data_1G12 # _entry.id 1G12 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1G12 RCSB RCSB012100 WWPDB D_1000012100 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1GE5 '1GE5 contains the same enzyme with different crystal form.' unspecified PDB 1GE6 '1GE6 contains the same enzyme with different crystal form.' unspecified PDB 1GE7 '1GE7 contains the same enzyme with different crystal form.' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1G12 _pdbx_database_status.recvd_initial_deposition_date 2000-10-10 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _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 'Hori, T.' 1 'Kumasaka, T.' 2 'Yamamoto, M.' 3 'Nonaka, T.' 4 'Tanaka, N.' 5 'Hashimoto, Y.' 6 'Ueki, T.' 7 'Takio, K.' 8 # _citation.id primary _citation.title ;Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms. ; _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 57 _citation.page_first 361 _citation.page_last 368 _citation.year 2001 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 11223512 _citation.pdbx_database_id_DOI 10.1107/S0907444900019740 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Hori, T.' 1 primary 'Kumasaka, T.' 2 primary 'Yamamoto, M.' 3 primary 'Nonaka, N.' 4 primary 'Tanaka, N.' 5 primary 'Hashimoto, Y.' 6 primary 'Ueki, U.' 7 primary 'Takio, K.' 8 # _cell.entry_id 1G12 _cell.length_a 43.631 _cell.length_b 41.757 _cell.length_c 76.941 _cell.angle_alpha 90.00 _cell.angle_beta 95.48 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1G12 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'PEPTIDYL-LYS METALLOENDOPEPTIDASE' 18058.424 1 3.4.24.20 ? ? ? 2 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? 4 water nat water 18.015 201 ? ? ? ? # _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 ;TYNGCSSSEQSALAAAASAAQSYVAESLSYLQTHTAATPRYTTWFGSYISSRHSTVLQHYTDMNSNDFSSYSFDCTCTAA GTFAYVYPNRFGTVYLCGAFWKAPTTGTDSQAGTLVHESSHFTRNGGTKDYAYGQAAAKSLATMDPDKAVMNADNHEYFS ENNPAQS ; _entity_poly.pdbx_seq_one_letter_code_can ;TYNGCSSSEQSALAAAASAAQSYVAESLSYLQTHTAATPRYTTWFGSYISSRHSTVLQHYTDMNSNDFSSYSFDCTCTAA GTFAYVYPNRFGTVYLCGAFWKAPTTGTDSQAGTLVHESSHFTRNGGTKDYAYGQAAAKSLATMDPDKAVMNADNHEYFS ENNPAQS ; _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 THR n 1 2 TYR n 1 3 ASN n 1 4 GLY n 1 5 CYS n 1 6 SER n 1 7 SER n 1 8 SER n 1 9 GLU n 1 10 GLN n 1 11 SER n 1 12 ALA n 1 13 LEU n 1 14 ALA n 1 15 ALA n 1 16 ALA n 1 17 ALA n 1 18 SER n 1 19 ALA n 1 20 ALA n 1 21 GLN n 1 22 SER n 1 23 TYR n 1 24 VAL n 1 25 ALA n 1 26 GLU n 1 27 SER n 1 28 LEU n 1 29 SER n 1 30 TYR n 1 31 LEU n 1 32 GLN n 1 33 THR n 1 34 HIS n 1 35 THR n 1 36 ALA n 1 37 ALA n 1 38 THR n 1 39 PRO n 1 40 ARG n 1 41 TYR n 1 42 THR n 1 43 THR n 1 44 TRP n 1 45 PHE n 1 46 GLY n 1 47 SER n 1 48 TYR n 1 49 ILE n 1 50 SER n 1 51 SER n 1 52 ARG n 1 53 HIS n 1 54 SER n 1 55 THR n 1 56 VAL n 1 57 LEU n 1 58 GLN n 1 59 HIS n 1 60 TYR n 1 61 THR n 1 62 ASP n 1 63 MET n 1 64 ASN n 1 65 SER n 1 66 ASN n 1 67 ASP n 1 68 PHE n 1 69 SER n 1 70 SER n 1 71 TYR n 1 72 SER n 1 73 PHE n 1 74 ASP n 1 75 CYS n 1 76 THR n 1 77 CYS n 1 78 THR n 1 79 ALA n 1 80 ALA n 1 81 GLY n 1 82 THR n 1 83 PHE n 1 84 ALA n 1 85 TYR n 1 86 VAL n 1 87 TYR n 1 88 PRO n 1 89 ASN n 1 90 ARG n 1 91 PHE n 1 92 GLY n 1 93 THR n 1 94 VAL n 1 95 TYR n 1 96 LEU n 1 97 CYS n 1 98 GLY n 1 99 ALA n 1 100 PHE n 1 101 TRP n 1 102 LYS n 1 103 ALA n 1 104 PRO n 1 105 THR n 1 106 THR n 1 107 GLY n 1 108 THR n 1 109 ASP n 1 110 SER n 1 111 GLN n 1 112 ALA n 1 113 GLY n 1 114 THR n 1 115 LEU n 1 116 VAL n 1 117 HIS n 1 118 GLU n 1 119 SER n 1 120 SER n 1 121 HIS n 1 122 PHE n 1 123 THR n 1 124 ARG n 1 125 ASN n 1 126 GLY n 1 127 GLY n 1 128 THR n 1 129 LYS n 1 130 ASP n 1 131 TYR n 1 132 ALA n 1 133 TYR n 1 134 GLY n 1 135 GLN n 1 136 ALA n 1 137 ALA n 1 138 ALA n 1 139 LYS n 1 140 SER n 1 141 LEU n 1 142 ALA n 1 143 THR n 1 144 MET n 1 145 ASP n 1 146 PRO n 1 147 ASP n 1 148 LYS n 1 149 ALA n 1 150 VAL n 1 151 MET n 1 152 ASN n 1 153 ALA n 1 154 ASP n 1 155 ASN n 1 156 HIS n 1 157 GLU n 1 158 TYR n 1 159 PHE n 1 160 SER n 1 161 GLU n 1 162 ASN n 1 163 ASN n 1 164 PRO n 1 165 ALA n 1 166 GLN n 1 167 SER n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Grifola frondosa' _entity_src_nat.pdbx_ncbi_taxonomy_id 5627 _entity_src_nat.genus Grifola _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue 'FRUITING BODY' _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_code PLMP_GRIFR _struct_ref.db_name UNP _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P81054 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1G12 _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 167 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P81054 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 167 _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 167 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 1G12 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 36.31 _exptl_crystal.density_Matthews 1.93 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 7 _exptl_crystal_grow.temp 297 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details 'sodium chloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 297K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV' _diffrn_detector.pdbx_collection_date 1998-02-11 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.04 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL45XU' _diffrn_source.pdbx_wavelength 1.04 _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL45XU _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1G12 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 38.3 _reflns.d_resolution_high 1.6 _reflns.number_obs 96644 _reflns.number_all 96644 _reflns.percent_possible_obs 84.3 _reflns.pdbx_Rmerge_I_obs 0.069 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 21.4 _reflns.B_iso_Wilson_estimate 15.0 _reflns.pdbx_redundancy 6.3 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 1.6 _reflns_shell.d_res_low 1.66 _reflns_shell.percent_possible_obs ? _reflns_shell.percent_possible_all 40.9 _reflns_shell.Rmerge_I_obs 0.195 _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_redundancy 3.8 _reflns_shell.number_unique_all 749 _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 1G12 _refine.ls_number_reflns_obs 96644 _refine.ls_number_reflns_all 15467 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_d_res_low 38.3 _refine.ls_d_res_high 1.6 _refine.ls_percent_reflns_obs 84.3 _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.218 _refine.ls_R_factor_R_free 0.229 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free 777 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'ENGH & HUBER' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_ML ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.correlation_coeff_Fo_to_Fc ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _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 1271 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 12 _refine_hist.number_atoms_solvent 201 _refine_hist.number_atoms_total 1484 _refine_hist.d_res_high 1.6 _refine_hist.d_res_low 38.3 # 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 c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.06 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1G12 _struct.title 'ZINC PEPTIDASE FROM GRIFOLA FRONDOSA' _struct.pdbx_descriptor 'PEPTIDYL-LYS METALLOENDOPEPTIDASE(E.C.3.4.24.20)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1G12 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'zinc cordinate, METALLOPROTEASE, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 6 ? HIS A 34 ? SER A 6 HIS A 34 1 ? 29 HELX_P HELX_P2 2 THR A 38 ? GLY A 46 ? THR A 38 GLY A 46 1 ? 9 HELX_P HELX_P3 3 ILE A 49 ? SER A 65 ? ILE A 49 SER A 65 1 ? 17 HELX_P HELX_P4 4 ASN A 66 ? ASN A 66 ? ASN A 66 ASN A 66 5 ? 1 HELX_P HELX_P5 5 ASP A 67 ? TYR A 71 ? ASP A 67 TYR A 71 5 ? 5 HELX_P HELX_P6 6 GLY A 98 ? ALA A 103 ? GLY A 98 ALA A 103 5 ? 6 HELX_P HELX_P7 7 SER A 110 ? PHE A 122 ? SER A 110 PHE A 122 1 ? 13 HELX_P HELX_P8 8 THR A 123 ? GLY A 126 ? THR A 123 GLY A 126 5 ? 4 HELX_P HELX_P9 9 TYR A 133 ? ASP A 145 ? TYR A 133 ASP A 145 1 ? 13 HELX_P HELX_P10 10 ASP A 145 ? VAL A 150 ? ASP A 145 VAL A 150 1 ? 6 HELX_P HELX_P11 11 ASN A 152 ? ASN A 162 ? ASN A 152 ASN A 162 1 ? 11 # _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 5 SG ? ? ? 1_555 A CYS 75 SG ? ? A CYS 5 A CYS 75 1_555 ? ? ? ? ? ? ? 2.036 ? disulf2 disulf ? ? A CYS 77 SG ? ? ? 1_555 A CYS 97 SG ? ? A CYS 77 A CYS 97 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale ? ? A THR 42 OG1 ? ? ? 1_555 B MAN . C1 ? ? A THR 42 A MAN 900 1_555 ? ? ? ? ? ? ? 1.482 ? metalc1 metalc ? ? A HIS 117 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 117 A ZN 200 1_555 ? ? ? ? ? ? ? 1.996 ? metalc2 metalc ? ? A HIS 121 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 121 A ZN 200 1_555 ? ? ? ? ? ? ? 2.073 ? metalc3 metalc ? ? A ASP 130 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 130 A ZN 200 1_555 ? ? ? ? ? ? ? 2.140 ? metalc4 metalc ? ? C ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 200 A HOH 754 1_555 ? ? ? ? ? ? ? 2.279 ? metalc5 metalc ? ? C ZN . ZN ? ? ? 1_555 D HOH . O ? ? A ZN 200 A HOH 401 1_555 ? ? ? ? ? ? ? 2.258 ? metalc6 metalc ? ? C ZN . ZN ? ? ? 1_555 A ASP 130 OD2 ? ? A ZN 200 A ASP 130 1_555 ? ? ? ? ? ? ? 2.459 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ASN _struct_mon_prot_cis.label_seq_id 163 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ASN _struct_mon_prot_cis.auth_seq_id 163 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 164 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 164 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 0.12 # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 4 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel A 2 3 ? parallel A 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TYR A 2 ? ASN A 3 ? TYR A 2 ASN A 3 A 2 SER A 72 ? ASP A 74 ? SER A 72 ASP A 74 A 3 THR A 93 ? LEU A 96 ? THR A 93 LEU A 96 A 4 ALA A 84 ? TYR A 85 ? ALA A 84 TYR A 85 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ASN A 3 ? N ASN A 3 O PHE A 73 ? O PHE A 73 A 2 3 O SER A 72 ? O SER A 72 N VAL A 94 ? N VAL A 94 A 3 4 N TYR A 95 ? N TYR A 95 O TYR A 85 ? O TYR A 85 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 900' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN A 200' # 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 3 PRO A 39 ? PRO A 39 . ? 1_555 ? 2 AC1 3 THR A 42 ? THR A 42 . ? 1_555 ? 3 AC1 3 THR A 43 ? THR A 43 . ? 1_555 ? 4 AC2 5 HIS A 117 ? HIS A 117 . ? 1_555 ? 5 AC2 5 HIS A 121 ? HIS A 121 . ? 1_555 ? 6 AC2 5 ASP A 130 ? ASP A 130 . ? 1_555 ? 7 AC2 5 HOH D . ? HOH A 401 . ? 1_555 ? 8 AC2 5 HOH D . ? HOH A 754 . ? 1_555 ? # _database_PDB_matrix.entry_id 1G12 _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 1G12 _atom_sites.fract_transf_matrix[1][1] 0.022919 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002199 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.023948 _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] 0.013057 _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 ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . THR A 1 1 ? 3.579 -2.630 2.604 1.00 24.04 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 3.024 -1.658 1.619 1.00 23.98 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 3.523 -0.245 1.897 1.00 23.68 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 3.711 0.142 3.052 1.00 23.79 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 1.478 -1.637 1.657 1.00 24.24 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 1.034 -1.123 2.921 1.00 24.58 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 0.923 -3.041 1.470 1.00 24.43 ? 1 THR A CG2 1 ATOM 8 N N . TYR A 1 2 ? 3.758 0.516 0.832 1.00 23.20 ? 2 TYR A N 1 ATOM 9 C CA . TYR A 1 2 ? 4.207 1.897 0.967 1.00 22.72 ? 2 TYR A CA 1 ATOM 10 C C . TYR A 1 2 ? 2.998 2.815 0.842 1.00 22.53 ? 2 TYR A C 1 ATOM 11 O O . TYR A 1 2 ? 2.072 2.534 0.075 1.00 22.68 ? 2 TYR A O 1 ATOM 12 C CB . TYR A 1 2 ? 5.223 2.258 -0.120 1.00 22.61 ? 2 TYR A CB 1 ATOM 13 C CG . TYR A 1 2 ? 6.529 1.505 -0.043 1.00 22.43 ? 2 TYR A CG 1 ATOM 14 C CD1 . TYR A 1 2 ? 6.822 0.491 -0.954 1.00 22.45 ? 2 TYR A CD1 1 ATOM 15 C CD2 . TYR A 1 2 ? 7.485 1.819 0.924 1.00 22.42 ? 2 TYR A CD2 1 ATOM 16 C CE1 . TYR A 1 2 ? 8.032 -0.191 -0.907 1.00 22.38 ? 2 TYR A CE1 1 ATOM 17 C CE2 . TYR A 1 2 ? 8.699 1.143 0.979 1.00 22.28 ? 2 TYR A CE2 1 ATOM 18 C CZ . TYR A 1 2 ? 8.965 0.140 0.059 1.00 22.48 ? 2 TYR A CZ 1 ATOM 19 O OH . TYR A 1 2 ? 10.164 -0.529 0.095 1.00 22.53 ? 2 TYR A OH 1 ATOM 20 N N . ASN A 1 3 ? 3.000 3.898 1.610 1.00 22.23 ? 3 ASN A N 1 ATOM 21 C CA . ASN A 1 3 ? 1.911 4.864 1.575 1.00 21.86 ? 3 ASN A CA 1 ATOM 22 C C . ASN A 1 3 ? 2.473 6.280 1.506 1.00 21.58 ? 3 ASN A C 1 ATOM 23 O O . ASN A 1 3 ? 3.036 6.786 2.477 1.00 21.44 ? 3 ASN A O 1 ATOM 24 C CB . ASN A 1 3 ? 1.007 4.713 2.804 1.00 22.03 ? 3 ASN A CB 1 ATOM 25 C CG . ASN A 1 3 ? -0.228 5.596 2.732 1.00 22.16 ? 3 ASN A CG 1 ATOM 26 O OD1 . ASN A 1 3 ? -0.408 6.507 3.544 1.00 22.42 ? 3 ASN A OD1 1 ATOM 27 N ND2 . ASN A 1 3 ? -1.084 5.332 1.754 1.00 22.27 ? 3 ASN A ND2 1 ATOM 28 N N . GLY A 1 4 ? 2.328 6.908 0.343 1.00 21.28 ? 4 GLY A N 1 ATOM 29 C CA . GLY A 1 4 ? 2.820 8.262 0.160 1.00 21.06 ? 4 GLY A CA 1 ATOM 30 C C . GLY A 1 4 ? 4.331 8.370 0.039 1.00 20.92 ? 4 GLY A C 1 ATOM 31 O O . GLY A 1 4 ? 4.900 9.428 0.308 1.00 20.95 ? 4 GLY A O 1 ATOM 32 N N . CYS A 1 5 ? 4.983 7.279 -0.354 1.00 20.71 ? 5 CYS A N 1 ATOM 33 C CA . CYS A 1 5 ? 6.436 7.273 -0.505 1.00 20.44 ? 5 CYS A CA 1 ATOM 34 C C . CYS A 1 5 ? 6.856 7.334 -1.966 1.00 20.33 ? 5 CYS A C 1 ATOM 35 O O . CYS A 1 5 ? 6.381 6.551 -2.788 1.00 20.25 ? 5 CYS A O 1 ATOM 36 C CB . CYS A 1 5 ? 7.043 6.026 0.139 1.00 20.49 ? 5 CYS A CB 1 ATOM 37 S SG . CYS A 1 5 ? 6.609 5.802 1.892 1.00 20.43 ? 5 CYS A SG 1 ATOM 38 N N . SER A 1 6 ? 7.749 8.270 -2.277 1.00 20.15 ? 6 SER A N 1 ATOM 39 C CA . SER A 1 6 ? 8.258 8.434 -3.636 1.00 20.02 ? 6 SER A CA 1 ATOM 40 C C . SER A 1 6 ? 9.179 7.263 -3.954 1.00 19.88 ? 6 SER A C 1 ATOM 41 O O . SER A 1 6 ? 9.560 6.509 -3.058 1.00 19.86 ? 6 SER A O 1 ATOM 42 C CB . SER A 1 6 ? 9.038 9.744 -3.757 1.00 19.98 ? 6 SER A CB 1 ATOM 43 O OG . SER A 1 6 ? 10.203 9.723 -2.947 1.00 20.14 ? 6 SER A OG 1 ATOM 44 N N . SER A 1 7 ? 9.563 7.128 -5.219 1.00 19.74 ? 7 SER A N 1 ATOM 45 C CA . SER A 1 7 ? 10.443 6.040 -5.630 1.00 19.63 ? 7 SER A CA 1 ATOM 46 C C . SER A 1 7 ? 11.758 6.044 -4.850 1.00 19.44 ? 7 SER A C 1 ATOM 47 O O . SER A 1 7 ? 12.204 4.994 -4.383 1.00 19.28 ? 7 SER A O 1 ATOM 48 C CB . SER A 1 7 ? 10.719 6.105 -7.133 1.00 19.76 ? 7 SER A CB 1 ATOM 49 O OG . SER A 1 7 ? 11.366 7.311 -7.483 1.00 20.05 ? 7 SER A OG 1 ATOM 50 N N . SER A 1 8 ? 12.355 7.223 -4.679 1.00 19.28 ? 8 SER A N 1 ATOM 51 C CA . SER A 1 8 ? 13.616 7.333 -3.943 1.00 19.25 ? 8 SER A CA 1 ATOM 52 C C . SER A 1 8 ? 13.434 6.923 -2.487 1.00 19.03 ? 8 SER A C 1 ATOM 53 O O . SER A 1 8 ? 14.297 6.263 -1.909 1.00 19.07 ? 8 SER A O 1 ATOM 54 C CB . SER A 1 8 ? 14.188 8.754 -4.012 1.00 19.57 ? 8 SER A CB 1 ATOM 55 O OG . SER A 1 8 ? 13.320 9.705 -3.417 1.00 19.98 ? 8 SER A OG 1 ATOM 56 N N . GLU A 1 9 ? 12.300 7.298 -1.905 1.00 18.72 ? 9 GLU A N 1 ATOM 57 C CA . GLU A 1 9 ? 12.019 6.958 -0.514 1.00 18.49 ? 9 GLU A CA 1 ATOM 58 C C . GLU A 1 9 ? 11.839 5.453 -0.339 1.00 18.30 ? 9 GLU A C 1 ATOM 59 O O . GLU A 1 9 ? 12.296 4.878 0.650 1.00 18.26 ? 9 GLU A O 1 ATOM 60 C CB . GLU A 1 9 ? 10.797 7.732 -0.015 1.00 18.33 ? 9 GLU A CB 1 ATOM 61 C CG . GLU A 1 9 ? 11.039 9.238 0.030 1.00 18.51 ? 9 GLU A CG 1 ATOM 62 C CD . GLU A 1 9 ? 9.828 10.044 0.468 1.00 18.53 ? 9 GLU A CD 1 ATOM 63 O OE1 . GLU A 1 9 ? 10.019 11.046 1.187 1.00 18.80 ? 9 GLU A OE1 1 ATOM 64 O OE2 . GLU A 1 9 ? 8.692 9.691 0.089 1.00 18.52 ? 9 GLU A OE2 1 ATOM 65 N N . GLN A 1 10 ? 11.207 4.813 -1.320 1.00 18.21 ? 10 GLN A N 1 ATOM 66 C CA . GLN A 1 10 ? 10.989 3.369 -1.282 1.00 18.13 ? 10 GLN A CA 1 ATOM 67 C C . GLN A 1 10 ? 12.322 2.633 -1.350 1.00 18.06 ? 10 GLN A C 1 ATOM 68 O O . GLN A 1 10 ? 12.536 1.653 -0.636 1.00 18.04 ? 10 GLN A O 1 ATOM 69 C CB . GLN A 1 10 ? 10.098 2.930 -2.446 1.00 18.42 ? 10 GLN A CB 1 ATOM 70 C CG . GLN A 1 10 ? 8.688 3.488 -2.378 1.00 18.70 ? 10 GLN A CG 1 ATOM 71 C CD . GLN A 1 10 ? 7.834 3.081 -3.565 1.00 19.00 ? 10 GLN A CD 1 ATOM 72 O OE1 . GLN A 1 10 ? 7.951 1.970 -4.082 1.00 19.18 ? 10 GLN A OE1 1 ATOM 73 N NE2 . GLN A 1 10 ? 6.965 3.986 -4.002 1.00 19.20 ? 10 GLN A NE2 1 ATOM 74 N N . SER A 1 11 ? 13.220 3.130 -2.197 1.00 17.95 ? 11 SER A N 1 ATOM 75 C CA . SER A 1 11 ? 14.541 2.536 -2.366 1.00 17.82 ? 11 SER A CA 1 ATOM 76 C C . SER A 1 11 ? 15.359 2.669 -1.087 1.00 17.42 ? 11 SER A C 1 ATOM 77 O O . SER A 1 11 ? 16.041 1.728 -0.680 1.00 17.47 ? 11 SER A O 1 ATOM 78 C CB . SER A 1 11 ? 15.271 3.198 -3.535 1.00 18.09 ? 11 SER A CB 1 ATOM 79 O OG . SER A 1 11 ? 14.530 3.040 -4.734 1.00 19.13 ? 11 SER A OG 1 ATOM 80 N N . ALA A 1 12 ? 15.287 3.843 -0.463 1.00 17.02 ? 12 ALA A N 1 ATOM 81 C CA . ALA A 1 12 ? 16.009 4.106 0.780 1.00 16.65 ? 12 ALA A CA 1 ATOM 82 C C . ALA A 1 12 ? 15.462 3.228 1.903 1.00 16.54 ? 12 ALA A C 1 ATOM 83 O O . ALA A 1 12 ? 16.225 2.698 2.716 1.00 16.44 ? 12 ALA A O 1 ATOM 84 C CB . ALA A 1 12 ? 15.895 5.576 1.158 1.00 16.74 ? 12 ALA A CB 1 ATOM 85 N N . LEU A 1 13 ? 14.142 3.064 1.933 1.00 16.13 ? 13 LEU A N 1 ATOM 86 C CA . LEU A 1 13 ? 13.498 2.238 2.950 1.00 15.84 ? 13 LEU A CA 1 ATOM 87 C C . LEU A 1 13 ? 13.879 0.771 2.798 1.00 15.71 ? 13 LEU A C 1 ATOM 88 O O . LEU A 1 13 ? 14.093 0.076 3.789 1.00 15.62 ? 13 LEU A O 1 ATOM 89 C CB . LEU A 1 13 ? 11.979 2.408 2.898 1.00 15.77 ? 13 LEU A CB 1 ATOM 90 C CG . LEU A 1 13 ? 11.491 3.712 3.526 1.00 15.67 ? 13 LEU A CG 1 ATOM 91 C CD1 . LEU A 1 13 ? 10.038 3.960 3.164 1.00 15.80 ? 13 LEU A CD1 1 ATOM 92 C CD2 . LEU A 1 13 ? 11.680 3.650 5.038 1.00 15.78 ? 13 LEU A CD2 1 ATOM 93 N N . ALA A 1 14 ? 13.972 0.309 1.553 1.00 15.50 ? 14 ALA A N 1 ATOM 94 C CA . ALA A 1 14 ? 14.343 -1.074 1.276 1.00 15.44 ? 14 ALA A CA 1 ATOM 95 C C . ALA A 1 14 ? 15.736 -1.362 1.839 1.00 15.27 ? 14 ALA A C 1 ATOM 96 O O . ALA A 1 14 ? 15.963 -2.405 2.460 1.00 15.39 ? 14 ALA A O 1 ATOM 97 C CB . ALA A 1 14 ? 14.312 -1.338 -0.234 1.00 15.50 ? 14 ALA A CB 1 ATOM 98 N N . ALA A 1 15 ? 16.656 -0.423 1.637 1.00 15.12 ? 15 ALA A N 1 ATOM 99 C CA . ALA A 1 15 ? 18.026 -0.566 2.125 1.00 14.66 ? 15 ALA A CA 1 ATOM 100 C C . ALA A 1 15 ? 18.055 -0.477 3.647 1.00 14.45 ? 15 ALA A C 1 ATOM 101 O O . ALA A 1 15 ? 18.721 -1.275 4.315 1.00 14.46 ? 15 ALA A O 1 ATOM 102 C CB . ALA A 1 15 ? 18.917 0.507 1.522 1.00 14.83 ? 15 ALA A CB 1 ATOM 103 N N . ALA A 1 16 ? 17.299 0.472 4.189 1.00 14.01 ? 16 ALA A N 1 ATOM 104 C CA . ALA A 1 16 ? 17.235 0.672 5.634 1.00 13.73 ? 16 ALA A CA 1 ATOM 105 C C . ALA A 1 16 ? 16.646 -0.538 6.356 1.00 13.61 ? 16 ALA A C 1 ATOM 106 O O . ALA A 1 16 ? 17.142 -0.932 7.411 1.00 13.38 ? 16 ALA A O 1 ATOM 107 C CB . ALA A 1 16 ? 16.437 1.928 5.960 1.00 13.74 ? 16 ALA A CB 1 ATOM 108 N N . ALA A 1 17 ? 15.604 -1.134 5.775 1.00 13.46 ? 17 ALA A N 1 ATOM 109 C CA . ALA A 1 17 ? 14.948 -2.304 6.361 1.00 13.42 ? 17 ALA A CA 1 ATOM 110 C C . ALA A 1 17 ? 15.898 -3.494 6.461 1.00 13.52 ? 17 ALA A C 1 ATOM 111 O O . ALA A 1 17 ? 15.944 -4.178 7.489 1.00 13.47 ? 17 ALA A O 1 ATOM 112 C CB . ALA A 1 17 ? 13.713 -2.681 5.545 1.00 13.56 ? 17 ALA A CB 1 ATOM 113 N N . SER A 1 18 ? 16.673 -3.718 5.405 1.00 13.48 ? 18 SER A N 1 ATOM 114 C CA . SER A 1 18 ? 17.632 -4.821 5.369 1.00 13.58 ? 18 SER A CA 1 ATOM 115 C C . SER A 1 18 ? 18.761 -4.583 6.372 1.00 13.27 ? 18 SER A C 1 ATOM 116 O O . SER A 1 18 ? 19.212 -5.512 7.044 1.00 13.06 ? 18 SER A O 1 ATOM 117 C CB . SER A 1 18 ? 18.216 -4.976 3.961 1.00 13.98 ? 18 SER A CB 1 ATOM 118 O OG . SER A 1 18 ? 17.196 -5.274 3.025 1.00 15.39 ? 18 SER A OG 1 ATOM 119 N N . ALA A 1 19 ? 19.213 -3.336 6.459 1.00 13.02 ? 19 ALA A N 1 ATOM 120 C CA . ALA A 1 19 ? 20.278 -2.977 7.383 1.00 12.90 ? 19 ALA A CA 1 ATOM 121 C C . ALA A 1 19 ? 19.779 -3.101 8.821 1.00 12.69 ? 19 ALA A C 1 ATOM 122 O O . ALA A 1 19 ? 20.514 -3.544 9.701 1.00 12.75 ? 19 ALA A O 1 ATOM 123 C CB . ALA A 1 19 ? 20.772 -1.568 7.104 1.00 12.85 ? 19 ALA A CB 1 ATOM 124 N N . ALA A 1 20 ? 18.521 -2.729 9.049 1.00 12.55 ? 20 ALA A N 1 ATOM 125 C CA . ALA A 1 20 ? 17.933 -2.819 10.383 1.00 12.31 ? 20 ALA A CA 1 ATOM 126 C C . ALA A 1 20 ? 17.840 -4.284 10.813 1.00 12.20 ? 20 ALA A C 1 ATOM 127 O O . ALA A 1 20 ? 18.100 -4.616 11.972 1.00 11.89 ? 20 ALA A O 1 ATOM 128 C CB . ALA A 1 20 ? 16.553 -2.160 10.405 1.00 12.31 ? 20 ALA A CB 1 ATOM 129 N N . GLN A 1 21 ? 17.500 -5.166 9.871 1.00 12.17 ? 21 GLN A N 1 ATOM 130 C CA . GLN A 1 21 ? 17.401 -6.594 10.165 1.00 12.16 ? 21 GLN A CA 1 ATOM 131 C C . GLN A 1 21 ? 18.776 -7.105 10.595 1.00 12.22 ? 21 GLN A C 1 ATOM 132 O O . GLN A 1 21 ? 18.891 -7.887 11.541 1.00 11.95 ? 21 GLN A O 1 ATOM 133 C CB . GLN A 1 21 ? 16.927 -7.368 8.932 1.00 12.34 ? 21 GLN A CB 1 ATOM 134 C CG . GLN A 1 21 ? 16.423 -8.771 9.231 1.00 12.30 ? 21 GLN A CG 1 ATOM 135 C CD . GLN A 1 21 ? 14.994 -8.781 9.730 1.00 12.37 ? 21 GLN A CD 1 ATOM 136 O OE1 . GLN A 1 21 ? 14.079 -8.374 9.017 1.00 12.89 ? 21 GLN A OE1 1 ATOM 137 N NE2 . GLN A 1 21 ? 14.791 -9.262 10.952 1.00 12.25 ? 21 GLN A NE2 1 ATOM 138 N N . SER A 1 22 ? 19.815 -6.624 9.910 1.00 12.23 ? 22 SER A N 1 ATOM 139 C CA . SER A 1 22 ? 21.196 -7.001 10.210 1.00 12.31 ? 22 SER A CA 1 ATOM 140 C C . SER A 1 22 ? 21.592 -6.495 11.596 1.00 12.15 ? 22 SER A C 1 ATOM 141 O O . SER A 1 22 ? 22.227 -7.221 12.367 1.00 12.14 ? 22 SER A O 1 ATOM 142 C CB . SER A 1 22 ? 22.149 -6.432 9.150 1.00 12.65 ? 22 SER A CB 1 ATOM 143 O OG . SER A 1 22 ? 23.494 -6.781 9.431 1.00 13.53 ? 22 SER A OG 1 ATOM 144 N N . TYR A 1 23 ? 21.214 -5.252 11.902 1.00 12.01 ? 23 TYR A N 1 ATOM 145 C CA . TYR A 1 23 ? 21.502 -4.637 13.201 1.00 12.01 ? 23 TYR A CA 1 ATOM 146 C C . TYR A 1 23 ? 20.918 -5.488 14.326 1.00 11.88 ? 23 TYR A C 1 ATOM 147 O O . TYR A 1 23 ? 21.609 -5.818 15.288 1.00 11.92 ? 23 TYR A O 1 ATOM 148 C CB . TYR A 1 23 ? 20.891 -3.232 13.287 1.00 12.06 ? 23 TYR A CB 1 ATOM 149 C CG . TYR A 1 23 ? 21.782 -2.092 12.837 1.00 12.29 ? 23 TYR A CG 1 ATOM 150 C CD1 . TYR A 1 23 ? 23.173 -2.211 12.836 1.00 12.54 ? 23 TYR A CD1 1 ATOM 151 C CD2 . TYR A 1 23 ? 21.228 -0.872 12.460 1.00 12.46 ? 23 TYR A CD2 1 ATOM 152 C CE1 . TYR A 1 23 ? 23.992 -1.132 12.474 1.00 12.53 ? 23 TYR A CE1 1 ATOM 153 C CE2 . TYR A 1 23 ? 22.035 0.209 12.094 1.00 12.65 ? 23 TYR A CE2 1 ATOM 154 C CZ . TYR A 1 23 ? 23.409 0.073 12.103 1.00 12.61 ? 23 TYR A CZ 1 ATOM 155 O OH . TYR A 1 23 ? 24.197 1.137 11.730 1.00 12.73 ? 23 TYR A OH 1 ATOM 156 N N . VAL A 1 24 ? 19.638 -5.823 14.199 1.00 11.79 ? 24 VAL A N 1 ATOM 157 C CA . VAL A 1 24 ? 18.950 -6.635 15.198 1.00 11.65 ? 24 VAL A CA 1 ATOM 158 C C . VAL A 1 24 ? 19.577 -8.023 15.327 1.00 11.62 ? 24 VAL A C 1 ATOM 159 O O . VAL A 1 24 ? 19.769 -8.519 16.439 1.00 11.67 ? 24 VAL A O 1 ATOM 160 C CB . VAL A 1 24 ? 17.440 -6.760 14.878 1.00 11.72 ? 24 VAL A CB 1 ATOM 161 C CG1 . VAL A 1 24 ? 16.786 -7.775 15.802 1.00 11.82 ? 24 VAL A CG1 1 ATOM 162 C CG2 . VAL A 1 24 ? 16.763 -5.399 15.020 1.00 11.77 ? 24 VAL A CG2 1 ATOM 163 N N . ALA A 1 25 ? 19.931 -8.624 14.191 1.00 11.55 ? 25 ALA A N 1 ATOM 164 C CA . ALA A 1 25 ? 20.545 -9.951 14.177 1.00 11.59 ? 25 ALA A CA 1 ATOM 165 C C . ALA A 1 25 ? 21.868 -9.968 14.943 1.00 11.51 ? 25 ALA A C 1 ATOM 166 O O . ALA A 1 25 ? 22.094 -10.823 15.811 1.00 11.58 ? 25 ALA A O 1 ATOM 167 C CB . ALA A 1 25 ? 20.762 -10.413 12.734 1.00 11.62 ? 25 ALA A CB 1 ATOM 168 N N . GLU A 1 26 ? 22.727 -9.005 14.632 1.00 11.36 ? 26 GLU A N 1 ATOM 169 C CA . GLU A 1 26 ? 24.031 -8.896 15.274 1.00 11.39 ? 26 GLU A CA 1 ATOM 170 C C . GLU A 1 26 ? 23.884 -8.562 16.757 1.00 11.08 ? 26 GLU A C 1 ATOM 171 O O . GLU A 1 26 ? 24.605 -9.103 17.599 1.00 11.03 ? 26 GLU A O 1 ATOM 172 C CB . GLU A 1 26 ? 24.877 -7.843 14.548 1.00 12.00 ? 26 GLU A CB 1 ATOM 173 C CG . GLU A 1 26 ? 26.334 -7.758 14.990 1.00 13.10 ? 26 GLU A CG 1 ATOM 174 C CD . GLU A 1 26 ? 26.540 -6.880 16.209 1.00 13.73 ? 26 GLU A CD 1 ATOM 175 O OE1 . GLU A 1 26 ? 25.753 -5.925 16.405 1.00 14.07 ? 26 GLU A OE1 1 ATOM 176 O OE2 . GLU A 1 26 ? 27.498 -7.147 16.968 1.00 14.55 ? 26 GLU A OE2 1 ATOM 177 N N . SER A 1 27 ? 22.933 -7.688 17.074 1.00 10.76 ? 27 SER A N 1 ATOM 178 C CA . SER A 1 27 ? 22.686 -7.296 18.458 1.00 10.50 ? 27 SER A CA 1 ATOM 179 C C . SER A 1 27 ? 22.206 -8.478 19.286 1.00 10.26 ? 27 SER A C 1 ATOM 180 O O . SER A 1 27 ? 22.607 -8.637 20.439 1.00 10.05 ? 27 SER A O 1 ATOM 181 C CB . SER A 1 27 ? 21.646 -6.178 18.527 1.00 10.38 ? 27 SER A CB 1 ATOM 182 O OG . SER A 1 27 ? 22.098 -5.014 17.864 1.00 10.40 ? 27 SER A OG 1 ATOM 183 N N . LEU A 1 28 ? 21.309 -9.279 18.713 1.00 10.16 ? 28 LEU A N 1 ATOM 184 C CA . LEU A 1 28 ? 20.785 -10.450 19.406 1.00 10.20 ? 28 LEU A CA 1 ATOM 185 C C . LEU A 1 28 ? 21.926 -11.414 19.688 1.00 10.16 ? 28 LEU A C 1 ATOM 186 O O . LEU A 1 28 ? 22.060 -11.911 20.805 1.00 10.28 ? 28 LEU A O 1 ATOM 187 C CB . LEU A 1 28 ? 19.704 -11.147 18.576 1.00 10.20 ? 28 LEU A CB 1 ATOM 188 C CG . LEU A 1 28 ? 19.245 -12.514 19.094 1.00 10.06 ? 28 LEU A CG 1 ATOM 189 C CD1 . LEU A 1 28 ? 18.690 -12.410 20.502 1.00 10.08 ? 28 LEU A CD1 1 ATOM 190 C CD2 . LEU A 1 28 ? 18.212 -13.102 18.148 1.00 10.20 ? 28 LEU A CD2 1 ATOM 191 N N . SER A 1 29 ? 22.762 -11.646 18.679 1.00 10.11 ? 29 SER A N 1 ATOM 192 C CA . SER A 1 29 ? 23.901 -12.541 18.831 1.00 10.26 ? 29 SER A CA 1 ATOM 193 C C . SER A 1 29 ? 24.812 -12.050 19.946 1.00 10.21 ? 29 SER A C 1 ATOM 194 O O . SER A 1 29 ? 25.270 -12.836 20.774 1.00 10.48 ? 29 SER A O 1 ATOM 195 C CB . SER A 1 29 ? 24.698 -12.627 17.538 1.00 10.17 ? 29 SER A CB 1 ATOM 196 O OG . SER A 1 29 ? 25.936 -13.282 17.776 1.00 10.27 ? 29 SER A OG 1 ATOM 197 N N . TYR A 1 30 ? 25.064 -10.745 19.971 1.00 10.27 ? 30 TYR A N 1 ATOM 198 C CA . TYR A 1 30 ? 25.925 -10.173 20.997 1.00 10.34 ? 30 TYR A CA 1 ATOM 199 C C . TYR A 1 30 ? 25.387 -10.491 22.389 1.00 10.38 ? 30 TYR A C 1 ATOM 200 O O . TYR A 1 30 ? 26.123 -10.963 23.259 1.00 10.11 ? 30 TYR A O 1 ATOM 201 C CB . TYR A 1 30 ? 26.048 -8.658 20.807 1.00 10.44 ? 30 TYR A CB 1 ATOM 202 C CG . TYR A 1 30 ? 27.020 -8.010 21.767 1.00 10.44 ? 30 TYR A CG 1 ATOM 203 C CD1 . TYR A 1 30 ? 28.301 -7.660 21.352 1.00 10.64 ? 30 TYR A CD1 1 ATOM 204 C CD2 . TYR A 1 30 ? 26.671 -7.781 23.099 1.00 10.62 ? 30 TYR A CD2 1 ATOM 205 C CE1 . TYR A 1 30 ? 29.212 -7.101 22.240 1.00 10.79 ? 30 TYR A CE1 1 ATOM 206 C CE2 . TYR A 1 30 ? 27.573 -7.228 23.993 1.00 10.92 ? 30 TYR A CE2 1 ATOM 207 C CZ . TYR A 1 30 ? 28.840 -6.892 23.559 1.00 11.03 ? 30 TYR A CZ 1 ATOM 208 O OH . TYR A 1 30 ? 29.741 -6.364 24.448 1.00 11.08 ? 30 TYR A OH 1 ATOM 209 N N . LEU A 1 31 ? 24.097 -10.245 22.592 1.00 10.48 ? 31 LEU A N 1 ATOM 210 C CA . LEU A 1 31 ? 23.475 -10.495 23.883 1.00 10.83 ? 31 LEU A CA 1 ATOM 211 C C . LEU A 1 31 ? 23.494 -11.969 24.277 1.00 11.08 ? 31 LEU A C 1 ATOM 212 O O . LEU A 1 31 ? 23.551 -12.298 25.457 1.00 11.14 ? 31 LEU A O 1 ATOM 213 C CB . LEU A 1 31 ? 22.050 -9.939 23.896 1.00 10.66 ? 31 LEU A CB 1 ATOM 214 C CG . LEU A 1 31 ? 22.008 -8.413 23.798 1.00 10.69 ? 31 LEU A CG 1 ATOM 215 C CD1 . LEU A 1 31 ? 20.605 -7.938 23.490 1.00 10.79 ? 31 LEU A CD1 1 ATOM 216 C CD2 . LEU A 1 31 ? 22.522 -7.802 25.095 1.00 10.79 ? 31 LEU A CD2 1 ATOM 217 N N . GLN A 1 32 ? 23.487 -12.855 23.287 1.00 11.33 ? 32 GLN A N 1 ATOM 218 C CA . GLN A 1 32 ? 23.513 -14.288 23.563 1.00 11.75 ? 32 GLN A CA 1 ATOM 219 C C . GLN A 1 32 ? 24.884 -14.807 23.967 1.00 11.96 ? 32 GLN A C 1 ATOM 220 O O . GLN A 1 32 ? 24.982 -15.764 24.735 1.00 11.89 ? 32 GLN A O 1 ATOM 221 C CB . GLN A 1 32 ? 23.020 -15.078 22.352 1.00 12.05 ? 32 GLN A CB 1 ATOM 222 C CG . GLN A 1 32 ? 21.544 -14.889 22.078 1.00 12.32 ? 32 GLN A CG 1 ATOM 223 C CD . GLN A 1 32 ? 21.040 -15.761 20.953 1.00 12.81 ? 32 GLN A CD 1 ATOM 224 O OE1 . GLN A 1 32 ? 21.820 -16.290 20.161 1.00 13.43 ? 32 GLN A OE1 1 ATOM 225 N NE2 . GLN A 1 32 ? 19.723 -15.902 20.865 1.00 12.81 ? 32 GLN A NE2 1 ATOM 226 N N . THR A 1 33 ? 25.937 -14.158 23.475 1.00 12.08 ? 33 THR A N 1 ATOM 227 C CA . THR A 1 33 ? 27.298 -14.597 23.765 1.00 12.41 ? 33 THR A CA 1 ATOM 228 C C . THR A 1 33 ? 28.016 -13.826 24.863 1.00 12.65 ? 33 THR A C 1 ATOM 229 O O . THR A 1 33 ? 29.081 -14.238 25.315 1.00 12.86 ? 33 THR A O 1 ATOM 230 C CB . THR A 1 33 ? 28.165 -14.597 22.495 1.00 12.48 ? 33 THR A CB 1 ATOM 231 O OG1 . THR A 1 33 ? 28.238 -13.270 21.964 1.00 12.45 ? 33 THR A OG1 1 ATOM 232 C CG2 . THR A 1 33 ? 27.576 -15.534 21.453 1.00 12.54 ? 33 THR A CG2 1 ATOM 233 N N . HIS A 1 34 ? 27.458 -12.691 25.261 1.00 12.86 ? 34 HIS A N 1 ATOM 234 C CA . HIS A 1 34 ? 28.055 -11.894 26.326 1.00 13.20 ? 34 HIS A CA 1 ATOM 235 C C . HIS A 1 34 ? 27.113 -11.946 27.514 1.00 13.62 ? 34 HIS A C 1 ATOM 236 O O . HIS A 1 34 ? 26.040 -11.338 27.498 1.00 13.86 ? 34 HIS A O 1 ATOM 237 C CB . HIS A 1 34 ? 28.270 -10.449 25.885 1.00 13.10 ? 34 HIS A CB 1 ATOM 238 C CG . HIS A 1 34 ? 29.220 -10.302 24.737 1.00 12.88 ? 34 HIS A CG 1 ATOM 239 N ND1 . HIS A 1 34 ? 28.875 -10.626 23.444 1.00 12.75 ? 34 HIS A ND1 1 ATOM 240 C CD2 . HIS A 1 34 ? 30.492 -9.842 24.682 1.00 13.04 ? 34 HIS A CD2 1 ATOM 241 C CE1 . HIS A 1 34 ? 29.890 -10.369 22.640 1.00 12.89 ? 34 HIS A CE1 1 ATOM 242 N NE2 . HIS A 1 34 ? 30.885 -9.892 23.367 1.00 12.70 ? 34 HIS A NE2 1 ATOM 243 N N . THR A 1 35 ? 27.504 -12.704 28.531 1.00 13.86 ? 35 THR A N 1 ATOM 244 C CA . THR A 1 35 ? 26.679 -12.859 29.719 1.00 14.29 ? 35 THR A CA 1 ATOM 245 C C . THR A 1 35 ? 27.336 -12.292 30.969 1.00 14.28 ? 35 THR A C 1 ATOM 246 O O . THR A 1 35 ? 27.163 -12.802 32.075 1.00 14.51 ? 35 THR A O 1 ATOM 247 C CB . THR A 1 35 ? 26.295 -14.331 29.931 1.00 14.51 ? 35 THR A CB 1 ATOM 248 O OG1 . THR A 1 35 ? 27.482 -15.131 29.943 1.00 15.01 ? 35 THR A OG1 1 ATOM 249 C CG2 . THR A 1 35 ? 25.374 -14.802 28.808 1.00 15.02 ? 35 THR A CG2 1 ATOM 250 N N . ALA A 1 36 ? 28.089 -11.218 30.767 1.00 14.48 ? 36 ALA A N 1 ATOM 251 C CA . ALA A 1 36 ? 28.776 -10.505 31.830 1.00 14.41 ? 36 ALA A CA 1 ATOM 252 C C . ALA A 1 36 ? 29.017 -9.096 31.309 1.00 14.32 ? 36 ALA A C 1 ATOM 253 O O . ALA A 1 36 ? 28.897 -8.840 30.106 1.00 14.37 ? 36 ALA A O 1 ATOM 254 C CB . ALA A 1 36 ? 30.094 -11.185 32.181 1.00 14.47 ? 36 ALA A CB 1 ATOM 255 N N . ALA A 1 37 ? 29.340 -8.183 32.217 1.00 14.21 ? 37 ALA A N 1 ATOM 256 C CA . ALA A 1 37 ? 29.575 -6.789 31.867 1.00 14.00 ? 37 ALA A CA 1 ATOM 257 C C . ALA A 1 37 ? 30.629 -6.575 30.783 1.00 13.92 ? 37 ALA A C 1 ATOM 258 O O . ALA A 1 37 ? 31.703 -7.171 30.819 1.00 13.92 ? 37 ALA A O 1 ATOM 259 C CB . ALA A 1 37 ? 29.938 -5.995 33.116 1.00 14.10 ? 37 ALA A CB 1 ATOM 260 N N . THR A 1 38 ? 30.286 -5.735 29.809 1.00 13.75 ? 38 THR A N 1 ATOM 261 C CA . THR A 1 38 ? 31.168 -5.371 28.698 1.00 13.64 ? 38 THR A CA 1 ATOM 262 C C . THR A 1 38 ? 30.893 -3.897 28.395 1.00 13.52 ? 38 THR A C 1 ATOM 263 O O . THR A 1 38 ? 29.816 -3.389 28.719 1.00 13.27 ? 38 THR A O 1 ATOM 264 C CB . THR A 1 38 ? 30.869 -6.186 27.419 1.00 13.82 ? 38 THR A CB 1 ATOM 265 O OG1 . THR A 1 38 ? 29.517 -5.949 27.005 1.00 14.40 ? 38 THR A OG1 1 ATOM 266 C CG2 . THR A 1 38 ? 31.088 -7.675 27.653 1.00 13.90 ? 38 THR A CG2 1 ATOM 267 N N . PRO A 1 39 ? 31.849 -3.196 27.758 1.00 13.37 ? 39 PRO A N 1 ATOM 268 C CA . PRO A 1 39 ? 31.669 -1.776 27.430 1.00 13.24 ? 39 PRO A CA 1 ATOM 269 C C . PRO A 1 39 ? 30.405 -1.466 26.625 1.00 12.96 ? 39 PRO A C 1 ATOM 270 O O . PRO A 1 39 ? 29.615 -0.601 27.009 1.00 13.18 ? 39 PRO A O 1 ATOM 271 C CB . PRO A 1 39 ? 32.931 -1.450 26.633 1.00 13.38 ? 39 PRO A CB 1 ATOM 272 C CG . PRO A 1 39 ? 33.957 -2.345 27.255 1.00 13.58 ? 39 PRO A CG 1 ATOM 273 C CD . PRO A 1 39 ? 33.205 -3.648 27.389 1.00 13.43 ? 39 PRO A CD 1 ATOM 274 N N . ARG A 1 40 ? 30.189 -2.206 25.543 1.00 12.63 ? 40 ARG A N 1 ATOM 275 C CA . ARG A 1 40 ? 29.023 -1.982 24.690 1.00 12.11 ? 40 ARG A CA 1 ATOM 276 C C . ARG A 1 40 ? 27.712 -2.144 25.451 1.00 12.01 ? 40 ARG A C 1 ATOM 277 O O . ARG A 1 40 ? 26.778 -1.363 25.261 1.00 11.87 ? 40 ARG A O 1 ATOM 278 C CB . ARG A 1 40 ? 29.049 -2.925 23.493 1.00 11.80 ? 40 ARG A CB 1 ATOM 279 C CG . ARG A 1 40 ? 27.973 -2.647 22.465 1.00 11.35 ? 40 ARG A CG 1 ATOM 280 C CD . ARG A 1 40 ? 28.122 -3.601 21.312 1.00 11.16 ? 40 ARG A CD 1 ATOM 281 N NE . ARG A 1 40 ? 26.989 -3.532 20.394 1.00 11.11 ? 40 ARG A NE 1 ATOM 282 C CZ . ARG A 1 40 ? 26.843 -4.331 19.343 1.00 11.01 ? 40 ARG A CZ 1 ATOM 283 N NH1 . ARG A 1 40 ? 27.761 -5.252 19.074 1.00 10.91 ? 40 ARG A NH1 1 ATOM 284 N NH2 . ARG A 1 40 ? 25.766 -4.231 18.582 1.00 10.84 ? 40 ARG A NH2 1 ATOM 285 N N . TYR A 1 41 ? 27.646 -3.148 26.317 1.00 11.89 ? 41 TYR A N 1 ATOM 286 C CA . TYR A 1 41 ? 26.436 -3.375 27.098 1.00 12.06 ? 41 TYR A CA 1 ATOM 287 C C . TYR A 1 41 ? 26.189 -2.295 28.151 1.00 12.35 ? 41 TYR A C 1 ATOM 288 O O . TYR A 1 41 ? 25.144 -1.655 28.145 1.00 11.96 ? 41 TYR A O 1 ATOM 289 C CB . TYR A 1 41 ? 26.461 -4.749 27.784 1.00 11.80 ? 41 TYR A CB 1 ATOM 290 C CG . TYR A 1 41 ? 25.214 -5.021 28.609 1.00 11.48 ? 41 TYR A CG 1 ATOM 291 C CD1 . TYR A 1 41 ? 24.143 -5.743 28.078 1.00 11.50 ? 41 TYR A CD1 1 ATOM 292 C CD2 . TYR A 1 41 ? 25.086 -4.516 29.905 1.00 11.45 ? 41 TYR A CD2 1 ATOM 293 C CE1 . TYR A 1 41 ? 22.975 -5.948 28.817 1.00 11.33 ? 41 TYR A CE1 1 ATOM 294 C CE2 . TYR A 1 41 ? 23.928 -4.712 30.647 1.00 11.31 ? 41 TYR A CE2 1 ATOM 295 C CZ . TYR A 1 41 ? 22.878 -5.426 30.102 1.00 11.20 ? 41 TYR A CZ 1 ATOM 296 O OH . TYR A 1 41 ? 21.734 -5.608 30.840 1.00 11.09 ? 41 TYR A OH 1 ATOM 297 N N . THR A 1 42 ? 27.145 -2.102 29.058 1.00 12.95 ? 42 THR A N 1 ATOM 298 C CA . THR A 1 42 ? 26.976 -1.129 30.137 1.00 13.66 ? 42 THR A CA 1 ATOM 299 C C . THR A 1 42 ? 26.797 0.314 29.685 1.00 13.12 ? 42 THR A C 1 ATOM 300 O O . THR A 1 42 ? 26.111 1.091 30.343 1.00 13.20 ? 42 THR A O 1 ATOM 301 C CB . THR A 1 42 ? 28.088 -1.239 31.177 1.00 14.95 ? 42 THR A CB 1 ATOM 302 O OG1 . THR A 1 42 ? 29.355 -0.749 30.613 1.00 16.85 ? 42 THR A OG1 1 ATOM 303 C CG2 . THR A 1 42 ? 28.258 -2.683 31.631 1.00 14.88 ? 42 THR A CG2 1 ATOM 304 N N . THR A 1 43 ? 27.422 0.674 28.570 1.00 12.62 ? 43 THR A N 1 ATOM 305 C CA . THR A 1 43 ? 27.302 2.026 28.046 1.00 12.20 ? 43 THR A CA 1 ATOM 306 C C . THR A 1 43 ? 25.846 2.367 27.731 1.00 11.95 ? 43 THR A C 1 ATOM 307 O O . THR A 1 43 ? 25.396 3.483 27.975 1.00 12.02 ? 43 THR A O 1 ATOM 308 C CB . THR A 1 43 ? 28.147 2.204 26.765 1.00 12.41 ? 43 THR A CB 1 ATOM 309 O OG1 . THR A 1 43 ? 29.534 2.041 27.089 1.00 12.64 ? 43 THR A OG1 1 ATOM 310 C CG2 . THR A 1 43 ? 27.933 3.588 26.159 1.00 12.13 ? 43 THR A CG2 1 ATOM 311 N N . TRP A 1 44 ? 25.104 1.387 27.224 1.00 11.59 ? 44 TRP A N 1 ATOM 312 C CA . TRP A 1 44 ? 23.709 1.611 26.851 1.00 11.30 ? 44 TRP A CA 1 ATOM 313 C C . TRP A 1 44 ? 22.655 1.036 27.783 1.00 11.25 ? 44 TRP A C 1 ATOM 314 O O . TRP A 1 44 ? 21.537 1.554 27.854 1.00 11.02 ? 44 TRP A O 1 ATOM 315 C CB . TRP A 1 44 ? 23.477 1.108 25.422 1.00 11.11 ? 44 TRP A CB 1 ATOM 316 C CG . TRP A 1 44 ? 24.456 1.712 24.459 1.00 10.83 ? 44 TRP A CG 1 ATOM 317 C CD1 . TRP A 1 44 ? 25.465 1.067 23.797 1.00 10.99 ? 44 TRP A CD1 1 ATOM 318 C CD2 . TRP A 1 44 ? 24.574 3.099 24.115 1.00 10.83 ? 44 TRP A CD2 1 ATOM 319 N NE1 . TRP A 1 44 ? 26.208 1.968 23.075 1.00 10.60 ? 44 TRP A NE1 1 ATOM 320 C CE2 . TRP A 1 44 ? 25.682 3.222 23.250 1.00 10.94 ? 44 TRP A CE2 1 ATOM 321 C CE3 . TRP A 1 44 ? 23.851 4.251 24.459 1.00 10.81 ? 44 TRP A CE3 1 ATOM 322 C CZ2 . TRP A 1 44 ? 26.089 4.455 22.720 1.00 10.84 ? 44 TRP A CZ2 1 ATOM 323 C CZ3 . TRP A 1 44 ? 24.255 5.478 23.935 1.00 10.99 ? 44 TRP A CZ3 1 ATOM 324 C CH2 . TRP A 1 44 ? 25.363 5.569 23.074 1.00 10.85 ? 44 TRP A CH2 1 ATOM 325 N N . PHE A 1 45 ? 23.009 -0.006 28.528 1.00 11.26 ? 45 PHE A N 1 ATOM 326 C CA . PHE A 1 45 ? 22.040 -0.633 29.415 1.00 11.45 ? 45 PHE A CA 1 ATOM 327 C C . PHE A 1 45 ? 22.410 -0.579 30.894 1.00 11.61 ? 45 PHE A C 1 ATOM 328 O O . PHE A 1 45 ? 21.668 -1.070 31.742 1.00 11.72 ? 45 PHE A O 1 ATOM 329 C CB . PHE A 1 45 ? 21.761 -2.068 28.956 1.00 11.28 ? 45 PHE A CB 1 ATOM 330 C CG . PHE A 1 45 ? 21.207 -2.159 27.554 1.00 11.19 ? 45 PHE A CG 1 ATOM 331 C CD1 . PHE A 1 45 ? 21.745 -3.054 26.641 1.00 11.14 ? 45 PHE A CD1 1 ATOM 332 C CD2 . PHE A 1 45 ? 20.161 -1.334 27.147 1.00 11.16 ? 45 PHE A CD2 1 ATOM 333 C CE1 . PHE A 1 45 ? 21.253 -3.128 25.337 1.00 11.12 ? 45 PHE A CE1 1 ATOM 334 C CE2 . PHE A 1 45 ? 19.664 -1.402 25.842 1.00 11.01 ? 45 PHE A CE2 1 ATOM 335 C CZ . PHE A 1 45 ? 20.212 -2.298 24.941 1.00 11.18 ? 45 PHE A CZ 1 ATOM 336 N N . GLY A 1 46 ? 23.532 0.065 31.199 1.00 11.67 ? 46 GLY A N 1 ATOM 337 C CA . GLY A 1 46 ? 23.955 0.200 32.581 1.00 12.07 ? 46 GLY A CA 1 ATOM 338 C C . GLY A 1 46 ? 24.598 -1.035 33.172 1.00 12.35 ? 46 GLY A C 1 ATOM 339 O O . GLY A 1 46 ? 24.900 -1.993 32.462 1.00 12.45 ? 46 GLY A O 1 ATOM 340 N N . SER A 1 47 ? 24.805 -1.003 34.487 1.00 12.81 ? 47 SER A N 1 ATOM 341 C CA . SER A 1 47 ? 25.424 -2.107 35.212 1.00 13.28 ? 47 SER A CA 1 ATOM 342 C C . SER A 1 47 ? 24.789 -3.439 34.844 1.00 13.33 ? 47 SER A C 1 ATOM 343 O O . SER A 1 47 ? 23.568 -3.569 34.814 1.00 13.10 ? 47 SER A O 1 ATOM 344 C CB . SER A 1 47 ? 25.316 -1.876 36.718 1.00 13.54 ? 47 SER A CB 1 ATOM 345 O OG . SER A 1 47 ? 26.065 -0.735 37.095 1.00 14.83 ? 47 SER A OG 1 ATOM 346 N N . TYR A 1 48 ? 25.628 -4.426 34.558 1.00 13.48 ? 48 TYR A N 1 ATOM 347 C CA . TYR A 1 48 ? 25.134 -5.735 34.169 1.00 13.99 ? 48 TYR A CA 1 ATOM 348 C C . TYR A 1 48 ? 24.527 -6.541 35.301 1.00 14.51 ? 48 TYR A C 1 ATOM 349 O O . TYR A 1 48 ? 25.168 -6.783 36.325 1.00 14.64 ? 48 TYR A O 1 ATOM 350 C CB . TYR A 1 48 ? 26.241 -6.566 33.498 1.00 13.74 ? 48 TYR A CB 1 ATOM 351 C CG . TYR A 1 48 ? 25.751 -7.873 32.890 1.00 13.51 ? 48 TYR A CG 1 ATOM 352 C CD1 . TYR A 1 48 ? 25.596 -8.008 31.511 1.00 13.55 ? 48 TYR A CD1 1 ATOM 353 C CD2 . TYR A 1 48 ? 25.407 -8.961 33.697 1.00 13.57 ? 48 TYR A CD2 1 ATOM 354 C CE1 . TYR A 1 48 ? 25.107 -9.186 30.953 1.00 13.58 ? 48 TYR A CE1 1 ATOM 355 C CE2 . TYR A 1 48 ? 24.915 -10.142 33.151 1.00 13.63 ? 48 TYR A CE2 1 ATOM 356 C CZ . TYR A 1 48 ? 24.766 -10.249 31.779 1.00 13.72 ? 48 TYR A CZ 1 ATOM 357 O OH . TYR A 1 48 ? 24.255 -11.406 31.237 1.00 14.02 ? 48 TYR A OH 1 ATOM 358 N N . ILE A 1 49 ? 23.267 -6.919 35.113 1.00 15.01 ? 49 ILE A N 1 ATOM 359 C CA . ILE A 1 49 ? 22.547 -7.775 36.044 1.00 15.53 ? 49 ILE A CA 1 ATOM 360 C C . ILE A 1 49 ? 21.713 -8.678 35.132 1.00 15.69 ? 49 ILE A C 1 ATOM 361 O O . ILE A 1 49 ? 21.215 -8.233 34.093 1.00 15.63 ? 49 ILE A O 1 ATOM 362 C CB . ILE A 1 49 ? 21.665 -7.005 37.074 1.00 15.88 ? 49 ILE A CB 1 ATOM 363 C CG1 . ILE A 1 49 ? 20.520 -6.266 36.395 1.00 16.08 ? 49 ILE A CG1 1 ATOM 364 C CG2 . ILE A 1 49 ? 22.507 -6.036 37.892 1.00 15.92 ? 49 ILE A CG2 1 ATOM 365 C CD1 . ILE A 1 49 ? 19.553 -5.670 37.390 1.00 16.65 ? 49 ILE A CD1 1 ATOM 366 N N . SER A 1 50 ? 21.633 -9.958 35.479 1.00 15.75 ? 50 SER A N 1 ATOM 367 C CA . SER A 1 50 ? 20.905 -10.937 34.672 1.00 15.98 ? 50 SER A CA 1 ATOM 368 C C . SER A 1 50 ? 19.483 -10.544 34.289 1.00 15.83 ? 50 SER A C 1 ATOM 369 O O . SER A 1 50 ? 19.074 -10.747 33.149 1.00 15.74 ? 50 SER A O 1 ATOM 370 C CB . SER A 1 50 ? 20.903 -12.299 35.364 1.00 16.32 ? 50 SER A CB 1 ATOM 371 O OG . SER A 1 50 ? 22.230 -12.757 35.548 1.00 17.28 ? 50 SER A OG 1 ATOM 372 N N . SER A 1 51 ? 18.749 -9.964 35.235 1.00 15.68 ? 51 SER A N 1 ATOM 373 C CA . SER A 1 51 ? 17.369 -9.545 35.006 1.00 15.59 ? 51 SER A CA 1 ATOM 374 C C . SER A 1 51 ? 17.246 -8.616 33.802 1.00 15.05 ? 51 SER A C 1 ATOM 375 O O . SER A 1 51 ? 16.466 -8.872 32.875 1.00 15.15 ? 51 SER A O 1 ATOM 376 C CB . SER A 1 51 ? 16.821 -8.837 36.249 1.00 15.75 ? 51 SER A CB 1 ATOM 377 O OG . SER A 1 51 ? 15.473 -8.451 36.056 1.00 17.33 ? 51 SER A OG 1 ATOM 378 N N . ARG A 1 52 ? 18.020 -7.537 33.828 1.00 14.48 ? 52 ARG A N 1 ATOM 379 C CA . ARG A 1 52 ? 18.008 -6.559 32.750 1.00 13.81 ? 52 ARG A CA 1 ATOM 380 C C . ARG A 1 52 ? 18.596 -7.107 31.455 1.00 13.53 ? 52 ARG A C 1 ATOM 381 O O . ARG A 1 52 ? 18.126 -6.769 30.369 1.00 13.37 ? 52 ARG A O 1 ATOM 382 C CB . ARG A 1 52 ? 18.712 -5.269 33.182 1.00 13.70 ? 52 ARG A CB 1 ATOM 383 C CG . ARG A 1 52 ? 17.921 -4.474 34.218 1.00 13.67 ? 52 ARG A CG 1 ATOM 384 C CD . ARG A 1 52 ? 18.439 -3.052 34.350 1.00 13.64 ? 52 ARG A CD 1 ATOM 385 N NE . ARG A 1 52 ? 19.796 -3.004 34.885 1.00 13.53 ? 52 ARG A NE 1 ATOM 386 C CZ . ARG A 1 52 ? 20.105 -2.589 36.109 1.00 13.67 ? 52 ARG A CZ 1 ATOM 387 N NH1 . ARG A 1 52 ? 19.149 -2.176 36.936 1.00 13.55 ? 52 ARG A NH1 1 ATOM 388 N NH2 . ARG A 1 52 ? 21.368 -2.601 36.513 1.00 13.75 ? 52 ARG A NH2 1 ATOM 389 N N . HIS A 1 53 ? 19.615 -7.958 31.561 1.00 13.31 ? 53 HIS A N 1 ATOM 390 C CA . HIS A 1 53 ? 20.197 -8.554 30.364 1.00 13.29 ? 53 HIS A CA 1 ATOM 391 C C . HIS A 1 53 ? 19.127 -9.416 29.694 1.00 13.29 ? 53 HIS A C 1 ATOM 392 O O . HIS A 1 53 ? 19.017 -9.441 28.470 1.00 13.22 ? 53 HIS A O 1 ATOM 393 C CB . HIS A 1 53 ? 21.419 -9.407 30.708 1.00 13.29 ? 53 HIS A CB 1 ATOM 394 C CG . HIS A 1 53 ? 21.918 -10.236 29.563 1.00 13.40 ? 53 HIS A CG 1 ATOM 395 N ND1 . HIS A 1 53 ? 21.595 -11.567 29.413 1.00 13.43 ? 53 HIS A ND1 1 ATOM 396 C CD2 . HIS A 1 53 ? 22.721 -9.925 28.518 1.00 13.32 ? 53 HIS A CD2 1 ATOM 397 C CE1 . HIS A 1 53 ? 22.180 -12.042 28.328 1.00 13.59 ? 53 HIS A CE1 1 ATOM 398 N NE2 . HIS A 1 53 ? 22.870 -11.066 27.767 1.00 13.48 ? 53 HIS A NE2 1 ATOM 399 N N . SER A 1 54 ? 18.329 -10.104 30.509 1.00 13.43 ? 54 SER A N 1 ATOM 400 C CA . SER A 1 54 ? 17.251 -10.949 30.001 1.00 13.66 ? 54 SER A CA 1 ATOM 401 C C . SER A 1 54 ? 16.212 -10.095 29.282 1.00 13.39 ? 54 SER A C 1 ATOM 402 O O . SER A 1 54 ? 15.674 -10.498 28.251 1.00 13.38 ? 54 SER A O 1 ATOM 403 C CB . SER A 1 54 ? 16.581 -11.719 31.143 1.00 14.13 ? 54 SER A CB 1 ATOM 404 O OG . SER A 1 54 ? 17.443 -12.713 31.666 1.00 15.49 ? 54 SER A OG 1 ATOM 405 N N . THR A 1 55 ? 15.945 -8.914 29.838 1.00 13.13 ? 55 THR A N 1 ATOM 406 C CA . THR A 1 55 ? 14.979 -7.979 29.267 1.00 12.87 ? 55 THR A CA 1 ATOM 407 C C . THR A 1 55 ? 15.385 -7.559 27.859 1.00 12.46 ? 55 THR A C 1 ATOM 408 O O . THR A 1 55 ? 14.595 -7.661 26.920 1.00 11.88 ? 55 THR A O 1 ATOM 409 C CB . THR A 1 55 ? 14.840 -6.726 30.151 1.00 13.20 ? 55 THR A CB 1 ATOM 410 O OG1 . THR A 1 55 ? 14.309 -7.100 31.427 1.00 13.73 ? 55 THR A OG1 1 ATOM 411 C CG2 . THR A 1 55 ? 13.918 -5.698 29.500 1.00 13.41 ? 55 THR A CG2 1 ATOM 412 N N . VAL A 1 56 ? 16.618 -7.085 27.708 1.00 12.04 ? 56 VAL A N 1 ATOM 413 C CA . VAL A 1 56 ? 17.076 -6.669 26.390 1.00 11.92 ? 56 VAL A CA 1 ATOM 414 C C . VAL A 1 56 ? 17.227 -7.862 25.451 1.00 11.75 ? 56 VAL A C 1 ATOM 415 O O . VAL A 1 56 ? 16.938 -7.755 24.263 1.00 11.42 ? 56 VAL A O 1 ATOM 416 C CB . VAL A 1 56 ? 18.371 -5.834 26.449 1.00 12.01 ? 56 VAL A CB 1 ATOM 417 C CG1 . VAL A 1 56 ? 18.113 -4.542 27.210 1.00 12.26 ? 56 VAL A CG1 1 ATOM 418 C CG2 . VAL A 1 56 ? 19.495 -6.620 27.087 1.00 12.38 ? 56 VAL A CG2 1 ATOM 419 N N . LEU A 1 57 ? 17.653 -9.004 25.989 1.00 11.73 ? 57 LEU A N 1 ATOM 420 C CA . LEU A 1 57 ? 17.793 -10.208 25.171 1.00 11.86 ? 57 LEU A CA 1 ATOM 421 C C . LEU A 1 57 ? 16.428 -10.581 24.589 1.00 11.80 ? 57 LEU A C 1 ATOM 422 O O . LEU A 1 57 ? 16.319 -10.930 23.411 1.00 11.65 ? 57 LEU A O 1 ATOM 423 C CB . LEU A 1 57 ? 18.352 -11.369 26.000 1.00 12.37 ? 57 LEU A CB 1 ATOM 424 C CG . LEU A 1 57 ? 18.471 -12.719 25.279 1.00 12.79 ? 57 LEU A CG 1 ATOM 425 C CD1 . LEU A 1 57 ? 19.328 -12.577 24.030 1.00 13.05 ? 57 LEU A CD1 1 ATOM 426 C CD2 . LEU A 1 57 ? 19.059 -13.758 26.210 1.00 13.35 ? 57 LEU A CD2 1 ATOM 427 N N . GLN A 1 58 ? 15.388 -10.432 25.403 1.00 11.77 ? 58 GLN A N 1 ATOM 428 C CA . GLN A 1 58 ? 14.026 -10.737 24.975 1.00 11.90 ? 58 GLN A CA 1 ATOM 429 C C . GLN A 1 58 ? 13.582 -9.780 23.874 1.00 11.39 ? 58 GLN A C 1 ATOM 430 O O . GLN A 1 58 ? 13.005 -10.201 22.877 1.00 11.24 ? 58 GLN A O 1 ATOM 431 C CB . GLN A 1 58 ? 13.060 -10.657 26.158 1.00 12.69 ? 58 GLN A CB 1 ATOM 432 C CG . GLN A 1 58 ? 11.670 -11.197 25.852 1.00 14.58 ? 58 GLN A CG 1 ATOM 433 C CD . GLN A 1 58 ? 11.693 -12.640 25.375 1.00 15.32 ? 58 GLN A CD 1 ATOM 434 O OE1 . GLN A 1 58 ? 12.346 -13.496 25.973 1.00 16.70 ? 58 GLN A OE1 1 ATOM 435 N NE2 . GLN A 1 58 ? 10.982 -12.914 24.289 1.00 16.23 ? 58 GLN A NE2 1 ATOM 436 N N . HIS A 1 59 ? 13.868 -8.494 24.058 1.00 10.78 ? 59 HIS A N 1 ATOM 437 C CA . HIS A 1 59 ? 13.509 -7.475 23.076 1.00 10.51 ? 59 HIS A CA 1 ATOM 438 C C . HIS A 1 59 ? 14.100 -7.797 21.708 1.00 10.33 ? 59 HIS A C 1 ATOM 439 O O . HIS A 1 59 ? 13.405 -7.742 20.693 1.00 10.16 ? 59 HIS A O 1 ATOM 440 C CB . HIS A 1 59 ? 14.004 -6.097 23.528 1.00 10.33 ? 59 HIS A CB 1 ATOM 441 C CG . HIS A 1 59 ? 13.335 -5.587 24.767 1.00 10.30 ? 59 HIS A CG 1 ATOM 442 N ND1 . HIS A 1 59 ? 13.740 -4.438 25.409 1.00 10.00 ? 59 HIS A ND1 1 ATOM 443 C CD2 . HIS A 1 59 ? 12.280 -6.061 25.474 1.00 10.22 ? 59 HIS A CD2 1 ATOM 444 C CE1 . HIS A 1 59 ? 12.962 -4.222 26.454 1.00 10.24 ? 59 HIS A CE1 1 ATOM 445 N NE2 . HIS A 1 59 ? 12.067 -5.193 26.517 1.00 10.30 ? 59 HIS A NE2 1 ATOM 446 N N . TYR A 1 60 ? 15.382 -8.155 21.683 1.00 10.43 ? 60 TYR A N 1 ATOM 447 C CA . TYR A 1 60 ? 16.040 -8.470 20.421 1.00 10.47 ? 60 TYR A CA 1 ATOM 448 C C . TYR A 1 60 ? 15.625 -9.801 19.828 1.00 10.77 ? 60 TYR A C 1 ATOM 449 O O . TYR A 1 60 ? 15.650 -9.967 18.612 1.00 10.62 ? 60 TYR A O 1 ATOM 450 C CB . TYR A 1 60 ? 17.557 -8.365 20.553 1.00 10.35 ? 60 TYR A CB 1 ATOM 451 C CG . TYR A 1 60 ? 18.011 -6.929 20.556 1.00 10.05 ? 60 TYR A CG 1 ATOM 452 C CD1 . TYR A 1 60 ? 18.228 -6.250 21.752 1.00 10.15 ? 60 TYR A CD1 1 ATOM 453 C CD2 . TYR A 1 60 ? 18.173 -6.231 19.358 1.00 10.23 ? 60 TYR A CD2 1 ATOM 454 C CE1 . TYR A 1 60 ? 18.597 -4.902 21.762 1.00 10.18 ? 60 TYR A CE1 1 ATOM 455 C CE2 . TYR A 1 60 ? 18.538 -4.886 19.353 1.00 10.11 ? 60 TYR A CE2 1 ATOM 456 C CZ . TYR A 1 60 ? 18.746 -4.230 20.560 1.00 10.16 ? 60 TYR A CZ 1 ATOM 457 O OH . TYR A 1 60 ? 19.091 -2.900 20.565 1.00 10.13 ? 60 TYR A OH 1 ATOM 458 N N . THR A 1 61 ? 15.278 -10.753 20.689 1.00 11.19 ? 61 THR A N 1 ATOM 459 C CA . THR A 1 61 ? 14.810 -12.064 20.242 1.00 11.68 ? 61 THR A CA 1 ATOM 460 C C . THR A 1 61 ? 13.484 -11.837 19.512 1.00 11.91 ? 61 THR A C 1 ATOM 461 O O . THR A 1 61 ? 13.225 -12.429 18.464 1.00 11.85 ? 61 THR A O 1 ATOM 462 C CB . THR A 1 61 ? 14.580 -13.011 21.440 1.00 11.77 ? 61 THR A CB 1 ATOM 463 O OG1 . THR A 1 61 ? 15.828 -13.275 22.087 1.00 11.78 ? 61 THR A OG1 1 ATOM 464 C CG2 . THR A 1 61 ? 13.970 -14.334 20.983 1.00 12.10 ? 61 THR A CG2 1 ATOM 465 N N . ASP A 1 62 ? 12.661 -10.949 20.063 1.00 12.34 ? 62 ASP A N 1 ATOM 466 C CA . ASP A 1 62 ? 11.377 -10.629 19.458 1.00 12.88 ? 62 ASP A CA 1 ATOM 467 C C . ASP A 1 62 ? 11.558 -9.846 18.163 1.00 12.87 ? 62 ASP A C 1 ATOM 468 O O . ASP A 1 62 ? 10.960 -10.190 17.145 1.00 13.01 ? 62 ASP A O 1 ATOM 469 C CB . ASP A 1 62 ? 10.481 -9.870 20.442 1.00 13.60 ? 62 ASP A CB 1 ATOM 470 C CG . ASP A 1 62 ? 9.954 -10.758 21.562 1.00 14.43 ? 62 ASP A CG 1 ATOM 471 O OD1 . ASP A 1 62 ? 9.749 -11.969 21.335 1.00 15.49 ? 62 ASP A OD1 1 ATOM 472 O OD2 . ASP A 1 62 ? 9.734 -10.245 22.676 1.00 14.96 ? 62 ASP A OD2 1 ATOM 473 N N . MET A 1 63 ? 12.425 -8.833 18.182 1.00 12.90 ? 63 MET A N 1 ATOM 474 C CA . MET A 1 63 ? 12.670 -8.036 16.985 1.00 13.10 ? 63 MET A CA 1 ATOM 475 C C . MET A 1 63 ? 13.300 -8.856 15.864 1.00 13.29 ? 63 MET A C 1 ATOM 476 O O . MET A 1 63 ? 13.019 -8.623 14.689 1.00 13.27 ? 63 MET A O 1 ATOM 477 C CB . MET A 1 63 ? 13.532 -6.808 17.302 1.00 13.12 ? 63 MET A CB 1 ATOM 478 C CG . MET A 1 63 ? 12.765 -5.700 18.005 1.00 13.23 ? 63 MET A CG 1 ATOM 479 S SD . MET A 1 63 ? 13.704 -4.172 18.148 1.00 13.76 ? 63 MET A SD 1 ATOM 480 C CE . MET A 1 63 ? 14.650 -4.552 19.597 1.00 13.81 ? 63 MET A CE 1 ATOM 481 N N . ASN A 1 64 ? 14.133 -9.829 16.227 1.00 13.65 ? 64 ASN A N 1 ATOM 482 C CA . ASN A 1 64 ? 14.781 -10.679 15.232 1.00 14.16 ? 64 ASN A CA 1 ATOM 483 C C . ASN A 1 64 ? 13.753 -11.521 14.467 1.00 14.35 ? 64 ASN A C 1 ATOM 484 O O . ASN A 1 64 ? 13.982 -11.888 13.313 1.00 14.27 ? 64 ASN A O 1 ATOM 485 C CB . ASN A 1 64 ? 15.835 -11.579 15.892 1.00 14.35 ? 64 ASN A CB 1 ATOM 486 C CG . ASN A 1 64 ? 16.599 -12.430 14.885 1.00 14.73 ? 64 ASN A CG 1 ATOM 487 O OD1 . ASN A 1 64 ? 17.267 -11.910 13.991 1.00 15.00 ? 64 ASN A OD1 1 ATOM 488 N ND2 . ASN A 1 64 ? 16.483 -13.748 15.015 1.00 15.28 ? 64 ASN A ND2 1 ATOM 489 N N . SER A 1 65 ? 12.614 -11.798 15.105 1.00 14.71 ? 65 SER A N 1 ATOM 490 C CA . SER A 1 65 ? 11.547 -12.581 14.479 1.00 15.19 ? 65 SER A CA 1 ATOM 491 C C . SER A 1 65 ? 10.637 -11.715 13.604 1.00 15.31 ? 65 SER A C 1 ATOM 492 O O . SER A 1 65 ? 9.716 -12.228 12.959 1.00 15.48 ? 65 SER A O 1 ATOM 493 C CB . SER A 1 65 ? 10.725 -13.332 15.535 1.00 15.39 ? 65 SER A CB 1 ATOM 494 O OG . SER A 1 65 ? 9.887 -12.459 16.275 1.00 16.10 ? 65 SER A OG 1 ATOM 495 N N . ASN A 1 66 ? 10.869 -10.402 13.634 1.00 15.28 ? 66 ASN A N 1 ATOM 496 C CA . ASN A 1 66 ? 10.127 -9.446 12.811 1.00 15.36 ? 66 ASN A CA 1 ATOM 497 C C . ASN A 1 66 ? 10.753 -9.511 11.425 1.00 15.52 ? 66 ASN A C 1 ATOM 498 O O . ASN A 1 66 ? 11.939 -9.811 11.296 1.00 15.65 ? 66 ASN A O 1 ATOM 499 C CB . ASN A 1 66 ? 10.357 -8.003 13.289 1.00 15.13 ? 66 ASN A CB 1 ATOM 500 C CG . ASN A 1 66 ? 9.587 -7.638 14.545 1.00 15.06 ? 66 ASN A CG 1 ATOM 501 O OD1 . ASN A 1 66 ? 9.325 -6.459 14.778 1.00 15.18 ? 66 ASN A OD1 1 ATOM 502 N ND2 . ASN A 1 66 ? 9.259 -8.620 15.371 1.00 14.91 ? 66 ASN A ND2 1 ATOM 503 N N . ASP A 1 67 ? 9.964 -9.251 10.389 1.00 15.68 ? 67 ASP A N 1 ATOM 504 C CA . ASP A 1 67 ? 10.507 -9.205 9.038 1.00 15.86 ? 67 ASP A CA 1 ATOM 505 C C . ASP A 1 67 ? 10.417 -7.735 8.645 1.00 15.78 ? 67 ASP A C 1 ATOM 506 O O . ASP A 1 67 ? 9.377 -7.266 8.186 1.00 15.61 ? 67 ASP A O 1 ATOM 507 C CB . ASP A 1 67 ? 9.703 -10.072 8.061 1.00 16.44 ? 67 ASP A CB 1 ATOM 508 C CG . ASP A 1 67 ? 10.277 -10.046 6.646 1.00 16.94 ? 67 ASP A CG 1 ATOM 509 O OD1 . ASP A 1 67 ? 9.742 -10.760 5.779 1.00 17.71 ? 67 ASP A OD1 1 ATOM 510 O OD2 . ASP A 1 67 ? 11.254 -9.312 6.383 1.00 17.43 ? 67 ASP A OD2 1 ATOM 511 N N . PHE A 1 68 ? 11.509 -7.006 8.857 1.00 15.69 ? 68 PHE A N 1 ATOM 512 C CA . PHE A 1 68 ? 11.557 -5.583 8.549 1.00 15.79 ? 68 PHE A CA 1 ATOM 513 C C . PHE A 1 68 ? 11.228 -5.248 7.098 1.00 15.96 ? 68 PHE A C 1 ATOM 514 O O . PHE A 1 68 ? 10.615 -4.220 6.824 1.00 15.93 ? 68 PHE A O 1 ATOM 515 C CB . PHE A 1 68 ? 12.921 -5.001 8.917 1.00 15.58 ? 68 PHE A CB 1 ATOM 516 C CG . PHE A 1 68 ? 13.117 -4.796 10.393 1.00 15.46 ? 68 PHE A CG 1 ATOM 517 C CD1 . PHE A 1 68 ? 13.372 -5.874 11.237 1.00 15.39 ? 68 PHE A CD1 1 ATOM 518 C CD2 . PHE A 1 68 ? 13.060 -3.516 10.938 1.00 15.41 ? 68 PHE A CD2 1 ATOM 519 C CE1 . PHE A 1 68 ? 13.570 -5.682 12.608 1.00 15.49 ? 68 PHE A CE1 1 ATOM 520 C CE2 . PHE A 1 68 ? 13.257 -3.314 12.305 1.00 15.32 ? 68 PHE A CE2 1 ATOM 521 C CZ . PHE A 1 68 ? 13.512 -4.398 13.138 1.00 15.41 ? 68 PHE A CZ 1 ATOM 522 N N . SER A 1 69 ? 11.631 -6.118 6.176 1.00 16.36 ? 69 SER A N 1 ATOM 523 C CA . SER A 1 69 ? 11.371 -5.888 4.757 1.00 16.86 ? 69 SER A CA 1 ATOM 524 C C . SER A 1 69 ? 9.883 -5.979 4.410 1.00 16.77 ? 69 SER A C 1 ATOM 525 O O . SER A 1 69 ? 9.463 -5.495 3.354 1.00 17.15 ? 69 SER A O 1 ATOM 526 C CB . SER A 1 69 ? 12.192 -6.849 3.888 1.00 17.23 ? 69 SER A CB 1 ATOM 527 O OG . SER A 1 69 ? 11.726 -8.180 3.984 1.00 18.22 ? 69 SER A OG 1 ATOM 528 N N . SER A 1 70 ? 9.095 -6.586 5.300 1.00 16.71 ? 70 SER A N 1 ATOM 529 C CA . SER A 1 70 ? 7.654 -6.727 5.097 1.00 16.53 ? 70 SER A CA 1 ATOM 530 C C . SER A 1 70 ? 6.857 -5.687 5.889 1.00 16.14 ? 70 SER A C 1 ATOM 531 O O . SER A 1 70 ? 5.626 -5.734 5.933 1.00 16.05 ? 70 SER A O 1 ATOM 532 C CB . SER A 1 70 ? 7.177 -8.145 5.445 1.00 16.84 ? 70 SER A CB 1 ATOM 533 O OG . SER A 1 70 ? 7.187 -8.392 6.843 1.00 17.73 ? 70 SER A OG 1 ATOM 534 N N . TYR A 1 71 ? 7.562 -4.769 6.547 1.00 15.69 ? 71 TYR A N 1 ATOM 535 C CA . TYR A 1 71 ? 6.900 -3.706 7.298 1.00 15.24 ? 71 TYR A CA 1 ATOM 536 C C . TYR A 1 71 ? 6.183 -2.798 6.310 1.00 15.24 ? 71 TYR A C 1 ATOM 537 O O . TYR A 1 71 ? 6.581 -2.696 5.148 1.00 15.11 ? 71 TYR A O 1 ATOM 538 C CB . TYR A 1 71 ? 7.926 -2.826 8.020 1.00 14.89 ? 71 TYR A CB 1 ATOM 539 C CG . TYR A 1 71 ? 8.331 -3.245 9.414 1.00 14.59 ? 71 TYR A CG 1 ATOM 540 C CD1 . TYR A 1 71 ? 9.104 -2.395 10.198 1.00 14.53 ? 71 TYR A CD1 1 ATOM 541 C CD2 . TYR A 1 71 ? 7.958 -4.480 9.948 1.00 14.56 ? 71 TYR A CD2 1 ATOM 542 C CE1 . TYR A 1 71 ? 9.501 -2.756 11.475 1.00 14.36 ? 71 TYR A CE1 1 ATOM 543 C CE2 . TYR A 1 71 ? 8.355 -4.855 11.233 1.00 14.43 ? 71 TYR A CE2 1 ATOM 544 C CZ . TYR A 1 71 ? 9.127 -3.983 11.986 1.00 14.41 ? 71 TYR A CZ 1 ATOM 545 O OH . TYR A 1 71 ? 9.533 -4.327 13.251 1.00 14.38 ? 71 TYR A OH 1 ATOM 546 N N . SER A 1 72 ? 5.123 -2.149 6.776 1.00 15.21 ? 72 SER A N 1 ATOM 547 C CA . SER A 1 72 ? 4.398 -1.193 5.959 1.00 15.33 ? 72 SER A CA 1 ATOM 548 C C . SER A 1 72 ? 5.011 0.149 6.328 1.00 15.34 ? 72 SER A C 1 ATOM 549 O O . SER A 1 72 ? 5.270 0.416 7.505 1.00 15.39 ? 72 SER A O 1 ATOM 550 C CB . SER A 1 72 ? 2.905 -1.205 6.284 1.00 15.56 ? 72 SER A CB 1 ATOM 551 O OG . SER A 1 72 ? 2.286 -2.367 5.759 1.00 15.88 ? 72 SER A OG 1 ATOM 552 N N . PHE A 1 73 ? 5.311 0.962 5.324 1.00 15.37 ? 73 PHE A N 1 ATOM 553 C CA . PHE A 1 73 ? 5.912 2.267 5.565 1.00 15.62 ? 73 PHE A CA 1 ATOM 554 C C . PHE A 1 73 ? 5.015 3.379 5.046 1.00 16.01 ? 73 PHE A C 1 ATOM 555 O O . PHE A 1 73 ? 4.380 3.245 4.000 1.00 15.99 ? 73 PHE A O 1 ATOM 556 C CB . PHE A 1 73 ? 7.294 2.350 4.914 1.00 15.28 ? 73 PHE A CB 1 ATOM 557 C CG . PHE A 1 73 ? 8.301 1.402 5.502 1.00 14.88 ? 73 PHE A CG 1 ATOM 558 C CD1 . PHE A 1 73 ? 8.774 0.325 4.764 1.00 14.93 ? 73 PHE A CD1 1 ATOM 559 C CD2 . PHE A 1 73 ? 8.783 1.591 6.794 1.00 14.79 ? 73 PHE A CD2 1 ATOM 560 C CE1 . PHE A 1 73 ? 9.715 -0.552 5.300 1.00 14.58 ? 73 PHE A CE1 1 ATOM 561 C CE2 . PHE A 1 73 ? 9.723 0.720 7.339 1.00 14.70 ? 73 PHE A CE2 1 ATOM 562 C CZ . PHE A 1 73 ? 10.190 -0.354 6.591 1.00 14.83 ? 73 PHE A CZ 1 ATOM 563 N N . ASP A 1 74 ? 4.973 4.477 5.788 1.00 16.44 ? 74 ASP A N 1 ATOM 564 C CA . ASP A 1 74 ? 4.156 5.631 5.438 1.00 17.19 ? 74 ASP A CA 1 ATOM 565 C C . ASP A 1 74 ? 5.055 6.869 5.445 1.00 17.77 ? 74 ASP A C 1 ATOM 566 O O . ASP A 1 74 ? 5.670 7.186 6.459 1.00 17.67 ? 74 ASP A O 1 ATOM 567 C CB . ASP A 1 74 ? 3.020 5.760 6.462 1.00 17.14 ? 74 ASP A CB 1 ATOM 568 C CG . ASP A 1 74 ? 2.113 6.944 6.198 1.00 17.25 ? 74 ASP A CG 1 ATOM 569 O OD1 . ASP A 1 74 ? 2.595 8.089 6.278 1.00 17.48 ? 74 ASP A OD1 1 ATOM 570 O OD2 . ASP A 1 74 ? 0.908 6.733 5.949 1.00 17.05 ? 74 ASP A OD2 1 ATOM 571 N N . CYS A 1 75 ? 5.105 7.576 4.319 1.00 18.64 ? 75 CYS A N 1 ATOM 572 C CA . CYS A 1 75 ? 5.947 8.765 4.196 1.00 19.63 ? 75 CYS A CA 1 ATOM 573 C C . CYS A 1 75 ? 5.185 10.087 4.111 1.00 20.18 ? 75 CYS A C 1 ATOM 574 O O . CYS A 1 75 ? 5.681 11.049 3.522 1.00 20.21 ? 75 CYS A O 1 ATOM 575 C CB . CYS A 1 75 ? 6.854 8.634 2.968 1.00 19.90 ? 75 CYS A CB 1 ATOM 576 S SG . CYS A 1 75 ? 7.822 7.094 2.895 1.00 20.52 ? 75 CYS A SG 1 ATOM 577 N N . THR A 1 76 ? 4.006 10.155 4.722 1.00 20.98 ? 76 THR A N 1 ATOM 578 C CA . THR A 1 76 ? 3.211 11.384 4.686 1.00 21.80 ? 76 THR A CA 1 ATOM 579 C C . THR A 1 76 ? 3.675 12.477 5.658 1.00 22.24 ? 76 THR A C 1 ATOM 580 O O . THR A 1 76 ? 3.564 13.663 5.352 1.00 22.46 ? 76 THR A O 1 ATOM 581 C CB . THR A 1 76 ? 1.705 11.101 4.904 1.00 21.94 ? 76 THR A CB 1 ATOM 582 O OG1 . THR A 1 76 ? 1.498 10.537 6.205 1.00 22.24 ? 76 THR A OG1 1 ATOM 583 C CG2 . THR A 1 76 ? 1.187 10.134 3.851 1.00 22.11 ? 76 THR A CG2 1 ATOM 584 N N . CYS A 1 77 ? 4.202 12.081 6.817 1.00 22.73 ? 77 CYS A N 1 ATOM 585 C CA . CYS A 1 77 ? 4.678 13.037 7.824 1.00 23.31 ? 77 CYS A CA 1 ATOM 586 C C . CYS A 1 77 ? 5.860 13.865 7.318 1.00 23.74 ? 77 CYS A C 1 ATOM 587 O O . CYS A 1 77 ? 6.794 13.327 6.724 1.00 23.85 ? 77 CYS A O 1 ATOM 588 C CB . CYS A 1 77 ? 5.055 12.299 9.117 1.00 23.07 ? 77 CYS A CB 1 ATOM 589 S SG . CYS A 1 77 ? 5.876 13.300 10.406 1.00 23.30 ? 77 CYS A SG 1 ATOM 590 N N . THR A 1 78 ? 5.805 15.176 7.546 1.00 24.34 ? 78 THR A N 1 ATOM 591 C CA . THR A 1 78 ? 6.866 16.082 7.107 1.00 24.93 ? 78 THR A CA 1 ATOM 592 C C . THR A 1 78 ? 7.546 16.832 8.255 1.00 25.18 ? 78 THR A C 1 ATOM 593 O O . THR A 1 78 ? 8.180 17.868 8.038 1.00 25.40 ? 78 THR A O 1 ATOM 594 C CB . THR A 1 78 ? 6.340 17.112 6.069 1.00 25.00 ? 78 THR A CB 1 ATOM 595 O OG1 . THR A 1 78 ? 5.183 17.777 6.591 1.00 25.22 ? 78 THR A OG1 1 ATOM 596 C CG2 . THR A 1 78 ? 5.984 16.429 4.758 1.00 25.17 ? 78 THR A CG2 1 ATOM 597 N N . ALA A 1 79 ? 7.410 16.312 9.473 1.00 25.47 ? 79 ALA A N 1 ATOM 598 C CA . ALA A 1 79 ? 8.022 16.931 10.647 1.00 25.62 ? 79 ALA A CA 1 ATOM 599 C C . ALA A 1 79 ? 9.543 16.823 10.552 1.00 25.77 ? 79 ALA A C 1 ATOM 600 O O . ALA A 1 79 ? 10.096 15.722 10.534 1.00 25.73 ? 79 ALA A O 1 ATOM 601 C CB . ALA A 1 79 ? 7.517 16.261 11.918 1.00 25.63 ? 79 ALA A CB 1 ATOM 602 N N . ALA A 1 80 ? 10.211 17.972 10.491 1.00 25.96 ? 80 ALA A N 1 ATOM 603 C CA . ALA A 1 80 ? 11.668 18.027 10.374 1.00 26.03 ? 80 ALA A CA 1 ATOM 604 C C . ALA A 1 80 ? 12.428 17.588 11.623 1.00 26.01 ? 80 ALA A C 1 ATOM 605 O O . ALA A 1 80 ? 13.556 17.104 11.524 1.00 26.26 ? 80 ALA A O 1 ATOM 606 C CB . ALA A 1 80 ? 12.106 19.426 9.958 1.00 26.18 ? 80 ALA A CB 1 ATOM 607 N N . GLY A 1 81 ? 11.816 17.764 12.791 1.00 25.85 ? 81 GLY A N 1 ATOM 608 C CA . GLY A 1 81 ? 12.462 17.383 14.036 1.00 25.48 ? 81 GLY A CA 1 ATOM 609 C C . GLY A 1 81 ? 12.294 15.923 14.415 1.00 25.14 ? 81 GLY A C 1 ATOM 610 O O . GLY A 1 81 ? 13.014 15.418 15.275 1.00 25.36 ? 81 GLY A O 1 ATOM 611 N N . THR A 1 82 ? 11.343 15.248 13.776 1.00 24.70 ? 82 THR A N 1 ATOM 612 C CA . THR A 1 82 ? 11.069 13.840 14.050 1.00 24.00 ? 82 THR A CA 1 ATOM 613 C C . THR A 1 82 ? 11.599 12.925 12.946 1.00 23.20 ? 82 THR A C 1 ATOM 614 O O . THR A 1 82 ? 11.497 13.238 11.759 1.00 23.14 ? 82 THR A O 1 ATOM 615 C CB . THR A 1 82 ? 9.548 13.596 14.221 1.00 24.28 ? 82 THR A CB 1 ATOM 616 O OG1 . THR A 1 82 ? 9.043 14.436 15.265 1.00 24.91 ? 82 THR A OG1 1 ATOM 617 C CG2 . THR A 1 82 ? 9.266 12.144 14.581 1.00 24.38 ? 82 THR A CG2 1 ATOM 618 N N . PHE A 1 83 ? 12.198 11.809 13.352 1.00 22.13 ? 83 PHE A N 1 ATOM 619 C CA . PHE A 1 83 ? 12.728 10.827 12.412 1.00 21.14 ? 83 PHE A CA 1 ATOM 620 C C . PHE A 1 83 ? 11.602 9.929 11.912 1.00 20.27 ? 83 PHE A C 1 ATOM 621 O O . PHE A 1 83 ? 11.431 9.743 10.709 1.00 20.07 ? 83 PHE A O 1 ATOM 622 C CB . PHE A 1 83 ? 13.788 9.951 13.086 1.00 21.47 ? 83 PHE A CB 1 ATOM 623 C CG . PHE A 1 83 ? 15.141 10.596 13.193 1.00 21.79 ? 83 PHE A CG 1 ATOM 624 C CD1 . PHE A 1 83 ? 15.457 11.407 14.278 1.00 22.02 ? 83 PHE A CD1 1 ATOM 625 C CD2 . PHE A 1 83 ? 16.106 10.375 12.217 1.00 21.87 ? 83 PHE A CD2 1 ATOM 626 C CE1 . PHE A 1 83 ? 16.720 11.988 14.390 1.00 22.19 ? 83 PHE A CE1 1 ATOM 627 C CE2 . PHE A 1 83 ? 17.371 10.952 12.318 1.00 22.07 ? 83 PHE A CE2 1 ATOM 628 C CZ . PHE A 1 83 ? 17.678 11.759 13.407 1.00 22.10 ? 83 PHE A CZ 1 ATOM 629 N N . ALA A 1 84 ? 10.836 9.382 12.853 1.00 19.07 ? 84 ALA A N 1 ATOM 630 C CA . ALA A 1 84 ? 9.730 8.481 12.536 1.00 18.05 ? 84 ALA A CA 1 ATOM 631 C C . ALA A 1 84 ? 8.887 8.218 13.780 1.00 17.25 ? 84 ALA A C 1 ATOM 632 O O . ALA A 1 84 ? 9.225 8.667 14.875 1.00 17.19 ? 84 ALA A O 1 ATOM 633 C CB . ALA A 1 84 ? 10.283 7.158 12.001 1.00 18.14 ? 84 ALA A CB 1 ATOM 634 N N . TYR A 1 85 ? 7.781 7.499 13.604 1.00 16.40 ? 85 TYR A N 1 ATOM 635 C CA . TYR A 1 85 ? 6.916 7.157 14.725 1.00 15.45 ? 85 TYR A CA 1 ATOM 636 C C . TYR A 1 85 ? 6.075 5.923 14.432 1.00 14.78 ? 85 TYR A C 1 ATOM 637 O O . TYR A 1 85 ? 5.938 5.511 13.281 1.00 14.42 ? 85 TYR A O 1 ATOM 638 C CB . TYR A 1 85 ? 6.018 8.339 15.136 1.00 15.67 ? 85 TYR A CB 1 ATOM 639 C CG . TYR A 1 85 ? 4.930 8.720 14.155 1.00 15.85 ? 85 TYR A CG 1 ATOM 640 C CD1 . TYR A 1 85 ? 3.713 8.034 14.130 1.00 15.92 ? 85 TYR A CD1 1 ATOM 641 C CD2 . TYR A 1 85 ? 5.101 9.788 13.276 1.00 16.04 ? 85 TYR A CD2 1 ATOM 642 C CE1 . TYR A 1 85 ? 2.695 8.402 13.256 1.00 16.19 ? 85 TYR A CE1 1 ATOM 643 C CE2 . TYR A 1 85 ? 4.087 10.165 12.399 1.00 16.29 ? 85 TYR A CE2 1 ATOM 644 C CZ . TYR A 1 85 ? 2.890 9.466 12.395 1.00 16.35 ? 85 TYR A CZ 1 ATOM 645 O OH . TYR A 1 85 ? 1.891 9.819 11.519 1.00 16.68 ? 85 TYR A OH 1 ATOM 646 N N . VAL A 1 86 ? 5.555 5.310 15.491 1.00 14.05 ? 86 VAL A N 1 ATOM 647 C CA . VAL A 1 86 ? 4.714 4.124 15.363 1.00 13.59 ? 86 VAL A CA 1 ATOM 648 C C . VAL A 1 86 ? 3.679 4.120 16.469 1.00 13.53 ? 86 VAL A C 1 ATOM 649 O O . VAL A 1 86 ? 3.755 4.906 17.408 1.00 13.27 ? 86 VAL A O 1 ATOM 650 C CB . VAL A 1 86 ? 5.511 2.796 15.550 1.00 13.45 ? 86 VAL A CB 1 ATOM 651 C CG1 . VAL A 1 86 ? 6.640 2.682 14.549 1.00 13.35 ? 86 VAL A CG1 1 ATOM 652 C CG2 . VAL A 1 86 ? 6.038 2.684 16.986 1.00 13.44 ? 86 VAL A CG2 1 ATOM 653 N N . TYR A 1 87 ? 2.703 3.234 16.332 1.00 13.55 ? 87 TYR A N 1 ATOM 654 C CA . TYR A 1 87 ? 1.689 3.036 17.356 1.00 13.89 ? 87 TYR A CA 1 ATOM 655 C C . TYR A 1 87 ? 2.094 1.700 17.946 1.00 13.70 ? 87 TYR A C 1 ATOM 656 O O . TYR A 1 87 ? 2.129 0.692 17.244 1.00 13.57 ? 87 TYR A O 1 ATOM 657 C CB . TYR A 1 87 ? 0.296 2.947 16.744 1.00 14.27 ? 87 TYR A CB 1 ATOM 658 C CG . TYR A 1 87 ? -0.122 4.240 16.114 1.00 14.87 ? 87 TYR A CG 1 ATOM 659 C CD1 . TYR A 1 87 ? -0.272 4.345 14.738 1.00 15.28 ? 87 TYR A CD1 1 ATOM 660 C CD2 . TYR A 1 87 ? -0.311 5.382 16.894 1.00 15.24 ? 87 TYR A CD2 1 ATOM 661 C CE1 . TYR A 1 87 ? -0.592 5.550 14.146 1.00 15.68 ? 87 TYR A CE1 1 ATOM 662 C CE2 . TYR A 1 87 ? -0.636 6.596 16.314 1.00 15.49 ? 87 TYR A CE2 1 ATOM 663 C CZ . TYR A 1 87 ? -0.771 6.672 14.938 1.00 15.93 ? 87 TYR A CZ 1 ATOM 664 O OH . TYR A 1 87 ? -1.066 7.872 14.347 1.00 16.82 ? 87 TYR A OH 1 ATOM 665 N N . PRO A 1 88 ? 2.487 1.685 19.227 1.00 13.67 ? 88 PRO A N 1 ATOM 666 C CA . PRO A 1 88 ? 2.902 0.445 19.886 1.00 14.00 ? 88 PRO A CA 1 ATOM 667 C C . PRO A 1 88 ? 1.944 -0.728 19.699 1.00 14.37 ? 88 PRO A C 1 ATOM 668 O O . PRO A 1 88 ? 2.380 -1.868 19.559 1.00 14.17 ? 88 PRO A O 1 ATOM 669 C CB . PRO A 1 88 ? 2.995 0.864 21.346 1.00 13.83 ? 88 PRO A CB 1 ATOM 670 C CG . PRO A 1 88 ? 3.511 2.259 21.237 1.00 13.60 ? 88 PRO A CG 1 ATOM 671 C CD . PRO A 1 88 ? 2.656 2.838 20.129 1.00 13.62 ? 88 PRO A CD 1 ATOM 672 N N . ASN A 1 89 ? 0.645 -0.435 19.660 1.00 15.02 ? 89 ASN A N 1 ATOM 673 C CA . ASN A 1 89 ? -0.368 -1.470 19.500 1.00 15.86 ? 89 ASN A CA 1 ATOM 674 C C . ASN A 1 89 ? -0.727 -1.827 18.057 1.00 15.96 ? 89 ASN A C 1 ATOM 675 O O . ASN A 1 89 ? -1.601 -2.665 17.831 1.00 16.11 ? 89 ASN A O 1 ATOM 676 C CB . ASN A 1 89 ? -1.630 -1.106 20.291 1.00 16.74 ? 89 ASN A CB 1 ATOM 677 C CG . ASN A 1 89 ? -1.356 -0.926 21.772 1.00 17.60 ? 89 ASN A CG 1 ATOM 678 O OD1 . ASN A 1 89 ? -0.729 -1.775 22.406 1.00 18.63 ? 89 ASN A OD1 1 ATOM 679 N ND2 . ASN A 1 89 ? -1.821 0.186 22.332 1.00 18.26 ? 89 ASN A ND2 1 ATOM 680 N N . ARG A 1 90 ? -0.078 -1.188 17.087 1.00 16.02 ? 90 ARG A N 1 ATOM 681 C CA . ARG A 1 90 ? -0.334 -1.500 15.681 1.00 16.12 ? 90 ARG A CA 1 ATOM 682 C C . ARG A 1 90 ? 0.983 -1.919 15.036 1.00 15.75 ? 90 ARG A C 1 ATOM 683 O O . ARG A 1 90 ? 1.666 -1.130 14.385 1.00 15.46 ? 90 ARG A O 1 ATOM 684 C CB . ARG A 1 90 ? -0.958 -0.319 14.934 1.00 16.94 ? 90 ARG A CB 1 ATOM 685 C CG . ARG A 1 90 ? -1.956 -0.779 13.869 1.00 18.34 ? 90 ARG A CG 1 ATOM 686 C CD . ARG A 1 90 ? -2.430 0.346 12.964 1.00 19.32 ? 90 ARG A CD 1 ATOM 687 N NE . ARG A 1 90 ? -3.003 1.471 13.698 1.00 20.30 ? 90 ARG A NE 1 ATOM 688 C CZ . ARG A 1 90 ? -3.708 2.450 13.137 1.00 20.74 ? 90 ARG A CZ 1 ATOM 689 N NH1 . ARG A 1 90 ? -3.939 2.449 11.829 1.00 21.15 ? 90 ARG A NH1 1 ATOM 690 N NH2 . ARG A 1 90 ? -4.160 3.448 13.879 1.00 21.23 ? 90 ARG A NH2 1 ATOM 691 N N . PHE A 1 91 ? 1.324 -3.185 15.241 1.00 15.49 ? 91 PHE A N 1 ATOM 692 C CA . PHE A 1 91 ? 2.556 -3.760 14.734 1.00 15.43 ? 91 PHE A CA 1 ATOM 693 C C . PHE A 1 91 ? 2.752 -3.737 13.223 1.00 15.28 ? 91 PHE A C 1 ATOM 694 O O . PHE A 1 91 ? 1.805 -3.902 12.452 1.00 15.42 ? 91 PHE A O 1 ATOM 695 C CB . PHE A 1 91 ? 2.684 -5.208 15.214 1.00 15.41 ? 91 PHE A CB 1 ATOM 696 C CG . PHE A 1 91 ? 3.899 -5.904 14.686 1.00 15.32 ? 91 PHE A CG 1 ATOM 697 C CD1 . PHE A 1 91 ? 5.097 -5.844 15.382 1.00 15.39 ? 91 PHE A CD1 1 ATOM 698 C CD2 . PHE A 1 91 ? 3.866 -6.563 13.457 1.00 15.43 ? 91 PHE A CD2 1 ATOM 699 C CE1 . PHE A 1 91 ? 6.243 -6.421 14.864 1.00 15.45 ? 91 PHE A CE1 1 ATOM 700 C CE2 . PHE A 1 91 ? 5.013 -7.142 12.932 1.00 15.55 ? 91 PHE A CE2 1 ATOM 701 C CZ . PHE A 1 91 ? 6.202 -7.069 13.639 1.00 15.55 ? 91 PHE A CZ 1 ATOM 702 N N . GLY A 1 92 ? 4.009 -3.564 12.821 1.00 15.19 ? 92 GLY A N 1 ATOM 703 C CA . GLY A 1 92 ? 4.367 -3.604 11.414 1.00 15.02 ? 92 GLY A CA 1 ATOM 704 C C . GLY A 1 92 ? 4.285 -2.370 10.547 1.00 14.74 ? 92 GLY A C 1 ATOM 705 O O . GLY A 1 92 ? 4.641 -2.446 9.373 1.00 14.74 ? 92 GLY A O 1 ATOM 706 N N . THR A 1 93 ? 3.780 -1.262 11.081 1.00 14.51 ? 93 THR A N 1 ATOM 707 C CA . THR A 1 93 ? 3.685 -0.035 10.301 1.00 14.25 ? 93 THR A CA 1 ATOM 708 C C . THR A 1 93 ? 4.531 1.061 10.919 1.00 13.99 ? 93 THR A C 1 ATOM 709 O O . THR A 1 93 ? 4.418 1.358 12.112 1.00 13.61 ? 93 THR A O 1 ATOM 710 C CB . THR A 1 93 ? 2.238 0.463 10.172 1.00 14.39 ? 93 THR A CB 1 ATOM 711 O OG1 . THR A 1 93 ? 1.428 -0.575 9.606 1.00 14.86 ? 93 THR A OG1 1 ATOM 712 C CG2 . THR A 1 93 ? 2.183 1.684 9.254 1.00 14.50 ? 93 THR A CG2 1 ATOM 713 N N . VAL A 1 94 ? 5.411 1.627 10.103 1.00 13.86 ? 94 VAL A N 1 ATOM 714 C CA . VAL A 1 94 ? 6.289 2.702 10.541 1.00 14.00 ? 94 VAL A CA 1 ATOM 715 C C . VAL A 1 94 ? 6.018 3.947 9.708 1.00 14.28 ? 94 VAL A C 1 ATOM 716 O O . VAL A 1 94 ? 5.932 3.884 8.478 1.00 14.18 ? 94 VAL A O 1 ATOM 717 C CB . VAL A 1 94 ? 7.775 2.312 10.408 1.00 13.77 ? 94 VAL A CB 1 ATOM 718 C CG1 . VAL A 1 94 ? 8.667 3.460 10.883 1.00 13.86 ? 94 VAL A CG1 1 ATOM 719 C CG2 . VAL A 1 94 ? 8.055 1.055 11.214 1.00 13.78 ? 94 VAL A CG2 1 ATOM 720 N N . TYR A 1 95 ? 5.865 5.074 10.395 1.00 14.60 ? 95 TYR A N 1 ATOM 721 C CA . TYR A 1 95 ? 5.599 6.349 9.744 1.00 15.15 ? 95 TYR A CA 1 ATOM 722 C C . TYR A 1 95 ? 6.871 7.187 9.732 1.00 15.62 ? 95 TYR A C 1 ATOM 723 O O . TYR A 1 95 ? 7.418 7.510 10.783 1.00 15.56 ? 95 TYR A O 1 ATOM 724 C CB . TYR A 1 95 ? 4.483 7.085 10.483 1.00 14.94 ? 95 TYR A CB 1 ATOM 725 C CG . TYR A 1 95 ? 3.192 6.300 10.555 1.00 14.92 ? 95 TYR A CG 1 ATOM 726 C CD1 . TYR A 1 95 ? 3.004 5.320 11.527 1.00 14.91 ? 95 TYR A CD1 1 ATOM 727 C CD2 . TYR A 1 95 ? 2.172 6.515 9.628 1.00 15.04 ? 95 TYR A CD2 1 ATOM 728 C CE1 . TYR A 1 95 ? 1.830 4.566 11.574 1.00 15.11 ? 95 TYR A CE1 1 ATOM 729 C CE2 . TYR A 1 95 ? 0.998 5.768 9.664 1.00 15.04 ? 95 TYR A CE2 1 ATOM 730 C CZ . TYR A 1 95 ? 0.837 4.795 10.639 1.00 15.07 ? 95 TYR A CZ 1 ATOM 731 O OH . TYR A 1 95 ? -0.314 4.043 10.672 1.00 15.10 ? 95 TYR A OH 1 ATOM 732 N N . LEU A 1 96 ? 7.346 7.518 8.536 1.00 16.36 ? 96 LEU A N 1 ATOM 733 C CA . LEU A 1 96 ? 8.566 8.305 8.385 1.00 17.19 ? 96 LEU A CA 1 ATOM 734 C C . LEU A 1 96 ? 8.296 9.798 8.269 1.00 17.95 ? 96 LEU A C 1 ATOM 735 O O . LEU A 1 96 ? 7.342 10.218 7.610 1.00 18.20 ? 96 LEU A O 1 ATOM 736 C CB . LEU A 1 96 ? 9.355 7.838 7.153 1.00 16.95 ? 96 LEU A CB 1 ATOM 737 C CG . LEU A 1 96 ? 9.826 6.381 7.066 1.00 16.82 ? 96 LEU A CG 1 ATOM 738 C CD1 . LEU A 1 96 ? 10.432 5.954 8.393 1.00 16.62 ? 96 LEU A CD1 1 ATOM 739 C CD2 . LEU A 1 96 ? 8.672 5.462 6.689 1.00 16.73 ? 96 LEU A CD2 1 ATOM 740 N N . CYS A 1 97 ? 9.154 10.596 8.898 1.00 18.95 ? 97 CYS A N 1 ATOM 741 C CA . CYS A 1 97 ? 9.028 12.046 8.856 1.00 19.90 ? 97 CYS A CA 1 ATOM 742 C C . CYS A 1 97 ? 10.241 12.677 8.163 1.00 20.08 ? 97 CYS A C 1 ATOM 743 O O . CYS A 1 97 ? 11.085 11.969 7.609 1.00 20.02 ? 97 CYS A O 1 ATOM 744 C CB . CYS A 1 97 ? 8.842 12.614 10.265 1.00 20.69 ? 97 CYS A CB 1 ATOM 745 S SG . CYS A 1 97 ? 7.323 12.060 11.112 1.00 21.94 ? 97 CYS A SG 1 ATOM 746 N N . GLY A 1 98 ? 10.337 14.004 8.241 1.00 20.39 ? 98 GLY A N 1 ATOM 747 C CA . GLY A 1 98 ? 11.412 14.746 7.598 1.00 20.53 ? 98 GLY A CA 1 ATOM 748 C C . GLY A 1 98 ? 12.865 14.396 7.873 1.00 20.62 ? 98 GLY A C 1 ATOM 749 O O . GLY A 1 98 ? 13.649 14.256 6.932 1.00 20.66 ? 98 GLY A O 1 ATOM 750 N N . ALA A 1 99 ? 13.232 14.269 9.146 1.00 20.59 ? 99 ALA A N 1 ATOM 751 C CA . ALA A 1 99 ? 14.609 13.954 9.526 1.00 20.64 ? 99 ALA A CA 1 ATOM 752 C C . ALA A 1 99 ? 15.100 12.601 9.020 1.00 20.51 ? 99 ALA A C 1 ATOM 753 O O . ALA A 1 99 ? 16.301 12.374 8.908 1.00 20.69 ? 99 ALA A O 1 ATOM 754 C CB . ALA A 1 99 ? 14.771 14.039 11.041 1.00 20.74 ? 99 ALA A CB 1 ATOM 755 N N . PHE A 1 100 ? 14.169 11.701 8.718 1.00 20.34 ? 100 PHE A N 1 ATOM 756 C CA . PHE A 1 100 ? 14.525 10.375 8.233 1.00 20.10 ? 100 PHE A CA 1 ATOM 757 C C . PHE A 1 100 ? 15.276 10.435 6.902 1.00 20.10 ? 100 PHE A C 1 ATOM 758 O O . PHE A 1 100 ? 16.242 9.705 6.693 1.00 19.91 ? 100 PHE A O 1 ATOM 759 C CB . PHE A 1 100 ? 13.265 9.514 8.085 1.00 19.86 ? 100 PHE A CB 1 ATOM 760 C CG . PHE A 1 100 ? 13.547 8.049 7.900 1.00 19.60 ? 100 PHE A CG 1 ATOM 761 C CD1 . PHE A 1 100 ? 13.792 7.229 8.999 1.00 19.43 ? 100 PHE A CD1 1 ATOM 762 C CD2 . PHE A 1 100 ? 13.558 7.484 6.628 1.00 19.43 ? 100 PHE A CD2 1 ATOM 763 C CE1 . PHE A 1 100 ? 14.042 5.870 8.831 1.00 19.43 ? 100 PHE A CE1 1 ATOM 764 C CE2 . PHE A 1 100 ? 13.809 6.127 6.449 1.00 19.36 ? 100 PHE A CE2 1 ATOM 765 C CZ . PHE A 1 100 ? 14.051 5.317 7.553 1.00 19.39 ? 100 PHE A CZ 1 ATOM 766 N N . TRP A 1 101 ? 14.847 11.331 6.020 1.00 20.20 ? 101 TRP A N 1 ATOM 767 C CA . TRP A 1 101 ? 15.466 11.467 4.705 1.00 20.36 ? 101 TRP A CA 1 ATOM 768 C C . TRP A 1 101 ? 16.812 12.180 4.717 1.00 20.52 ? 101 TRP A C 1 ATOM 769 O O . TRP A 1 101 ? 17.534 12.164 3.723 1.00 20.71 ? 101 TRP A O 1 ATOM 770 C CB . TRP A 1 101 ? 14.487 12.142 3.743 1.00 20.29 ? 101 TRP A CB 1 ATOM 771 C CG . TRP A 1 101 ? 13.148 11.490 3.815 1.00 20.27 ? 101 TRP A CG 1 ATOM 772 C CD1 . TRP A 1 101 ? 11.979 12.057 4.243 1.00 20.36 ? 101 TRP A CD1 1 ATOM 773 C CD2 . TRP A 1 101 ? 12.863 10.104 3.589 1.00 20.15 ? 101 TRP A CD2 1 ATOM 774 N NE1 . TRP A 1 101 ? 10.991 11.104 4.315 1.00 20.19 ? 101 TRP A NE1 1 ATOM 775 C CE2 . TRP A 1 101 ? 11.507 9.897 3.920 1.00 20.19 ? 101 TRP A CE2 1 ATOM 776 C CE3 . TRP A 1 101 ? 13.628 9.013 3.147 1.00 20.16 ? 101 TRP A CE3 1 ATOM 777 C CZ2 . TRP A 1 101 ? 10.896 8.641 3.827 1.00 20.15 ? 101 TRP A CZ2 1 ATOM 778 C CZ3 . TRP A 1 101 ? 13.022 7.766 3.055 1.00 20.01 ? 101 TRP A CZ3 1 ATOM 779 C CH2 . TRP A 1 101 ? 11.668 7.591 3.395 1.00 20.06 ? 101 TRP A CH2 1 ATOM 780 N N . LYS A 1 102 ? 17.151 12.790 5.848 1.00 20.73 ? 102 LYS A N 1 ATOM 781 C CA . LYS A 1 102 ? 18.422 13.494 5.994 1.00 20.76 ? 102 LYS A CA 1 ATOM 782 C C . LYS A 1 102 ? 19.429 12.633 6.760 1.00 20.55 ? 102 LYS A C 1 ATOM 783 O O . LYS A 1 102 ? 20.568 13.042 6.989 1.00 20.71 ? 102 LYS A O 1 ATOM 784 C CB . LYS A 1 102 ? 18.207 14.822 6.725 1.00 21.31 ? 102 LYS A CB 1 ATOM 785 C CG . LYS A 1 102 ? 17.274 15.778 5.997 1.00 21.81 ? 102 LYS A CG 1 ATOM 786 C CD . LYS A 1 102 ? 17.063 17.078 6.760 1.00 22.44 ? 102 LYS A CD 1 ATOM 787 C CE . LYS A 1 102 ? 16.268 16.864 8.042 1.00 22.69 ? 102 LYS A CE 1 ATOM 788 N NZ . LYS A 1 102 ? 15.913 18.154 8.700 1.00 23.11 ? 102 LYS A NZ 1 ATOM 789 N N . ALA A 1 103 ? 19.001 11.434 7.141 1.00 20.03 ? 103 ALA A N 1 ATOM 790 C CA . ALA A 1 103 ? 19.840 10.510 7.893 1.00 19.65 ? 103 ALA A CA 1 ATOM 791 C C . ALA A 1 103 ? 20.488 9.468 6.986 1.00 19.29 ? 103 ALA A C 1 ATOM 792 O O . ALA A 1 103 ? 19.908 9.071 5.975 1.00 19.43 ? 103 ALA A O 1 ATOM 793 C CB . ALA A 1 103 ? 19.003 9.820 8.969 1.00 19.56 ? 103 ALA A CB 1 ATOM 794 N N . PRO A 1 104 ? 21.720 9.039 7.314 1.00 18.97 ? 104 PRO A N 1 ATOM 795 C CA . PRO A 1 104 ? 22.415 8.031 6.505 1.00 18.63 ? 104 PRO A CA 1 ATOM 796 C C . PRO A 1 104 ? 21.746 6.667 6.684 1.00 18.27 ? 104 PRO A C 1 ATOM 797 O O . PRO A 1 104 ? 21.046 6.443 7.674 1.00 18.08 ? 104 PRO A O 1 ATOM 798 C CB . PRO A 1 104 ? 23.827 8.045 7.089 1.00 18.75 ? 104 PRO A CB 1 ATOM 799 C CG . PRO A 1 104 ? 23.588 8.396 8.528 1.00 18.90 ? 104 PRO A CG 1 ATOM 800 C CD . PRO A 1 104 ? 22.581 9.512 8.412 1.00 18.96 ? 104 PRO A CD 1 ATOM 801 N N . THR A 1 105 ? 21.946 5.767 5.726 1.00 17.78 ? 105 THR A N 1 ATOM 802 C CA . THR A 1 105 ? 21.347 4.435 5.794 1.00 17.29 ? 105 THR A CA 1 ATOM 803 C C . THR A 1 105 ? 21.778 3.715 7.070 1.00 16.82 ? 105 THR A C 1 ATOM 804 O O . THR A 1 105 ? 20.949 3.164 7.795 1.00 16.66 ? 105 THR A O 1 ATOM 805 C CB . THR A 1 105 ? 21.729 3.580 4.572 1.00 17.65 ? 105 THR A CB 1 ATOM 806 O OG1 . THR A 1 105 ? 21.360 4.273 3.372 1.00 17.92 ? 105 THR A OG1 1 ATOM 807 C CG2 . THR A 1 105 ? 21.004 2.240 4.613 1.00 17.85 ? 105 THR A CG2 1 ATOM 808 N N . THR A 1 106 ? 23.079 3.738 7.339 1.00 16.27 ? 106 THR A N 1 ATOM 809 C CA . THR A 1 106 ? 23.628 3.104 8.529 1.00 15.67 ? 106 THR A CA 1 ATOM 810 C C . THR A 1 106 ? 24.495 4.097 9.288 1.00 15.28 ? 106 THR A C 1 ATOM 811 O O . THR A 1 106 ? 24.872 5.143 8.755 1.00 15.08 ? 106 THR A O 1 ATOM 812 C CB . THR A 1 106 ? 24.454 1.849 8.182 1.00 15.88 ? 106 THR A CB 1 ATOM 813 O OG1 . THR A 1 106 ? 25.509 2.198 7.276 1.00 16.20 ? 106 THR A OG1 1 ATOM 814 C CG2 . THR A 1 106 ? 23.562 0.788 7.544 1.00 16.06 ? 106 THR A CG2 1 ATOM 815 N N . GLY A 1 107 ? 24.779 3.772 10.545 1.00 14.63 ? 107 GLY A N 1 ATOM 816 C CA . GLY A 1 107 ? 25.586 4.645 11.380 1.00 14.29 ? 107 GLY A CA 1 ATOM 817 C C . GLY A 1 107 ? 24.763 5.224 12.514 1.00 13.88 ? 107 GLY A C 1 ATOM 818 O O . GLY A 1 107 ? 23.681 4.724 12.819 1.00 13.82 ? 107 GLY A O 1 ATOM 819 N N . THR A 1 108 ? 25.269 6.280 13.141 1.00 13.53 ? 108 THR A N 1 ATOM 820 C CA . THR A 1 108 ? 24.567 6.921 14.248 1.00 13.39 ? 108 THR A CA 1 ATOM 821 C C . THR A 1 108 ? 23.359 7.710 13.766 1.00 13.43 ? 108 THR A C 1 ATOM 822 O O . THR A 1 108 ? 23.451 8.459 12.794 1.00 13.43 ? 108 THR A O 1 ATOM 823 C CB . THR A 1 108 ? 25.509 7.845 15.033 1.00 13.31 ? 108 THR A CB 1 ATOM 824 O OG1 . THR A 1 108 ? 26.606 7.072 15.524 1.00 13.08 ? 108 THR A OG1 1 ATOM 825 C CG2 . THR A 1 108 ? 24.785 8.476 16.215 1.00 13.23 ? 108 THR A CG2 1 ATOM 826 N N . ASP A 1 109 ? 22.232 7.534 14.458 1.00 13.38 ? 109 ASP A N 1 ATOM 827 C CA . ASP A 1 109 ? 20.978 8.204 14.110 1.00 13.59 ? 109 ASP A CA 1 ATOM 828 C C . ASP A 1 109 ? 20.681 7.972 12.631 1.00 13.24 ? 109 ASP A C 1 ATOM 829 O O . ASP A 1 109 ? 20.276 8.881 11.899 1.00 13.30 ? 109 ASP A O 1 ATOM 830 C CB . ASP A 1 109 ? 21.054 9.705 14.416 1.00 14.18 ? 109 ASP A CB 1 ATOM 831 C CG . ASP A 1 109 ? 21.009 10.006 15.906 1.00 15.07 ? 109 ASP A CG 1 ATOM 832 O OD1 . ASP A 1 109 ? 20.467 9.186 16.677 1.00 15.36 ? 109 ASP A OD1 1 ATOM 833 O OD2 . ASP A 1 109 ? 21.491 11.089 16.306 1.00 15.95 ? 109 ASP A OD2 1 ATOM 834 N N . SER A 1 110 ? 20.915 6.738 12.203 1.00 12.94 ? 110 SER A N 1 ATOM 835 C CA . SER A 1 110 ? 20.707 6.338 10.822 1.00 12.43 ? 110 SER A CA 1 ATOM 836 C C . SER A 1 110 ? 19.284 5.889 10.563 1.00 12.39 ? 110 SER A C 1 ATOM 837 O O . SER A 1 110 ? 18.497 5.725 11.490 1.00 12.02 ? 110 SER A O 1 ATOM 838 C CB . SER A 1 110 ? 21.657 5.198 10.472 1.00 12.49 ? 110 SER A CB 1 ATOM 839 O OG . SER A 1 110 ? 21.434 4.066 11.301 1.00 12.29 ? 110 SER A OG 1 ATOM 840 N N . GLN A 1 111 ? 18.970 5.682 9.290 1.00 12.28 ? 111 GLN A N 1 ATOM 841 C CA . GLN A 1 111 ? 17.642 5.229 8.898 1.00 12.22 ? 111 GLN A CA 1 ATOM 842 C C . GLN A 1 111 ? 17.426 3.820 9.428 1.00 11.82 ? 111 GLN A C 1 ATOM 843 O O . GLN A 1 111 ? 16.355 3.495 9.948 1.00 11.83 ? 111 GLN A O 1 ATOM 844 C CB . GLN A 1 111 ? 17.515 5.239 7.377 1.00 12.55 ? 111 GLN A CB 1 ATOM 845 C CG . GLN A 1 111 ? 17.559 6.627 6.765 1.00 13.37 ? 111 GLN A CG 1 ATOM 846 C CD . GLN A 1 111 ? 17.472 6.585 5.258 1.00 13.79 ? 111 GLN A CD 1 ATOM 847 O OE1 . GLN A 1 111 ? 17.791 5.573 4.642 1.00 14.69 ? 111 GLN A OE1 1 ATOM 848 N NE2 . GLN A 1 111 ? 17.022 7.680 4.656 1.00 14.08 ? 111 GLN A NE2 1 ATOM 849 N N . ALA A 1 112 ? 18.453 2.983 9.289 1.00 11.47 ? 112 ALA A N 1 ATOM 850 C CA . ALA A 1 112 ? 18.400 1.607 9.764 1.00 11.07 ? 112 ALA A CA 1 ATOM 851 C C . ALA A 1 112 ? 18.244 1.595 11.281 1.00 10.76 ? 112 ALA A C 1 ATOM 852 O O . ALA A 1 112 ? 17.448 0.831 11.825 1.00 10.85 ? 112 ALA A O 1 ATOM 853 C CB . ALA A 1 112 ? 19.663 0.864 9.364 1.00 11.08 ? 112 ALA A CB 1 ATOM 854 N N . GLY A 1 113 ? 19.018 2.445 11.950 1.00 10.45 ? 113 GLY A N 1 ATOM 855 C CA . GLY A 1 113 ? 18.958 2.536 13.399 1.00 10.09 ? 113 GLY A CA 1 ATOM 856 C C . GLY A 1 113 ? 17.611 3.042 13.873 1.00 9.95 ? 113 GLY A C 1 ATOM 857 O O . GLY A 1 113 ? 17.120 2.631 14.925 1.00 9.86 ? 113 GLY A O 1 ATOM 858 N N . THR A 1 114 ? 17.013 3.949 13.105 1.00 9.67 ? 114 THR A N 1 ATOM 859 C CA . THR A 1 114 ? 15.707 4.497 13.454 1.00 9.85 ? 114 THR A CA 1 ATOM 860 C C . THR A 1 114 ? 14.659 3.389 13.408 1.00 9.69 ? 114 THR A C 1 ATOM 861 O O . THR A 1 114 ? 13.758 3.349 14.243 1.00 9.59 ? 114 THR A O 1 ATOM 862 C CB . THR A 1 114 ? 15.306 5.649 12.506 1.00 10.03 ? 114 THR A CB 1 ATOM 863 O OG1 . THR A 1 114 ? 16.175 6.764 12.728 1.00 10.74 ? 114 THR A OG1 1 ATOM 864 C CG2 . THR A 1 114 ? 13.865 6.092 12.761 1.00 10.30 ? 114 THR A CG2 1 ATOM 865 N N . LEU A 1 115 ? 14.777 2.488 12.435 1.00 9.75 ? 115 LEU A N 1 ATOM 866 C CA . LEU A 1 115 ? 13.837 1.372 12.339 1.00 9.90 ? 115 LEU A CA 1 ATOM 867 C C . LEU A 1 115 ? 13.978 0.435 13.543 1.00 9.87 ? 115 LEU A C 1 ATOM 868 O O . LEU A 1 115 ? 12.994 -0.151 13.995 1.00 9.81 ? 115 LEU A O 1 ATOM 869 C CB . LEU A 1 115 ? 14.018 0.609 11.025 1.00 9.91 ? 115 LEU A CB 1 ATOM 870 C CG . LEU A 1 115 ? 13.782 1.456 9.772 1.00 9.90 ? 115 LEU A CG 1 ATOM 871 C CD1 . LEU A 1 115 ? 13.917 0.589 8.538 1.00 10.29 ? 115 LEU A CD1 1 ATOM 872 C CD2 . LEU A 1 115 ? 12.402 2.106 9.820 1.00 10.24 ? 115 LEU A CD2 1 ATOM 873 N N . VAL A 1 116 ? 15.197 0.286 14.063 1.00 9.83 ? 116 VAL A N 1 ATOM 874 C CA . VAL A 1 116 ? 15.414 -0.555 15.244 1.00 10.01 ? 116 VAL A CA 1 ATOM 875 C C . VAL A 1 116 ? 14.710 0.123 16.424 1.00 10.04 ? 116 VAL A C 1 ATOM 876 O O . VAL A 1 116 ? 14.009 -0.526 17.205 1.00 10.45 ? 116 VAL A O 1 ATOM 877 C CB . VAL A 1 116 ? 16.923 -0.723 15.570 1.00 9.95 ? 116 VAL A CB 1 ATOM 878 C CG1 . VAL A 1 116 ? 17.101 -1.415 16.923 1.00 10.11 ? 116 VAL A CG1 1 ATOM 879 C CG2 . VAL A 1 116 ? 17.609 -1.535 14.479 1.00 10.39 ? 116 VAL A CG2 1 ATOM 880 N N . HIS A 1 117 ? 14.906 1.435 16.528 1.00 9.99 ? 117 HIS A N 1 ATOM 881 C CA . HIS A 1 117 ? 14.302 2.266 17.568 1.00 9.84 ? 117 HIS A CA 1 ATOM 882 C C . HIS A 1 117 ? 12.784 2.091 17.533 1.00 9.84 ? 117 HIS A C 1 ATOM 883 O O . HIS A 1 117 ? 12.164 1.745 18.535 1.00 9.61 ? 117 HIS A O 1 ATOM 884 C CB . HIS A 1 117 ? 14.674 3.740 17.309 1.00 9.92 ? 117 HIS A CB 1 ATOM 885 C CG . HIS A 1 117 ? 14.005 4.724 18.222 1.00 9.99 ? 117 HIS A CG 1 ATOM 886 N ND1 . HIS A 1 117 ? 14.685 5.626 19.010 1.00 9.90 ? 117 HIS A ND1 1 ATOM 887 C CD2 . HIS A 1 117 ? 12.688 4.987 18.421 1.00 10.03 ? 117 HIS A CD2 1 ATOM 888 C CE1 . HIS A 1 117 ? 13.784 6.391 19.642 1.00 10.18 ? 117 HIS A CE1 1 ATOM 889 N NE2 . HIS A 1 117 ? 12.555 6.040 19.319 1.00 10.05 ? 117 HIS A NE2 1 ATOM 890 N N . GLU A 1 118 ? 12.197 2.282 16.355 1.00 9.93 ? 118 GLU A N 1 ATOM 891 C CA . GLU A 1 118 ? 10.753 2.171 16.210 1.00 10.35 ? 118 GLU A CA 1 ATOM 892 C C . GLU A 1 118 ? 10.238 0.758 16.444 1.00 10.44 ? 118 GLU A C 1 ATOM 893 O O . GLU A 1 118 ? 9.178 0.571 17.037 1.00 10.44 ? 118 GLU A O 1 ATOM 894 C CB . GLU A 1 118 ? 10.310 2.688 14.837 1.00 10.72 ? 118 GLU A CB 1 ATOM 895 C CG . GLU A 1 118 ? 10.638 4.157 14.597 1.00 11.69 ? 118 GLU A CG 1 ATOM 896 C CD . GLU A 1 118 ? 10.058 5.092 15.654 1.00 12.08 ? 118 GLU A CD 1 ATOM 897 O OE1 . GLU A 1 118 ? 8.996 4.779 16.242 1.00 12.44 ? 118 GLU A OE1 1 ATOM 898 O OE2 . GLU A 1 118 ? 10.669 6.160 15.885 1.00 12.92 ? 118 GLU A OE2 1 ATOM 899 N N . SER A 1 119 ? 10.981 -0.239 15.975 1.00 10.41 ? 119 SER A N 1 ATOM 900 C CA . SER A 1 119 ? 10.575 -1.627 16.165 1.00 10.32 ? 119 SER A CA 1 ATOM 901 C C . SER A 1 119 ? 10.478 -1.958 17.657 1.00 10.02 ? 119 SER A C 1 ATOM 902 O O . SER A 1 119 ? 9.551 -2.641 18.088 1.00 9.85 ? 119 SER A O 1 ATOM 903 C CB . SER A 1 119 ? 11.571 -2.572 15.491 1.00 10.66 ? 119 SER A CB 1 ATOM 904 O OG . SER A 1 119 ? 11.160 -3.922 15.605 1.00 11.42 ? 119 SER A OG 1 ATOM 905 N N . SER A 1 120 ? 11.411 -1.434 18.446 1.00 9.81 ? 120 SER A N 1 ATOM 906 C CA . SER A 1 120 ? 11.420 -1.702 19.879 1.00 9.52 ? 120 SER A CA 1 ATOM 907 C C . SER A 1 120 ? 10.181 -1.155 20.582 1.00 9.33 ? 120 SER A C 1 ATOM 908 O O . SER A 1 120 ? 9.835 -1.608 21.668 1.00 9.12 ? 120 SER A O 1 ATOM 909 C CB . SER A 1 120 ? 12.704 -1.167 20.537 1.00 9.65 ? 120 SER A CB 1 ATOM 910 O OG . SER A 1 120 ? 12.689 0.242 20.705 1.00 9.96 ? 120 SER A OG 1 ATOM 911 N N . HIS A 1 121 ? 9.522 -0.184 19.954 1.00 9.15 ? 121 HIS A N 1 ATOM 912 C CA . HIS A 1 121 ? 8.317 0.420 20.513 1.00 9.34 ? 121 HIS A CA 1 ATOM 913 C C . HIS A 1 121 ? 7.100 -0.492 20.474 1.00 9.43 ? 121 HIS A C 1 ATOM 914 O O . HIS A 1 121 ? 6.198 -0.355 21.305 1.00 9.47 ? 121 HIS A O 1 ATOM 915 C CB . HIS A 1 121 ? 7.986 1.723 19.789 1.00 8.99 ? 121 HIS A CB 1 ATOM 916 C CG . HIS A 1 121 ? 8.734 2.911 20.304 1.00 8.69 ? 121 HIS A CG 1 ATOM 917 N ND1 . HIS A 1 121 ? 8.982 3.150 21.638 1.00 8.73 ? 121 HIS A ND1 1 ATOM 918 C CD2 . HIS A 1 121 ? 9.270 3.962 19.637 1.00 8.72 ? 121 HIS A CD2 1 ATOM 919 C CE1 . HIS A 1 121 ? 9.641 4.311 21.733 1.00 8.77 ? 121 HIS A CE1 1 ATOM 920 N NE2 . HIS A 1 121 ? 9.839 4.846 20.544 1.00 8.87 ? 121 HIS A NE2 1 ATOM 921 N N . PHE A 1 122 ? 7.046 -1.394 19.497 1.00 9.71 ? 122 PHE A N 1 ATOM 922 C CA . PHE A 1 122 ? 5.902 -2.300 19.391 1.00 10.28 ? 122 PHE A CA 1 ATOM 923 C C . PHE A 1 122 ? 5.795 -3.156 20.646 1.00 10.78 ? 122 PHE A C 1 ATOM 924 O O . PHE A 1 122 ? 6.796 -3.676 21.132 1.00 10.61 ? 122 PHE A O 1 ATOM 925 C CB . PHE A 1 122 ? 6.017 -3.191 18.150 1.00 10.00 ? 122 PHE A CB 1 ATOM 926 C CG . PHE A 1 122 ? 5.961 -2.438 16.853 1.00 10.15 ? 122 PHE A CG 1 ATOM 927 C CD1 . PHE A 1 122 ? 6.941 -2.628 15.881 1.00 10.15 ? 122 PHE A CD1 1 ATOM 928 C CD2 . PHE A 1 122 ? 4.930 -1.537 16.599 1.00 10.06 ? 122 PHE A CD2 1 ATOM 929 C CE1 . PHE A 1 122 ? 6.899 -1.935 14.678 1.00 10.21 ? 122 PHE A CE1 1 ATOM 930 C CE2 . PHE A 1 122 ? 4.876 -0.838 15.399 1.00 10.33 ? 122 PHE A CE2 1 ATOM 931 C CZ . PHE A 1 122 ? 5.863 -1.037 14.434 1.00 10.34 ? 122 PHE A CZ 1 ATOM 932 N N . THR A 1 123 ? 4.582 -3.278 21.180 1.00 11.43 ? 123 THR A N 1 ATOM 933 C CA . THR A 1 123 ? 4.354 -4.066 22.390 1.00 12.33 ? 123 THR A CA 1 ATOM 934 C C . THR A 1 123 ? 4.813 -5.514 22.233 1.00 12.56 ? 123 THR A C 1 ATOM 935 O O . THR A 1 123 ? 5.338 -6.104 23.175 1.00 12.74 ? 123 THR A O 1 ATOM 936 C CB . THR A 1 123 ? 2.873 -4.018 22.835 1.00 12.59 ? 123 THR A CB 1 ATOM 937 O OG1 . THR A 1 123 ? 2.037 -4.558 21.805 1.00 13.13 ? 123 THR A OG1 1 ATOM 938 C CG2 . THR A 1 123 ? 2.457 -2.579 23.114 1.00 12.75 ? 123 THR A CG2 1 ATOM 939 N N . ARG A 1 124 ? 4.655 -6.063 21.030 1.00 13.01 ? 124 ARG A N 1 ATOM 940 C CA . ARG A 1 124 ? 5.068 -7.434 20.741 1.00 13.50 ? 124 ARG A CA 1 ATOM 941 C C . ARG A 1 124 ? 6.579 -7.613 20.940 1.00 13.35 ? 124 ARG A C 1 ATOM 942 O O . ARG A 1 124 ? 7.040 -8.699 21.287 1.00 13.38 ? 124 ARG A O 1 ATOM 943 C CB . ARG A 1 124 ? 4.706 -7.794 19.296 1.00 14.36 ? 124 ARG A CB 1 ATOM 944 C CG . ARG A 1 124 ? 5.217 -9.155 18.845 1.00 15.47 ? 124 ARG A CG 1 ATOM 945 C CD . ARG A 1 124 ? 5.117 -9.303 17.345 1.00 16.28 ? 124 ARG A CD 1 ATOM 946 N NE . ARG A 1 124 ? 3.770 -9.013 16.867 1.00 16.99 ? 124 ARG A NE 1 ATOM 947 C CZ . ARG A 1 124 ? 3.368 -9.167 15.610 1.00 17.16 ? 124 ARG A CZ 1 ATOM 948 N NH1 . ARG A 1 124 ? 4.210 -9.616 14.690 1.00 17.52 ? 124 ARG A NH1 1 ATOM 949 N NH2 . ARG A 1 124 ? 2.121 -8.864 15.275 1.00 17.39 ? 124 ARG A NH2 1 ATOM 950 N N . ASN A 1 125 ? 7.332 -6.533 20.738 1.00 13.02 ? 125 ASN A N 1 ATOM 951 C CA . ASN A 1 125 ? 8.790 -6.545 20.861 1.00 12.84 ? 125 ASN A CA 1 ATOM 952 C C . ASN A 1 125 ? 9.350 -6.061 22.196 1.00 12.76 ? 125 ASN A C 1 ATOM 953 O O . ASN A 1 125 ? 10.569 -6.026 22.381 1.00 12.97 ? 125 ASN A O 1 ATOM 954 C CB . ASN A 1 125 ? 9.412 -5.724 19.727 1.00 12.77 ? 125 ASN A CB 1 ATOM 955 C CG . ASN A 1 125 ? 9.161 -6.332 18.362 1.00 12.68 ? 125 ASN A CG 1 ATOM 956 O OD1 . ASN A 1 125 ? 9.055 -7.548 18.225 1.00 12.90 ? 125 ASN A OD1 1 ATOM 957 N ND2 . ASN A 1 125 ? 9.085 -5.488 17.341 1.00 12.84 ? 125 ASN A ND2 1 ATOM 958 N N . GLY A 1 126 ? 8.476 -5.646 23.107 1.00 12.75 ? 126 GLY A N 1 ATOM 959 C CA . GLY A 1 126 ? 8.945 -5.176 24.400 1.00 12.46 ? 126 GLY A CA 1 ATOM 960 C C . GLY A 1 126 ? 8.321 -3.866 24.838 1.00 12.30 ? 126 GLY A C 1 ATOM 961 O O . GLY A 1 126 ? 8.402 -3.500 26.009 1.00 12.59 ? 126 GLY A O 1 ATOM 962 N N . GLY A 1 127 ? 7.734 -3.143 23.888 1.00 12.02 ? 127 GLY A N 1 ATOM 963 C CA . GLY A 1 127 ? 7.085 -1.882 24.201 1.00 11.65 ? 127 GLY A CA 1 ATOM 964 C C . GLY A 1 127 ? 7.952 -0.848 24.893 1.00 11.51 ? 127 GLY A C 1 ATOM 965 O O . GLY A 1 127 ? 7.585 -0.343 25.952 1.00 11.57 ? 127 GLY A O 1 ATOM 966 N N . THR A 1 128 ? 9.112 -0.545 24.314 1.00 11.31 ? 128 THR A N 1 ATOM 967 C CA . THR A 1 128 ? 10.006 0.458 24.888 1.00 11.22 ? 128 THR A CA 1 ATOM 968 C C . THR A 1 128 ? 9.338 1.828 24.837 1.00 11.29 ? 128 THR A C 1 ATOM 969 O O . THR A 1 128 ? 8.401 2.051 24.069 1.00 11.43 ? 128 THR A O 1 ATOM 970 C CB . THR A 1 128 ? 11.335 0.577 24.104 1.00 10.90 ? 128 THR A CB 1 ATOM 971 O OG1 . THR A 1 128 ? 11.057 0.963 22.750 1.00 10.54 ? 128 THR A OG1 1 ATOM 972 C CG2 . THR A 1 128 ? 12.101 -0.746 24.122 1.00 11.08 ? 128 THR A CG2 1 ATOM 973 N N . LYS A 1 129 ? 9.838 2.748 25.652 1.00 11.54 ? 129 LYS A N 1 ATOM 974 C CA . LYS A 1 129 ? 9.314 4.104 25.690 1.00 11.95 ? 129 LYS A CA 1 ATOM 975 C C . LYS A 1 129 ? 10.427 5.070 25.298 1.00 12.13 ? 129 LYS A C 1 ATOM 976 O O . LYS A 1 129 ? 11.526 4.647 24.937 1.00 11.94 ? 129 LYS A O 1 ATOM 977 C CB . LYS A 1 129 ? 8.806 4.434 27.095 1.00 12.39 ? 129 LYS A CB 1 ATOM 978 C CG . LYS A 1 129 ? 7.676 3.543 27.567 1.00 13.19 ? 129 LYS A CG 1 ATOM 979 C CD . LYS A 1 129 ? 6.431 3.720 26.710 1.00 14.05 ? 129 LYS A CD 1 ATOM 980 C CE . LYS A 1 129 ? 5.322 2.784 27.150 1.00 14.65 ? 129 LYS A CE 1 ATOM 981 N NZ . LYS A 1 129 ? 4.960 2.990 28.579 1.00 15.48 ? 129 LYS A NZ 1 ATOM 982 N N . ASP A 1 130 ? 10.131 6.365 25.348 1.00 12.26 ? 130 ASP A N 1 ATOM 983 C CA . ASP A 1 130 ? 11.114 7.386 25.012 1.00 12.54 ? 130 ASP A CA 1 ATOM 984 C C . ASP A 1 130 ? 11.444 8.252 26.225 1.00 12.74 ? 130 ASP A C 1 ATOM 985 O O . ASP A 1 130 ? 10.913 9.353 26.382 1.00 13.14 ? 130 ASP A O 1 ATOM 986 C CB . ASP A 1 130 ? 10.605 8.269 23.870 1.00 12.62 ? 130 ASP A CB 1 ATOM 987 C CG . ASP A 1 130 ? 10.516 7.530 22.554 1.00 12.70 ? 130 ASP A CG 1 ATOM 988 O OD1 . ASP A 1 130 ? 11.528 6.936 22.134 1.00 12.60 ? 130 ASP A OD1 1 ATOM 989 O OD2 . ASP A 1 130 ? 9.434 7.551 21.935 1.00 13.40 ? 130 ASP A OD2 1 ATOM 990 N N . TYR A 1 131 ? 12.306 7.732 27.092 1.00 12.95 ? 131 TYR A N 1 ATOM 991 C CA . TYR A 1 131 ? 12.730 8.444 28.296 1.00 13.18 ? 131 TYR A CA 1 ATOM 992 C C . TYR A 1 131 ? 13.887 9.393 28.008 1.00 13.36 ? 131 TYR A C 1 ATOM 993 O O . TYR A 1 131 ? 14.090 10.369 28.730 1.00 13.70 ? 131 TYR A O 1 ATOM 994 C CB . TYR A 1 131 ? 13.177 7.449 29.366 1.00 13.28 ? 131 TYR A CB 1 ATOM 995 C CG . TYR A 1 131 ? 12.081 6.554 29.875 1.00 13.36 ? 131 TYR A CG 1 ATOM 996 C CD1 . TYR A 1 131 ? 12.041 5.202 29.532 1.00 13.42 ? 131 TYR A CD1 1 ATOM 997 C CD2 . TYR A 1 131 ? 11.081 7.056 30.705 1.00 13.60 ? 131 TYR A CD2 1 ATOM 998 C CE1 . TYR A 1 131 ? 11.030 4.373 30.002 1.00 13.54 ? 131 TYR A CE1 1 ATOM 999 C CE2 . TYR A 1 131 ? 10.066 6.237 31.181 1.00 13.70 ? 131 TYR A CE2 1 ATOM 1000 C CZ . TYR A 1 131 ? 10.046 4.901 30.827 1.00 13.70 ? 131 TYR A CZ 1 ATOM 1001 O OH . TYR A 1 131 ? 9.042 4.097 31.300 1.00 13.95 ? 131 TYR A OH 1 ATOM 1002 N N . ALA A 1 132 ? 14.655 9.087 26.965 1.00 13.25 ? 132 ALA A N 1 ATOM 1003 C CA . ALA A 1 132 ? 15.808 9.898 26.595 1.00 13.16 ? 132 ALA A CA 1 ATOM 1004 C C . ALA A 1 132 ? 16.113 9.803 25.107 1.00 13.26 ? 132 ALA A C 1 ATOM 1005 O O . ALA A 1 132 ? 15.942 8.746 24.495 1.00 12.89 ? 132 ALA A O 1 ATOM 1006 C CB . ALA A 1 132 ? 17.023 9.460 27.397 1.00 13.36 ? 132 ALA A CB 1 ATOM 1007 N N . TYR A 1 133 ? 16.557 10.922 24.539 1.00 13.46 ? 133 TYR A N 1 ATOM 1008 C CA . TYR A 1 133 ? 16.921 11.012 23.126 1.00 13.79 ? 133 TYR A CA 1 ATOM 1009 C C . TYR A 1 133 ? 18.379 11.421 22.989 1.00 13.52 ? 133 TYR A C 1 ATOM 1010 O O . TYR A 1 133 ? 18.861 12.273 23.734 1.00 13.72 ? 133 TYR A O 1 ATOM 1011 C CB . TYR A 1 133 ? 16.095 12.080 22.412 1.00 14.45 ? 133 TYR A CB 1 ATOM 1012 C CG . TYR A 1 133 ? 14.666 11.717 22.099 1.00 15.30 ? 133 TYR A CG 1 ATOM 1013 C CD1 . TYR A 1 133 ? 13.653 12.659 22.257 1.00 15.71 ? 133 TYR A CD1 1 ATOM 1014 C CD2 . TYR A 1 133 ? 14.328 10.456 21.607 1.00 15.58 ? 133 TYR A CD2 1 ATOM 1015 C CE1 . TYR A 1 133 ? 12.343 12.366 21.933 1.00 16.01 ? 133 TYR A CE1 1 ATOM 1016 C CE2 . TYR A 1 133 ? 13.010 10.150 21.278 1.00 16.00 ? 133 TYR A CE2 1 ATOM 1017 C CZ . TYR A 1 133 ? 12.025 11.118 21.444 1.00 16.10 ? 133 TYR A CZ 1 ATOM 1018 O OH . TYR A 1 133 ? 10.719 10.862 21.117 1.00 16.58 ? 133 TYR A OH 1 ATOM 1019 N N . GLY A 1 134 ? 19.057 10.866 21.990 1.00 13.23 ? 134 GLY A N 1 ATOM 1020 C CA . GLY A 1 134 ? 20.449 11.213 21.763 1.00 12.99 ? 134 GLY A CA 1 ATOM 1021 C C . GLY A 1 134 ? 21.422 10.391 22.579 1.00 12.85 ? 134 GLY A C 1 ATOM 1022 O O . GLY A 1 134 ? 21.090 9.928 23.671 1.00 12.55 ? 134 GLY A O 1 ATOM 1023 N N . GLN A 1 135 ? 22.633 10.229 22.052 1.00 12.90 ? 135 GLN A N 1 ATOM 1024 C CA . GLN A 1 135 ? 23.666 9.449 22.726 1.00 13.05 ? 135 GLN A CA 1 ATOM 1025 C C . GLN A 1 135 ? 24.000 9.952 24.122 1.00 12.96 ? 135 GLN A C 1 ATOM 1026 O O . GLN A 1 135 ? 24.100 9.159 25.053 1.00 12.98 ? 135 GLN A O 1 ATOM 1027 C CB . GLN A 1 135 ? 24.943 9.391 21.888 1.00 13.34 ? 135 GLN A CB 1 ATOM 1028 C CG . GLN A 1 135 ? 24.845 8.515 20.653 1.00 13.97 ? 135 GLN A CG 1 ATOM 1029 C CD . GLN A 1 135 ? 26.193 7.958 20.237 1.00 14.36 ? 135 GLN A CD 1 ATOM 1030 O OE1 . GLN A 1 135 ? 27.223 8.270 20.841 1.00 15.07 ? 135 GLN A OE1 1 ATOM 1031 N NE2 . GLN A 1 135 ? 26.192 7.105 19.225 1.00 14.42 ? 135 GLN A NE2 1 ATOM 1032 N N . ALA A 1 136 ? 24.170 11.264 24.265 1.00 12.96 ? 136 ALA A N 1 ATOM 1033 C CA . ALA A 1 136 ? 24.494 11.850 25.563 1.00 12.92 ? 136 ALA A CA 1 ATOM 1034 C C . ALA A 1 136 ? 23.451 11.508 26.627 1.00 12.86 ? 136 ALA A C 1 ATOM 1035 O O . ALA A 1 136 ? 23.792 10.987 27.694 1.00 13.01 ? 136 ALA A O 1 ATOM 1036 C CB . ALA A 1 136 ? 24.656 13.358 25.436 1.00 13.08 ? 136 ALA A CB 1 ATOM 1037 N N . ALA A 1 137 ? 22.181 11.778 26.330 1.00 12.68 ? 137 ALA A N 1 ATOM 1038 C CA . ALA A 1 137 ? 21.102 11.499 27.272 1.00 12.54 ? 137 ALA A CA 1 ATOM 1039 C C . ALA A 1 137 ? 20.903 9.999 27.497 1.00 12.45 ? 137 ALA A C 1 ATOM 1040 O O . ALA A 1 137 ? 20.594 9.570 28.608 1.00 12.23 ? 137 ALA A O 1 ATOM 1041 C CB . ALA A 1 137 ? 19.803 12.154 26.808 1.00 12.69 ? 137 ALA A CB 1 ATOM 1042 N N . ALA A 1 138 ? 21.086 9.202 26.446 1.00 12.25 ? 138 ALA A N 1 ATOM 1043 C CA . ALA A 1 138 ? 20.938 7.752 26.564 1.00 12.29 ? 138 ALA A CA 1 ATOM 1044 C C . ALA A 1 138 ? 22.013 7.185 27.495 1.00 12.54 ? 138 ALA A C 1 ATOM 1045 O O . ALA A 1 138 ? 21.731 6.338 28.345 1.00 12.19 ? 138 ALA A O 1 ATOM 1046 C CB . ALA A 1 138 ? 21.013 7.095 25.184 1.00 12.18 ? 138 ALA A CB 1 ATOM 1047 N N . LYS A 1 139 ? 23.245 7.664 27.345 1.00 12.91 ? 139 LYS A N 1 ATOM 1048 C CA . LYS A 1 139 ? 24.334 7.202 28.198 1.00 13.42 ? 139 LYS A CA 1 ATOM 1049 C C . LYS A 1 139 ? 24.083 7.619 29.642 1.00 13.60 ? 139 LYS A C 1 ATOM 1050 O O . LYS A 1 139 ? 24.313 6.840 30.566 1.00 13.32 ? 139 LYS A O 1 ATOM 1051 C CB . LYS A 1 139 ? 25.678 7.747 27.714 1.00 13.95 ? 139 LYS A CB 1 ATOM 1052 C CG . LYS A 1 139 ? 26.188 7.086 26.445 1.00 14.61 ? 139 LYS A CG 1 ATOM 1053 C CD . LYS A 1 139 ? 27.565 7.603 26.036 1.00 15.44 ? 139 LYS A CD 1 ATOM 1054 C CE . LYS A 1 139 ? 27.530 9.054 25.572 1.00 16.25 ? 139 LYS A CE 1 ATOM 1055 N NZ . LYS A 1 139 ? 27.292 10.040 26.666 1.00 17.03 ? 139 LYS A NZ 1 ATOM 1056 N N . SER A 1 140 ? 23.571 8.835 29.827 1.00 13.82 ? 140 SER A N 1 ATOM 1057 C CA . SER A 1 140 ? 23.270 9.344 31.161 1.00 14.30 ? 140 SER A CA 1 ATOM 1058 C C . SER A 1 140 ? 22.170 8.495 31.799 1.00 14.28 ? 140 SER A C 1 ATOM 1059 O O . SER A 1 140 ? 22.230 8.175 32.988 1.00 14.33 ? 140 SER A O 1 ATOM 1060 C CB . SER A 1 140 ? 22.823 10.808 31.089 1.00 14.67 ? 140 SER A CB 1 ATOM 1061 O OG . SER A 1 140 ? 22.682 11.358 32.388 1.00 15.74 ? 140 SER A OG 1 ATOM 1062 N N . LEU A 1 141 ? 21.173 8.119 31.000 1.00 14.23 ? 141 LEU A N 1 ATOM 1063 C CA . LEU A 1 141 ? 20.067 7.298 31.484 1.00 14.27 ? 141 LEU A CA 1 ATOM 1064 C C . LEU A 1 141 ? 20.580 5.927 31.925 1.00 14.37 ? 141 LEU A C 1 ATOM 1065 O O . LEU A 1 141 ? 20.166 5.410 32.962 1.00 14.25 ? 141 LEU A O 1 ATOM 1066 C CB . LEU A 1 141 ? 19.000 7.138 30.391 1.00 14.07 ? 141 LEU A CB 1 ATOM 1067 C CG . LEU A 1 141 ? 17.702 6.422 30.773 1.00 14.22 ? 141 LEU A CG 1 ATOM 1068 C CD1 . LEU A 1 141 ? 16.927 7.254 31.786 1.00 14.09 ? 141 LEU A CD1 1 ATOM 1069 C CD2 . LEU A 1 141 ? 16.860 6.196 29.532 1.00 13.97 ? 141 LEU A CD2 1 ATOM 1070 N N . ALA A 1 142 ? 21.523 5.371 31.165 1.00 14.54 ? 142 ALA A N 1 ATOM 1071 C CA . ALA A 1 142 ? 22.101 4.063 31.477 1.00 15.04 ? 142 ALA A CA 1 ATOM 1072 C C . ALA A 1 142 ? 22.834 4.061 32.815 1.00 15.49 ? 142 ALA A C 1 ATOM 1073 O O . ALA A 1 142 ? 22.789 3.082 33.556 1.00 15.28 ? 142 ALA A O 1 ATOM 1074 C CB . ALA A 1 142 ? 23.046 3.626 30.365 1.00 14.82 ? 142 ALA A CB 1 ATOM 1075 N N . THR A 1 143 ? 23.515 5.162 33.110 1.00 16.07 ? 143 THR A N 1 ATOM 1076 C CA . THR A 1 143 ? 24.262 5.296 34.354 1.00 16.96 ? 143 THR A CA 1 ATOM 1077 C C . THR A 1 143 ? 23.351 5.588 35.546 1.00 17.39 ? 143 THR A C 1 ATOM 1078 O O . THR A 1 143 ? 23.491 4.978 36.611 1.00 17.50 ? 143 THR A O 1 ATOM 1079 C CB . THR A 1 143 ? 25.306 6.431 34.239 1.00 17.18 ? 143 THR A CB 1 ATOM 1080 O OG1 . THR A 1 143 ? 26.247 6.109 33.209 1.00 17.40 ? 143 THR A OG1 1 ATOM 1081 C CG2 . THR A 1 143 ? 26.045 6.625 35.551 1.00 17.34 ? 143 THR A CG2 1 ATOM 1082 N N . MET A 1 144 ? 22.409 6.505 35.340 1.00 17.88 ? 144 MET A N 1 ATOM 1083 C CA . MET A 1 144 ? 21.476 6.948 36.377 1.00 18.55 ? 144 MET A CA 1 ATOM 1084 C C . MET A 1 144 ? 20.229 6.101 36.620 1.00 18.16 ? 144 MET A C 1 ATOM 1085 O O . MET A 1 144 ? 19.758 6.013 37.750 1.00 18.27 ? 144 MET A O 1 ATOM 1086 C CB . MET A 1 144 ? 21.036 8.388 36.095 1.00 19.82 ? 144 MET A CB 1 ATOM 1087 C CG . MET A 1 144 ? 22.135 9.429 36.242 1.00 21.66 ? 144 MET A CG 1 ATOM 1088 S SD . MET A 1 144 ? 22.708 9.590 37.943 1.00 23.94 ? 144 MET A SD 1 ATOM 1089 C CE . MET A 1 144 ? 21.320 10.403 38.708 1.00 23.35 ? 144 MET A CE 1 ATOM 1090 N N . ASP A 1 145 ? 19.670 5.516 35.566 1.00 17.58 ? 145 ASP A N 1 ATOM 1091 C CA . ASP A 1 145 ? 18.454 4.716 35.704 1.00 17.10 ? 145 ASP A CA 1 ATOM 1092 C C . ASP A 1 145 ? 18.432 3.590 34.669 1.00 16.57 ? 145 ASP A C 1 ATOM 1093 O O . ASP A 1 145 ? 17.683 3.644 33.688 1.00 16.35 ? 145 ASP A O 1 ATOM 1094 C CB . ASP A 1 145 ? 17.232 5.628 35.522 1.00 17.55 ? 145 ASP A CB 1 ATOM 1095 C CG . ASP A 1 145 ? 15.941 5.019 36.049 1.00 17.77 ? 145 ASP A CG 1 ATOM 1096 O OD1 . ASP A 1 145 ? 15.892 3.806 36.348 1.00 18.22 ? 145 ASP A OD1 1 ATOM 1097 O OD2 . ASP A 1 145 ? 14.952 5.773 36.162 1.00 18.31 ? 145 ASP A OD2 1 ATOM 1098 N N . PRO A 1 146 ? 19.232 2.536 34.900 1.00 16.04 ? 146 PRO A N 1 ATOM 1099 C CA . PRO A 1 146 ? 19.337 1.373 34.011 1.00 15.72 ? 146 PRO A CA 1 ATOM 1100 C C . PRO A 1 146 ? 18.000 0.685 33.724 1.00 15.30 ? 146 PRO A C 1 ATOM 1101 O O . PRO A 1 146 ? 17.797 0.148 32.631 1.00 14.96 ? 146 PRO A O 1 ATOM 1102 C CB . PRO A 1 146 ? 20.278 0.444 34.775 1.00 15.96 ? 146 PRO A CB 1 ATOM 1103 C CG . PRO A 1 146 ? 21.102 1.375 35.592 1.00 16.26 ? 146 PRO A CG 1 ATOM 1104 C CD . PRO A 1 146 ? 20.109 2.378 36.074 1.00 16.09 ? 146 PRO A CD 1 ATOM 1105 N N . ASP A 1 147 ? 17.100 0.684 34.708 1.00 15.00 ? 147 ASP A N 1 ATOM 1106 C CA . ASP A 1 147 ? 15.784 0.067 34.544 1.00 14.77 ? 147 ASP A CA 1 ATOM 1107 C C . ASP A 1 147 ? 15.022 0.720 33.395 1.00 14.48 ? 147 ASP A C 1 ATOM 1108 O O . ASP A 1 147 ? 14.266 0.053 32.687 1.00 14.41 ? 147 ASP A O 1 ATOM 1109 C CB . ASP A 1 147 ? 14.956 0.185 35.828 1.00 15.09 ? 147 ASP A CB 1 ATOM 1110 C CG . ASP A 1 147 ? 15.376 -0.805 36.904 1.00 15.39 ? 147 ASP A CG 1 ATOM 1111 O OD1 . ASP A 1 147 ? 16.345 -1.562 36.706 1.00 15.61 ? 147 ASP A OD1 1 ATOM 1112 O OD2 . ASP A 1 147 ? 14.711 -0.830 37.959 1.00 15.92 ? 147 ASP A OD2 1 ATOM 1113 N N . LYS A 1 148 ? 15.189 2.032 33.253 1.00 14.19 ? 148 LYS A N 1 ATOM 1114 C CA . LYS A 1 148 ? 14.537 2.772 32.175 1.00 13.91 ? 148 LYS A CA 1 ATOM 1115 C C . LYS A 1 148 ? 15.349 2.634 30.894 1.00 13.42 ? 148 LYS A C 1 ATOM 1116 O O . LYS A 1 148 ? 14.789 2.636 29.801 1.00 13.27 ? 148 LYS A O 1 ATOM 1117 C CB . LYS A 1 148 ? 14.397 4.251 32.530 1.00 14.55 ? 148 LYS A CB 1 ATOM 1118 C CG . LYS A 1 148 ? 13.481 4.553 33.709 1.00 15.48 ? 148 LYS A CG 1 ATOM 1119 C CD . LYS A 1 148 ? 12.056 4.118 33.467 1.00 16.29 ? 148 LYS A CD 1 ATOM 1120 C CE . LYS A 1 148 ? 11.089 4.905 34.353 1.00 16.73 ? 148 LYS A CE 1 ATOM 1121 N NZ . LYS A 1 148 ? 11.435 4.837 35.800 1.00 17.48 ? 148 LYS A NZ 1 ATOM 1122 N N . ALA A 1 149 ? 16.670 2.530 31.034 1.00 12.70 ? 149 ALA A N 1 ATOM 1123 C CA . ALA A 1 149 ? 17.557 2.384 29.878 1.00 12.08 ? 149 ALA A CA 1 ATOM 1124 C C . ALA A 1 149 ? 17.189 1.156 29.047 1.00 11.66 ? 149 ALA A C 1 ATOM 1125 O O . ALA A 1 149 ? 17.102 1.233 27.817 1.00 11.23 ? 149 ALA A O 1 ATOM 1126 C CB . ALA A 1 149 ? 19.015 2.307 30.326 1.00 12.11 ? 149 ALA A CB 1 ATOM 1127 N N . VAL A 1 150 ? 16.942 0.032 29.720 1.00 11.32 ? 150 VAL A N 1 ATOM 1128 C CA . VAL A 1 150 ? 16.579 -1.200 29.023 1.00 11.20 ? 150 VAL A CA 1 ATOM 1129 C C . VAL A 1 150 ? 15.161 -1.131 28.465 1.00 11.26 ? 150 VAL A C 1 ATOM 1130 O O . VAL A 1 150 ? 14.711 -2.044 27.778 1.00 11.09 ? 150 VAL A O 1 ATOM 1131 C CB . VAL A 1 150 ? 16.748 -2.458 29.916 1.00 11.17 ? 150 VAL A CB 1 ATOM 1132 C CG1 . VAL A 1 150 ? 18.206 -2.612 30.319 1.00 11.24 ? 150 VAL A CG1 1 ATOM 1133 C CG2 . VAL A 1 150 ? 15.856 -2.383 31.139 1.00 11.17 ? 150 VAL A CG2 1 ATOM 1134 N N . MET A 1 151 ? 14.468 -0.038 28.775 1.00 11.34 ? 151 MET A N 1 ATOM 1135 C CA . MET A 1 151 ? 13.114 0.197 28.285 1.00 11.67 ? 151 MET A CA 1 ATOM 1136 C C . MET A 1 151 ? 13.074 1.487 27.470 1.00 10.99 ? 151 MET A C 1 ATOM 1137 O O . MET A 1 151 ? 12.007 2.072 27.267 1.00 10.88 ? 151 MET A O 1 ATOM 1138 C CB . MET A 1 151 ? 12.117 0.270 29.447 1.00 13.02 ? 151 MET A CB 1 ATOM 1139 C CG . MET A 1 151 ? 11.807 -1.074 30.063 1.00 15.26 ? 151 MET A CG 1 ATOM 1140 S SD . MET A 1 151 ? 11.062 -2.181 28.850 1.00 18.29 ? 151 MET A SD 1 ATOM 1141 C CE . MET A 1 151 ? 9.328 -1.764 29.029 1.00 17.43 ? 151 MET A CE 1 ATOM 1142 N N . ASN A 1 152 ? 14.246 1.945 27.027 1.00 10.27 ? 152 ASN A N 1 ATOM 1143 C CA . ASN A 1 152 ? 14.331 3.166 26.230 1.00 9.54 ? 152 ASN A CA 1 ATOM 1144 C C . ASN A 1 152 ? 14.715 2.825 24.799 1.00 9.17 ? 152 ASN A C 1 ATOM 1145 O O . ASN A 1 152 ? 15.724 2.168 24.560 1.00 8.51 ? 152 ASN A O 1 ATOM 1146 C CB . ASN A 1 152 ? 15.347 4.143 26.823 1.00 9.77 ? 152 ASN A CB 1 ATOM 1147 C CG . ASN A 1 152 ? 15.314 5.495 26.138 1.00 10.00 ? 152 ASN A CG 1 ATOM 1148 O OD1 . ASN A 1 152 ? 16.323 5.974 25.617 1.00 10.26 ? 152 ASN A OD1 1 ATOM 1149 N ND2 . ASN A 1 152 ? 14.142 6.107 26.117 1.00 10.08 ? 152 ASN A ND2 1 ATOM 1150 N N . ALA A 1 153 ? 13.922 3.308 23.848 1.00 8.88 ? 153 ALA A N 1 ATOM 1151 C CA . ALA A 1 153 ? 14.152 3.028 22.438 1.00 8.92 ? 153 ALA A CA 1 ATOM 1152 C C . ALA A 1 153 ? 15.522 3.449 21.915 1.00 8.92 ? 153 ALA A C 1 ATOM 1153 O O . ALA A 1 153 ? 16.190 2.664 21.237 1.00 8.62 ? 153 ALA A O 1 ATOM 1154 C CB . ALA A 1 153 ? 13.052 3.646 21.601 1.00 8.80 ? 153 ALA A CB 1 ATOM 1155 N N . ASP A 1 154 ? 15.946 4.670 22.230 1.00 8.98 ? 154 ASP A N 1 ATOM 1156 C CA . ASP A 1 154 ? 17.242 5.146 21.761 1.00 9.23 ? 154 ASP A CA 1 ATOM 1157 C C . ASP A 1 154 ? 18.409 4.327 22.295 1.00 9.05 ? 154 ASP A C 1 ATOM 1158 O O . ASP A 1 154 ? 19.416 4.178 21.610 1.00 9.20 ? 154 ASP A O 1 ATOM 1159 C CB . ASP A 1 154 ? 17.447 6.634 22.061 1.00 9.62 ? 154 ASP A CB 1 ATOM 1160 C CG . ASP A 1 154 ? 17.248 7.517 20.832 1.00 10.26 ? 154 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 154 ? 16.935 6.994 19.738 1.00 10.97 ? 154 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 154 ? 17.415 8.745 20.953 1.00 10.58 ? 154 ASP A OD2 1 ATOM 1163 N N . ASN A 1 155 ? 18.290 3.801 23.514 1.00 8.84 ? 155 ASN A N 1 ATOM 1164 C CA . ASN A 1 155 ? 19.374 2.978 24.045 1.00 8.60 ? 155 ASN A CA 1 ATOM 1165 C C . ASN A 1 155 ? 19.499 1.692 23.233 1.00 8.56 ? 155 ASN A C 1 ATOM 1166 O O . ASN A 1 155 ? 20.592 1.158 23.076 1.00 8.50 ? 155 ASN A O 1 ATOM 1167 C CB . ASN A 1 155 ? 19.185 2.687 25.531 1.00 8.73 ? 155 ASN A CB 1 ATOM 1168 C CG . ASN A 1 155 ? 19.512 3.887 26.385 1.00 8.93 ? 155 ASN A CG 1 ATOM 1169 O OD1 . ASN A 1 155 ? 20.519 3.903 27.103 1.00 9.64 ? 155 ASN A OD1 1 ATOM 1170 N ND2 . ASN A 1 155 ? 18.695 4.922 26.277 1.00 8.77 ? 155 ASN A ND2 1 ATOM 1171 N N . HIS A 1 156 ? 18.376 1.198 22.719 1.00 8.65 ? 156 HIS A N 1 ATOM 1172 C CA . HIS A 1 156 ? 18.396 0.003 21.881 1.00 8.52 ? 156 HIS A CA 1 ATOM 1173 C C . HIS A 1 156 ? 19.028 0.391 20.548 1.00 8.62 ? 156 HIS A C 1 ATOM 1174 O O . HIS A 1 156 ? 19.904 -0.313 20.037 1.00 8.62 ? 156 HIS A O 1 ATOM 1175 C CB . HIS A 1 156 ? 16.981 -0.542 21.652 1.00 8.64 ? 156 HIS A CB 1 ATOM 1176 C CG . HIS A 1 156 ? 16.415 -1.268 22.835 1.00 8.69 ? 156 HIS A CG 1 ATOM 1177 N ND1 . HIS A 1 156 ? 16.172 -0.648 24.041 1.00 8.89 ? 156 HIS A ND1 1 ATOM 1178 C CD2 . HIS A 1 156 ? 16.062 -2.565 23.000 1.00 8.71 ? 156 HIS A CD2 1 ATOM 1179 C CE1 . HIS A 1 156 ? 15.692 -1.532 24.899 1.00 8.67 ? 156 HIS A CE1 1 ATOM 1180 N NE2 . HIS A 1 156 ? 15.616 -2.702 24.293 1.00 8.99 ? 156 HIS A NE2 1 ATOM 1181 N N . GLU A 1 157 ? 18.606 1.529 19.999 1.00 8.70 ? 157 GLU A N 1 ATOM 1182 C CA . GLU A 1 157 ? 19.165 1.998 18.733 1.00 8.66 ? 157 GLU A CA 1 ATOM 1183 C C . GLU A 1 157 ? 20.679 2.170 18.807 1.00 8.69 ? 157 GLU A C 1 ATOM 1184 O O . GLU A 1 157 ? 21.398 1.688 17.944 1.00 8.60 ? 157 GLU A O 1 ATOM 1185 C CB . GLU A 1 157 ? 18.533 3.323 18.302 1.00 8.94 ? 157 GLU A CB 1 ATOM 1186 C CG . GLU A 1 157 ? 19.248 3.958 17.105 1.00 9.04 ? 157 GLU A CG 1 ATOM 1187 C CD . GLU A 1 157 ? 18.544 5.177 16.534 1.00 9.41 ? 157 GLU A CD 1 ATOM 1188 O OE1 . GLU A 1 157 ? 17.455 5.545 17.024 1.00 9.45 ? 157 GLU A OE1 1 ATOM 1189 O OE2 . GLU A 1 157 ? 19.076 5.761 15.562 1.00 9.59 ? 157 GLU A OE2 1 ATOM 1190 N N . TYR A 1 158 ? 21.160 2.820 19.862 1.00 8.69 ? 158 TYR A N 1 ATOM 1191 C CA . TYR A 1 158 ? 22.594 3.049 19.996 1.00 8.82 ? 158 TYR A CA 1 ATOM 1192 C C . TYR A 1 158 ? 23.382 1.787 20.288 1.00 8.80 ? 158 TYR A C 1 ATOM 1193 O O . TYR A 1 158 ? 24.517 1.646 19.833 1.00 8.99 ? 158 TYR A O 1 ATOM 1194 C CB . TYR A 1 158 ? 22.862 4.141 21.023 1.00 8.77 ? 158 TYR A CB 1 ATOM 1195 C CG . TYR A 1 158 ? 22.263 5.462 20.606 1.00 9.04 ? 158 TYR A CG 1 ATOM 1196 C CD1 . TYR A 1 158 ? 21.590 6.262 21.523 1.00 9.09 ? 158 TYR A CD1 1 ATOM 1197 C CD2 . TYR A 1 158 ? 22.331 5.890 19.278 1.00 8.98 ? 158 TYR A CD2 1 ATOM 1198 C CE1 . TYR A 1 158 ? 20.994 7.453 21.128 1.00 9.52 ? 158 TYR A CE1 1 ATOM 1199 C CE2 . TYR A 1 158 ? 21.737 7.083 18.874 1.00 9.61 ? 158 TYR A CE2 1 ATOM 1200 C CZ . TYR A 1 158 ? 21.071 7.856 19.803 1.00 9.63 ? 158 TYR A CZ 1 ATOM 1201 O OH . TYR A 1 158 ? 20.475 9.032 19.406 1.00 10.60 ? 158 TYR A OH 1 ATOM 1202 N N . PHE A 1 159 ? 22.778 0.854 21.021 1.00 9.13 ? 159 PHE A N 1 ATOM 1203 C CA . PHE A 1 159 ? 23.446 -0.412 21.305 1.00 9.25 ? 159 PHE A CA 1 ATOM 1204 C C . PHE A 1 159 ? 23.640 -1.148 19.980 1.00 9.36 ? 159 PHE A C 1 ATOM 1205 O O . PHE A 1 159 ? 24.688 -1.742 19.734 1.00 8.94 ? 159 PHE A O 1 ATOM 1206 C CB . PHE A 1 159 ? 22.603 -1.270 22.257 1.00 9.46 ? 159 PHE A CB 1 ATOM 1207 C CG . PHE A 1 159 ? 23.137 -2.662 22.455 1.00 9.60 ? 159 PHE A CG 1 ATOM 1208 C CD1 . PHE A 1 159 ? 24.200 -2.900 23.326 1.00 9.53 ? 159 PHE A CD1 1 ATOM 1209 C CD2 . PHE A 1 159 ? 22.582 -3.739 21.762 1.00 9.68 ? 159 PHE A CD2 1 ATOM 1210 C CE1 . PHE A 1 159 ? 24.707 -4.185 23.505 1.00 9.71 ? 159 PHE A CE1 1 ATOM 1211 C CE2 . PHE A 1 159 ? 23.081 -5.034 21.932 1.00 9.90 ? 159 PHE A CE2 1 ATOM 1212 C CZ . PHE A 1 159 ? 24.147 -5.258 22.806 1.00 9.69 ? 159 PHE A CZ 1 ATOM 1213 N N . SER A 1 160 ? 22.623 -1.088 19.125 1.00 9.62 ? 160 SER A N 1 ATOM 1214 C CA . SER A 1 160 ? 22.673 -1.750 17.824 1.00 9.92 ? 160 SER A CA 1 ATOM 1215 C C . SER A 1 160 ? 23.608 -1.066 16.833 1.00 10.24 ? 160 SER A C 1 ATOM 1216 O O . SER A 1 160 ? 24.432 -1.732 16.194 1.00 10.34 ? 160 SER A O 1 ATOM 1217 C CB . SER A 1 160 ? 21.267 -1.866 17.238 1.00 9.75 ? 160 SER A CB 1 ATOM 1218 O OG . SER A 1 160 ? 20.489 -2.760 18.018 1.00 9.89 ? 160 SER A OG 1 ATOM 1219 N N . GLU A 1 161 ? 23.498 0.256 16.714 1.00 10.56 ? 161 GLU A N 1 ATOM 1220 C CA . GLU A 1 161 ? 24.353 1.016 15.797 1.00 10.98 ? 161 GLU A CA 1 ATOM 1221 C C . GLU A 1 161 ? 25.826 0.861 16.165 1.00 11.20 ? 161 GLU A C 1 ATOM 1222 O O . GLU A 1 161 ? 26.692 0.801 15.286 1.00 11.07 ? 161 GLU A O 1 ATOM 1223 C CB . GLU A 1 161 ? 23.953 2.494 15.777 1.00 10.99 ? 161 GLU A CB 1 ATOM 1224 C CG . GLU A 1 161 ? 22.596 2.737 15.148 1.00 11.43 ? 161 GLU A CG 1 ATOM 1225 C CD . GLU A 1 161 ? 22.138 4.179 15.237 1.00 11.49 ? 161 GLU A CD 1 ATOM 1226 O OE1 . GLU A 1 161 ? 22.672 4.949 16.067 1.00 11.34 ? 161 GLU A OE1 1 ATOM 1227 O OE2 . GLU A 1 161 ? 21.222 4.544 14.471 1.00 11.63 ? 161 GLU A OE2 1 ATOM 1228 N N . ASN A 1 162 ? 26.093 0.773 17.467 1.00 11.43 ? 162 ASN A N 1 ATOM 1229 C CA . ASN A 1 162 ? 27.443 0.592 17.995 1.00 11.84 ? 162 ASN A CA 1 ATOM 1230 C C . ASN A 1 162 ? 28.495 1.453 17.284 1.00 12.10 ? 162 ASN A C 1 ATOM 1231 O O . ASN A 1 162 ? 29.465 0.934 16.724 1.00 11.83 ? 162 ASN A O 1 ATOM 1232 C CB . ASN A 1 162 ? 27.817 -0.895 17.934 1.00 12.01 ? 162 ASN A CB 1 ATOM 1233 C CG . ASN A 1 162 ? 29.051 -1.227 18.751 1.00 12.07 ? 162 ASN A CG 1 ATOM 1234 O OD1 . ASN A 1 162 ? 29.370 -0.548 19.727 1.00 12.37 ? 162 ASN A OD1 1 ATOM 1235 N ND2 . ASN A 1 162 ? 29.745 -2.287 18.363 1.00 12.35 ? 162 ASN A ND2 1 ATOM 1236 N N . ASN A 1 163 ? 28.258 2.762 17.270 1.00 12.46 ? 163 ASN A N 1 ATOM 1237 C CA . ASN A 1 163 ? 29.171 3.719 16.645 1.00 13.15 ? 163 ASN A CA 1 ATOM 1238 C C . ASN A 1 163 ? 29.308 4.952 17.534 1.00 13.20 ? 163 ASN A C 1 ATOM 1239 O O . ASN A 1 163 ? 28.326 5.647 17.788 1.00 13.26 ? 163 ASN A O 1 ATOM 1240 C CB . ASN A 1 163 ? 28.674 4.138 15.257 1.00 13.70 ? 163 ASN A CB 1 ATOM 1241 C CG . ASN A 1 163 ? 29.680 5.020 14.526 1.00 14.29 ? 163 ASN A CG 1 ATOM 1242 O OD1 . ASN A 1 163 ? 30.858 4.678 14.432 1.00 14.92 ? 163 ASN A OD1 1 ATOM 1243 N ND2 . ASN A 1 163 ? 29.224 6.165 14.028 1.00 15.01 ? 163 ASN A ND2 1 ATOM 1244 N N . PRO A 1 164 ? 30.528 5.230 18.034 1.00 13.45 ? 164 PRO A N 1 ATOM 1245 C CA . PRO A 1 164 ? 31.763 4.468 17.814 1.00 13.75 ? 164 PRO A CA 1 ATOM 1246 C C . PRO A 1 164 ? 31.669 3.033 18.336 1.00 13.93 ? 164 PRO A C 1 ATOM 1247 O O . PRO A 1 164 ? 30.958 2.753 19.303 1.00 13.89 ? 164 PRO A O 1 ATOM 1248 C CB . PRO A 1 164 ? 32.809 5.288 18.571 1.00 13.69 ? 164 PRO A CB 1 ATOM 1249 C CG . PRO A 1 164 ? 32.022 5.907 19.670 1.00 13.63 ? 164 PRO A CG 1 ATOM 1250 C CD . PRO A 1 164 ? 30.768 6.348 18.961 1.00 13.57 ? 164 PRO A CD 1 ATOM 1251 N N . ALA A 1 165 ? 32.358 2.121 17.659 1.00 14.27 ? 165 ALA A N 1 ATOM 1252 C CA . ALA A 1 165 ? 32.331 0.711 18.027 1.00 14.54 ? 165 ALA A CA 1 ATOM 1253 C C . ALA A 1 165 ? 32.986 0.390 19.363 1.00 14.75 ? 165 ALA A C 1 ATOM 1254 O O . ALA A 1 165 ? 34.071 0.888 19.675 1.00 14.69 ? 165 ALA A O 1 ATOM 1255 C CB . ALA A 1 165 ? 32.948 -0.136 16.918 1.00 14.84 ? 165 ALA A CB 1 ATOM 1256 N N . GLN A 1 166 ? 32.291 -0.421 20.155 1.00 15.01 ? 166 GLN A N 1 ATOM 1257 C CA . GLN A 1 166 ? 32.776 -0.865 21.458 1.00 15.45 ? 166 GLN A CA 1 ATOM 1258 C C . GLN A 1 166 ? 32.702 -2.383 21.539 1.00 15.68 ? 166 GLN A C 1 ATOM 1259 O O . GLN A 1 166 ? 31.835 -3.009 20.919 1.00 15.73 ? 166 GLN A O 1 ATOM 1260 C CB . GLN A 1 166 ? 31.929 -0.293 22.593 1.00 15.67 ? 166 GLN A CB 1 ATOM 1261 C CG . GLN A 1 166 ? 32.034 1.200 22.799 1.00 16.12 ? 166 GLN A CG 1 ATOM 1262 C CD . GLN A 1 166 ? 31.320 1.632 24.058 1.00 16.36 ? 166 GLN A CD 1 ATOM 1263 O OE1 . GLN A 1 166 ? 31.949 1.902 25.084 1.00 16.73 ? 166 GLN A OE1 1 ATOM 1264 N NE2 . GLN A 1 166 ? 29.998 1.650 24.004 1.00 16.17 ? 166 GLN A NE2 1 ATOM 1265 N N . SER A 1 167 ? 33.604 -2.964 22.324 1.00 15.95 ? 167 SER A N 1 ATOM 1266 C CA . SER A 1 167 ? 33.648 -4.407 22.527 1.00 16.42 ? 167 SER A CA 1 ATOM 1267 C C . SER A 1 167 ? 32.531 -4.852 23.466 1.00 16.43 ? 167 SER A C 1 ATOM 1268 O O . SER A 1 167 ? 32.082 -4.030 24.295 1.00 16.43 ? 167 SER A O 1 ATOM 1269 C CB . SER A 1 167 ? 35.003 -4.821 23.106 1.00 16.60 ? 167 SER A CB 1 ATOM 1270 O OG . SER A 1 167 ? 36.040 -4.631 22.159 1.00 17.32 ? 167 SER A OG 1 ATOM 1271 O OXT . SER A 1 167 ? 32.117 -6.022 23.362 1.00 16.69 ? 167 SER A OXT 1 HETATM 1272 C C1 . MAN B 2 . ? 29.936 0.554 31.014 1.00 19.20 ? 900 MAN A C1 1 HETATM 1273 C C2 . MAN B 2 . ? 31.179 0.777 30.244 1.00 19.95 ? 900 MAN A C2 1 HETATM 1274 C C3 . MAN B 2 . ? 32.240 -0.375 30.493 1.00 20.69 ? 900 MAN A C3 1 HETATM 1275 C C4 . MAN B 2 . ? 32.368 -0.787 31.998 1.00 21.00 ? 900 MAN A C4 1 HETATM 1276 C C5 . MAN B 2 . ? 31.099 -0.619 32.809 1.00 20.91 ? 900 MAN A C5 1 HETATM 1277 C C6 . MAN B 2 . ? 31.277 -0.430 34.308 1.00 21.36 ? 900 MAN A C6 1 HETATM 1278 O O2 . MAN B 2 . ? 31.736 2.052 30.621 1.00 20.70 ? 900 MAN A O2 1 HETATM 1279 O O3 . MAN B 2 . ? 33.539 0.009 30.019 1.00 20.81 ? 900 MAN A O3 1 HETATM 1280 O O4 . MAN B 2 . ? 32.748 -2.161 32.108 1.00 21.67 ? 900 MAN A O4 1 HETATM 1281 O O5 . MAN B 2 . ? 30.257 0.535 32.432 1.00 20.26 ? 900 MAN A O5 1 HETATM 1282 O O6 . MAN B 2 . ? 30.793 -1.503 35.120 1.00 22.24 ? 900 MAN A O6 1 HETATM 1283 ZN ZN . ZN C 3 . ? 10.829 6.621 20.136 1.00 11.61 ? 200 ZN A ZN 1 HETATM 1284 O O . HOH D 4 . ? 28.696 3.694 20.475 1.00 13.12 ? 201 HOH A O 1 HETATM 1285 O O . HOH D 4 . ? 21.640 -3.595 32.859 1.00 11.49 ? 202 HOH A O 1 HETATM 1286 O O . HOH D 4 . ? 2.328 1.541 13.919 1.00 11.17 ? 204 HOH A O 1 HETATM 1287 O O . HOH D 4 . ? 24.145 1.644 35.571 1.00 13.33 ? 205 HOH A O 1 HETATM 1288 O O . HOH D 4 . ? 26.694 1.426 12.672 1.00 17.55 ? 206 HOH A O 1 HETATM 1289 O O . HOH D 4 . ? 25.090 5.400 17.276 1.00 10.62 ? 207 HOH A O 1 HETATM 1290 O O . HOH D 4 . ? 17.142 1.702 37.425 1.00 19.93 ? 208 HOH A O 1 HETATM 1291 O O . HOH D 4 . ? 26.193 3.640 19.269 1.00 10.55 ? 209 HOH A O 1 HETATM 1292 O O . HOH D 4 . ? 14.229 6.898 22.976 1.00 12.01 ? 210 HOH A O 1 HETATM 1293 O O . HOH D 4 . ? 14.449 -14.442 17.123 1.00 14.75 ? 211 HOH A O 1 HETATM 1294 O O . HOH D 4 . ? 7.254 -4.730 28.457 1.00 56.15 ? 212 HOH A O 1 HETATM 1295 O O . HOH D 4 . ? 21.283 13.513 24.135 1.00 12.51 ? 213 HOH A O 1 HETATM 1296 O O . HOH D 4 . ? 1.697 -7.446 22.274 1.00 13.98 ? 214 HOH A O 1 HETATM 1297 O O . HOH D 4 . ? 27.564 7.686 11.758 1.00 22.04 ? 215 HOH A O 1 HETATM 1298 O O . HOH D 4 . ? 27.664 -7.687 28.018 1.00 15.97 ? 216 HOH A O 1 HETATM 1299 O O . HOH D 4 . ? 26.505 5.057 30.000 1.00 16.34 ? 217 HOH A O 1 HETATM 1300 O O . HOH D 4 . ? 25.353 -8.765 26.816 1.00 16.10 ? 219 HOH A O 1 HETATM 1301 O O . HOH D 4 . ? 9.136 10.007 28.406 1.00 17.30 ? 220 HOH A O 1 HETATM 1302 O O . HOH D 4 . ? 2.916 -4.791 18.859 1.00 15.57 ? 221 HOH A O 1 HETATM 1303 O O . HOH D 4 . ? 17.009 -9.662 12.580 1.00 17.21 ? 222 HOH A O 1 HETATM 1304 O O . HOH D 4 . ? 5.778 1.256 23.432 1.00 14.31 ? 223 HOH A O 1 HETATM 1305 O O . HOH D 4 . ? 35.502 -1.200 23.527 1.00 22.01 ? 224 HOH A O 1 HETATM 1306 O O . HOH D 4 . ? 16.603 13.201 26.367 1.00 23.27 ? 225 HOH A O 1 HETATM 1307 O O . HOH D 4 . ? 7.269 -9.041 10.924 1.00 17.07 ? 226 HOH A O 1 HETATM 1308 O O . HOH D 4 . ? 7.025 6.043 17.898 1.00 13.53 ? 227 HOH A O 1 HETATM 1309 O O . HOH D 4 . ? 5.958 -7.112 9.084 1.00 31.26 ? 228 HOH A O 1 HETATM 1310 O O . HOH D 4 . ? 28.376 -3.956 35.293 1.00 19.03 ? 229 HOH A O 1 HETATM 1311 O O . HOH D 4 . ? 14.037 -8.153 6.330 1.00 28.98 ? 230 HOH A O 1 HETATM 1312 O O . HOH D 4 . ? -0.853 1.891 19.843 1.00 27.40 ? 231 HOH A O 1 HETATM 1313 O O . HOH D 4 . ? 26.537 2.831 32.335 1.00 24.26 ? 232 HOH A O 1 HETATM 1314 O O . HOH D 4 . ? 5.452 -5.045 25.705 1.00 20.41 ? 233 HOH A O 1 HETATM 1315 O O . HOH D 4 . ? 15.924 7.473 15.555 1.00 29.75 ? 234 HOH A O 1 HETATM 1316 O O . HOH D 4 . ? 1.635 11.131 9.367 1.00 29.58 ? 235 HOH A O 1 HETATM 1317 O O . HOH D 4 . ? 4.559 9.454 7.844 1.00 18.81 ? 236 HOH A O 1 HETATM 1318 O O . HOH D 4 . ? 33.933 3.037 15.376 1.00 28.59 ? 238 HOH A O 1 HETATM 1319 O O . HOH D 4 . ? 23.473 -13.529 32.794 1.00 26.26 ? 240 HOH A O 1 HETATM 1320 O O . HOH D 4 . ? 13.298 3.701 37.574 1.00 41.76 ? 241 HOH A O 1 HETATM 1321 O O . HOH D 4 . ? 16.873 10.697 18.973 1.00 24.52 ? 242 HOH A O 1 HETATM 1322 O O . HOH D 4 . ? 12.711 1.005 38.241 1.00 20.60 ? 243 HOH A O 1 HETATM 1323 O O . HOH D 4 . ? 2.916 2.499 30.555 1.00 38.56 ? 244 HOH A O 1 HETATM 1324 O O . HOH D 4 . ? 18.741 3.716 2.604 1.00 31.49 ? 246 HOH A O 1 HETATM 1325 O O . HOH D 4 . ? -0.067 1.942 12.387 1.00 18.21 ? 247 HOH A O 1 HETATM 1326 O O . HOH D 4 . ? 28.423 -3.864 16.111 1.00 19.35 ? 248 HOH A O 1 HETATM 1327 O O . HOH D 4 . ? 18.638 13.291 10.094 1.00 33.68 ? 249 HOH A O 1 HETATM 1328 O O . HOH D 4 . ? 8.331 11.336 5.204 1.00 23.00 ? 250 HOH A O 1 HETATM 1329 O O . HOH D 4 . ? 28.363 9.935 22.569 1.00 30.87 ? 251 HOH A O 1 HETATM 1330 O O . HOH D 4 . ? 34.712 1.192 24.939 1.00 26.67 ? 252 HOH A O 1 HETATM 1331 O O . HOH D 4 . ? 3.984 4.962 -1.935 1.00 27.61 ? 253 HOH A O 1 HETATM 1332 O O . HOH D 4 . ? 20.736 9.319 3.348 1.00 30.59 ? 255 HOH A O 1 HETATM 1333 O O . HOH D 4 . ? 30.240 -13.556 28.624 1.00 23.23 ? 256 HOH A O 1 HETATM 1334 O O . HOH D 4 . ? 21.873 14.052 29.700 1.00 32.27 ? 257 HOH A O 1 HETATM 1335 O O . HOH D 4 . ? 17.228 -15.654 22.205 1.00 24.86 ? 259 HOH A O 1 HETATM 1336 O O . HOH D 4 . ? -0.527 4.101 6.367 1.00 36.79 ? 260 HOH A O 1 HETATM 1337 O O . HOH D 4 . ? 11.726 -3.638 22.610 1.00 17.55 ? 263 HOH A O 1 HETATM 1338 O O . HOH D 4 . ? 26.222 11.699 28.977 1.00 32.26 ? 267 HOH A O 1 HETATM 1339 O O . HOH D 4 . ? 10.027 -6.000 28.179 1.00 30.66 ? 269 HOH A O 1 HETATM 1340 O O . HOH D 4 . ? 20.337 -12.967 31.414 1.00 22.74 ? 271 HOH A O 1 HETATM 1341 O O . HOH D 4 . ? 13.292 -2.627 33.446 1.00 26.82 ? 272 HOH A O 1 HETATM 1342 O O . HOH D 4 . ? 8.245 9.135 -7.106 1.00 32.07 ? 273 HOH A O 1 HETATM 1343 O O . HOH D 4 . ? -0.513 -5.135 16.697 1.00 27.53 ? 275 HOH A O 1 HETATM 1344 O O . HOH D 4 . ? 19.732 -8.316 6.523 1.00 27.94 ? 276 HOH A O 1 HETATM 1345 O O . HOH D 4 . ? 17.770 8.475 17.438 1.00 21.33 ? 277 HOH A O 1 HETATM 1346 O O . HOH D 4 . ? -0.144 0.201 6.916 1.00 41.18 ? 279 HOH A O 1 HETATM 1347 O O . HOH D 4 . ? 10.021 -8.383 1.665 1.00 42.83 ? 281 HOH A O 1 HETATM 1348 O O . HOH D 4 . ? 5.337 14.864 0.617 1.00 50.12 ? 282 HOH A O 1 HETATM 1349 O O . HOH D 4 . ? 5.648 -1.301 27.758 1.00 33.17 ? 284 HOH A O 1 HETATM 1350 O O . HOH D 4 . ? 12.714 -3.075 36.796 1.00 43.02 ? 289 HOH A O 1 HETATM 1351 O O . HOH D 4 . ? 2.696 -0.449 -1.727 1.00 30.71 ? 290 HOH A O 1 HETATM 1352 O O . HOH D 4 . ? 17.262 8.972 2.147 1.00 33.44 ? 291 HOH A O 1 HETATM 1353 O O . HOH D 4 . ? 13.517 -9.582 32.899 1.00 41.43 ? 293 HOH A O 1 HETATM 1354 O O . HOH D 4 . ? 28.350 -15.919 32.469 1.00 40.69 ? 299 HOH A O 1 HETATM 1355 O O . HOH D 4 . ? -3.022 7.107 11.908 1.00 38.77 ? 301 HOH A O 1 HETATM 1356 O O . HOH D 4 . ? 27.197 -12.572 34.858 1.00 32.15 ? 305 HOH A O 1 HETATM 1357 O O . HOH D 4 . ? -2.803 8.564 3.478 1.00 33.54 ? 311 HOH A O 1 HETATM 1358 O O . HOH D 4 . ? 14.416 -4.737 2.389 1.00 25.19 ? 316 HOH A O 1 HETATM 1359 O O . HOH D 4 . ? 18.916 10.946 30.406 1.00 27.91 ? 327 HOH A O 1 HETATM 1360 O O . HOH D 4 . ? -2.730 0.762 8.567 1.00 47.09 ? 330 HOH A O 1 HETATM 1361 O O . HOH D 4 . ? 28.497 1.152 21.733 1.00 13.14 ? 332 HOH A O 1 HETATM 1362 O O . HOH D 4 . ? 17.327 15.762 14.372 1.00 52.23 ? 335 HOH A O 1 HETATM 1363 O O . HOH D 4 . ? 17.042 6.683 -2.207 1.00 31.30 ? 344 HOH A O 1 HETATM 1364 O O . HOH D 4 . ? -4.887 -1.586 21.685 1.00 46.39 ? 349 HOH A O 1 HETATM 1365 O O . HOH D 4 . ? 5.643 10.450 -5.218 1.00 42.96 ? 352 HOH A O 1 HETATM 1366 O O . HOH D 4 . ? 9.485 1.407 31.262 1.00 31.07 ? 353 HOH A O 1 HETATM 1367 O O . HOH D 4 . ? 10.863 -7.523 30.783 1.00 40.61 ? 354 HOH A O 1 HETATM 1368 O O . HOH D 4 . ? 26.696 -5.279 38.348 1.00 32.35 ? 356 HOH A O 1 HETATM 1369 O O . HOH D 4 . ? -3.738 -4.513 18.498 1.00 52.20 ? 357 HOH A O 1 HETATM 1370 O O . HOH D 4 . ? 24.887 -11.057 36.606 1.00 47.37 ? 366 HOH A O 1 HETATM 1371 O O . HOH D 4 . ? 9.697 7.099 18.242 1.00 15.74 ? 401 HOH A O 1 HETATM 1372 O O . HOH D 4 . ? 6.362 8.430 19.283 1.00 19.85 ? 405 HOH A O 1 HETATM 1373 O O . HOH D 4 . ? 1.813 2.196 -2.825 1.00 37.30 ? 407 HOH A O 1 HETATM 1374 O O . HOH D 4 . ? 16.590 -1.490 -2.624 1.00 39.35 ? 413 HOH A O 1 HETATM 1375 O O . HOH D 4 . ? 26.718 -2.381 14.428 1.00 23.36 ? 415 HOH A O 1 HETATM 1376 O O . HOH D 4 . ? 29.678 -0.795 14.097 1.00 32.55 ? 416 HOH A O 1 HETATM 1377 O O . HOH D 4 . ? 33.506 -5.585 34.487 1.00 40.15 ? 419 HOH A O 1 HETATM 1378 O O . HOH D 4 . ? 28.040 0.781 34.867 1.00 30.26 ? 422 HOH A O 1 HETATM 1379 O O . HOH D 4 . ? 17.669 -13.299 36.212 1.00 45.53 ? 423 HOH A O 1 HETATM 1380 O O . HOH D 4 . ? 14.573 -5.503 33.544 1.00 30.07 ? 424 HOH A O 1 HETATM 1381 O O . HOH D 4 . ? 11.098 -15.815 22.656 1.00 40.55 ? 425 HOH A O 1 HETATM 1382 O O . HOH D 4 . ? 4.651 -9.963 9.482 1.00 35.14 ? 427 HOH A O 1 HETATM 1383 O O . HOH D 4 . ? 2.812 -9.999 12.199 1.00 25.55 ? 428 HOH A O 1 HETATM 1384 O O . HOH D 4 . ? 2.277 -9.132 5.466 1.00 39.12 ? 429 HOH A O 1 HETATM 1385 O O . HOH D 4 . ? 21.823 15.143 5.225 1.00 46.95 ? 430 HOH A O 1 HETATM 1386 O O . HOH D 4 . ? 3.518 -4.597 4.435 1.00 34.99 ? 432 HOH A O 1 HETATM 1387 O O . HOH D 4 . ? 27.148 6.805 8.782 1.00 42.35 ? 441 HOH A O 1 HETATM 1388 O O . HOH D 4 . ? 27.623 9.256 30.424 1.00 39.65 ? 505 HOH A O 1 HETATM 1389 O O . HOH D 4 . ? 29.824 5.488 22.641 1.00 35.83 ? 508 HOH A O 1 HETATM 1390 O O . HOH D 4 . ? 10.152 -8.544 24.718 1.00 27.31 ? 510 HOH A O 1 HETATM 1391 O O . HOH D 4 . ? 11.446 12.675 24.900 1.00 37.17 ? 512 HOH A O 1 HETATM 1392 O O . HOH D 4 . ? -1.001 -4.877 20.208 1.00 28.16 ? 514 HOH A O 1 HETATM 1393 O O . HOH D 4 . ? -0.286 5.651 28.327 1.00 32.37 ? 515 HOH A O 1 HETATM 1394 O O . HOH D 4 . ? 12.470 14.039 29.464 1.00 46.95 ? 516 HOH A O 1 HETATM 1395 O O . HOH D 4 . ? 9.348 17.556 14.934 1.00 41.96 ? 521 HOH A O 1 HETATM 1396 O O . HOH D 4 . ? 8.598 9.966 17.785 1.00 52.12 ? 522 HOH A O 1 HETATM 1397 O O . HOH D 4 . ? 10.930 11.245 30.346 1.00 28.31 ? 525 HOH A O 1 HETATM 1398 O O . HOH D 4 . ? 29.274 -8.878 35.109 1.00 22.94 ? 526 HOH A O 1 HETATM 1399 O O . HOH D 4 . ? 11.887 -4.183 1.063 1.00 42.96 ? 531 HOH A O 1 HETATM 1400 O O . HOH D 4 . ? 6.832 -3.110 -3.303 1.00 40.23 ? 534 HOH A O 1 HETATM 1401 O O . HOH D 4 . ? 7.596 12.382 1.940 1.00 39.33 ? 538 HOH A O 1 HETATM 1402 O O . HOH D 4 . ? 8.803 14.355 4.697 1.00 29.55 ? 539 HOH A O 1 HETATM 1403 O O . HOH D 4 . ? 2.794 16.565 -0.211 1.00 38.01 ? 540 HOH A O 1 HETATM 1404 O O . HOH D 4 . ? 7.126 11.712 -1.622 1.00 41.62 ? 541 HOH A O 1 HETATM 1405 O O . HOH D 4 . ? 1.714 2.053 4.988 1.00 51.37 ? 543 HOH A O 1 HETATM 1406 O O . HOH D 4 . ? 10.876 -2.464 -6.844 1.00 37.55 ? 545 HOH A O 1 HETATM 1407 O O . HOH D 4 . ? 21.190 -2.029 3.463 1.00 26.26 ? 547 HOH A O 1 HETATM 1408 O O . HOH D 4 . ? 23.204 1.814 1.666 1.00 41.39 ? 549 HOH A O 1 HETATM 1409 O O . HOH D 4 . ? -5.358 3.689 16.302 1.00 46.18 ? 558 HOH A O 1 HETATM 1410 O O . HOH D 4 . ? -3.172 3.188 18.572 1.00 26.75 ? 559 HOH A O 1 HETATM 1411 O O . HOH D 4 . ? 23.437 6.953 3.350 1.00 29.73 ? 562 HOH A O 1 HETATM 1412 O O . HOH D 4 . ? 28.729 9.275 15.338 1.00 29.75 ? 566 HOH A O 1 HETATM 1413 O O . HOH D 4 . ? -0.491 -1.996 25.667 1.00 43.23 ? 568 HOH A O 1 HETATM 1414 O O . HOH D 4 . ? 16.275 15.560 24.661 1.00 34.55 ? 572 HOH A O 1 HETATM 1415 O O . HOH D 4 . ? 15.904 12.090 30.042 1.00 56.18 ? 574 HOH A O 1 HETATM 1416 O O . HOH D 4 . ? 15.027 10.440 33.065 1.00 45.93 ? 575 HOH A O 1 HETATM 1417 O O . HOH D 4 . ? 19.501 10.324 33.224 1.00 34.32 ? 576 HOH A O 1 HETATM 1418 O O . HOH D 4 . ? 17.425 8.949 34.929 1.00 41.77 ? 577 HOH A O 1 HETATM 1419 O O . HOH D 4 . ? 8.827 -2.814 32.801 1.00 36.10 ? 579 HOH A O 1 HETATM 1420 O O . HOH D 4 . ? 30.695 -5.274 19.794 1.00 14.87 ? 584 HOH A O 1 HETATM 1421 O O . HOH D 4 . ? 37.567 -6.377 19.787 1.00 40.59 ? 585 HOH A O 1 HETATM 1422 O O . HOH D 4 . ? 36.034 -1.703 19.747 1.00 50.20 ? 586 HOH A O 1 HETATM 1423 O O . HOH D 4 . ? 35.275 3.376 23.068 1.00 39.15 ? 587 HOH A O 1 HETATM 1424 O O . HOH D 4 . ? 35.962 1.687 17.655 1.00 35.19 ? 588 HOH A O 1 HETATM 1425 O O . HOH D 4 . ? 36.957 2.255 10.860 1.00 45.72 ? 591 HOH A O 1 HETATM 1426 O O . HOH D 4 . ? 34.270 -0.052 13.865 1.00 39.13 ? 593 HOH A O 1 HETATM 1427 O O . HOH D 4 . ? 35.717 4.634 12.590 1.00 50.79 ? 594 HOH A O 1 HETATM 1428 O O . HOH D 4 . ? 36.815 4.152 18.969 1.00 40.76 ? 595 HOH A O 1 HETATM 1429 O O . HOH D 4 . ? 30.157 -3.201 37.845 1.00 42.48 ? 601 HOH A O 1 HETATM 1430 O O . HOH D 4 . ? 29.136 -6.394 36.759 1.00 41.55 ? 602 HOH A O 1 HETATM 1431 O O . HOH D 4 . ? 26.161 -8.639 38.209 1.00 41.95 ? 603 HOH A O 1 HETATM 1432 O O . HOH D 4 . ? 36.313 -1.183 16.579 1.00 36.76 ? 607 HOH A O 1 HETATM 1433 O O . HOH D 4 . ? 36.956 1.236 14.717 1.00 45.22 ? 608 HOH A O 1 HETATM 1434 O O . HOH D 4 . ? 27.585 -1.384 11.660 1.00 42.66 ? 609 HOH A O 1 HETATM 1435 O O . HOH D 4 . ? 20.874 15.661 26.194 1.00 39.96 ? 612 HOH A O 1 HETATM 1436 O O . HOH D 4 . ? -1.146 -4.124 12.590 1.00 41.77 ? 617 HOH A O 1 HETATM 1437 O O . HOH D 4 . ? 21.905 13.116 13.523 1.00 32.53 ? 618 HOH A O 1 HETATM 1438 O O . HOH D 4 . ? 1.505 17.265 5.298 1.00 44.60 ? 622 HOH A O 1 HETATM 1439 O O . HOH D 4 . ? 31.581 -7.938 18.666 1.00 42.31 ? 626 HOH A O 1 HETATM 1440 O O . HOH D 4 . ? -4.558 -1.411 18.333 1.00 38.01 ? 629 HOH A O 1 HETATM 1441 O O . HOH D 4 . ? 11.118 -11.394 31.707 1.00 33.32 ? 631 HOH A O 1 HETATM 1442 O O . HOH D 4 . ? 14.477 -12.409 34.087 1.00 43.59 ? 632 HOH A O 1 HETATM 1443 O O . HOH D 4 . ? 26.011 14.058 35.978 1.00 38.04 ? 633 HOH A O 1 HETATM 1444 O O . HOH D 4 . ? 26.661 9.322 37.153 1.00 48.08 ? 634 HOH A O 1 HETATM 1445 O O . HOH D 4 . ? 28.874 -5.456 40.871 1.00 48.21 ? 635 HOH A O 1 HETATM 1446 O O . HOH D 4 . ? 18.951 -19.156 28.205 1.00 44.23 ? 636 HOH A O 1 HETATM 1447 O O . HOH D 4 . ? 12.573 11.173 16.245 1.00 36.70 ? 637 HOH A O 1 HETATM 1448 O O . HOH D 4 . ? 17.625 0.211 -5.015 1.00 41.27 ? 642 HOH A O 1 HETATM 1449 O O . HOH D 4 . ? 31.324 -0.101 11.564 1.00 37.20 ? 643 HOH A O 1 HETATM 1450 O O . HOH D 4 . ? 29.226 0.498 9.490 1.00 36.82 ? 644 HOH A O 1 HETATM 1451 O O . HOH D 4 . ? 26.587 1.745 38.897 1.00 51.75 ? 646 HOH A O 1 HETATM 1452 O O . HOH D 4 . ? 10.496 -15.916 25.556 1.00 44.35 ? 650 HOH A O 1 HETATM 1453 O O . HOH D 4 . ? -1.958 -2.386 9.636 1.00 43.71 ? 656 HOH A O 1 HETATM 1454 O O . HOH D 4 . ? 29.690 5.336 10.929 1.00 42.45 ? 657 HOH A O 1 HETATM 1455 O O . HOH D 4 . ? 15.875 17.610 27.437 1.00 48.19 ? 665 HOH A O 1 HETATM 1456 O O . HOH D 4 . ? 8.209 -2.560 2.692 1.00 36.34 ? 669 HOH A O 1 HETATM 1457 O O . HOH D 4 . ? 6.885 0.627 -6.848 1.00 39.87 ? 670 HOH A O 1 HETATM 1458 O O . HOH D 4 . ? 14.414 -0.354 -5.484 1.00 39.22 ? 674 HOH A O 1 HETATM 1459 O O . HOH D 4 . ? 12.964 -12.532 9.963 1.00 34.69 ? 677 HOH A O 1 HETATM 1460 O O . HOH D 4 . ? 16.312 19.749 12.344 1.00 48.53 ? 680 HOH A O 1 HETATM 1461 O O . HOH D 4 . ? 13.268 14.426 26.511 1.00 46.05 ? 681 HOH A O 1 HETATM 1462 O O . HOH D 4 . ? 25.296 4.834 5.159 1.00 29.37 ? 696 HOH A O 1 HETATM 1463 O O . HOH D 4 . ? 12.037 9.728 32.614 1.00 35.46 ? 699 HOH A O 1 HETATM 1464 O O . HOH D 4 . ? 25.002 1.121 41.704 1.00 33.25 ? 702 HOH A O 1 HETATM 1465 O O . HOH D 4 . ? 20.049 -10.714 9.061 1.00 42.53 ? 707 HOH A O 1 HETATM 1466 O O . HOH D 4 . ? 11.065 -1.632 2.502 1.00 42.44 ? 716 HOH A O 1 HETATM 1467 O O . HOH D 4 . ? -3.153 -6.652 21.012 1.00 49.22 ? 718 HOH A O 1 HETATM 1468 O O . HOH D 4 . ? 3.188 -4.730 28.030 1.00 50.03 ? 719 HOH A O 1 HETATM 1469 O O . HOH D 4 . ? 12.194 15.482 18.470 1.00 41.56 ? 723 HOH A O 1 HETATM 1470 O O . HOH D 4 . ? 22.494 -10.999 38.588 1.00 33.87 ? 724 HOH A O 1 HETATM 1471 O O . HOH D 4 . ? 29.790 11.586 27.067 1.00 46.57 ? 728 HOH A O 1 HETATM 1472 O O . HOH D 4 . ? 11.467 0.910 -6.660 1.00 48.27 ? 733 HOH A O 1 HETATM 1473 O O . HOH D 4 . ? 19.538 -10.545 37.852 1.00 36.47 ? 735 HOH A O 1 HETATM 1474 O O . HOH D 4 . ? -0.781 -4.405 23.280 1.00 54.49 ? 736 HOH A O 1 HETATM 1475 O O . HOH D 4 . ? 29.954 -14.151 34.560 1.00 46.38 ? 738 HOH A O 1 HETATM 1476 O O . HOH D 4 . ? 3.661 11.893 0.697 1.00 33.35 ? 739 HOH A O 1 HETATM 1477 O O . HOH D 4 . ? 1.088 11.291 -1.103 1.00 48.22 ? 740 HOH A O 1 HETATM 1478 O O . HOH D 4 . ? 1.790 14.487 3.389 1.00 35.00 ? 741 HOH A O 1 HETATM 1479 O O . HOH D 4 . ? 12.803 7.949 16.113 1.00 33.81 ? 742 HOH A O 1 HETATM 1480 O O . HOH D 4 . ? 1.905 0.080 25.154 1.00 41.27 ? 743 HOH A O 1 HETATM 1481 O O . HOH D 4 . ? -4.196 1.152 20.594 1.00 46.17 ? 751 HOH A O 1 HETATM 1482 O O . HOH D 4 . ? 20.784 11.573 11.383 1.00 31.09 ? 752 HOH A O 1 HETATM 1483 O O . HOH D 4 . ? 19.332 12.450 18.544 1.00 39.61 ? 753 HOH A O 1 HETATM 1484 O O . HOH D 4 . ? 10.852 8.854 19.680 1.00 27.72 ? 754 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 1 1 THR THR A . n A 1 2 TYR 2 2 2 TYR TYR A . n A 1 3 ASN 3 3 3 ASN ASN A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 CYS 5 5 5 CYS CYS A . n A 1 6 SER 6 6 6 SER SER A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 GLN 10 10 10 GLN GLN A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 ALA 16 16 16 ALA ALA A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 GLN 21 21 21 GLN GLN A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TYR 23 23 23 TYR TYR A . n A 1 24 VAL 24 24 24 VAL VAL A . n A 1 25 ALA 25 25 25 ALA ALA A . n A 1 26 GLU 26 26 26 GLU GLU A . n A 1 27 SER 27 27 27 SER SER A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 TYR 30 30 30 TYR TYR A . n A 1 31 LEU 31 31 31 LEU LEU A . n A 1 32 GLN 32 32 32 GLN GLN A . n A 1 33 THR 33 33 33 THR THR A . n A 1 34 HIS 34 34 34 HIS HIS A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 ALA 36 36 36 ALA ALA A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 THR 38 38 38 THR THR A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 TYR 41 41 41 TYR TYR A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 TRP 44 44 44 TRP TRP A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 GLY 46 46 46 GLY GLY A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 TYR 48 48 48 TYR TYR A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 SER 50 50 50 SER SER A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 ARG 52 52 52 ARG ARG A . n A 1 53 HIS 53 53 53 HIS HIS A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 THR 55 55 55 THR THR A . n A 1 56 VAL 56 56 56 VAL VAL A . n A 1 57 LEU 57 57 57 LEU LEU A . n A 1 58 GLN 58 58 58 GLN GLN A . n A 1 59 HIS 59 59 59 HIS HIS A . n A 1 60 TYR 60 60 60 TYR TYR A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 ASP 62 62 62 ASP ASP A . n A 1 63 MET 63 63 63 MET MET A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 SER 65 65 65 SER SER A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 ASP 67 67 67 ASP ASP A . n A 1 68 PHE 68 68 68 PHE PHE A . n A 1 69 SER 69 69 69 SER SER A . n A 1 70 SER 70 70 70 SER SER A . n A 1 71 TYR 71 71 71 TYR TYR A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 PHE 73 73 73 PHE PHE A . n A 1 74 ASP 74 74 74 ASP ASP A . n A 1 75 CYS 75 75 75 CYS CYS A . n A 1 76 THR 76 76 76 THR THR A . n A 1 77 CYS 77 77 77 CYS CYS A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 ALA 80 80 80 ALA ALA A . n A 1 81 GLY 81 81 81 GLY GLY A . n A 1 82 THR 82 82 82 THR THR A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 ALA 84 84 84 ALA ALA A . n A 1 85 TYR 85 85 85 TYR TYR A . n A 1 86 VAL 86 86 86 VAL VAL A . n A 1 87 TYR 87 87 87 TYR TYR A . n A 1 88 PRO 88 88 88 PRO PRO A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 ARG 90 90 90 ARG ARG A . n A 1 91 PHE 91 91 91 PHE PHE A . n A 1 92 GLY 92 92 92 GLY GLY A . n A 1 93 THR 93 93 93 THR THR A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 TYR 95 95 95 TYR TYR A . n A 1 96 LEU 96 96 96 LEU LEU A . n A 1 97 CYS 97 97 97 CYS CYS A . n A 1 98 GLY 98 98 98 GLY GLY A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 PHE 100 100 100 PHE PHE A . n A 1 101 TRP 101 101 101 TRP TRP A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 THR 105 105 105 THR THR A . n A 1 106 THR 106 106 106 THR THR A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 ASP 109 109 109 ASP ASP A . n A 1 110 SER 110 110 110 SER SER A . n A 1 111 GLN 111 111 111 GLN GLN A . n A 1 112 ALA 112 112 112 ALA ALA A . n A 1 113 GLY 113 113 113 GLY GLY A . n A 1 114 THR 114 114 114 THR THR A . n A 1 115 LEU 115 115 115 LEU LEU A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 GLU 118 118 118 GLU GLU A . n A 1 119 SER 119 119 119 SER SER A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 HIS 121 121 121 HIS HIS A . n A 1 122 PHE 122 122 122 PHE PHE A . n A 1 123 THR 123 123 123 THR THR A . n A 1 124 ARG 124 124 124 ARG ARG A . n A 1 125 ASN 125 125 125 ASN ASN A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 GLY 127 127 127 GLY GLY A . n A 1 128 THR 128 128 128 THR THR A . n A 1 129 LYS 129 129 129 LYS LYS A . n A 1 130 ASP 130 130 130 ASP ASP A . n A 1 131 TYR 131 131 131 TYR TYR A . n A 1 132 ALA 132 132 132 ALA ALA A . n A 1 133 TYR 133 133 133 TYR TYR A . n A 1 134 GLY 134 134 134 GLY GLY A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 ALA 136 136 136 ALA ALA A . n A 1 137 ALA 137 137 137 ALA ALA A . n A 1 138 ALA 138 138 138 ALA ALA A . n A 1 139 LYS 139 139 139 LYS LYS A . n A 1 140 SER 140 140 140 SER SER A . n A 1 141 LEU 141 141 141 LEU LEU A . n A 1 142 ALA 142 142 142 ALA ALA A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 MET 144 144 144 MET MET A . n A 1 145 ASP 145 145 145 ASP ASP A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 ASP 147 147 147 ASP ASP A . n A 1 148 LYS 148 148 148 LYS LYS A . n A 1 149 ALA 149 149 149 ALA ALA A . n A 1 150 VAL 150 150 150 VAL VAL A . n A 1 151 MET 151 151 151 MET MET A . n A 1 152 ASN 152 152 152 ASN ASN A . n A 1 153 ALA 153 153 153 ALA ALA A . n A 1 154 ASP 154 154 154 ASP ASP A . n A 1 155 ASN 155 155 155 ASN ASN A . n A 1 156 HIS 156 156 156 HIS HIS A . n A 1 157 GLU 157 157 157 GLU GLU A . n A 1 158 TYR 158 158 158 TYR TYR A . n A 1 159 PHE 159 159 159 PHE PHE A . n A 1 160 SER 160 160 160 SER SER A . n A 1 161 GLU 161 161 161 GLU GLU A . n A 1 162 ASN 162 162 162 ASN ASN A . n A 1 163 ASN 163 163 163 ASN ASN A . n A 1 164 PRO 164 164 164 PRO PRO A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 GLN 166 166 166 GLN GLN A . n A 1 167 SER 167 167 167 SER SER 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 MAN 1 900 900 MAN MAN A . C 3 ZN 1 200 200 ZN ZN A . D 4 HOH 1 201 201 HOH WAT A . D 4 HOH 2 202 202 HOH WAT A . D 4 HOH 3 204 204 HOH WAT A . D 4 HOH 4 205 205 HOH WAT A . D 4 HOH 5 206 206 HOH WAT A . D 4 HOH 6 207 207 HOH WAT A . D 4 HOH 7 208 208 HOH WAT A . D 4 HOH 8 209 209 HOH WAT A . D 4 HOH 9 210 210 HOH WAT A . D 4 HOH 10 211 211 HOH WAT A . D 4 HOH 11 212 212 HOH WAT A . D 4 HOH 12 213 213 HOH WAT A . D 4 HOH 13 214 214 HOH WAT A . D 4 HOH 14 215 215 HOH WAT A . D 4 HOH 15 216 216 HOH WAT A . D 4 HOH 16 217 217 HOH WAT A . D 4 HOH 17 219 219 HOH WAT A . D 4 HOH 18 220 220 HOH WAT A . D 4 HOH 19 221 221 HOH WAT A . D 4 HOH 20 222 222 HOH WAT A . D 4 HOH 21 223 223 HOH WAT A . D 4 HOH 22 224 224 HOH WAT A . D 4 HOH 23 225 225 HOH WAT A . D 4 HOH 24 226 226 HOH WAT A . D 4 HOH 25 227 227 HOH WAT A . D 4 HOH 26 228 228 HOH WAT A . D 4 HOH 27 229 229 HOH WAT A . D 4 HOH 28 230 230 HOH WAT A . D 4 HOH 29 231 231 HOH WAT A . D 4 HOH 30 232 232 HOH WAT A . D 4 HOH 31 233 233 HOH WAT A . D 4 HOH 32 234 234 HOH WAT A . D 4 HOH 33 235 235 HOH WAT A . D 4 HOH 34 236 236 HOH WAT A . D 4 HOH 35 238 238 HOH WAT A . D 4 HOH 36 240 240 HOH WAT A . D 4 HOH 37 241 241 HOH WAT A . D 4 HOH 38 242 242 HOH WAT A . D 4 HOH 39 243 243 HOH WAT A . D 4 HOH 40 244 244 HOH WAT A . D 4 HOH 41 246 246 HOH WAT A . D 4 HOH 42 247 247 HOH WAT A . D 4 HOH 43 248 248 HOH WAT A . D 4 HOH 44 249 249 HOH WAT A . D 4 HOH 45 250 250 HOH WAT A . D 4 HOH 46 251 251 HOH WAT A . D 4 HOH 47 252 252 HOH WAT A . D 4 HOH 48 253 253 HOH WAT A . D 4 HOH 49 255 255 HOH WAT A . D 4 HOH 50 256 256 HOH WAT A . D 4 HOH 51 257 257 HOH WAT A . D 4 HOH 52 259 259 HOH WAT A . D 4 HOH 53 260 260 HOH WAT A . D 4 HOH 54 263 263 HOH WAT A . D 4 HOH 55 267 267 HOH WAT A . D 4 HOH 56 269 269 HOH WAT A . D 4 HOH 57 271 271 HOH WAT A . D 4 HOH 58 272 272 HOH WAT A . D 4 HOH 59 273 273 HOH WAT A . D 4 HOH 60 275 275 HOH WAT A . D 4 HOH 61 276 276 HOH WAT A . D 4 HOH 62 277 277 HOH WAT A . D 4 HOH 63 279 279 HOH WAT A . D 4 HOH 64 281 281 HOH WAT A . D 4 HOH 65 282 282 HOH WAT A . D 4 HOH 66 284 284 HOH WAT A . D 4 HOH 67 289 289 HOH WAT A . D 4 HOH 68 290 290 HOH WAT A . D 4 HOH 69 291 291 HOH WAT A . D 4 HOH 70 293 293 HOH WAT A . D 4 HOH 71 299 299 HOH WAT A . D 4 HOH 72 301 301 HOH WAT A . D 4 HOH 73 305 305 HOH WAT A . D 4 HOH 74 311 311 HOH WAT A . D 4 HOH 75 316 316 HOH WAT A . D 4 HOH 76 327 327 HOH WAT A . D 4 HOH 77 330 330 HOH WAT A . D 4 HOH 78 332 332 HOH WAT A . D 4 HOH 79 335 335 HOH WAT A . D 4 HOH 80 344 344 HOH WAT A . D 4 HOH 81 349 349 HOH WAT A . D 4 HOH 82 352 352 HOH WAT A . D 4 HOH 83 353 353 HOH WAT A . D 4 HOH 84 354 354 HOH WAT A . D 4 HOH 85 356 356 HOH WAT A . D 4 HOH 86 357 357 HOH WAT A . D 4 HOH 87 366 366 HOH WAT A . D 4 HOH 88 401 401 HOH WAT A . D 4 HOH 89 405 405 HOH WAT A . D 4 HOH 90 407 407 HOH WAT A . D 4 HOH 91 413 413 HOH WAT A . D 4 HOH 92 415 415 HOH WAT A . D 4 HOH 93 416 416 HOH WAT A . D 4 HOH 94 419 419 HOH WAT A . D 4 HOH 95 422 422 HOH WAT A . D 4 HOH 96 423 423 HOH WAT A . D 4 HOH 97 424 424 HOH WAT A . D 4 HOH 98 425 425 HOH WAT A . D 4 HOH 99 427 427 HOH WAT A . D 4 HOH 100 428 428 HOH WAT A . D 4 HOH 101 429 429 HOH WAT A . D 4 HOH 102 430 430 HOH WAT A . D 4 HOH 103 432 432 HOH WAT A . D 4 HOH 104 441 441 HOH WAT A . D 4 HOH 105 505 505 HOH WAT A . D 4 HOH 106 508 508 HOH WAT A . D 4 HOH 107 510 510 HOH WAT A . D 4 HOH 108 512 512 HOH WAT A . D 4 HOH 109 514 514 HOH WAT A . D 4 HOH 110 515 515 HOH WAT A . D 4 HOH 111 516 516 HOH WAT A . D 4 HOH 112 521 521 HOH WAT A . D 4 HOH 113 522 522 HOH WAT A . D 4 HOH 114 525 525 HOH WAT A . D 4 HOH 115 526 526 HOH WAT A . D 4 HOH 116 531 531 HOH WAT A . D 4 HOH 117 534 534 HOH WAT A . D 4 HOH 118 538 538 HOH WAT A . D 4 HOH 119 539 539 HOH WAT A . D 4 HOH 120 540 540 HOH WAT A . D 4 HOH 121 541 541 HOH WAT A . D 4 HOH 122 543 543 HOH WAT A . D 4 HOH 123 545 545 HOH WAT A . D 4 HOH 124 547 547 HOH WAT A . D 4 HOH 125 549 549 HOH WAT A . D 4 HOH 126 558 558 HOH WAT A . D 4 HOH 127 559 559 HOH WAT A . D 4 HOH 128 562 562 HOH WAT A . D 4 HOH 129 566 566 HOH WAT A . D 4 HOH 130 568 568 HOH WAT A . D 4 HOH 131 572 572 HOH WAT A . D 4 HOH 132 574 574 HOH WAT A . D 4 HOH 133 575 575 HOH WAT A . D 4 HOH 134 576 576 HOH WAT A . D 4 HOH 135 577 577 HOH WAT A . D 4 HOH 136 579 579 HOH WAT A . D 4 HOH 137 584 584 HOH WAT A . D 4 HOH 138 585 585 HOH WAT A . D 4 HOH 139 586 586 HOH WAT A . D 4 HOH 140 587 587 HOH WAT A . D 4 HOH 141 588 588 HOH WAT A . D 4 HOH 142 591 591 HOH WAT A . D 4 HOH 143 593 593 HOH WAT A . D 4 HOH 144 594 594 HOH WAT A . D 4 HOH 145 595 595 HOH WAT A . D 4 HOH 146 601 601 HOH WAT A . D 4 HOH 147 602 602 HOH WAT A . D 4 HOH 148 603 603 HOH WAT A . D 4 HOH 149 607 607 HOH WAT A . D 4 HOH 150 608 608 HOH WAT A . D 4 HOH 151 609 609 HOH WAT A . D 4 HOH 152 612 612 HOH WAT A . D 4 HOH 153 617 617 HOH WAT A . D 4 HOH 154 618 618 HOH WAT A . D 4 HOH 155 622 622 HOH WAT A . D 4 HOH 156 626 626 HOH WAT A . D 4 HOH 157 629 629 HOH WAT A . D 4 HOH 158 631 631 HOH WAT A . D 4 HOH 159 632 632 HOH WAT A . D 4 HOH 160 633 633 HOH WAT A . D 4 HOH 161 634 634 HOH WAT A . D 4 HOH 162 635 635 HOH WAT A . D 4 HOH 163 636 636 HOH WAT A . D 4 HOH 164 637 637 HOH WAT A . D 4 HOH 165 642 642 HOH WAT A . D 4 HOH 166 643 643 HOH WAT A . D 4 HOH 167 644 644 HOH WAT A . D 4 HOH 168 646 646 HOH WAT A . D 4 HOH 169 650 650 HOH WAT A . D 4 HOH 170 656 656 HOH WAT A . D 4 HOH 171 657 657 HOH WAT A . D 4 HOH 172 665 665 HOH WAT A . D 4 HOH 173 669 669 HOH WAT A . D 4 HOH 174 670 670 HOH WAT A . D 4 HOH 175 674 674 HOH WAT A . D 4 HOH 176 677 677 HOH WAT A . D 4 HOH 177 680 680 HOH WAT A . D 4 HOH 178 681 681 HOH WAT A . D 4 HOH 179 696 696 HOH WAT A . D 4 HOH 180 699 699 HOH WAT A . D 4 HOH 181 702 702 HOH WAT A . D 4 HOH 182 707 707 HOH WAT A . D 4 HOH 183 716 716 HOH WAT A . D 4 HOH 184 718 718 HOH WAT A . D 4 HOH 185 719 719 HOH WAT A . D 4 HOH 186 723 723 HOH WAT A . D 4 HOH 187 724 724 HOH WAT A . D 4 HOH 188 728 728 HOH WAT A . D 4 HOH 189 733 733 HOH WAT A . D 4 HOH 190 735 735 HOH WAT A . D 4 HOH 191 736 736 HOH WAT A . D 4 HOH 192 738 738 HOH WAT A . D 4 HOH 193 739 739 HOH WAT A . D 4 HOH 194 740 740 HOH WAT A . D 4 HOH 195 741 741 HOH WAT A . D 4 HOH 196 742 742 HOH WAT A . D 4 HOH 197 743 743 HOH WAT A . D 4 HOH 198 751 751 HOH WAT A . D 4 HOH 199 752 752 HOH WAT A . D 4 HOH 200 753 753 HOH WAT A . D 4 HOH 201 754 754 HOH WAT A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id THR _pdbx_struct_mod_residue.label_seq_id 42 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id THR _pdbx_struct_mod_residue.auth_seq_id 42 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id THR _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 NE2 ? A HIS 117 ? A HIS 117 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 NE2 ? A HIS 121 ? A HIS 121 ? 1_555 104.1 ? 2 NE2 ? A HIS 117 ? A HIS 117 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD1 ? A ASP 130 ? A ASP 130 ? 1_555 98.2 ? 3 NE2 ? A HIS 121 ? A HIS 121 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD1 ? A ASP 130 ? A ASP 130 ? 1_555 95.6 ? 4 NE2 ? A HIS 117 ? A HIS 117 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 754 ? 1_555 101.2 ? 5 NE2 ? A HIS 121 ? A HIS 121 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 754 ? 1_555 152.0 ? 6 OD1 ? A ASP 130 ? A ASP 130 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 754 ? 1_555 92.3 ? 7 NE2 ? A HIS 117 ? A HIS 117 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 401 ? 1_555 98.7 ? 8 NE2 ? A HIS 121 ? A HIS 121 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 401 ? 1_555 96.1 ? 9 OD1 ? A ASP 130 ? A ASP 130 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 401 ? 1_555 156.3 ? 10 O ? D HOH . ? A HOH 754 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 O ? D HOH . ? A HOH 401 ? 1_555 68.3 ? 11 NE2 ? A HIS 117 ? A HIS 117 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD2 ? A ASP 130 ? A ASP 130 ? 1_555 154.2 ? 12 NE2 ? A HIS 121 ? A HIS 121 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD2 ? A ASP 130 ? A ASP 130 ? 1_555 84.8 ? 13 OD1 ? A ASP 130 ? A ASP 130 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD2 ? A ASP 130 ? A ASP 130 ? 1_555 56.4 ? 14 O ? D HOH . ? A HOH 754 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD2 ? A ASP 130 ? A ASP 130 ? 1_555 77.4 ? 15 O ? D HOH . ? A HOH 401 ? 1_555 ZN ? C ZN . ? A ZN 200 ? 1_555 OD2 ? A ASP 130 ? A ASP 130 ? 1_555 104.4 ? # 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 2001-03-14 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-04 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PROCESS 'data collection' . ? 1 PROCESS 'data reduction' . ? 2 DM 'model building' . ? 3 CNS refinement . ? 4 PROCESS 'data scaling' '(RIGAKU)' ? 5 DM phasing . ? 6 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 'ZINC ION' ZN 4 water HOH #