.99 ? 147 ILE A CG2 1 ATOM 1112 C CD1 . ILE A 1 147 ? -8.042 17.180 -9.723 1.00 49.23 ? 147 ILE A CD1 1 ATOM 1113 N N . ILE A 1 148 ? -11.031 21.761 -8.201 1.00 57.22 ? 148 ILE A N 1 ATOM 1114 C CA . ILE A 1 148 ? -12.144 22.622 -8.554 1.00 65.68 ? 148 ILE A CA 1 ATOM 1115 C C . ILE A 1 148 ? -12.800 22.088 -9.821 1.00 59.80 ? 148 ILE A C 1 ATOM 1116 O O . ILE A 1 148 ? -12.228 22.146 -10.936 1.00 51.45 ? 148 ILE A O 1 ATOM 1117 C CB . ILE A 1 148 ? -11.709 24.099 -8.734 1.00 59.31 ? 148 ILE A CB 1 ATOM 1118 C CG1 . ILE A 1 148 ? -11.537 24.751 -7.354 1.00 60.81 ? 148 ILE A CG1 1 ATOM 1119 C CG2 . ILE A 1 148 ? -12.762 24.871 -9.496 1.00 59.93 ? 148 ILE A CG2 1 ATOM 1120 C CD1 . ILE A 1 148 ? -10.976 26.181 -7.395 1.00 51.78 ? 148 ILE A CD1 1 ATOM 1121 N N . CYS A 1 149 ? -13.981 21.522 -9.587 1.00 53.15 ? 149 CYS A N 1 ATOM 1122 C CA . CYS A 1 149 ? -14.938 21.172 -10.619 1.00 58.85 ? 149 CYS A CA 1 ATOM 1123 C C . CYS A 1 149 ? -15.667 22.454 -11.042 1.00 59.83 ? 149 CYS A C 1 ATOM 1124 O O . CYS A 1 149 ? -16.571 22.915 -10.334 1.00 56.44 ? 149 CYS A O 1 ATOM 1125 C CB . CYS A 1 149 ? -15.912 20.118 -10.073 1.00 64.15 ? 149 CYS A CB 1 ATOM 1126 S SG . CYS A 1 149 ? -17.122 19.475 -11.241 1.00 72.41 ? 149 CYS A SG 1 ATOM 1127 N N . LEU A 1 150 ? -15.258 23.037 -12.174 1.00 57.39 ? 150 LEU A N 1 ATOM 1128 C CA . LEU A 1 150 ? -15.765 24.342 -12.629 1.00 56.97 ? 150 LEU A CA 1 ATOM 1129 C C . LEU A 1 150 ? -17.292 24.450 -12.747 1.00 69.18 ? 150 LEU A C 1 ATOM 1130 O O . LEU A 1 150 ? -17.918 23.706 -13.508 1.00 72.66 ? 150 LEU A O 1 ATOM 1131 C CB . LEU A 1 150 ? -15.167 24.679 -13.980 1.00 48.96 ? 150 LEU A CB 1 ATOM 1132 C CG . LEU A 1 150 ? -13.660 24.771 -14.008 1.00 49.26 ? 150 LEU A CG 1 ATOM 1133 C CD1 . LEU A 1 150 ? -13.148 25.041 -15.413 1.00 49.59 ? 150 LEU A CD1 1 ATOM 1134 C CD2 . LEU A 1 150 ? -13.241 25.883 -13.074 1.00 58.58 ? 150 LEU A CD2 1 ATOM 1135 N N . ARG A 1 151 ? -17.865 25.397 -12.003 1.00 66.04 ? 151 ARG A N 1 ATOM 1136 C CA . ARG A 1 151 ? -19.300 25.703 -11.985 1.00 61.77 ? 151 ARG A CA 1 ATOM 1137 C C . ARG A 1 151 ? -20.174 24.544 -11.563 1.00 66.28 ? 151 ARG A C 1 ATOM 1138 O O . ARG A 1 151 ? -21.386 24.590 -11.744 1.00 73.59 ? 151 ARG A O 1 ATOM 1139 C CB . ARG A 1 151 ? -19.764 26.220 -13.343 1.00 68.63 ? 151 ARG A CB 1 ATOM 1140 C CG . ARG A 1 151 ? -18.835 27.288 -13.923 1.00 79.98 ? 151 ARG A CG 1 ATOM 1141 C CD . ARG A 1 151 ? -19.289 27.766 -15.301 1.00 79.20 ? 151 ARG A CD 1 ATOM 1142 N NE . ARG A 1 151 ? -18.161 27.865 -16.233 1.00 92.61 ? 151 ARG A NE 1 ATOM 1143 C CZ . ARG A 1 151 ? -18.144 27.326 -17.454 1.00 99.14 ? 151 ARG A CZ 1 ATOM 1144 N NH1 . ARG A 1 151 ? -19.201 26.637 -17.893 1.00 88.07 ? 151 ARG A NH1 1 ATOM 1145 N NH2 . ARG A 1 151 ? -17.072 27.468 -18.235 1.00 96.77 ? 151 ARG A NH2 1 ATOM 1146 N N . CYS A 1 152 ? -19.579 23.520 -10.967 1.00 62.07 ? 152 CYS A N 1 ATOM 1147 C CA . CYS A 1 152 ? -20.350 22.394 -10.458 1.00 61.00 ? 152 CYS A CA 1 ATOM 1148 C C . CYS A 1 152 ? -20.856 22.752 -9.068 1.00 64.46 ? 152 CYS A C 1 ATOM 1149 O O . CYS A 1 152 ? -20.299 23.659 -8.446 1.00 67.87 ? 152 CYS A O 1 ATOM 1150 C CB . CYS A 1 152 ? -19.480 21.125 -10.423 1.00 63.63 ? 152 CYS A CB 1 ATOM 1151 S SG . CYS A 1 152 ? -18.440 20.901 -11.890 1.00 71.13 ? 152 CYS A SG 1 ATOM 1152 N N . PRO A 1 153 ? -21.883 22.035 -8.555 1.00 63.94 ? 153 PRO A N 1 ATOM 1153 C CA . PRO A 1 153 ? -22.339 22.368 -7.203 1.00 60.68 ? 153 PRO A CA 1 ATOM 1154 C C . PRO A 1 153 ? -21.195 22.274 -6.215 1.00 71.11 ? 153 PRO A C 1 ATOM 1155 O O . PRO A 1 153 ? -20.704 21.166 -5.940 1.00 72.60 ? 153 PRO A O 1 ATOM 1156 C CB . PRO A 1 153 ? -23.403 21.305 -6.903 1.00 62.28 ? 153 PRO A CB 1 ATOM 1157 C CG . PRO A 1 153 ? -23.070 20.169 -7.810 1.00 59.49 ? 153 PRO A CG 1 ATOM 1158 C CD . PRO A 1 153 ? -22.546 20.820 -9.062 1.00 62.59 ? 153 PRO A CD 1 ATOM 1159 N N . GLU A 1 154 ? -20.771 23.437 -5.722 1.00 71.17 ? 154 GLU A N 1 ATOM 1160 C CA . GLU A 1 154 ? -19.706 23.564 -4.730 1.00 66.83 ? 154 GLU A CA 1 ATOM 1161 C C . GLU A 1 154 ? -18.367 23.222 -5.303 1.00 63.55 ? 154 GLU A C 1 ATOM 1162 O O . GLU A 1 154 ? -17.504 22.730 -4.587 1.00 66.72 ? 154 GLU A O 1 ATOM 1163 C CB . GLU A 1 154 ? -19.956 22.681 -3.514 1.00 62.51 ? 154 GLU A CB 1 ATOM 1164 C CG . GLU A 1 154 ? -21.178 23.054 -2.739 1.00 71.43 ? 154 GLU A CG 1 ATOM 1165 C CD . GLU A 1 154 ? -21.733 21.863 -2.010 1.00 83.04 ? 154 GLU A CD 1 ATOM 1166 O OE1 . GLU A 1 154 ? -21.636 20.739 -2.569 1.00 90.92 ? 154 GLU A OE1 1 ATOM 1167 O OE2 . GLU A 1 154 ? -22.243 22.043 -0.879 1.00 83.55 ? 154 GLU A OE2 1 ATOM 1168 N N . ASP A 1 155 ? -18.188 23.481 -6.590 1.00 67.14 ? 155 ASP A N 1 ATOM 1169 C CA . ASP A 1 155 ? -16.937 23.123 -7.262 1.00 70.90 ? 155 ASP A CA 1 ATOM 1170 C C . ASP A 1 155 ? -16.532 21.660 -7.069 1.00 67.42 ? 155 ASP A C 1 ATOM 1171 O O . ASP A 1 155 ? -15.330 21.343 -7.093 1.00 62.18 ? 155 ASP A O 1 ATOM 1172 C CB . ASP A 1 155 ? -15.808 24.028 -6.784 1.00 64.94 ? 155 ASP A CB 1 ATOM 1173 C CG . ASP A 1 155 ? -16.006 25.461 -7.217 1.00 67.25 ? 155 ASP A CG 1 ATOM 1174 O OD1 . ASP A 1 155 ? -16.924 25.715 -8.042 1.00 64.58 ? 155 ASP A OD1 1 ATOM 1175 O OD2 . ASP A 1 155 ? -15.237 26.323 -6.735 1.00 72.67 ? 155 ASP A OD2 1 ATOM 1176 N N . GLN A 1 156 ? -17.540 20.794 -6.907 1.00 55.90 ? 156 GLN A N 1 ATOM 1177 C CA . GLN A 1 156 ? -17.336 19.396 -6.586 1.00 62.66 ? 156 GLN A CA 1 ATOM 1178 C C . GLN A 1 156 ? -17.999 18.449 -7.613 1.00 66.30 ? 156 GLN A C 1 ATOM 1179 O O . GLN A 1 156 ? -19.206 18.511 -7.859 1.00 67.14 ? 156 GLN A O 1 ATOM 1180 C CB . GLN A 1 156 ? -17.866 19.119 -5.170 1.00 63.94 ? 156 GLN A CB 1 ATOM 1181 C CG . GLN A 1 156 ? -17.779 17.662 -4.714 1.00 63.23 ? 156 GLN A CG 1 ATOM 1182 C CD . GLN A 1 156 ? -16.362 17.071 -4.814 1.00 66.42 ? 156 GLN A CD 1 ATOM 1183 O OE1 . GLN A 1 156 ? -15.419 17.624 -4.259 1.00 66.00 ? 156 GLN A OE1 1 ATOM 1184 N NE2 . GLN A 1 156 ? -16.220 15.937 -5.514 1.00 62.82 ? 156 GLN A NE2 1 ATOM 1185 N N . PHE A 1 157 ? -17.195 17.568 -8.198 1.00 65.21 ? 157 PHE A N 1 ATOM 1186 C CA . PHE A 1 157 ? -17.670 16.504 -9.083 1.00 53.73 ? 157 PHE A CA 1 ATOM 1187 C C . PHE A 1 157 ? -18.244 15.343 -8.287 1.00 55.74 ? 157 PHE A C 1 ATOM 1188 O O . PHE A 1 157 ? -17.560 14.744 -7.460 1.00 61.36 ? 157 PHE A O 1 ATOM 1189 C CB . PHE A 1 157 ? -16.517 16.041 -9.978 1.00 61.24 ? 157 PHE A CB 1 ATOM 1190 C CG . PHE A 1 157 ? -16.751 14.729 -10.685 1.00 66.31 ? 157 PHE A CG 1 ATOM 1191 C CD1 . PHE A 1 157 ? -17.927 14.488 -11.390 1.00 63.22 ? 157 PHE A CD1 1 ATOM 1192 C CD2 . PHE A 1 157 ? -15.761 13.757 -10.694 1.00 63.70 ? 157 PHE A CD2 1 ATOM 1193 C CE1 . PHE A 1 157 ? -18.117 13.293 -12.059 1.00 61.85 ? 157 PHE A CE1 1 ATOM 1194 C CE2 . PHE A 1 157 ? -15.946 12.560 -11.369 1.00 61.83 ? 157 PHE A CE2 1 ATOM 1195 C CZ . PHE A 1 157 ? -17.116 12.327 -12.054 1.00 59.22 ? 157 PHE A CZ 1 ATOM 1196 N N . CYS A 1 158 ? -19.518 15.035 -8.508 1.00 61.29 ? 158 CYS A N 1 ATOM 1197 C CA . CYS A 1 158 ? -20.124 13.862 -7.878 1.00 57.46 ? 158 CYS A CA 1 ATOM 1198 C C . CYS A 1 158 ? -20.884 13.104 -8.932 1.00 54.46 ? 158 CYS A C 1 ATOM 1199 O O . CYS A 1 158 ? -21.242 13.682 -9.961 1.00 50.94 ? 158 CYS A O 1 ATOM 1200 C CB . CYS A 1 158 ? -21.061 14.234 -6.731 1.00 55.80 ? 158 CYS A CB 1 ATOM 1201 S SG . CYS A 1 158 ? -20.284 15.135 -5.361 1.00 56.58 ? 158 CYS A SG 1 ATOM 1202 N N . ALA A 1 159 ? -21.134 11.823 -8.647 1.00 52.14 ? 159 ALA A N 1 ATOM 1203 C CA . ALA A 1 159 ? -21.715 10.871 -9.590 1.00 48.58 ? 159 ALA A CA 1 ATOM 1204 C C . ALA A 1 159 ? -22.528 9.827 -8.866 1.00 52.48 ? 159 ALA A C 1 ATOM 1205 O O . ALA A 1 159 ? -22.269 9.560 -7.690 1.00 50.47 ? 159 ALA A O 1 ATOM 1206 C CB . ALA A 1 159 ? -20.642 10.188 -10.409 1.00 51.44 ? 159 ALA A CB 1 ATOM 1207 N N . LYS A 1 160 ? -23.492 9.220 -9.567 1.00 48.40 ? 160 LYS A N 1 ATOM 1208 C CA . LYS A 1 160 ? -24.329 8.191 -8.955 1.00 51.71 ? 160 LYS A CA 1 ATOM 1209 C C . LYS A 1 160 ? -23.628 6.828 -8.921 1.00 52.85 ? 160 LYS A C 1 ATOM 1210 O O . LYS A 1 160 ? -22.806 6.507 -9.783 1.00 53.49 ? 160 LYS A O 1 ATOM 1211 C CB . LYS A 1 160 ? -25.664 8.093 -9.694 1.00 53.49 ? 160 LYS A CB 1 ATOM 1212 C CG . LYS A 1 160 ? -26.387 9.418 -9.772 1.00 55.67 ? 160 LYS A CG 1 ATOM 1213 C CD . LYS A 1 160 ? -27.755 9.299 -10.400 1.00 55.34 ? 160 LYS A CD 1 ATOM 1214 C CE . LYS A 1 160 ? -27.996 10.478 -11.321 1.00 65.64 ? 160 LYS A CE 1 ATOM 1215 N NZ . LYS A 1 160 ? -26.989 10.471 -12.446 1.00 65.86 ? 160 LYS A NZ 1 ATOM 1216 N N . VAL A 1 161 ? -23.957 6.025 -7.921 1.00 49.06 ? 161 VAL A N 1 ATOM 1217 C CA . VAL A 1 161 ? -23.313 4.742 -7.735 1.00 47.76 ? 161 VAL A CA 1 ATOM 1218 C C . VAL A 1 161 ? -24.262 3.643 -8.159 1.00 57.22 ? 161 VAL A C 1 ATOM 1219 O O . VAL A 1 161 ? -25.360 3.504 -7.618 1.00 58.36 ? 161 VAL A O 1 ATOM 1220 C CB . VAL A 1 161 ? -22.879 4.546 -6.270 1.00 54.90 ? 161 VAL A CB 1 ATOM 1221 C CG1 . VAL A 1 161 ? -22.454 3.084 -5.997 1.00 52.35 ? 161 VAL A CG1 1 ATOM 1222 C CG2 . VAL A 1 161 ? -21.774 5.542 -5.920 1.00 51.85 ? 161 VAL A CG2 1 ATOM 1223 N N . GLY A 1 162 ? -23.847 2.862 -9.148 1.00 58.02 ? 162 GLY A N 1 ATOM 1224 C CA . GLY A 1 162 ? -24.697 1.812 -9.658 1.00 56.65 ? 162 GLY A CA 1 ATOM 1225 C C . GLY A 1 162 ? -23.982 0.477 -9.685 1.00 58.88 ? 162 GLY A C 1 ATOM 1226 O O . GLY A 1 162 ? -23.188 0.160 -8.793 1.00 57.30 ? 162 GLY A O 1 ATOM 1227 N N . VAL A 1 163 ? -24.280 -0.326 -10.700 1.00 58.99 ? 163 VAL A N 1 ATOM 1228 C CA . VAL A 1 163 ? -23.621 -1.613 -10.839 1.00 57.15 ? 163 VAL A CA 1 ATOM 1229 C C . VAL A 1 163 ? -23.239 -1.873 -12.298 1.00 56.08 ? 163 VAL A C 1 ATOM 1230 O O . VAL A 1 163 ? -23.949 -1.479 -13.230 1.00 59.47 ? 163 VAL A O 1 ATOM 1231 C CB . VAL A 1 163 ? -24.508 -2.748 -10.296 1.00 53.90 ? 163 VAL A CB 1 ATOM 1232 C CG1 . VAL A 1 163 ? -24.039 -4.131 -10.770 1.00 59.51 ? 163 VAL A CG1 1 ATOM 1233 C CG2 . VAL A 1 163 ? -24.528 -2.714 -8.782 1.00 58.79 ? 163 VAL A CG2 1 ATOM 1234 N N . VAL A 1 164 ? -22.070 -2.471 -12.480 1.00 53.31 ? 164 VAL A N 1 ATOM 1235 C CA . VAL A 1 164 ? -21.727 -3.110 -13.743 1.00 55.28 ? 164 VAL A CA 1 ATOM 1236 C C . VAL A 1 164 ? -21.474 -4.571 -13.459 1.00 53.73 ? 164 VAL A C 1 ATOM 1237 O O . VAL A 1 164 ? -21.224 -4.948 -12.307 1.00 54.95 ? 164 VAL A O 1 ATOM 1238 C CB . VAL A 1 164 ? -20.483 -2.505 -14.392 1.00 50.17 ? 164 VAL A CB 1 ATOM 1239 C CG1 . VAL A 1 164 ? -20.761 -1.090 -14.812 1.00 48.31 ? 164 VAL A CG1 1 ATOM 1240 C CG2 . VAL A 1 164 ? -19.306 -2.577 -13.435 1.00 44.19 ? 164 VAL A CG2 1 ATOM 1241 N N . ILE A 1 165 ? -21.535 -5.397 -14.497 1.00 55.85 ? 165 ILE A N 1 ATOM 1242 C CA . ILE A 1 165 ? -21.211 -6.810 -14.331 1.00 58.46 ? 165 ILE A CA 1 ATOM 1243 C C . ILE A 1 165 ? -19.766 -7.115 -14.724 1.00 55.47 ? 165 ILE A C 1 ATOM 1244 O O . ILE A 1 165 ? -19.357 -6.926 -15.864 1.00 57.34 ? 165 ILE A O 1 ATOM 1245 C CB . ILE A 1 165 ? -22.144 -7.712 -15.139 1.00 59.09 ? 165 ILE A CB 1 ATOM 1246 C CG1 . ILE A 1 165 ? -23.595 -7.233 -15.000 1.00 64.43 ? 165 ILE A CG1 1 ATOM 1247 C CG2 . ILE A 1 165 ? -21.987 -9.158 -14.679 1.00 56.38 ? 165 ILE A CG2 1 ATOM 1248 C CD1 . ILE A 1 165 ? -24.164 -7.403 -13.596 1.00 62.12 ? 165 ILE A CD1 1 ATOM 1249 N N . GLN A 1 166 ? -19.021 -7.609 -13.745 1.00 56.05 ? 166 GLN A N 1 ATOM 1250 C CA . GLN A 1 166 ? -17.605 -7.913 -13.851 1.00 57.97 ? 166 GLN A CA 1 ATOM 1251 C C . GLN A 1 166 ? -17.471 -9.385 -13.500 1.00 62.32 ? 166 GLN A C 1 ATOM 1252 O O . GLN A 1 166 ? -17.663 -9.750 -12.346 1.00 62.69 ? 166 GLN A O 1 ATOM 1253 C CB . GLN A 1 166 ? -16.799 -7.019 -12.885 1.00 59.60 ? 166 GLN A CB 1 ATOM 1254 C CG . GLN A 1 166 ? -15.297 -7.181 -12.877 1.00 60.02 ? 166 GLN A CG 1 ATOM 1255 C CD . GLN A 1 166 ? -14.644 -6.438 -11.714 1.00 65.18 ? 166 GLN A CD 1 ATOM 1256 O OE1 . GLN A 1 166 ? -15.130 -6.484 -10.579 1.00 67.49 ? 166 GLN A OE1 1 ATOM 1257 N NE2 . GLN A 1 166 ? -13.531 -5.760 -11.992 1.00 60.61 ? 166 GLN A NE2 1 ATOM 1258 N N . ASN A 1 167 ? -17.178 -10.230 -14.489 1.00 66.11 ? 167 ASN A N 1 ATOM 1259 C CA . ASN A 1 167 ? -17.145 -11.683 -14.287 1.00 66.24 ? 167 ASN A CA 1 ATOM 1260 C C . ASN A 1 167 ? -18.423 -12.281 -13.719 1.00 67.33 ? 167 ASN A C 1 ATOM 1261 O O . ASN A 1 167 ? -18.369 -13.196 -12.887 1.00 67.72 ? 167 ASN A O 1 ATOM 1262 C CB . ASN A 1 167 ? -15.986 -12.076 -13.374 1.00 66.71 ? 167 ASN A CB 1 ATOM 1263 C CG . ASN A 1 167 ? -14.730 -12.348 -14.142 1.00 74.33 ? 167 ASN A CG 1 ATOM 1264 O OD1 . ASN A 1 167 ? -14.544 -11.805 -15.230 1.00 76.99 ? 167 ASN A OD1 1 ATOM 1265 N ND2 . ASN A 1 167 ? -13.865 -13.209 -13.604 1.00 76.08 ? 167 ASN A ND2 1 ATOM 1266 N N . GLY A 1 168 ? -19.570 -11.772 -14.162 1.00 67.64 ? 168 GLY A N 1 ATOM 1267 C CA . GLY A 1 168 ? -20.847 -12.317 -13.728 1.00 72.25 ? 168 GLY A CA 1 ATOM 1268 C C . GLY A 1 168 ? -21.265 -11.953 -12.309 1.00 73.26 ? 168 GLY A C 1 ATOM 1269 O O . GLY A 1 168 ? -22.313 -12.398 -11.825 1.00 75.26 ? 168 GLY A O 1 ATOM 1270 N N . LYS A 1 169 ? -20.447 -11.149 -11.637 1.00 66.24 ? 169 LYS A N 1 ATOM 1271 C CA . LYS A 1 169 ? -20.803 -10.627 -10.334 1.00 64.79 ? 169 LYS A CA 1 ATOM 1272 C C . LYS A 1 169 ? -21.199 -9.160 -10.462 1.00 61.25 ? 169 LYS A C 1 ATOM 1273 O O . LYS A 1 169 ? -20.741 -8.472 -11.374 1.00 60.16 ? 169 LYS A O 1 ATOM 1274 C CB . LYS A 1 169 ? -19.648 -10.809 -9.357 1.00 63.41 ? 169 LYS A CB 1 ATOM 1275 C CG . LYS A 1 169 ? -19.401 -12.256 -9.002 1.00 63.95 ? 169 LYS A CG 1 ATOM 1276 C CD . LYS A 1 169 ? -18.100 -12.397 -8.226 1.00 76.44 ? 169 LYS A CD 1 ATOM 1277 C CE . LYS A 1 169 ? -16.900 -11.856 -9.031 1.00 79.49 ? 169 LYS A CE 1 ATOM 1278 N NZ . LYS A 1 169 ? -15.634 -11.716 -8.213 1.00 79.54 ? 169 LYS A NZ 1 ATOM 1279 N N . ARG A 1 170 ? -22.072 -8.689 -9.570 1.00 60.07 ? 170 ARG A N 1 ATOM 1280 C CA . ARG A 1 170 ? -22.472 -7.279 -9.562 1.00 60.11 ? 170 ARG A CA 1 ATOM 1281 C C . ARG A 1 170 ? -21.442 -6.402 -8.852 1.00 60.63 ? 170 ARG A C 1 ATOM 1282 O O . ARG A 1 170 ? -21.197 -6.575 -7.659 1.00 57.60 ? 170 ARG A O 1 ATOM 1283 C CB . ARG A 1 170 ? -23.825 -7.111 -8.893 1.00 63.16 ? 170 ARG A CB 1 ATOM 1284 C CG . ARG A 1 170 ? -24.974 -7.608 -9.712 1.00 69.75 ? 170 ARG A CG 1 ATOM 1285 C CD . ARG A 1 170 ? -26.009 -8.236 -8.810 1.00 71.27 ? 170 ARG A CD 1 ATOM 1286 N NE . ARG A 1 170 ? -27.335 -8.244 -9.425 1.00 68.20 ? 170 ARG A NE 1 ATOM 1287 C CZ . ARG A 1 170 ? -28.440 -8.612 -8.787 1.00 66.27 ? 170 ARG A CZ 1 ATOM 1288 N NH1 . ARG A 1 170 ? -28.375 -9.004 -7.518 1.00 64.32 ? 170 ARG A NH1 1 ATOM 1289 N NH2 . ARG A 1 170 ? -29.604 -8.596 -9.420 1.00 66.57 ? 170 ARG A NH2 1 ATOM 1290 N N . ARG A 1 171 ? -20.846 -5.468 -9.594 1.00 59.51 ? 171 ARG A N 1 ATOM 1291 C CA . ARG A 1 171 ? -19.755 -4.641 -9.093 1.00 54.55 ? 171 ARG A CA 1 ATOM 1292 C C . ARG A 1 171 ? -20.200 -3.213 -9.042 1.00 55.75 ? 171 ARG A C 1 ATOM 1293 O O . ARG A 1 171 ? -20.598 -2.648 -10.064 1.00 56.93 ? 171 ARG A O 1 ATOM 1294 C CB . ARG A 1 171 ? -18.530 -4.751 -9.989 1.00 55.56 ? 171 ARG A CB 1 ATOM 1295 C CG . ARG A 1 171 ? -17.377 -3.855 -9.587 1.00 53.91 ? 171 ARG A CG 1 ATOM 1296 C CD . ARG A 1 171 ? -16.663 -4.452 -8.410 1.00 53.29 ? 171 ARG A CD 1 ATOM 1297 N NE . ARG A 1 171 ? -15.638 -3.571 -7.864 1.00 54.47 ? 171 ARG A NE 1 ATOM 1298 C CZ . ARG A 1 171 ? -14.352 -3.648 -8.189 1.00 56.55 ? 171 ARG A CZ 1 ATOM 1299 N NH1 . ARG A 1 171 ? -13.955 -4.558 -9.061 1.00 56.66 ? 171 ARG A NH1 1 ATOM 1300 N NH2 . ARG A 1 171 ? -13.470 -2.824 -7.647 1.00 52.40 ? 171 ARG A NH2 1 ATOM 1301 N N . LEU A 1 172 ? -20.129 -2.610 -7.863 1.00 60.98 ? 172 LEU A N 1 ATOM 1302 C CA . LEU A 1 172 ? -20.602 -1.239 -7.734 1.00 62.71 ? 172 LEU A CA 1 ATOM 1303 C C . LEU A 1 172 ? -19.641 -0.302 -8.468 1.00 55.32 ? 172 LEU A C 1 ATOM 1304 O O . LEU A 1 172 ? -18.416 -0.411 -8.357 1.00 58.81 ? 172 LEU A O 1 ATOM 1305 C CB . LEU A 1 172 ? -20.769 -0.847 -6.256 1.00 59.32 ? 172 LEU A CB 1 ATOM 1306 C CG . LEU A 1 172 ? -22.054 -1.348 -5.566 1.00 58.15 ? 172 LEU A CG 1 ATOM 1307 C CD1 . LEU A 1 172 ? -22.076 -2.872 -5.351 1.00 54.34 ? 172 LEU A CD1 1 ATOM 1308 C CD2 . LEU A 1 172 ? -22.284 -0.611 -4.242 1.00 49.41 ? 172 LEU A CD2 1 ATOM 1309 N N . ALA A 1 173 ? -20.204 0.607 -9.241 1.00 49.89 ? 173 ALA A N 1 ATOM 1310 C CA . ALA A 1 173 ? -19.388 1.516 -10.019 1.00 56.26 ? 173 ALA A CA 1 ATOM 1311 C C . ALA A 1 173 ? -20.123 2.827 -10.246 1.00 52.66 ? 173 ALA A C 1 ATOM 1312 O O . ALA A 1 173 ? -21.331 2.898 -10.049 1.00 59.63 ? 173 ALA A O 1 ATOM 1313 C CB . ALA A 1 173 ? -19.019 0.867 -11.346 1.00 54.29 ? 173 ALA A CB 1 ATOM 1314 N N . LEU A 1 174 ? -19.420 3.863 -10.679 1.00 48.48 ? 174 LEU A N 1 ATOM 1315 C CA . LEU A 1 174 ? -20.113 5.104 -10.967 1.00 49.14 ? 174 LEU A CA 1 ATOM 1316 C C . LEU A 1 174 ? -20.943 4.860 -12.213 1.00 51.89 ? 174 LEU A C 1 ATOM 1317 O O . LEU A 1 174 ? -20.406 4.388 -13.209 1.00 55.84 ? 174 LEU A O 1 ATOM 1318 C CB . LEU A 1 174 ? -19.140 6.280 -11.162 1.00 46.40 ? 174 LEU A CB 1 ATOM 1319 C CG . LEU A 1 174 ? -18.059 6.488 -10.076 1.00 52.70 ? 174 LEU A CG 1 ATOM 1320 C CD1 . LEU A 1 174 ? -17.445 7.879 -10.104 1.00 46.28 ? 174 LEU A CD1 1 ATOM 1321 C CD2 . LEU A 1 174 ? -18.603 6.175 -8.715 1.00 47.65 ? 174 LEU A CD2 1 ATOM 1322 N N . VAL A 1 175 ? -22.244 5.169 -12.158 1.00 56.54 ? 175 VAL A N 1 ATOM 1323 C CA . VAL A 1 175 ? -23.142 5.073 -13.330 1.00 48.71 ? 175 VAL A CA 1 ATOM 1324 C C . VAL A 1 175 ? -23.855 6.379 -13.619 1.00 53.91 ? 175 VAL A C 1 ATOM 1325 O O . VAL A 1 175 ? -23.814 7.327 -12.825 1.00 58.58 ? 175 VAL A O 1 ATOM 1326 C CB . VAL A 1 175 ? -24.255 4.027 -13.158 1.00 53.50 ? 175 VAL A CB 1 ATOM 1327 C CG1 . VAL A 1 175 ? -23.702 2.623 -12.819 1.00 46.32 ? 175 VAL A CG1 1 ATOM 1328 C CG2 . VAL A 1 175 ? -25.230 4.517 -12.090 1.00 57.55 ? 175 VAL A CG2 1 ATOM 1329 N N . ASN A 1 176 ? -24.538 6.400 -14.757 1.00 55.83 ? 176 ASN A N 1 ATOM 1330 C CA . ASN A 1 176 ? -25.300 7.550 -15.225 1.00 54.16 ? 176 ASN A CA 1 ATOM 1331 C C . ASN A 1 176 ? -26.785 7.368 -15.007 1.00 60.95 ? 176 ASN A C 1 ATOM 1332 O O . ASN A 1 176 ? -27.516 8.329 -14.761 1.00 65.37 ? 176 ASN A O 1 ATOM 1333 C CB . ASN A 1 176 ? -25.054 7.770 -16.696 1.00 49.21 ? 176 ASN A CB 1 ATOM 1334 C CG . ASN A 1 176 ? -23.630 8.050 -16.986 1.00 58.70 ? 176 ASN A CG 1 ATOM 1335 O OD1 . ASN A 1 176 ? -22.929 8.647 -16.171 1.00 63.08 ? 176 ASN A OD1 1 ATOM 1336 N ND2 . ASN A 1 176 ? -23.165 7.609 -18.141 1.00 60.97 ? 176 ASN A ND2 1 ATOM 1337 N N . GLU A 1 177 ? -27.207 6.111 -15.122 1.00 61.19 ? 177 GLU A N 1 ATOM 1338 C CA . GLU A 1 177 ? -28.589 5.710 -14.973 1.00 59.92 ? 177 GLU A CA 1 ATOM 1339 C C . GLU A 1 177 ? -28.686 4.470 -14.107 1.00 64.98 ? 177 GLU A C 1 ATOM 1340 O O . GLU A 1 177 ? -27.701 3.750 -13.892 1.00 63.59 ? 177 GLU A O 1 ATOM 1341 C CB . GLU A 1 177 ? -29.216 5.424 -16.329 1.00 67.38 ? 177 GLU A CB 1 ATOM 1342 C CG . GLU A 1 177 ? -29.086 6.545 -17.328 1.00 73.13 ? 177 GLU A CG 1 ATOM 1343 C CD . GLU A 1 177 ? -29.286 6.046 -18.743 1.00 94.89 ? 177 GLU A CD 1 ATOM 1344 O OE1 . GLU A 1 177 ? -28.746 4.961 -19.068 1.00 99.59 ? 177 GLU A OE1 1 ATOM 1345 O OE2 . GLU A 1 177 ? -29.992 6.723 -19.528 1.00 109.42 ? 177 GLU A OE2 1 ATOM 1346 N N . ASN A 1 178 ? -29.900 4.203 -13.649 1.00 64.82 ? 178 ASN A N 1 ATOM 1347 C CA . ASN A 1 178 ? -30.160 3.133 -12.690 1.00 62.71 ? 178 ASN A CA 1 ATOM 1348 C C . ASN A 1 178 ? -29.239 3.092 -11.507 1.00 58.70 ? 178 ASN A C 1 ATOM 1349 O O . ASN A 1 178 ? -28.537 2.095 -11.315 1.00 56.07 ? 178 ASN A O 1 ATOM 1350 C CB . ASN A 1 178 ? -30.118 1.783 -13.377 1.00 67.90 ? 178 ASN A CB 1 ATOM 1351 C CG . ASN A 1 178 ? -31.305 1.574 -14.257 1.00 72.77 ? 178 ASN A CG 1 ATOM 1352 O OD1 . ASN A 1 178 ? -31.258 1.854 -15.459 1.00 76.83 ? 178 ASN A OD1 1 ATOM 1353 N ND2 . ASN A 1 178 ? -32.415 1.144 -13.653 1.00 75.50 ? 178 ASN A ND2 1 ATOM 1354 N N . PRO A 1 179 ? -29.248 4.172 -10.703 1.00 58.93 ? 179 PRO A N 1 ATOM 1355 C CA . PRO A 1 179 ? -28.524 4.102 -9.444 1.00 47.38 ? 179 PRO A CA 1 ATOM 1356 C C . PRO A 1 179 ? -29.053 2.951 -8.603 1.00 52.53 ? 179 PRO A C 1 ATOM 1357 O O . PRO A 1 179 ? -30.240 2.622 -8.677 1.00 59.41 ? 179 PRO A O 1 ATOM 1358 C CB . PRO A 1 179 ? -28.822 5.453 -8.794 1.00 54.51 ? 179 PRO A CB 1 ATOM 1359 C CG . PRO A 1 179 ? -30.004 5.975 -9.488 1.00 54.27 ? 179 PRO A CG 1 ATOM 1360 C CD . PRO A 1 179 ? -29.921 5.473 -10.876 1.00 53.78 ? 179 PRO A CD 1 ATOM 1361 N N . LEU A 1 180 ? -28.180 2.316 -7.839 1.00 46.57 ? 180 LEU A N 1 ATOM 1362 C CA . LEU A 1 180 ? -28.626 1.321 -6.884 1.00 51.13 ? 180 LEU A CA 1 ATOM 1363 C C . LEU A 1 180 ? -29.440 2.024 -5.800 1.00 58.27 ? 180 LEU A C 1 ATOM 1364 O O . LEU A 1 180 ? -28.949 2.942 -5.162 1.00 58.07 ? 180 LEU A O 1 ATOM 1365 C CB . LEU A 1 180 ? -27.431 0.603 -6.288 1.00 51.05 ? 180 LEU A CB 1 ATOM 1366 C CG . LEU A 1 180 ? -27.640 -0.647 -5.464 1.00 53.23 ? 180 LEU A CG 1 ATOM 1367 C CD1 . LEU A 1 180 ? -28.232 -1.742 -6.315 1.00 57.92 ? 180 LEU A CD1 1 ATOM 1368 C CD2 . LEU A 1 180 ? -26.297 -1.073 -4.930 1.00 49.01 ? 180 LEU A CD2 1 ATOM 1369 N N . ASP A 1 181 ? -30.697 1.629 -5.629 1.00 61.95 ? 181 ASP A N 1 ATOM 1370 C CA . ASP A 1 181 ? -31.552 2.183 -4.583 1.00 57.33 ? 181 ASP A CA 1 ATOM 1371 C C . ASP A 1 181 ? -31.339 1.379 -3.328 1.00 57.32 ? 181 ASP A C 1 ATOM 1372 O O . ASP A 1 181 ? -31.528 0.200 -3.377 1.00 51.69 ? 181 ASP A O 1 ATOM 1373 C CB . ASP A 1 181 ? -33.014 2.112 -4.996 1.00 55.74 ? 181 ASP A CB 1 ATOM 1374 C CG . ASP A 1 181 ? -33.325 3.010 -6.147 1.00 59.90 ? 181 ASP A CG 1 ATOM 1375 O OD1 . ASP A 1 181 ? -32.655 4.056 -6.254 1.00 59.01 ? 181 ASP A OD1 1 ATOM 1376 O OD2 . ASP A 1 181 ? -34.225 2.666 -6.950 1.00 66.83 ? 181 ASP A OD2 1 ATOM 1377 N N . VAL A 1 182 ? -30.950 1.954 -2.195 1.00 60.04 ? 182 VAL A N 1 ATOM 1378 C CA . VAL A 1 182 ? -30.666 1.051 -1.066 1.00 60.73 ? 182 VAL A CA 1 ATOM 1379 C C . VAL A 1 182 ? -31.280 1.423 0.281 1.00 60.23 ? 182 VAL A C 1 ATOM 1380 O O . VAL A 1 182 ? -31.763 2.555 0.506 1.00 55.27 ? 182 VAL A O 1 ATOM 1381 C CB . VAL A 1 182 ? -29.142 0.901 -0.837 1.00 59.31 ? 182 VAL A CB 1 ATOM 1382 C CG1 . VAL A 1 182 ? -28.519 -0.042 -1.884 1.00 51.49 ? 182 VAL A CG1 1 ATOM 1383 C CG2 . VAL A 1 182 ? -28.479 2.273 -0.824 1.00 52.62 ? 182 VAL A CG2 1 ATOM 1384 N N . LEU A 1 183 ? -31.220 0.433 1.166 1.00 56.26 ? 183 LEU A N 1 ATOM 1385 C CA . LEU A 1 183 ? -31.659 0.555 2.542 1.00 63.49 ? 183 LEU A CA 1 ATOM 1386 C C . LEU A 1 183 ? -30.531 0.147 3.485 1.00 64.72 ? 183 LEU A C 1 ATOM 1387 O O . LEU A 1 183 ? -29.726 -0.722 3.140 1.00 62.92 ? 183 LEU A O 1 ATOM 1388 C CB . LEU A 1 183 ? -32.891 -0.325 2.801 1.00 66.00 ? 183 LEU A CB 1 ATOM 1389 C CG . LEU A 1 183 ? -34.230 0.074 2.170 1.00 67.11 ? 183 LEU A CG 1 ATOM 1390 C CD1 . LEU A 1 183 ? -35.355 -0.715 2.833 1.00 67.09 ? 183 LEU A CD1 1 ATOM 1391 C CD2 . LEU A 1 183 ? -34.483 1.606 2.217 1.00 51.93 ? 183 LEU A CD2 1 ATOM 1392 N N . PHE A 1 184 ? -30.512 0.747 4.678 1.00 64.57 ? 184 PHE A N 1 ATOM 1393 C CA . PHE A 1 184 ? -29.516 0.461 5.713 1.00 64.19 ? 184 PHE A CA 1 ATOM 1394 C C . PHE A 1 184 ? -30.095 -0.282 6.923 1.00 67.63 ? 184 PHE A C 1 ATOM 1395 O O . PHE A 1 184 ? -31.040 0.160 7.550 1.00 66.23 ? 184 PHE A O 1 ATOM 1396 C CB . PHE A 1 184 ? -28.881 1.762 6.156 1.00 64.02 ? 184 PHE A CB 1 ATOM 1397 C CG . PHE A 1 184 ? -28.453 2.625 5.015 1.00 65.81 ? 184 PHE A CG 1 ATOM 1398 C CD1 . PHE A 1 184 ? -27.458 2.195 4.145 1.00 57.17 ? 184 PHE A CD1 1 ATOM 1399 C CD2 . PHE A 1 184 ? -29.047 3.859 4.797 1.00 55.79 ? 184 PHE A CD2 1 ATOM 1400 C CE1 . PHE A 1 184 ? -27.050 2.990 3.084 1.00 56.02 ? 184 PHE A CE1 1 ATOM 1401 C CE2 . PHE A 1 184 ? -28.634 4.651 3.740 1.00 64.64 ? 184 PHE A CE2 1 ATOM 1402 C CZ . PHE A 1 184 ? -27.634 4.211 2.878 1.00 54.82 ? 184 PHE A CZ 1 ATOM 1403 N N . GLN A 1 185 ? -29.524 -1.422 7.257 1.00 70.08 ? 185 GLN A N 1 ATOM 1404 C CA . GLN A 1 185 ? -30.195 -2.305 8.195 1.00 72.47 ? 185 GLN A CA 1 ATOM 1405 C C . GLN A 1 185 ? -29.236 -2.713 9.308 1.00 71.86 ? 185 GLN A C 1 ATOM 1406 O O . GLN A 1 185 ? -28.416 -3.619 9.124 1.00 71.30 ? 185 GLN A O 1 ATOM 1407 C CB . GLN A 1 185 ? -30.745 -3.527 7.451 1.00 69.36 ? 185 GLN A CB 1 ATOM 1408 C CG . GLN A 1 185 ? -31.594 -4.459 8.274 1.00 71.68 ? 185 GLN A CG 1 ATOM 1409 C CD . GLN A 1 185 ? -31.376 -5.894 7.880 1.00 73.57 ? 185 GLN A CD 1 ATOM 1410 O OE1 . GLN A 1 185 ? -30.341 -6.227 7.308 1.00 85.38 ? 185 GLN A OE1 1 ATOM 1411 N NE2 . GLN A 1 185 ? -32.345 -6.755 8.172 1.00 79.29 ? 185 GLN A NE2 1 ATOM 1412 N N . GLU A 1 186 ? -29.348 -2.022 10.448 1.00 70.38 ? 186 GLU A N 1 ATOM 1413 C CA . GLU A 1 186 ? -28.485 -2.229 11.609 1.00 70.70 ? 186 GLU A CA 1 ATOM 1414 C C . GLU A 1 186 ? -28.342 -3.703 12.008 1.00 69.63 ? 186 GLU A C 1 ATOM 1415 O O . GLU A 1 186 ? -29.244 -4.515 11.810 1.00 70.98 ? 186 GLU A O 1 ATOM 1416 C CB . GLU A 1 186 ? -29.007 -1.411 12.790 1.00 77.69 ? 186 GLU A CB 1 ATOM 1417 C CG . GLU A 1 186 ? -28.087 -1.426 14.007 1.00 84.67 ? 186 GLU A CG 1 ATOM 1418 C CD . GLU A 1 186 ? -28.728 -0.836 15.268 1.00 90.22 ? 186 GLU A CD 1 ATOM 1419 O OE1 . GLU A 1 186 ? -28.921 0.404 15.333 1.00 85.90 ? 186 GLU A OE1 1 ATOM 1420 O OE2 . GLU A 1 186 ? -29.027 -1.621 16.199 1.00 91.58 ? 186 GLU A OE2 1 ATOM 1421 N N . VAL A 1 187 ? -27.175 -4.047 12.530 1.00 72.66 ? 187 VAL A N 1 ATOM 1422 C CA . VAL A 1 187 ? -26.877 -5.417 12.923 1.00 78.61 ? 187 VAL A CA 1 ATOM 1423 C C . VAL A 1 187 ? -26.286 -5.440 14.335 1.00 82.66 ? 187 VAL A C 1 ATOM 1424 O O . VAL A 1 187 ? -26.786 -6.133 15.227 1.00 82.54 ? 187 VAL A O 1 ATOM 1425 C CB . VAL A 1 187 ? -25.890 -6.090 11.936 1.00 82.28 ? 187 VAL A CB 1 ATOM 1426 C CG1 . VAL A 1 187 ? -26.435 -6.040 10.515 1.00 81.36 ? 187 VAL A CG1 1 ATOM 1427 C CG2 . VAL A 1 187 ? -24.533 -5.411 11.995 1.00 78.48 ? 187 VAL A CG2 1 HETATM 1428 C C1 . NAG B 2 . ? -21.156 7.621 20.200 1.00 99.69 ? 1188 NAG A C1 1 HETATM 1429 C C2 . NAG B 2 . ? -21.622 9.029 19.886 1.00 104.11 ? 1188 NAG A C2 1 HETATM 1430 C C3 . NAG B 2 . ? -22.043 9.712 21.137 1.00 110.26 ? 1188 NAG A C3 1 HETATM 1431 C C4 . NAG B 2 . ? -21.102 9.627 22.284 1.00 109.40 ? 1188 NAG A C4 1 HETATM 1432 C C5 . NAG B 2 . ? -19.896 8.755 22.103 1.00 106.38 ? 1188 NAG A C5 1 HETATM 1433 C C6 . NAG B 2 . ? -19.323 8.505 23.466 1.00 104.50 ? 1188 NAG A C6 1 HETATM 1434 C C7 . NAG B 2 . ? -23.894 8.256 19.119 1.00 101.61 ? 1188 NAG A C7 1 HETATM 1435 C C8 . NAG B 2 . ? -24.989 8.370 18.117 1.00 93.44 ? 1188 NAG A C8 1 HETATM 1436 N N2 . NAG B 2 . ? -22.704 9.080 18.955 1.00 100.46 ? 1188 NAG A N2 1 HETATM 1437 O O3 . NAG B 2 . ? -22.239 11.139 20.888 1.00 111.15 ? 1188 NAG A O3 1 HETATM 1438 O O4 . NAG B 2 . ? -20.636 10.971 22.561 1.00 110.17 ? 1188 NAG A O4 1 HETATM 1439 O O5 . NAG B 2 . ? -20.270 7.497 21.400 1.00 102.36 ? 1188 NAG A O5 1 HETATM 1440 O O6 . NAG B 2 . ? -19.128 9.774 24.118 1.00 99.98 ? 1188 NAG A O6 1 HETATM 1441 O O7 . NAG B 2 . ? -23.997 7.470 20.053 1.00 104.46 ? 1188 NAG A O7 1 HETATM 1442 O O . HOH C 3 . ? -33.079 10.451 4.871 1.00 65.17 ? 2001 HOH A O 1 HETATM 1443 O O . HOH C 3 . ? -22.217 3.278 11.123 1.00 57.85 ? 2002 HOH A O 1 HETATM 1444 O O . HOH C 3 . ? -25.633 -11.098 -13.786 1.00 61.97 ? 2003 HOH A O 1 HETATM 1445 O O . HOH C 3 . ? -23.423 -5.231 3.295 1.00 65.51 ? 2004 HOH A O 1 HETATM 1446 O O . HOH C 3 . ? -30.111 -6.489 -0.201 1.00 59.57 ? 2005 HOH A O 1 HETATM 1447 O O . HOH C 3 . ? -32.195 -1.369 -3.443 1.00 69.22 ? 2006 HOH A O 1 HETATM 1448 O O . HOH C 3 . ? -27.153 -11.821 -11.885 1.00 67.82 ? 2007 HOH A O 1 HETATM 1449 O O . HOH C 3 . ? -27.136 -13.400 -0.721 1.00 71.48 ? 2008 HOH A O 1 HETATM 1450 O O . HOH C 3 . ? -18.762 -10.266 4.436 1.00 64.20 ? 2009 HOH A O 1 HETATM 1451 O O . HOH C 3 . ? -23.147 13.910 7.832 1.00 70.91 ? 2010 HOH A O 1 HETATM 1452 O O . HOH C 3 . ? -24.162 12.334 3.093 1.00 62.20 ? 2011 HOH A O 1 HETATM 1453 O O . HOH C 3 . ? -14.635 5.891 2.360 1.00 51.85 ? 2012 HOH A O 1 HETATM 1454 O O . HOH C 3 . ? -10.778 10.472 3.267 1.00 65.05 ? 2013 HOH A O 1 HETATM 1455 O O . HOH C 3 . ? -5.658 2.883 -6.657 1.00 67.53 ? 2014 HOH A O 1 HETATM 1456 O O . HOH C 3 . ? -11.904 1.586 -10.872 1.00 46.88 ? 2015 HOH A O 1 HETATM 1457 O O . HOH C 3 . ? -13.688 11.832 -2.634 1.00 62.48 ? 2016 HOH A O 1 HETATM 1458 O O . HOH C 3 . ? -8.745 8.165 -2.506 1.00 66.80 ? 2017 HOH A O 1 HETATM 1459 O O . HOH C 3 . ? -15.384 8.760 -4.167 1.00 57.32 ? 2018 HOH A O 1 HETATM 1460 O O . HOH C 3 . ? -23.993 10.439 -11.365 1.00 56.59 ? 2019 HOH A O 1 # _database_PDB_caveat.id 1 _database_PDB_caveat.text 'NAG A1188 PLANAR AT C1' # 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 GLU 1 1 ? ? ? A . n A 1 2 SER 2 2 ? ? ? A . n A 1 3 PRO 3 3 3 PRO PRO A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 PRO 5 5 5 PRO PRO A . n A 1 6 LYS 6 6 6 LYS LYS A . n A 1 7 PRO 7 7 7 PRO PRO A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 ASN 12 12 12 ASN ASN A . n A 1 13 GLY 13 13 13 GLY GLY A . n A 1 14 LYS 14 14 14 LYS LYS A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 LEU 16 16 16 LEU LEU A . n A 1 17 ASN 17 17 17 ASN ASN A . n A 1 18 PRO 18 18 18 PRO PRO A . n A 1 19 ASN 19 19 19 ASN ASN A . n A 1 20 SER 20 20 20 SER SER A . n A 1 21 SER 21 21 21 SER SER A . n A 1 22 TYR 22 22 22 TYR TYR A . n A 1 23 ARG 23 23 23 ARG ARG A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 ILE 25 25 25 ILE ILE A . n A 1 26 SER 26 26 26 SER SER A . n A 1 27 ILE 27 27 27 ILE ILE A . n A 1 28 GLY 28 28 28 GLY GLY A . n A 1 29 ARG 29 29 29 ARG ARG A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLY 33 33 33 GLY GLY A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 ASP 35 35 35 ASP ASP A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 TYR 37 37 37 TYR TYR A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 GLY 39 39 39 GLY GLY A . n A 1 40 LYS 40 40 40 LYS LYS A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 PRO 42 42 42 PRO PRO A . n A 1 43 ASN 43 43 43 ASN ASN A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ASP 45 45 45 ASP ASP A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 PRO 47 47 47 PRO PRO A . n A 1 48 CYS 48 48 48 CYS CYS A . n A 1 49 PRO 49 49 49 PRO PRO A . n A 1 50 ASP 50 50 50 ASP ASP A . n A 1 51 GLY 51 51 51 GLY GLY A . n A 1 52 VAL 52 52 52 VAL VAL A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 TYR 55 55 55 TYR TYR A . n A 1 56 ASN 56 56 56 ASN ASN A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 ASP 58 58 58 ASP ASP A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 PRO 61 61 61 PRO PRO A . n A 1 62 SER 62 62 62 SER SER A . n A 1 63 GLY 63 63 63 GLY GLY A . n A 1 64 THR 64 64 64 THR THR A . n A 1 65 PRO 65 65 65 PRO PRO A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 ARG 67 67 67 ARG ARG A . n A 1 68 PHE 68 68 68 PHE PHE A . n A 1 69 ILE 69 69 69 ILE ILE A . n A 1 70 PRO 70 70 70 PRO PRO A . n A 1 71 LEU 71 71 71 LEU LEU A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 THR 73 73 73 THR THR A . n A 1 74 ASN 74 74 74 ASN ASN A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 PHE 76 76 76 PHE PHE A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 ASP 78 78 78 ASP ASP A . n A 1 79 GLN 79 79 79 GLN GLN A . n A 1 80 LEU 80 80 80 LEU LEU A . n A 1 81 LEU 81 81 81 LEU LEU A . n A 1 82 ASN 82 82 82 ASN ASN A . n A 1 83 ILE 83 83 83 ILE ILE A . n A 1 84 GLN 84 84 84 GLN GLN A . n A 1 85 PHE 85 85 85 PHE PHE A . n A 1 86 ASN 86 86 86 ASN ASN A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 PRO 88 88 88 PRO PRO A . n A 1 89 THR 89 89 89 THR THR A . n A 1 90 VAL 90 90 90 VAL VAL A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 CYS 93 93 93 CYS CYS A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 TYR 96 96 96 TYR TYR A . n A 1 97 THR 97 97 97 THR THR A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 TRP 99 99 99 TRP TRP A . n A 1 100 LYS 100 100 100 LYS LYS A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 ASN 103 103 103 ASN ASN A . n A 1 104 LEU 104 104 104 LEU LEU A . n A 1 105 ASN 105 105 105 ASN ASN A . n A 1 106 ALA 106 106 106 ALA ALA A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 PHE 108 108 108 PHE PHE A . n A 1 109 ARG 109 109 109 ARG ARG A . n A 1 110 THR 110 110 110 THR THR A . n A 1 111 MET 111 111 111 MET MET A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 LEU 113 113 113 LEU LEU A . n A 1 114 GLU 114 114 114 GLU GLU A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 GLY 116 116 116 GLY GLY A . n A 1 117 GLY 117 117 117 GLY GLY A . n A 1 118 THR 118 118 118 THR THR A . n A 1 119 ILE 119 119 119 ILE ILE A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 ALA 122 122 122 ALA ALA A . n A 1 123 ASP 123 123 123 ASP ASP A . n A 1 124 ASN 124 124 124 ASN ASN A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 TYR 126 126 126 TYR TYR A . n A 1 127 PHE 127 127 127 PHE PHE A . n A 1 128 LYS 128 128 128 LYS LYS A . n A 1 129 ILE 129 129 129 ILE ILE A . n A 1 130 VAL 130 130 130 VAL VAL A . n A 1 131 LYS 131 131 131 LYS LYS A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 SER 133 133 133 SER SER A . n A 1 134 LYS 134 134 134 LYS LYS A . n A 1 135 ILE 135 135 135 ILE ILE A . n A 1 136 GLY 136 136 136 GLY GLY A . n A 1 137 TYR 137 137 137 TYR TYR A . n A 1 138 ASN 138 138 138 ASN ASN A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 CYS 142 142 142 CYS CYS A . n A 1 143 PRO 143 143 143 PRO PRO A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 SER 146 146 146 SER SER A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 ILE 148 148 148 ILE ILE A . n A 1 149 CYS 149 149 149 CYS CYS A . n A 1 150 LEU 150 150 150 LEU LEU A . n A 1 151 ARG 151 151 151 ARG ARG A . n A 1 152 CYS 152 152 152 CYS CYS A . n A 1 153 PRO 153 153 153 PRO PRO A . n A 1 154 GLU 154 154 154 GLU GLU A . n A 1 155 ASP 155 155 155 ASP ASP A . n A 1 156 GLN 156 156 156 GLN GLN A . n A 1 157 PHE 157 157 157 PHE PHE A . n A 1 158 CYS 158 158 158 CYS CYS A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 LYS 160 160 160 LYS LYS A . n A 1 161 VAL 161 161 161 VAL VAL A . n A 1 162 GLY 162 162 162 GLY GLY A . n A 1 163 VAL 163 163 163 VAL VAL A . n A 1 164 VAL 164 164 164 VAL VAL A . n A 1 165 ILE 165 165 165 ILE ILE A . n A 1 166 GLN 166 166 166 GLN GLN A . n A 1 167 ASN 167 167 167 ASN ASN A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 LYS 169 169 169 LYS LYS A . n A 1 170 ARG 170 170 170 ARG ARG A . n A 1 171 ARG 171 171 171 ARG ARG A . n A 1 172 LEU 172 172 172 LEU LEU A . n A 1 173 ALA 173 173 173 ALA ALA A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 VAL 175 175 175 VAL VAL A . n A 1 176 ASN 176 176 176 ASN ASN A . n A 1 177 GLU 177 177 177 GLU GLU A . n A 1 178 ASN 178 178 178 ASN ASN A . n A 1 179 PRO 179 179 179 PRO PRO A . n A 1 180 LEU 180 180 180 LEU LEU A . n A 1 181 ASP 181 181 181 ASP ASP A . n A 1 182 VAL 182 182 182 VAL VAL A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 PHE 184 184 184 PHE PHE A . n A 1 185 GLN 185 185 185 GLN GLN A . n A 1 186 GLU 186 186 186 GLU GLU A . n A 1 187 VAL 187 187 187 VAL VAL A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1188 1188 NAG NAG A . C 3 HOH 1 2001 2001 HOH HOH A . C 3 HOH 2 2002 2002 HOH HOH A . C 3 HOH 3 2003 2003 HOH HOH A . C 3 HOH 4 2004 2004 HOH HOH A . C 3 HOH 5 2005 2005 HOH HOH A . C 3 HOH 6 2006 2006 HOH HOH A . C 3 HOH 7 2007 2007 HOH HOH A . C 3 HOH 8 2008 2008 HOH HOH A . C 3 HOH 9 2009 2009 HOH HOH A . C 3 HOH 10 2010 2010 HOH HOH A . C 3 HOH 11 2011 2011 HOH HOH A . C 3 HOH 12 2012 2012 HOH HOH A . C 3 HOH 13 2013 2013 HOH HOH A . C 3 HOH 14 2014 2014 HOH HOH A . C 3 HOH 15 2015 2015 HOH HOH A . C 3 HOH 16 2016 2016 HOH HOH A . C 3 HOH 17 2017 2017 HOH HOH A . C 3 HOH 18 2018 2018 HOH HOH A . C 3 HOH 19 2019 2019 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 19 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 19 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C # 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)' 2740 ? 1 MORE -11.5 ? 1 'SSA (A^2)' 17400 ? # 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' 8_554 -y,-x,-z-1/4 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -23.9750000000 # 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 2016-07-06 2 'Structure model' 1 1 2017-03-15 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 XDS 'data reduction' . ? 2 XSCALE 'data scaling' . ? 3 PHASER phasing . ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A ASP 181 ? ? O A HOH 2006 ? ? 1.71 2 1 OE2 A GLU 77 ? ? O A HOH 2001 ? ? 2.16 3 1 N A ILE 27 ? ? O A HOH 2006 ? ? 2.19 # 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 LEU A 32 ? ? -67.00 4.08 2 1 SER A 72 ? ? -78.58 -163.37 3 1 ASN A 86 ? ? -106.37 77.20 4 1 TYR A 96 ? ? -79.36 42.06 5 1 ASP A 123 ? ? -147.08 -127.35 6 1 LYS A 134 ? ? -113.26 -88.59 7 1 CYS A 142 ? ? -113.18 77.27 8 1 ARG A 151 ? ? 59.81 15.46 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C2 ? A NAG 1188 ? 'WRONG HAND' . 2 1 C3 ? A NAG 1188 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 1 ? A GLU 1 2 1 Y 1 A SER 2 ? A SER 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #