data_5U6Z
# 
_entry.id   5U6Z 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.069 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   5U6Z         
WWPDB D_1000225422 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 2017-01-11 2016-12-09 ? 5U6Z 0 
2 2017-01-25 ?          ? 5U6Z 1 
# 
_database_PDB_rev_record.rev_num   2 
_database_PDB_rev_record.type      JRNL 
_database_PDB_rev_record.details   ? 
# 
_pdbx_database_status.status_code                      REL 
_pdbx_database_status.status_code_sf                   REL 
_pdbx_database_status.status_code_mr                   ? 
_pdbx_database_status.entry_id                         5U6Z 
_pdbx_database_status.date_begin_release_preparation   . 
_pdbx_database_status.SG_entry                         N 
_pdbx_database_status.deposit_site                     RCSB 
_pdbx_database_status.process_site                     RCSB 
_pdbx_database_status.methods_development_category     ? 
_pdbx_database_status.pdb_format_compatible            Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Wallace, B.D.'  1 
'Williams, R.S.' 2 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Proc. Natl. Acad. Sci. U.S.A.' 
_citation.journal_id_ASTM           PNASA6 
_citation.journal_id_CSD            0040 
_citation.journal_id_ISSN           1091-6490 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            114 
_citation.language                  ? 
_citation.page_first                304 
_citation.page_last                 309 
_citation.title                     
;APE2 Zf-GRF facilitates 3'-5' resection of DNA damage following oxidative stress.
;
_citation.year                      2017 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1073/pnas.1610011114 
_citation.pdbx_database_id_PubMed   28028224 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Wallace, B.D.'   1  
primary 'Berman, Z.'      2  
primary 'Mueller, G.A.'   3  
primary 'Lin, Y.'         4  
primary 'Chang, T.'       5  
primary 'Andres, S.N.'    6  
primary 'Wojtaszek, J.L.' 7  
primary 'DeRose, E.F.'    8  
primary 'Appel, C.D.'     9  
primary 'London, R.E.'    10 
primary 'Yan, S.'         11 
primary 'Williams, R.S.'  12 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     5U6Z 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     90.332 
_cell.length_a_esd                 ? 
_cell.length_b                     90.332 
_cell.length_b_esd                 ? 
_cell.length_c                     23.105 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         5U6Z 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'DNA-(apurinic or apyrimidinic site) lyase' 8272.509 1  4.2.99.18 ? 'residues 446-517' ? 
2 non-polymer syn 'ZINC ION'                                  65.409   1  ?         ? ?                  ? 
3 non-polymer syn 'SULFATE ION'                               96.063   1  ?         ? ?                  ? 
4 water       nat water                                       18.015   18 ?         ? ?                  ? 
# 
_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       SNAQTAFWKSLLKGPPPPPNCKGHSEPCVLRTVKKAGPNCGRQFYVCARPEGHSSNPQARCNFFLWLTKKAGCED 
_entity_poly.pdbx_seq_one_letter_code_can   SNAQTAFWKSLLKGPPPPPNCKGHSEPCVLRTVKKAGPNCGRQFYVCARPEGHSSNPQARCNFFLWLTKKAGCED 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  SER n 
1 2  ASN n 
1 3  ALA n 
1 4  GLN n 
1 5  THR n 
1 6  ALA n 
1 7  PHE n 
1 8  TRP n 
1 9  LYS n 
1 10 SER n 
1 11 LEU n 
1 12 LEU n 
1 13 LYS n 
1 14 GLY n 
1 15 PRO n 
1 16 PRO n 
1 17 PRO n 
1 18 PRO n 
1 19 PRO n 
1 20 ASN n 
1 21 CYS n 
1 22 LYS n 
1 23 GLY n 
1 24 HIS n 
1 25 SER n 
1 26 GLU n 
1 27 PRO n 
1 28 CYS n 
1 29 VAL n 
1 30 LEU n 
1 31 ARG n 
1 32 THR n 
1 33 VAL n 
1 34 LYS n 
1 35 LYS n 
1 36 ALA n 
1 37 GLY n 
1 38 PRO n 
1 39 ASN n 
1 40 CYS n 
1 41 GLY n 
1 42 ARG n 
1 43 GLN n 
1 44 PHE n 
1 45 TYR n 
1 46 VAL n 
1 47 CYS n 
1 48 ALA n 
1 49 ARG n 
1 50 PRO n 
1 51 GLU n 
1 52 GLY n 
1 53 HIS n 
1 54 SER n 
1 55 SER n 
1 56 ASN n 
1 57 PRO n 
1 58 GLN n 
1 59 ALA n 
1 60 ARG n 
1 61 CYS n 
1 62 ASN n 
1 63 PHE n 
1 64 PHE n 
1 65 LEU n 
1 66 TRP n 
1 67 LEU n 
1 68 THR n 
1 69 LYS n 
1 70 LYS n 
1 71 ALA n 
1 72 GLY n 
1 73 CYS n 
1 74 GLU n 
1 75 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   75 
_entity_src_gen.gene_src_common_name               'African clawed frog' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'apex2, apex2-prov' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Xenopus laevis' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     8355 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q6DDT4_XENLA 
_struct_ref.pdbx_db_accession          Q6DDT4 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   QTAFWKSLLKGPPPPPNCKGHSEPCVLRTVKKAGPNCGRQFYVCARPEGHSSNPQARCNFFLWLTKKAGCED 
_struct_ref.pdbx_align_begin           446 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              5U6Z 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 75 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q6DDT4 
_struct_ref_seq.db_align_beg                  446 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  517 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       4 
_struct_ref_seq.pdbx_auth_seq_align_end       75 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 5U6Z SER A 1 ? UNP Q6DDT4 ? ? 'expression tag' 1 1 
1 5U6Z ASN A 2 ? UNP Q6DDT4 ? ? 'expression tag' 2 2 
1 5U6Z ALA A 3 ? UNP Q6DDT4 ? ? 'expression tag' 3 3 
# 
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  
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 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ? 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
ZN  non-polymer         . 'ZINC ION'      ? 'Zn 2'           65.409  
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   5U6Z 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.85 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         61.11 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.8 M (NH4)2SO4, 0.1 M Bicine pH 9.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment    ? 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.ambient_temp_esd       ? 
_diffrn.crystal_id             1 
_diffrn.crystal_support        ? 
_diffrn.crystal_treatment      ? 
_diffrn.details                ? 
_diffrn.id                     1 
_diffrn.ambient_pressure       ? 
_diffrn.ambient_pressure_esd   ? 
_diffrn.ambient_pressure_gt    ? 
_diffrn.ambient_pressure_lt    ? 
_diffrn.ambient_temp_gt        ? 
_diffrn.ambient_temp_lt        ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RAYONIX MX300-HS' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2014-03-28 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.28257 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.28257 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate            56.070 
_reflns.entry_id                         5U6Z 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                2.6 
_reflns.d_resolution_low                 50.000 
_reflns.details                          ? 
_reflns.limit_h_max                      ? 
_reflns.limit_h_min                      ? 
_reflns.limit_k_max                      ? 
_reflns.limit_k_min                      ? 
_reflns.limit_l_max                      ? 
_reflns.limit_l_min                      ? 
_reflns.number_all                       ? 
_reflns.number_obs                       5570 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       ? 
_reflns.percent_possible_obs             97.900 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  3.700 
_reflns.pdbx_Rmerge_I_obs                0.074 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            8.000 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 ? 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  ? 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_R_split 
2.600 2.640  ? ? ? ? ? ? ? 84.400  ? ? ? ? 0.314 ? ? ? ? ? ? ? ? 3.200 ? ? ? ? ? ? ? 1  1 0.945 ? 
2.640 2.690  ? ? ? ? ? ? ? 91.700  ? ? ? ? 0.273 ? ? ? ? ? ? ? ? 3.200 ? ? ? ? ? ? ? 2  1 0.941 ? 
2.690 2.740  ? ? ? ? ? ? ? 92.600  ? ? ? ? 0.231 ? ? ? ? ? ? ? ? 3.200 ? ? ? ? ? ? ? 3  1 0.953 ? 
2.740 2.800  ? ? ? ? ? ? ? 95.200  ? ? ? ? 0.209 ? ? ? ? ? ? ? ? 3.300 ? ? ? ? ? ? ? 4  1 0.970 ? 
2.800 2.860  ? ? ? ? ? ? ? 95.900  ? ? ? ? 0.196 ? ? ? ? ? ? ? ? 3.500 ? ? ? ? ? ? ? 5  1 0.979 ? 
2.860 2.930  ? ? ? ? ? ? ? 97.100  ? ? ? ? 0.174 ? ? ? ? ? ? ? ? 3.600 ? ? ? ? ? ? ? 6  1 0.990 ? 
2.930 3.000  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.167 ? ? ? ? ? ? ? ? 3.700 ? ? ? ? ? ? ? 7  1 0.981 ? 
3.000 3.080  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.169 ? ? ? ? ? ? ? ? 3.700 ? ? ? ? ? ? ? 8  1 0.979 ? 
3.080 3.170  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.141 ? ? ? ? ? ? ? ? 3.700 ? ? ? ? ? ? ? 9  1 0.989 ? 
3.170 3.280  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.119 ? ? ? ? ? ? ? ? 3.700 ? ? ? ? ? ? ? 10 1 0.987 ? 
3.280 3.390  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.106 ? ? ? ? ? ? ? ? 3.800 ? ? ? ? ? ? ? 11 1 0.985 ? 
3.390 3.530  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.087 ? ? ? ? ? ? ? ? 3.800 ? ? ? ? ? ? ? 12 1 0.991 ? 
3.530 3.690  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.084 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 13 1 0.990 ? 
3.690 3.880  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.074 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 14 1 0.992 ? 
3.880 4.130  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.063 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 15 1 0.996 ? 
4.130 4.450  ? ? ? ? ? ? ? 99.600  ? ? ? ? 0.066 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 16 1 0.993 ? 
4.450 4.890  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.066 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 17 1 0.993 ? 
4.890 5.600  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.050 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 18 1 0.995 ? 
5.600 7.050  ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.062 ? ? ? ? ? ? ? ? 3.900 ? ? ? ? ? ? ? 19 1 0.993 ? 
7.050 50.000 ? ? ? ? ? ? ? 99.300  ? ? ? ? 0.058 ? ? ? ? ? ? ? ? 3.800 ? ? ? ? ? ? ? 20 1 0.994 ? 
# 
_computing.entry_id                           5U6Z 
_computing.cell_refinement                    ? 
_computing.data_collection                    ? 
_computing.data_reduction                     ? 
_computing.molecular_graphics                 ? 
_computing.publication_material               ? 
_computing.structure_refinement               PHENIX 
_computing.structure_solution                 ? 
_computing.pdbx_structure_refinement_method   ? 
_computing.pdbx_data_reduction_ii             ? 
_computing.pdbx_data_reduction_ds             SCALEPACK 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                75.730 
_refine.B_iso_mean                               43.1200 
_refine.B_iso_min                                28.970 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 5U6Z 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.6 
_refine.ls_d_res_low                             45.1660 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     5562 
_refine.ls_number_reflns_R_free                  559 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.6100 
_refine.ls_percent_reflns_R_free                 10.0500 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2000 
_refine.ls_R_factor_R_free                       0.2446 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1948 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.420 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 29.6100 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.3000 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_analyze.entry_id                        5U6Z 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    ? 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       2.6 
_refine_hist.d_res_low                        45.1660 
_refine_hist.pdbx_number_atoms_ligand         6 
_refine_hist.number_atoms_solvent             18 
_refine_hist.number_atoms_total               543 
_refine_hist.pdbx_number_residues_total       67 
_refine_hist.pdbx_B_iso_mean_ligand           62.15 
_refine_hist.pdbx_B_iso_mean_solvent          42.10 
_refine_hist.pdbx_number_atoms_protein        519 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  ? 542 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.460  ? 738 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.082  ? 73  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.009  ? 97  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 16.610 ? 200 ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
'X-RAY DIFFRACTION' 2.5850 2.8451  1300 . 136 1164 92.0000  . . . 0.2898 0.0000 0.2345 . . . . . . 4 . . . 
'X-RAY DIFFRACTION' 2.8451 3.2567  1409 . 138 1271 99.0000  . . . 0.3048 0.0000 0.2197 . . . . . . 4 . . . 
'X-RAY DIFFRACTION' 3.2567 4.1026  1427 . 137 1290 100.0000 . . . 0.2457 0.0000 0.1885 . . . . . . 4 . . . 
'X-RAY DIFFRACTION' 4.1026 45.1729 1426 . 148 1278 100.0000 . . . 0.2203 0.0000 0.1847 . . . . . . 4 . . . 
# 
_struct.entry_id                     5U6Z 
_struct.title                        'Crystal Structure of Xenopus laevis Apex2 C-terminal Znf-GRF Domain' 
_struct.pdbx_descriptor              'DNA-(apurinic or apyrimidinic site) lyase (E.C.4.2.99.18)' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        5U6Z 
_struct_keywords.text            
;GRF Zinc Finger, 3' AP Endo/Exonuclease, DNA binding, LYASE
;
_struct_keywords.pdbx_keywords   LYASE 
# 
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_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       ASN 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        2 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       LEU 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        12 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        ASN 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         2 
_struct_conf.end_auth_comp_id        LEU 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         12 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   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 
metalc1 metalc ? ? A CYS 21 SG  ? ? ? 1_555 B ZN . ZN ? ? A CYS 21 A ZN 101 1_555 ? ? ? ? ? ? ? 2.425 ? 
metalc2 metalc ? ? A HIS 24 ND1 ? ? ? 1_555 B ZN . ZN ? ? A HIS 24 A ZN 101 1_555 ? ? ? ? ? ? ? 2.031 ? 
metalc3 metalc ? ? A CYS 47 SG  ? ? ? 1_555 B ZN . ZN ? ? A CYS 47 A ZN 101 1_555 ? ? ? ? ? ? ? 2.252 ? 
metalc4 metalc ? ? A CYS 61 SG  ? ? ? 1_555 B ZN . ZN ? ? A CYS 61 A ZN 101 1_555 ? ? ? ? ? ? ? 2.357 ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_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 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 29 ? THR A 32 ? VAL A 29 THR A 32 
AA1 2 GLN A 43 ? VAL A 46 ? GLN A 43 VAL A 46 
AA1 3 PHE A 64 ? TRP A 66 ? PHE A 64 TRP A 66 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ARG A 31 ? N ARG A 31 O PHE A 44 ? O PHE A 44 
AA1 2 3 N TYR A 45 ? N TYR A 45 O LEU A 65 ? O LEU A 65 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software A ZN  101 ? 4 'binding site for residue ZN A 101'  
AC2 Software A SO4 102 ? 5 'binding site for residue SO4 A 102' 
# 
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 4 CYS A 21 ? CYS A 21  . ? 1_555 ? 
2 AC1 4 HIS A 24 ? HIS A 24  . ? 1_555 ? 
3 AC1 4 CYS A 47 ? CYS A 47  . ? 1_555 ? 
4 AC1 4 CYS A 61 ? CYS A 61  . ? 1_555 ? 
5 AC2 5 ARG A 31 ? ARG A 31  . ? 1_555 ? 
6 AC2 5 THR A 32 ? THR A 32  . ? 1_555 ? 
7 AC2 5 LYS A 34 ? LYS A 34  . ? 1_555 ? 
8 AC2 5 HOH D .  ? HOH A 201 . ? 1_555 ? 
9 AC2 5 HOH D .  ? HOH A 207 . ? 1_555 ? 
# 
_atom_sites.entry_id                    5U6Z 
_atom_sites.fract_transf_matrix[1][1]   0.011070 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.011070 
_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]   0.043281 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_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   . ASN A 1 2  ? 6.080  1.608  13.251 1.00 75.64 ? ? ? ? ? ? 2   ASN A N   1 
ATOM   2   C  CA  . ASN A 1 2  ? 7.430  1.497  12.697 1.00 75.64 ? ? ? ? ? ? 2   ASN A CA  1 
ATOM   3   C  C   . ASN A 1 2  ? 8.532  1.534  13.747 1.00 69.82 ? ? ? ? ? ? 2   ASN A C   1 
ATOM   4   O  O   . ASN A 1 2  ? 9.582  2.098  13.513 1.00 68.84 ? ? ? ? ? ? 2   ASN A O   1 
ATOM   5   C  CB  . ASN A 1 2  ? 7.671  2.602  11.666 1.00 70.59 ? ? ? ? ? ? 2   ASN A CB  1 
ATOM   6   N  N   . ALA A 1 3  ? 8.250  0.967  14.909 1.00 63.87 ? ? ? ? ? ? 3   ALA A N   1 
ATOM   7   C  CA  . ALA A 1 3  ? 9.125  1.027  16.063 1.00 61.23 ? ? ? ? ? ? 3   ALA A CA  1 
ATOM   8   C  C   . ALA A 1 3  ? 10.451 0.306  15.986 1.00 62.44 ? ? ? ? ? ? 3   ALA A C   1 
ATOM   9   O  O   . ALA A 1 3  ? 11.443 0.798  16.478 1.00 61.16 ? ? ? ? ? ? 3   ALA A O   1 
ATOM   10  C  CB  . ALA A 1 3  ? 8.372  0.582  17.302 1.00 53.21 ? ? ? ? ? ? 3   ALA A CB  1 
ATOM   11  N  N   . GLN A 1 4  ? 10.449 -0.893 15.440 1.00 58.63 ? ? ? ? ? ? 4   GLN A N   1 
ATOM   12  C  CA  . GLN A 1 4  ? 11.641 -1.703 15.456 1.00 55.89 ? ? ? ? ? ? 4   GLN A CA  1 
ATOM   13  C  C   . GLN A 1 4  ? 12.736 -1.095 14.654 1.00 63.25 ? ? ? ? ? ? 4   GLN A C   1 
ATOM   14  O  O   . GLN A 1 4  ? 13.813 -0.859 15.153 1.00 59.48 ? ? ? ? ? ? 4   GLN A O   1 
ATOM   15  C  CB  . GLN A 1 4  ? 11.324 -3.041 14.806 1.00 59.81 ? ? ? ? ? ? 4   GLN A CB  1 
ATOM   16  C  CG  . GLN A 1 4  ? 10.393 -2.933 13.612 1.00 62.00 ? ? ? ? ? ? 4   GLN A CG  1 
ATOM   17  C  CD  . GLN A 1 4  ? 9.135  -3.781 13.746 1.00 63.59 ? ? ? ? ? ? 4   GLN A CD  1 
ATOM   18  O  OE1 . GLN A 1 4  ? 9.092  -4.755 14.494 1.00 66.97 ? ? ? ? ? ? 4   GLN A OE1 1 
ATOM   19  N  NE2 . GLN A 1 4  ? 8.117  -3.419 13.005 1.00 54.49 ? ? ? ? ? ? 4   GLN A NE2 1 
ATOM   20  N  N   . THR A 1 5  ? 12.414 -0.724 13.430 1.00 67.41 ? ? ? ? ? ? 5   THR A N   1 
ATOM   21  C  CA  . THR A 1 5  ? 13.411 -0.171 12.529 1.00 58.85 ? ? ? ? ? ? 5   THR A CA  1 
ATOM   22  C  C   . THR A 1 5  ? 13.892 1.105  13.143 1.00 56.10 ? ? ? ? ? ? 5   THR A C   1 
ATOM   23  O  O   . THR A 1 5  ? 15.009 1.508  12.963 1.00 59.24 ? ? ? ? ? ? 5   THR A O   1 
ATOM   24  C  CB  . THR A 1 5  ? 12.872 0.033  11.105 1.00 67.26 ? ? ? ? ? ? 5   THR A CB  1 
ATOM   25  O  OG1 . THR A 1 5  ? 11.828 -0.913 10.849 1.00 62.70 ? ? ? ? ? ? 5   THR A OG1 1 
ATOM   26  C  CG2 . THR A 1 5  ? 13.968 -0.187 10.083 1.00 58.15 ? ? ? ? ? ? 5   THR A CG2 1 
ATOM   27  N  N   . ALA A 1 6  ? 12.996 1.776  13.829 1.00 60.49 ? ? ? ? ? ? 6   ALA A N   1 
ATOM   28  C  CA  . ALA A 1 6  ? 13.332 2.975  14.529 1.00 63.51 ? ? ? ? ? ? 6   ALA A CA  1 
ATOM   29  C  C   . ALA A 1 6  ? 14.334 2.735  15.641 1.00 53.95 ? ? ? ? ? ? 6   ALA A C   1 
ATOM   30  O  O   . ALA A 1 6  ? 15.176 3.574  15.876 1.00 51.30 ? ? ? ? ? ? 6   ALA A O   1 
ATOM   31  C  CB  . ALA A 1 6  ? 12.073 3.667  15.036 1.00 54.62 ? ? ? ? ? ? 6   ALA A CB  1 
ATOM   32  N  N   . PHE A 1 7  ? 14.226 1.626  16.350 1.00 45.55 ? ? ? ? ? ? 7   PHE A N   1 
ATOM   33  C  CA  . PHE A 1 7  ? 15.005 1.473  17.566 1.00 44.70 ? ? ? ? ? ? 7   PHE A CA  1 
ATOM   34  C  C   . PHE A 1 7  ? 16.487 1.394  17.315 1.00 45.35 ? ? ? ? ? ? 7   PHE A C   1 
ATOM   35  O  O   . PHE A 1 7  ? 17.266 1.811  18.109 1.00 45.24 ? ? ? ? ? ? 7   PHE A O   1 
ATOM   36  C  CB  . PHE A 1 7  ? 14.473 0.337  18.449 1.00 40.76 ? ? ? ? ? ? 7   PHE A CB  1 
ATOM   37  C  CG  . PHE A 1 7  ? 15.237 -0.933 18.347 1.00 46.19 ? ? ? ? ? ? 7   PHE A CG  1 
ATOM   38  C  CD1 . PHE A 1 7  ? 16.301 -1.146 19.155 1.00 45.45 ? ? ? ? ? ? 7   PHE A CD1 1 
ATOM   39  C  CD2 . PHE A 1 7  ? 14.926 -1.866 17.403 1.00 47.79 ? ? ? ? ? ? 7   PHE A CD2 1 
ATOM   40  C  CE1 . PHE A 1 7  ? 17.031 -2.279 19.050 1.00 40.86 ? ? ? ? ? ? 7   PHE A CE1 1 
ATOM   41  C  CE2 . PHE A 1 7  ? 15.652 -3.005 17.293 1.00 44.30 ? ? ? ? ? ? 7   PHE A CE2 1 
ATOM   42  C  CZ  . PHE A 1 7  ? 16.703 -3.207 18.118 1.00 41.49 ? ? ? ? ? ? 7   PHE A CZ  1 
ATOM   43  N  N   . TRP A 1 8  ? 16.863 0.791  16.222 1.00 45.40 ? ? ? ? ? ? 8   TRP A N   1 
ATOM   44  C  CA  . TRP A 1 8  ? 18.288 0.684  15.939 1.00 43.34 ? ? ? ? ? ? 8   TRP A CA  1 
ATOM   45  C  C   . TRP A 1 8  ? 18.860 1.899  15.242 1.00 44.79 ? ? ? ? ? ? 8   TRP A C   1 
ATOM   46  O  O   . TRP A 1 8  ? 20.047 2.164  15.367 1.00 46.76 ? ? ? ? ? ? 8   TRP A O   1 
ATOM   47  C  CB  . TRP A 1 8  ? 18.700 -0.613 15.244 1.00 42.04 ? ? ? ? ? ? 8   TRP A CB  1 
ATOM   48  C  CG  . TRP A 1 8  ? 18.091 -0.873 13.924 1.00 41.13 ? ? ? ? ? ? 8   TRP A CG  1 
ATOM   49  C  CD1 . TRP A 1 8  ? 17.066 -1.707 13.667 1.00 40.42 ? ? ? ? ? ? 8   TRP A CD1 1 
ATOM   50  C  CD2 . TRP A 1 8  ? 18.501 -0.335 12.658 1.00 43.26 ? ? ? ? ? ? 8   TRP A CD2 1 
ATOM   51  N  NE1 . TRP A 1 8  ? 16.780 -1.712 12.331 1.00 40.07 ? ? ? ? ? ? 8   TRP A NE1 1 
ATOM   52  C  CE2 . TRP A 1 8  ? 17.642 -0.880 11.682 1.00 38.03 ? ? ? ? ? ? 8   TRP A CE2 1 
ATOM   53  C  CE3 . TRP A 1 8  ? 19.501 0.561  12.256 1.00 40.74 ? ? ? ? ? ? 8   TRP A CE3 1 
ATOM   54  C  CZ2 . TRP A 1 8  ? 17.752 -0.574 10.324 1.00 40.36 ? ? ? ? ? ? 8   TRP A CZ2 1 
ATOM   55  C  CZ3 . TRP A 1 8  ? 19.602 0.875  10.905 1.00 39.30 ? ? ? ? ? ? 8   TRP A CZ3 1 
ATOM   56  C  CH2 . TRP A 1 8  ? 18.731 0.313  9.956  1.00 39.89 ? ? ? ? ? ? 8   TRP A CH2 1 
ATOM   57  N  N   . LYS A 1 9  ? 18.039 2.646  14.516 1.00 45.61 ? ? ? ? ? ? 9   LYS A N   1 
ATOM   58  C  CA  . LYS A 1 9  ? 18.499 3.941  14.006 1.00 45.20 ? ? ? ? ? ? 9   LYS A CA  1 
ATOM   59  C  C   . LYS A 1 9  ? 19.092 4.788  15.122 1.00 44.20 ? ? ? ? ? ? 9   LYS A C   1 
ATOM   60  O  O   . LYS A 1 9  ? 20.105 5.474  14.921 1.00 42.24 ? ? ? ? ? ? 9   LYS A O   1 
ATOM   61  C  CB  . LYS A 1 9  ? 17.381 4.709  13.279 1.00 46.13 ? ? ? ? ? ? 9   LYS A CB  1 
ATOM   62  C  CG  . LYS A 1 9  ? 17.182 4.251  11.851 1.00 51.11 ? ? ? ? ? ? 9   LYS A CG  1 
ATOM   63  C  CD  . LYS A 1 9  ? 16.885 5.389  10.912 1.00 54.26 ? ? ? ? ? ? 9   LYS A CD  1 
ATOM   64  C  CE  . LYS A 1 9  ? 15.387 5.511  10.652 1.00 61.43 ? ? ? ? ? ? 9   LYS A CE  1 
ATOM   65  N  NZ  . LYS A 1 9  ? 14.961 6.825  10.053 1.00 50.77 ? ? ? ? ? ? 9   LYS A NZ  1 
ATOM   66  N  N   . SER A 1 10 ? 18.497 4.732  16.310 1.00 43.48 ? ? ? ? ? ? 10  SER A N   1 
ATOM   67  C  CA  . SER A 1 10 ? 19.087 5.542  17.371 1.00 40.50 ? ? ? ? ? ? 10  SER A CA  1 
ATOM   68  C  C   . SER A 1 10 ? 20.544 5.159  17.690 1.00 47.16 ? ? ? ? ? ? 10  SER A C   1 
ATOM   69  O  O   . SER A 1 10 ? 21.372 6.032  17.894 1.00 49.30 ? ? ? ? ? ? 10  SER A O   1 
ATOM   70  C  CB  . SER A 1 10 ? 18.217 5.544  18.617 1.00 40.54 ? ? ? ? ? ? 10  SER A CB  1 
ATOM   71  O  OG  . SER A 1 10 ? 18.673 4.600  19.550 1.00 42.75 ? ? ? ? ? ? 10  SER A OG  1 
ATOM   72  N  N   . LEU A 1 11 ? 20.856 3.863  17.692 1.00 47.09 ? ? ? ? ? ? 11  LEU A N   1 
ATOM   73  C  CA  . LEU A 1 11 ? 22.179 3.365  18.055 1.00 45.71 ? ? ? ? ? ? 11  LEU A CA  1 
ATOM   74  C  C   . LEU A 1 11 ? 23.267 3.707  17.052 1.00 46.57 ? ? ? ? ? ? 11  LEU A C   1 
ATOM   75  O  O   . LEU A 1 11 ? 24.456 3.506  17.323 1.00 42.77 ? ? ? ? ? ? 11  LEU A O   1 
ATOM   76  C  CB  . LEU A 1 11 ? 22.151 1.846  18.177 1.00 47.04 ? ? ? ? ? ? 11  LEU A CB  1 
ATOM   77  C  CG  . LEU A 1 11 ? 21.286 1.187  19.243 1.00 49.09 ? ? ? ? ? ? 11  LEU A CG  1 
ATOM   78  C  CD1 . LEU A 1 11 ? 21.106 -0.257 18.808 1.00 54.10 ? ? ? ? ? ? 11  LEU A CD1 1 
ATOM   79  C  CD2 . LEU A 1 11 ? 21.936 1.235  20.615 1.00 43.29 ? ? ? ? ? ? 11  LEU A CD2 1 
ATOM   80  N  N   . LEU A 1 12 ? 22.870 4.191  15.885 1.00 44.39 ? ? ? ? ? ? 12  LEU A N   1 
ATOM   81  C  CA  . LEU A 1 12 ? 23.858 4.546  14.883 1.00 46.40 ? ? ? ? ? ? 12  LEU A CA  1 
ATOM   82  C  C   . LEU A 1 12 ? 24.320 6.018  15.012 1.00 47.57 ? ? ? ? ? ? 12  LEU A C   1 
ATOM   83  O  O   . LEU A 1 12 ? 25.214 6.442  14.295 1.00 46.29 ? ? ? ? ? ? 12  LEU A O   1 
ATOM   84  C  CB  . LEU A 1 12 ? 23.309 4.284  13.485 1.00 43.79 ? ? ? ? ? ? 12  LEU A CB  1 
ATOM   85  C  CG  . LEU A 1 12 ? 23.136 2.837  13.037 1.00 49.53 ? ? ? ? ? ? 12  LEU A CG  1 
ATOM   86  C  CD1 . LEU A 1 12 ? 22.592 2.803  11.597 1.00 47.16 ? ? ? ? ? ? 12  LEU A CD1 1 
ATOM   87  C  CD2 . LEU A 1 12 ? 24.439 2.028  13.182 1.00 43.72 ? ? ? ? ? ? 12  LEU A CD2 1 
ATOM   88  N  N   . LYS A 1 13 ? 23.702 6.758  15.934 1.00 47.19 ? ? ? ? ? ? 13  LYS A N   1 
ATOM   89  C  CA  . LYS A 1 13 ? 23.937 8.187  16.141 1.00 51.41 ? ? ? ? ? ? 13  LYS A CA  1 
ATOM   90  C  C   . LYS A 1 13 ? 25.132 8.433  17.039 1.00 53.78 ? ? ? ? ? ? 13  LYS A C   1 
ATOM   91  O  O   . LYS A 1 13 ? 25.059 8.210  18.258 1.00 52.51 ? ? ? ? ? ? 13  LYS A O   1 
ATOM   92  C  CB  . LYS A 1 13 ? 22.716 8.852  16.781 1.00 51.58 ? ? ? ? ? ? 13  LYS A CB  1 
ATOM   93  C  CG  . LYS A 1 13 ? 21.533 9.057  15.830 1.00 55.73 ? ? ? ? ? ? 13  LYS A CG  1 
ATOM   94  C  CD  . LYS A 1 13 ? 21.335 10.547 15.503 1.00 64.65 ? ? ? ? ? ? 13  LYS A CD  1 
ATOM   95  C  CE  . LYS A 1 13 ? 20.254 10.767 14.431 1.00 66.21 ? ? ? ? ? ? 13  LYS A CE  1 
ATOM   96  N  NZ  . LYS A 1 13 ? 20.135 12.233 14.057 1.00 70.62 ? ? ? ? ? ? 13  LYS A NZ  1 
ATOM   97  N  N   . GLY A 1 14 ? 26.218 8.914  16.431 1.00 53.57 ? ? ? ? ? ? 14  GLY A N   1 
ATOM   98  C  CA  . GLY A 1 14 ? 27.434 9.224  17.156 1.00 54.83 ? ? ? ? ? ? 14  GLY A CA  1 
ATOM   99  C  C   . GLY A 1 14 ? 27.298 10.444 18.041 1.00 50.29 ? ? ? ? ? ? 14  GLY A C   1 
ATOM   100 O  O   . GLY A 1 14 ? 26.284 11.150 17.997 1.00 48.63 ? ? ? ? ? ? 14  GLY A O   1 
ATOM   101 N  N   . PRO A 1 15 ? 28.326 10.684 18.871 1.00 56.40 ? ? ? ? ? ? 15  PRO A N   1 
ATOM   102 C  CA  . PRO A 1 15 ? 28.426 11.844 19.773 1.00 54.38 ? ? ? ? ? ? 15  PRO A CA  1 
ATOM   103 C  C   . PRO A 1 15 ? 28.136 13.135 19.015 1.00 52.92 ? ? ? ? ? ? 15  PRO A C   1 
ATOM   104 O  O   . PRO A 1 15 ? 28.354 13.171 17.806 1.00 53.48 ? ? ? ? ? ? 15  PRO A O   1 
ATOM   105 C  CB  . PRO A 1 15 ? 29.887 11.818 20.212 1.00 52.03 ? ? ? ? ? ? 15  PRO A CB  1 
ATOM   106 C  CG  . PRO A 1 15 ? 30.277 10.366 20.137 1.00 56.02 ? ? ? ? ? ? 15  PRO A CG  1 
ATOM   107 C  CD  . PRO A 1 15 ? 29.479 9.768  18.997 1.00 54.97 ? ? ? ? ? ? 15  PRO A CD  1 
ATOM   108 N  N   . PRO A 1 16 ? 27.610 14.166 19.699 1.00 53.48 ? ? ? ? ? ? 16  PRO A N   1 
ATOM   109 C  CA  . PRO A 1 16 ? 27.337 15.427 18.997 1.00 53.18 ? ? ? ? ? ? 16  PRO A CA  1 
ATOM   110 C  C   . PRO A 1 16 ? 28.604 16.020 18.378 1.00 52.03 ? ? ? ? ? ? 16  PRO A C   1 
ATOM   111 O  O   . PRO A 1 16 ? 29.709 15.721 18.829 1.00 47.66 ? ? ? ? ? ? 16  PRO A O   1 
ATOM   112 C  CB  . PRO A 1 16 ? 26.797 16.337 20.108 1.00 52.64 ? ? ? ? ? ? 16  PRO A CB  1 
ATOM   113 C  CG  . PRO A 1 16 ? 26.172 15.389 21.089 1.00 54.40 ? ? ? ? ? ? 16  PRO A CG  1 
ATOM   114 C  CD  . PRO A 1 16 ? 27.077 14.171 21.076 1.00 53.54 ? ? ? ? ? ? 16  PRO A CD  1 
ATOM   115 N  N   . PRO A 1 17 ? 28.446 16.861 17.341 1.00 54.21 ? ? ? ? ? ? 17  PRO A N   1 
ATOM   116 C  CA  . PRO A 1 17 ? 29.647 17.407 16.707 1.00 50.52 ? ? ? ? ? ? 17  PRO A CA  1 
ATOM   117 C  C   . PRO A 1 17 ? 30.383 18.282 17.704 1.00 46.29 ? ? ? ? ? ? 17  PRO A C   1 
ATOM   118 O  O   . PRO A 1 17 ? 29.806 18.658 18.730 1.00 44.86 ? ? ? ? ? ? 17  PRO A O   1 
ATOM   119 C  CB  . PRO A 1 17 ? 29.077 18.291 15.590 1.00 47.20 ? ? ? ? ? ? 17  PRO A CB  1 
ATOM   120 C  CG  . PRO A 1 17 ? 27.651 17.860 15.430 1.00 48.07 ? ? ? ? ? ? 17  PRO A CG  1 
ATOM   121 C  CD  . PRO A 1 17 ? 27.221 17.480 16.806 1.00 49.13 ? ? ? ? ? ? 17  PRO A CD  1 
ATOM   122 N  N   . PRO A 1 18 ? 31.656 18.572 17.427 1.00 45.31 ? ? ? ? ? ? 18  PRO A N   1 
ATOM   123 C  CA  . PRO A 1 18 ? 32.374 19.639 18.138 1.00 42.26 ? ? ? ? ? ? 18  PRO A CA  1 
ATOM   124 C  C   . PRO A 1 18 ? 31.631 20.969 18.015 1.00 37.99 ? ? ? ? ? ? 18  PRO A C   1 
ATOM   125 O  O   . PRO A 1 18 ? 31.025 21.246 16.968 1.00 36.47 ? ? ? ? ? ? 18  PRO A O   1 
ATOM   126 C  CB  . PRO A 1 18 ? 33.675 19.748 17.362 1.00 40.00 ? ? ? ? ? ? 18  PRO A CB  1 
ATOM   127 C  CG  . PRO A 1 18 ? 33.888 18.382 16.804 1.00 48.32 ? ? ? ? ? ? 18  PRO A CG  1 
ATOM   128 C  CD  . PRO A 1 18 ? 32.518 17.851 16.480 1.00 44.71 ? ? ? ? ? ? 18  PRO A CD  1 
ATOM   129 N  N   . PRO A 1 19 ? 31.664 21.789 19.075 1.00 40.15 ? ? ? ? ? ? 19  PRO A N   1 
ATOM   130 C  CA  . PRO A 1 19 ? 31.203 23.173 18.945 1.00 38.22 ? ? ? ? ? ? 19  PRO A CA  1 
ATOM   131 C  C   . PRO A 1 19 ? 32.020 23.932 17.900 1.00 37.27 ? ? ? ? ? ? 19  PRO A C   1 
ATOM   132 O  O   . PRO A 1 19 ? 33.174 23.551 17.625 1.00 35.37 ? ? ? ? ? ? 19  PRO A O   1 
ATOM   133 C  CB  . PRO A 1 19 ? 31.487 23.764 20.326 1.00 35.60 ? ? ? ? ? ? 19  PRO A CB  1 
ATOM   134 C  CG  . PRO A 1 19 ? 32.557 22.913 20.903 1.00 37.95 ? ? ? ? ? ? 19  PRO A CG  1 
ATOM   135 C  CD  . PRO A 1 19 ? 32.217 21.531 20.417 1.00 42.43 ? ? ? ? ? ? 19  PRO A CD  1 
ATOM   136 N  N   . ASN A 1 20 ? 31.406 24.967 17.322 1.00 37.26 ? ? ? ? ? ? 20  ASN A N   1 
ATOM   137 C  CA  . ASN A 1 20 ? 32.075 25.890 16.424 1.00 37.99 ? ? ? ? ? ? 20  ASN A CA  1 
ATOM   138 C  C   . ASN A 1 20 ? 32.638 27.095 17.183 1.00 41.38 ? ? ? ? ? ? 20  ASN A C   1 
ATOM   139 O  O   . ASN A 1 20 ? 32.006 27.594 18.130 1.00 41.66 ? ? ? ? ? ? 20  ASN A O   1 
ATOM   140 C  CB  . ASN A 1 20 ? 31.097 26.446 15.394 1.00 37.65 ? ? ? ? ? ? 20  ASN A CB  1 
ATOM   141 C  CG  . ASN A 1 20 ? 30.655 25.424 14.383 1.00 37.82 ? ? ? ? ? ? 20  ASN A CG  1 
ATOM   142 O  OD1 . ASN A 1 20 ? 31.473 24.739 13.767 1.00 41.19 ? ? ? ? ? ? 20  ASN A OD1 1 
ATOM   143 N  ND2 . ASN A 1 20 ? 29.348 25.322 14.192 1.00 37.21 ? ? ? ? ? ? 20  ASN A ND2 1 
ATOM   144 N  N   . CYS A 1 21 ? 33.791 27.592 16.729 1.00 38.21 ? ? ? ? ? ? 21  CYS A N   1 
ATOM   145 C  CA  . CYS A 1 21 ? 34.384 28.799 17.291 1.00 37.80 ? ? ? ? ? ? 21  CYS A CA  1 
ATOM   146 C  C   . CYS A 1 21 ? 33.632 30.044 16.823 1.00 37.54 ? ? ? ? ? ? 21  CYS A C   1 
ATOM   147 O  O   . CYS A 1 21 ? 33.048 30.042 15.740 1.00 37.40 ? ? ? ? ? ? 21  CYS A O   1 
ATOM   148 C  CB  . CYS A 1 21 ? 35.866 28.874 16.879 1.00 34.98 ? ? ? ? ? ? 21  CYS A CB  1 
ATOM   149 S  SG  . CYS A 1 21 ? 36.150 29.137 15.073 1.00 33.26 ? ? ? ? ? ? 21  CYS A SG  1 
ATOM   150 N  N   . LYS A 1 22 ? 33.667 31.127 17.602 1.00 40.79 ? ? ? ? ? ? 22  LYS A N   1 
ATOM   151 C  CA  . LYS A 1 22 ? 32.927 32.346 17.215 1.00 39.67 ? ? ? ? ? ? 22  LYS A CA  1 
ATOM   152 C  C   . LYS A 1 22 ? 33.617 33.160 16.118 1.00 40.93 ? ? ? ? ? ? 22  LYS A C   1 
ATOM   153 O  O   . LYS A 1 22 ? 32.980 33.972 15.415 1.00 39.87 ? ? ? ? ? ? 22  LYS A O   1 
ATOM   154 C  CB  . LYS A 1 22 ? 32.690 33.268 18.420 1.00 38.73 ? ? ? ? ? ? 22  LYS A CB  1 
ATOM   155 C  CG  . LYS A 1 22 ? 31.919 32.650 19.582 1.00 44.07 ? ? ? ? ? ? 22  LYS A CG  1 
ATOM   156 C  CD  . LYS A 1 22 ? 30.536 32.179 19.158 1.00 53.21 ? ? ? ? ? ? 22  LYS A CD  1 
ATOM   157 C  CE  . LYS A 1 22 ? 29.837 31.362 20.259 1.00 57.86 ? ? ? ? ? ? 22  LYS A CE  1 
ATOM   158 N  NZ  . LYS A 1 22 ? 30.503 30.049 20.564 1.00 53.19 ? ? ? ? ? ? 22  LYS A NZ  1 
ATOM   159 N  N   . GLY A 1 23 ? 34.927 32.984 15.980 1.00 39.46 ? ? ? ? ? ? 23  GLY A N   1 
ATOM   160 C  CA  . GLY A 1 23 ? 35.682 33.826 15.060 1.00 32.65 ? ? ? ? ? ? 23  GLY A CA  1 
ATOM   161 C  C   . GLY A 1 23 ? 35.560 33.361 13.620 1.00 35.99 ? ? ? ? ? ? 23  GLY A C   1 
ATOM   162 O  O   . GLY A 1 23 ? 35.684 34.161 12.698 1.00 33.82 ? ? ? ? ? ? 23  GLY A O   1 
ATOM   163 N  N   . HIS A 1 24 ? 35.327 32.064 13.407 1.00 35.90 ? ? ? ? ? ? 24  HIS A N   1 
ATOM   164 C  CA  . HIS A 1 24 ? 35.325 31.552 12.042 1.00 35.38 ? ? ? ? ? ? 24  HIS A CA  1 
ATOM   165 C  C   . HIS A 1 24 ? 34.115 30.695 11.735 1.00 36.45 ? ? ? ? ? ? 24  HIS A C   1 
ATOM   166 O  O   . HIS A 1 24 ? 33.872 30.375 10.567 1.00 36.84 ? ? ? ? ? ? 24  HIS A O   1 
ATOM   167 C  CB  . HIS A 1 24 ? 36.598 30.760 11.766 1.00 31.88 ? ? ? ? ? ? 24  HIS A CB  1 
ATOM   168 C  CG  . HIS A 1 24 ? 37.843 31.471 12.183 1.00 33.47 ? ? ? ? ? ? 24  HIS A CG  1 
ATOM   169 N  ND1 . HIS A 1 24 ? 38.423 31.270 13.416 1.00 34.09 ? ? ? ? ? ? 24  HIS A ND1 1 
ATOM   170 C  CD2 . HIS A 1 24 ? 38.600 32.397 11.549 1.00 33.49 ? ? ? ? ? ? 24  HIS A CD2 1 
ATOM   171 C  CE1 . HIS A 1 24 ? 39.494 32.042 13.523 1.00 34.57 ? ? ? ? ? ? 24  HIS A CE1 1 
ATOM   172 N  NE2 . HIS A 1 24 ? 39.628 32.731 12.406 1.00 32.76 ? ? ? ? ? ? 24  HIS A NE2 1 
ATOM   173 N  N   . SER A 1 25 ? 33.378 30.327 12.785 1.00 36.42 ? ? ? ? ? ? 25  SER A N   1 
ATOM   174 C  CA  . SER A 1 25 ? 32.257 29.420 12.671 1.00 35.79 ? ? ? ? ? ? 25  SER A CA  1 
ATOM   175 C  C   . SER A 1 25 ? 32.668 28.115 12.007 1.00 38.98 ? ? ? ? ? ? 25  SER A C   1 
ATOM   176 O  O   . SER A 1 25 ? 32.122 27.741 10.969 1.00 42.80 ? ? ? ? ? ? 25  SER A O   1 
ATOM   177 C  CB  . SER A 1 25 ? 31.146 30.084 11.903 1.00 33.56 ? ? ? ? ? ? 25  SER A CB  1 
ATOM   178 O  OG  . SER A 1 25 ? 30.747 31.214 12.647 1.00 32.49 ? ? ? ? ? ? 25  SER A OG  1 
ATOM   179 N  N   . GLU A 1 26 ? 33.623 27.422 12.621 1.00 37.37 ? ? ? ? ? ? 26  GLU A N   1 
ATOM   180 C  CA  . GLU A 1 26 ? 34.218 26.235 12.031 1.00 35.11 ? ? ? ? ? ? 26  GLU A CA  1 
ATOM   181 C  C   . GLU A 1 26 ? 34.451 25.284 13.185 1.00 36.08 ? ? ? ? ? ? 26  GLU A C   1 
ATOM   182 O  O   . GLU A 1 26 ? 34.546 25.737 14.324 1.00 38.68 ? ? ? ? ? ? 26  GLU A O   1 
ATOM   183 C  CB  . GLU A 1 26 ? 35.532 26.593 11.341 1.00 34.56 ? ? ? ? ? ? 26  GLU A CB  1 
ATOM   184 C  CG  . GLU A 1 26 ? 35.388 26.985 9.889  1.00 32.91 ? ? ? ? ? ? 26  GLU A CG  1 
ATOM   185 C  CD  . GLU A 1 26 ? 36.724 27.424 9.277  1.00 37.49 ? ? ? ? ? ? 26  GLU A CD  1 
ATOM   186 O  OE1 . GLU A 1 26 ? 37.766 27.364 9.979  1.00 35.62 ? ? ? ? ? ? 26  GLU A OE1 1 
ATOM   187 O  OE2 . GLU A 1 26 ? 36.733 27.837 8.094  1.00 37.60 ? ? ? ? ? ? 26  GLU A OE2 1 
ATOM   188 N  N   . PRO A 1 27 ? 34.486 23.965 12.916 1.00 37.38 ? ? ? ? ? ? 27  PRO A N   1 
ATOM   189 C  CA  . PRO A 1 27 ? 34.564 23.010 14.029 1.00 34.86 ? ? ? ? ? ? 27  PRO A CA  1 
ATOM   190 C  C   . PRO A 1 27 ? 35.828 23.243 14.822 1.00 37.73 ? ? ? ? ? ? 27  PRO A C   1 
ATOM   191 O  O   . PRO A 1 27 ? 36.881 23.405 14.204 1.00 38.76 ? ? ? ? ? ? 27  PRO A O   1 
ATOM   192 C  CB  . PRO A 1 27 ? 34.655 21.664 13.315 1.00 31.63 ? ? ? ? ? ? 27  PRO A CB  1 
ATOM   193 C  CG  . PRO A 1 27 ? 33.895 21.871 12.071 1.00 33.88 ? ? ? ? ? ? 27  PRO A CG  1 
ATOM   194 C  CD  . PRO A 1 27 ? 34.200 23.287 11.635 1.00 36.23 ? ? ? ? ? ? 27  PRO A CD  1 
ATOM   195 N  N   . CYS A 1 28 ? 35.738 23.274 16.150 1.00 37.18 ? ? ? ? ? ? 28  CYS A N   1 
ATOM   196 C  CA  . CYS A 1 28 ? 36.938 23.374 16.973 1.00 36.71 ? ? ? ? ? ? 28  CYS A CA  1 
ATOM   197 C  C   . CYS A 1 28 ? 37.634 22.026 16.960 1.00 38.00 ? ? ? ? ? ? 28  CYS A C   1 
ATOM   198 O  O   . CYS A 1 28 ? 37.137 21.093 16.351 1.00 38.74 ? ? ? ? ? ? 28  CYS A O   1 
ATOM   199 C  CB  . CYS A 1 28 ? 36.581 23.728 18.406 1.00 36.06 ? ? ? ? ? ? 28  CYS A CB  1 
ATOM   200 S  SG  . CYS A 1 28 ? 35.792 25.313 18.574 1.00 46.02 ? ? ? ? ? ? 28  CYS A SG  1 
ATOM   201 N  N   . VAL A 1 29 ? 38.760 21.926 17.652 1.00 36.08 ? ? ? ? ? ? 29  VAL A N   1 
ATOM   202 C  CA  . VAL A 1 29 ? 39.479 20.687 17.758 1.00 33.61 ? ? ? ? ? ? 29  VAL A CA  1 
ATOM   203 C  C   . VAL A 1 29 ? 39.720 20.380 19.226 1.00 38.44 ? ? ? ? ? ? 29  VAL A C   1 
ATOM   204 O  O   . VAL A 1 29 ? 39.749 21.282 20.074 1.00 38.48 ? ? ? ? ? ? 29  VAL A O   1 
ATOM   205 C  CB  . VAL A 1 29 ? 40.818 20.769 17.045 1.00 39.79 ? ? ? ? ? ? 29  VAL A CB  1 
ATOM   206 C  CG1 . VAL A 1 29 ? 40.604 20.709 15.534 1.00 39.05 ? ? ? ? ? ? 29  VAL A CG1 1 
ATOM   207 C  CG2 . VAL A 1 29 ? 41.541 22.050 17.455 1.00 35.94 ? ? ? ? ? ? 29  VAL A CG2 1 
ATOM   208 N  N   . LEU A 1 30 ? 39.890 19.089 19.518 1.00 43.30 ? ? ? ? ? ? 30  LEU A N   1 
ATOM   209 C  CA  . LEU A 1 30 ? 39.893 18.589 20.889 1.00 40.04 ? ? ? ? ? ? 30  LEU A CA  1 
ATOM   210 C  C   . LEU A 1 30 ? 41.299 18.266 21.316 1.00 41.28 ? ? ? ? ? ? 30  LEU A C   1 
ATOM   211 O  O   . LEU A 1 30 ? 41.936 17.375 20.766 1.00 39.88 ? ? ? ? ? ? 30  LEU A O   1 
ATOM   212 C  CB  . LEU A 1 30 ? 39.036 17.336 20.985 1.00 41.06 ? ? ? ? ? ? 30  LEU A CB  1 
ATOM   213 C  CG  . LEU A 1 30 ? 38.754 16.736 22.377 1.00 42.10 ? ? ? ? ? ? 30  LEU A CG  1 
ATOM   214 C  CD1 . LEU A 1 30 ? 37.983 17.706 23.256 1.00 41.08 ? ? ? ? ? ? 30  LEU A CD1 1 
ATOM   215 C  CD2 . LEU A 1 30 ? 37.981 15.426 22.271 1.00 39.05 ? ? ? ? ? ? 30  LEU A CD2 1 
ATOM   216 N  N   . ARG A 1 31 ? 41.789 19.011 22.292 1.00 42.99 ? ? ? ? ? ? 31  ARG A N   1 
ATOM   217 C  CA  . ARG A 1 31 ? 43.144 18.823 22.775 1.00 44.04 ? ? ? ? ? ? 31  ARG A CA  1 
ATOM   218 C  C   . ARG A 1 31 ? 43.095 18.244 24.169 1.00 40.79 ? ? ? ? ? ? 31  ARG A C   1 
ATOM   219 O  O   . ARG A 1 31 ? 42.058 18.285 24.864 1.00 40.80 ? ? ? ? ? ? 31  ARG A O   1 
ATOM   220 C  CB  . ARG A 1 31 ? 43.925 20.135 22.742 1.00 40.39 ? ? ? ? ? ? 31  ARG A CB  1 
ATOM   221 C  CG  . ARG A 1 31 ? 43.765 20.871 21.451 1.00 39.35 ? ? ? ? ? ? 31  ARG A CG  1 
ATOM   222 C  CD  . ARG A 1 31 ? 44.576 20.269 20.334 1.00 45.96 ? ? ? ? ? ? 31  ARG A CD  1 
ATOM   223 N  NE  . ARG A 1 31 ? 45.963 20.773 20.327 1.00 60.52 ? ? ? ? ? ? 31  ARG A NE  1 
ATOM   224 C  CZ  . ARG A 1 31 ? 47.034 20.026 20.608 1.00 62.57 ? ? ? ? ? ? 31  ARG A CZ  1 
ATOM   225 N  NH1 . ARG A 1 31 ? 46.898 18.729 20.915 1.00 60.15 ? ? ? ? ? ? 31  ARG A NH1 1 
ATOM   226 N  NH2 . ARG A 1 31 ? 48.239 20.573 20.574 1.00 62.43 ? ? ? ? ? ? 31  ARG A NH2 1 
ATOM   227 N  N   . THR A 1 32 ? 44.224 17.695 24.564 1.00 40.75 ? ? ? ? ? ? 32  THR A N   1 
ATOM   228 C  CA  . THR A 1 32 ? 44.296 16.940 25.782 1.00 41.19 ? ? ? ? ? ? 32  THR A CA  1 
ATOM   229 C  C   . THR A 1 32 ? 45.442 17.497 26.601 1.00 42.82 ? ? ? ? ? ? 32  THR A C   1 
ATOM   230 O  O   . THR A 1 32 ? 46.538 17.775 26.085 1.00 46.44 ? ? ? ? ? ? 32  THR A O   1 
ATOM   231 C  CB  . THR A 1 32 ? 44.454 15.424 25.473 1.00 45.62 ? ? ? ? ? ? 32  THR A CB  1 
ATOM   232 O  OG1 . THR A 1 32 ? 43.278 14.963 24.782 1.00 42.49 ? ? ? ? ? ? 32  THR A OG1 1 
ATOM   233 C  CG2 . THR A 1 32 ? 44.623 14.608 26.746 1.00 40.27 ? ? ? ? ? ? 32  THR A CG2 1 
ATOM   234 N  N   . VAL A 1 33 ? 45.184 17.711 27.878 1.00 39.97 ? ? ? ? ? ? 33  VAL A N   1 
ATOM   235 C  CA  . VAL A 1 33 ? 46.202 18.296 28.715 1.00 41.61 ? ? ? ? ? ? 33  VAL A CA  1 
ATOM   236 C  C   . VAL A 1 33 ? 47.209 17.221 29.118 1.00 45.18 ? ? ? ? ? ? 33  VAL A C   1 
ATOM   237 O  O   . VAL A 1 33 ? 46.857 16.126 29.578 1.00 45.80 ? ? ? ? ? ? 33  VAL A O   1 
ATOM   238 C  CB  . VAL A 1 33 ? 45.577 18.996 29.914 1.00 41.01 ? ? ? ? ? ? 33  VAL A CB  1 
ATOM   239 C  CG1 . VAL A 1 33 ? 44.525 19.974 29.432 1.00 43.12 ? ? ? ? ? ? 33  VAL A CG1 1 
ATOM   240 C  CG2 . VAL A 1 33 ? 44.840 18.027 30.684 1.00 44.86 ? ? ? ? ? ? 33  VAL A CG2 1 
ATOM   241 N  N   . LYS A 1 34 ? 48.475 17.542 28.937 1.00 47.44 ? ? ? ? ? ? 34  LYS A N   1 
ATOM   242 C  CA  . LYS A 1 34 ? 49.509 16.600 29.233 1.00 50.13 ? ? ? ? ? ? 34  LYS A CA  1 
ATOM   243 C  C   . LYS A 1 34 ? 50.332 17.099 30.398 1.00 51.45 ? ? ? ? ? ? 34  LYS A C   1 
ATOM   244 O  O   . LYS A 1 34 ? 51.132 16.355 30.962 1.00 55.65 ? ? ? ? ? ? 34  LYS A O   1 
ATOM   245 C  CB  . LYS A 1 34 ? 50.328 16.354 27.972 1.00 55.87 ? ? ? ? ? ? 34  LYS A CB  1 
ATOM   246 C  CG  . LYS A 1 34 ? 49.466 15.725 26.852 1.00 56.48 ? ? ? ? ? ? 34  LYS A CG  1 
ATOM   247 C  CD  . LYS A 1 34 ? 50.048 15.926 25.446 1.00 57.96 ? ? ? ? ? ? 34  LYS A CD  1 
ATOM   248 C  CE  . LYS A 1 34 ? 49.160 15.307 24.385 1.00 56.58 ? ? ? ? ? ? 34  LYS A CE  1 
ATOM   249 N  NZ  . LYS A 1 34 ? 48.675 13.935 24.796 1.00 71.26 ? ? ? ? ? ? 34  LYS A NZ  1 
ATOM   250 N  N   . LYS A 1 35 ? 50.115 18.351 30.776 1.00 49.22 ? ? ? ? ? ? 35  LYS A N   1 
ATOM   251 C  CA  . LYS A 1 35 ? 50.669 18.838 32.024 1.00 51.14 ? ? ? ? ? ? 35  LYS A CA  1 
ATOM   252 C  C   . LYS A 1 35 ? 50.190 17.920 33.142 1.00 55.81 ? ? ? ? ? ? 35  LYS A C   1 
ATOM   253 O  O   . LYS A 1 35 ? 48.991 17.817 33.422 1.00 54.53 ? ? ? ? ? ? 35  LYS A O   1 
ATOM   254 C  CB  . LYS A 1 35 ? 50.226 20.263 32.292 1.00 47.09 ? ? ? ? ? ? 35  LYS A CB  1 
ATOM   255 C  CG  . LYS A 1 35 ? 50.629 20.774 33.657 1.00 51.87 ? ? ? ? ? ? 35  LYS A CG  1 
ATOM   256 C  CD  . LYS A 1 35 ? 51.165 22.228 33.568 1.00 48.50 ? ? ? ? ? ? 35  LYS A CD  1 
ATOM   257 C  CE  . LYS A 1 35 ? 52.622 22.280 33.877 1.00 46.31 ? ? ? ? ? ? 35  LYS A CE  1 
ATOM   258 N  NZ  . LYS A 1 35 ? 53.398 22.984 32.804 1.00 55.12 ? ? ? ? ? ? 35  LYS A NZ  1 
ATOM   259 N  N   . ALA A 1 36 ? 51.128 17.209 33.756 1.00 58.95 ? ? ? ? ? ? 36  ALA A N   1 
ATOM   260 C  CA  . ALA A 1 36 ? 50.776 16.352 34.880 1.00 54.40 ? ? ? ? ? ? 36  ALA A CA  1 
ATOM   261 C  C   . ALA A 1 36 ? 50.409 17.267 36.037 1.00 53.73 ? ? ? ? ? ? 36  ALA A C   1 
ATOM   262 O  O   . ALA A 1 36 ? 50.985 18.347 36.213 1.00 52.34 ? ? ? ? ? ? 36  ALA A O   1 
ATOM   263 C  CB  . ALA A 1 36 ? 51.931 15.433 35.250 1.00 54.89 ? ? ? ? ? ? 36  ALA A CB  1 
ATOM   264 N  N   . GLY A 1 37 ? 49.417 16.844 36.799 1.00 54.09 ? ? ? ? ? ? 37  GLY A N   1 
ATOM   265 C  CA  . GLY A 1 37 ? 48.848 17.674 37.834 1.00 49.23 ? ? ? ? ? ? 37  GLY A CA  1 
ATOM   266 C  C   . GLY A 1 37 ? 47.353 17.416 37.921 1.00 50.49 ? ? ? ? ? ? 37  GLY A C   1 
ATOM   267 O  O   . GLY A 1 37 ? 46.869 16.325 37.551 1.00 48.76 ? ? ? ? ? ? 37  GLY A O   1 
ATOM   268 N  N   . PRO A 1 38 ? 46.600 18.427 38.393 1.00 48.71 ? ? ? ? ? ? 38  PRO A N   1 
ATOM   269 C  CA  . PRO A 1 38 ? 45.179 18.251 38.713 1.00 47.29 ? ? ? ? ? ? 38  PRO A CA  1 
ATOM   270 C  C   . PRO A 1 38 ? 44.351 18.197 37.441 1.00 42.83 ? ? ? ? ? ? 38  PRO A C   1 
ATOM   271 O  O   . PRO A 1 38 ? 43.225 17.728 37.435 1.00 37.08 ? ? ? ? ? ? 38  PRO A O   1 
ATOM   272 C  CB  . PRO A 1 38 ? 44.851 19.517 39.513 1.00 49.27 ? ? ? ? ? ? 38  PRO A CB  1 
ATOM   273 C  CG  . PRO A 1 38 ? 46.219 20.102 39.925 1.00 51.84 ? ? ? ? ? ? 38  PRO A CG  1 
ATOM   274 C  CD  . PRO A 1 38 ? 47.089 19.765 38.771 1.00 49.60 ? ? ? ? ? ? 38  PRO A CD  1 
ATOM   275 N  N   . ASN A 1 39 ? 44.927 18.699 36.360 1.00 43.44 ? ? ? ? ? ? 39  ASN A N   1 
ATOM   276 C  CA  . ASN A 1 39 ? 44.224 18.742 35.099 1.00 39.71 ? ? ? ? ? ? 39  ASN A CA  1 
ATOM   277 C  C   . ASN A 1 39 ? 44.596 17.631 34.145 1.00 39.52 ? ? ? ? ? ? 39  ASN A C   1 
ATOM   278 O  O   . ASN A 1 39 ? 43.862 17.392 33.214 1.00 40.36 ? ? ? ? ? ? 39  ASN A O   1 
ATOM   279 C  CB  . ASN A 1 39 ? 44.396 20.118 34.451 1.00 42.49 ? ? ? ? ? ? 39  ASN A CB  1 
ATOM   280 C  CG  . ASN A 1 39 ? 43.427 21.141 35.021 1.00 36.64 ? ? ? ? ? ? 39  ASN A CG  1 
ATOM   281 O  OD1 . ASN A 1 39 ? 42.219 20.879 35.130 1.00 35.05 ? ? ? ? ? ? 39  ASN A OD1 1 
ATOM   282 N  ND2 . ASN A 1 39 ? 43.946 22.281 35.414 1.00 31.69 ? ? ? ? ? ? 39  ASN A ND2 1 
ATOM   283 N  N   . CYS A 1 40 ? 45.699 16.923 34.409 1.00 46.65 ? ? ? ? ? ? 40  CYS A N   1 
ATOM   284 C  CA  . CYS A 1 40 ? 46.195 15.845 33.531 1.00 44.66 ? ? ? ? ? ? 40  CYS A CA  1 
ATOM   285 C  C   . CYS A 1 40 ? 45.094 14.931 33.004 1.00 43.91 ? ? ? ? ? ? 40  CYS A C   1 
ATOM   286 O  O   . CYS A 1 40 ? 44.242 14.473 33.763 1.00 41.32 ? ? ? ? ? ? 40  CYS A O   1 
ATOM   287 C  CB  . CYS A 1 40 ? 47.250 14.993 34.232 1.00 49.59 ? ? ? ? ? ? 40  CYS A CB  1 
ATOM   288 S  SG  . CYS A 1 40 ? 48.242 13.952 33.086 1.00 56.56 ? ? ? ? ? ? 40  CYS A SG  1 
ATOM   289 N  N   . GLY A 1 41 ? 45.097 14.705 31.690 1.00 42.86 ? ? ? ? ? ? 41  GLY A N   1 
ATOM   290 C  CA  . GLY A 1 41 ? 44.060 13.919 31.052 1.00 36.10 ? ? ? ? ? ? 41  GLY A CA  1 
ATOM   291 C  C   . GLY A 1 41 ? 42.765 14.628 30.731 1.00 39.16 ? ? ? ? ? ? 41  GLY A C   1 
ATOM   292 O  O   . GLY A 1 41 ? 41.982 14.092 29.944 1.00 37.37 ? ? ? ? ? ? 41  GLY A O   1 
ATOM   293 N  N   . ARG A 1 42 ? 42.509 15.816 31.309 1.00 41.55 ? ? ? ? ? ? 42  ARG A N   1 
ATOM   294 C  CA  . ARG A 1 42 ? 41.263 16.537 30.960 1.00 37.66 ? ? ? ? ? ? 42  ARG A CA  1 
ATOM   295 C  C   . ARG A 1 42 ? 41.325 16.957 29.516 1.00 36.28 ? ? ? ? ? ? 42  ARG A C   1 
ATOM   296 O  O   . ARG A 1 42 ? 42.407 17.058 28.949 1.00 38.53 ? ? ? ? ? ? 42  ARG A O   1 
ATOM   297 C  CB  . ARG A 1 42 ? 41.007 17.734 31.852 1.00 32.25 ? ? ? ? ? ? 42  ARG A CB  1 
ATOM   298 C  CG  . ARG A 1 42 ? 40.591 17.352 33.254 1.00 33.87 ? ? ? ? ? ? 42  ARG A CG  1 
ATOM   299 C  CD  . ARG A 1 42 ? 40.249 18.557 34.119 1.00 35.92 ? ? ? ? ? ? 42  ARG A CD  1 
ATOM   300 N  NE  . ARG A 1 42 ? 39.012 19.208 33.684 1.00 38.79 ? ? ? ? ? ? 42  ARG A NE  1 
ATOM   301 C  CZ  . ARG A 1 42 ? 38.643 20.448 34.015 1.00 38.25 ? ? ? ? ? ? 42  ARG A CZ  1 
ATOM   302 N  NH1 . ARG A 1 42 ? 39.402 21.197 34.818 1.00 37.88 ? ? ? ? ? ? 42  ARG A NH1 1 
ATOM   303 N  NH2 . ARG A 1 42 ? 37.500 20.934 33.545 1.00 38.01 ? ? ? ? ? ? 42  ARG A NH2 1 
ATOM   304 N  N   . GLN A 1 43 ? 40.177 17.160 28.894 1.00 36.59 ? ? ? ? ? ? 43  GLN A N   1 
ATOM   305 C  CA  . GLN A 1 43 ? 40.186 17.639 27.508 1.00 38.72 ? ? ? ? ? ? 43  GLN A CA  1 
ATOM   306 C  C   . GLN A 1 43 ? 39.420 18.961 27.249 1.00 36.99 ? ? ? ? ? ? 43  GLN A C   1 
ATOM   307 O  O   . GLN A 1 43 ? 38.528 19.355 28.016 1.00 33.86 ? ? ? ? ? ? 43  GLN A O   1 
ATOM   308 C  CB  . GLN A 1 43 ? 39.699 16.530 26.588 1.00 32.77 ? ? ? ? ? ? 43  GLN A CB  1 
ATOM   309 C  CG  . GLN A 1 43 ? 40.599 15.339 26.642 1.00 38.87 ? ? ? ? ? ? 43  GLN A CG  1 
ATOM   310 C  CD  . GLN A 1 43 ? 40.150 14.261 25.688 1.00 42.45 ? ? ? ? ? ? 43  GLN A CD  1 
ATOM   311 O  OE1 . GLN A 1 43 ? 39.079 13.650 25.879 1.00 38.43 ? ? ? ? ? ? 43  GLN A OE1 1 
ATOM   312 N  NE2 . GLN A 1 43 ? 40.937 14.048 24.618 1.00 40.72 ? ? ? ? ? ? 43  GLN A NE2 1 
ATOM   313 N  N   . PHE A 1 44 ? 39.756 19.637 26.158 1.00 34.56 ? ? ? ? ? ? 44  PHE A N   1 
ATOM   314 C  CA  . PHE A 1 44 ? 39.054 20.878 25.853 1.00 35.33 ? ? ? ? ? ? 44  PHE A CA  1 
ATOM   315 C  C   . PHE A 1 44 ? 39.038 21.132 24.373 1.00 37.24 ? ? ? ? ? ? 44  PHE A C   1 
ATOM   316 O  O   . PHE A 1 44 ? 39.783 20.493 23.626 1.00 37.78 ? ? ? ? ? ? 44  PHE A O   1 
ATOM   317 C  CB  . PHE A 1 44 ? 39.709 22.076 26.554 1.00 36.36 ? ? ? ? ? ? 44  PHE A CB  1 
ATOM   318 C  CG  . PHE A 1 44 ? 41.183 22.234 26.250 1.00 36.72 ? ? ? ? ? ? 44  PHE A CG  1 
ATOM   319 C  CD1 . PHE A 1 44 ? 42.133 21.669 27.070 1.00 37.59 ? ? ? ? ? ? 44  PHE A CD1 1 
ATOM   320 C  CD2 . PHE A 1 44 ? 41.611 22.947 25.144 1.00 37.79 ? ? ? ? ? ? 44  PHE A CD2 1 
ATOM   321 C  CE1 . PHE A 1 44 ? 43.479 21.806 26.788 1.00 41.64 ? ? ? ? ? ? 44  PHE A CE1 1 
ATOM   322 C  CE2 . PHE A 1 44 ? 42.953 23.092 24.867 1.00 38.16 ? ? ? ? ? ? 44  PHE A CE2 1 
ATOM   323 C  CZ  . PHE A 1 44 ? 43.889 22.524 25.690 1.00 40.92 ? ? ? ? ? ? 44  PHE A CZ  1 
ATOM   324 N  N   . TYR A 1 45 ? 38.190 22.073 23.964 1.00 34.66 ? ? ? ? ? ? 45  TYR A N   1 
ATOM   325 C  CA  . TYR A 1 45 ? 38.100 22.506 22.582 1.00 35.56 ? ? ? ? ? ? 45  TYR A CA  1 
ATOM   326 C  C   . TYR A 1 45 ? 38.704 23.904 22.388 1.00 36.68 ? ? ? ? ? ? 45  TYR A C   1 
ATOM   327 O  O   . TYR A 1 45 ? 38.553 24.811 23.242 1.00 36.14 ? ? ? ? ? ? 45  TYR A O   1 
ATOM   328 C  CB  . TYR A 1 45 ? 36.657 22.583 22.166 1.00 35.67 ? ? ? ? ? ? 45  TYR A CB  1 
ATOM   329 C  CG  . TYR A 1 45 ? 35.966 21.273 22.065 1.00 37.58 ? ? ? ? ? ? 45  TYR A CG  1 
ATOM   330 C  CD1 . TYR A 1 45 ? 36.332 20.356 21.102 1.00 39.19 ? ? ? ? ? ? 45  TYR A CD1 1 
ATOM   331 C  CD2 . TYR A 1 45 ? 34.902 20.976 22.893 1.00 40.30 ? ? ? ? ? ? 45  TYR A CD2 1 
ATOM   332 C  CE1 . TYR A 1 45 ? 35.670 19.154 20.987 1.00 46.13 ? ? ? ? ? ? 45  TYR A CE1 1 
ATOM   333 C  CE2 . TYR A 1 45 ? 34.218 19.786 22.781 1.00 43.72 ? ? ? ? ? ? 45  TYR A CE2 1 
ATOM   334 C  CZ  . TYR A 1 45 ? 34.602 18.881 21.831 1.00 48.59 ? ? ? ? ? ? 45  TYR A CZ  1 
ATOM   335 O  OH  . TYR A 1 45 ? 33.927 17.696 21.744 1.00 45.52 ? ? ? ? ? ? 45  TYR A OH  1 
ATOM   336 N  N   . VAL A 1 46 ? 39.329 24.079 21.231 1.00 33.69 ? ? ? ? ? ? 46  VAL A N   1 
ATOM   337 C  CA  . VAL A 1 46 ? 39.913 25.355 20.850 1.00 35.43 ? ? ? ? ? ? 46  VAL A CA  1 
ATOM   338 C  C   . VAL A 1 46 ? 39.790 25.531 19.343 1.00 37.87 ? ? ? ? ? ? 46  VAL A C   1 
ATOM   339 O  O   . VAL A 1 46 ? 39.544 24.553 18.619 1.00 36.03 ? ? ? ? ? ? 46  VAL A O   1 
ATOM   340 C  CB  . VAL A 1 46 ? 41.395 25.419 21.228 1.00 38.16 ? ? ? ? ? ? 46  VAL A CB  1 
ATOM   341 C  CG1 . VAL A 1 46 ? 41.536 25.562 22.731 1.00 37.37 ? ? ? ? ? ? 46  VAL A CG1 1 
ATOM   342 C  CG2 . VAL A 1 46 ? 42.144 24.165 20.720 1.00 33.60 ? ? ? ? ? ? 46  VAL A CG2 1 
ATOM   343 N  N   . CYS A 1 47 ? 39.942 26.765 18.868 1.00 36.08 ? ? ? ? ? ? 47  CYS A N   1 
ATOM   344 C  CA  . CYS A 1 47 ? 39.849 27.035 17.433 1.00 36.80 ? ? ? ? ? ? 47  CYS A CA  1 
ATOM   345 C  C   . CYS A 1 47 ? 40.938 26.250 16.704 1.00 34.62 ? ? ? ? ? ? 47  CYS A C   1 
ATOM   346 O  O   . CYS A 1 47 ? 42.005 26.059 17.253 1.00 34.80 ? ? ? ? ? ? 47  CYS A O   1 
ATOM   347 C  CB  . CYS A 1 47 ? 39.963 28.543 17.161 1.00 33.75 ? ? ? ? ? ? 47  CYS A CB  1 
ATOM   348 S  SG  . CYS A 1 47 ? 40.193 28.982 15.428 1.00 36.69 ? ? ? ? ? ? 47  CYS A SG  1 
ATOM   349 N  N   . ALA A 1 48 ? 40.643 25.769 15.495 1.00 36.16 ? ? ? ? ? ? 48  ALA A N   1 
ATOM   350 C  CA  . ALA A 1 48 ? 41.561 24.899 14.738 1.00 34.72 ? ? ? ? ? ? 48  ALA A CA  1 
ATOM   351 C  C   . ALA A 1 48 ? 42.499 25.660 13.802 1.00 36.03 ? ? ? ? ? ? 48  ALA A C   1 
ATOM   352 O  O   . ALA A 1 48 ? 43.349 25.052 13.141 1.00 36.02 ? ? ? ? ? ? 48  ALA A O   1 
ATOM   353 C  CB  . ALA A 1 48 ? 40.779 23.915 13.923 1.00 31.64 ? ? ? ? ? ? 48  ALA A CB  1 
ATOM   354 N  N   . ARG A 1 49 ? 42.329 26.968 13.682 1.00 33.06 ? ? ? ? ? ? 49  ARG A N   1 
ATOM   355 C  CA  . ARG A 1 49 ? 43.182 27.706 12.742 1.00 36.41 ? ? ? ? ? ? 49  ARG A CA  1 
ATOM   356 C  C   . ARG A 1 49 ? 44.629 27.731 13.233 1.00 32.81 ? ? ? ? ? ? 49  ARG A C   1 
ATOM   357 O  O   . ARG A 1 49 ? 44.881 27.693 14.427 1.00 33.15 ? ? ? ? ? ? 49  ARG A O   1 
ATOM   358 C  CB  . ARG A 1 49 ? 42.661 29.129 12.584 1.00 36.00 ? ? ? ? ? ? 49  ARG A CB  1 
ATOM   359 C  CG  . ARG A 1 49 ? 41.300 29.213 11.903 1.00 36.95 ? ? ? ? ? ? 49  ARG A CG  1 
ATOM   360 C  CD  . ARG A 1 49 ? 41.392 28.591 10.525 1.00 36.64 ? ? ? ? ? ? 49  ARG A CD  1 
ATOM   361 N  NE  . ARG A 1 49 ? 40.174 28.793 9.731  1.00 36.70 ? ? ? ? ? ? 49  ARG A NE  1 
ATOM   362 C  CZ  . ARG A 1 49 ? 39.999 29.799 8.878  1.00 36.40 ? ? ? ? ? ? 49  ARG A CZ  1 
ATOM   363 N  NH1 . ARG A 1 49 ? 40.942 30.721 8.723  1.00 38.78 ? ? ? ? ? ? 49  ARG A NH1 1 
ATOM   364 N  NH2 . ARG A 1 49 ? 38.875 29.899 8.185  1.00 36.91 ? ? ? ? ? ? 49  ARG A NH2 1 
ATOM   365 N  N   . PRO A 1 50 ? 45.588 27.783 12.318 1.00 34.22 ? ? ? ? ? ? 50  PRO A N   1 
ATOM   366 C  CA  . PRO A 1 50 ? 46.980 27.880 12.797 1.00 36.26 ? ? ? ? ? ? 50  PRO A CA  1 
ATOM   367 C  C   . PRO A 1 50 ? 47.156 29.178 13.533 1.00 39.47 ? ? ? ? ? ? 50  PRO A C   1 
ATOM   368 O  O   . PRO A 1 50 ? 46.378 30.108 13.351 1.00 41.90 ? ? ? ? ? ? 50  PRO A O   1 
ATOM   369 C  CB  . PRO A 1 50 ? 47.796 27.963 11.517 1.00 32.24 ? ? ? ? ? ? 50  PRO A CB  1 
ATOM   370 C  CG  . PRO A 1 50 ? 46.929 27.359 10.468 1.00 40.74 ? ? ? ? ? ? 50  PRO A CG  1 
ATOM   371 C  CD  . PRO A 1 50 ? 45.506 27.747 10.853 1.00 36.22 ? ? ? ? ? ? 50  PRO A CD  1 
ATOM   372 N  N   . GLU A 1 51 ? 48.169 29.254 14.371 1.00 44.51 ? ? ? ? ? ? 51  GLU A N   1 
ATOM   373 C  CA  . GLU A 1 51 ? 48.487 30.504 15.060 1.00 44.14 ? ? ? ? ? ? 51  GLU A CA  1 
ATOM   374 C  C   . GLU A 1 51 ? 49.013 31.558 14.074 1.00 40.07 ? ? ? ? ? ? 51  GLU A C   1 
ATOM   375 O  O   . GLU A 1 51 ? 49.541 31.237 12.994 1.00 37.33 ? ? ? ? ? ? 51  GLU A O   1 
ATOM   376 C  CB  . GLU A 1 51 ? 49.546 30.214 16.117 1.00 46.23 ? ? ? ? ? ? 51  GLU A CB  1 
ATOM   377 C  CG  . GLU A 1 51 ? 49.629 31.229 17.209 1.00 52.86 ? ? ? ? ? ? 51  GLU A CG  1 
ATOM   378 C  CD  . GLU A 1 51 ? 50.189 30.623 18.484 1.00 60.66 ? ? ? ? ? ? 51  GLU A CD  1 
ATOM   379 O  OE1 . GLU A 1 51 ? 49.548 29.674 19.018 1.00 60.73 ? ? ? ? ? ? 51  GLU A OE1 1 
ATOM   380 O  OE2 . GLU A 1 51 ? 51.268 31.084 18.941 1.00 58.31 ? ? ? ? ? ? 51  GLU A OE2 1 
ATOM   381 N  N   . GLY A 1 52 ? 48.887 32.824 14.443 1.00 40.99 ? ? ? ? ? ? 52  GLY A N   1 
ATOM   382 C  CA  . GLY A 1 52 ? 49.250 33.878 13.517 1.00 36.53 ? ? ? ? ? ? 52  GLY A CA  1 
ATOM   383 C  C   . GLY A 1 52 ? 49.173 35.237 14.147 1.00 37.07 ? ? ? ? ? ? 52  GLY A C   1 
ATOM   384 O  O   . GLY A 1 52 ? 48.861 35.389 15.334 1.00 36.44 ? ? ? ? ? ? 52  GLY A O   1 
ATOM   385 N  N   . HIS A 1 53 ? 49.465 36.250 13.350 1.00 37.56 ? ? ? ? ? ? 53  HIS A N   1 
ATOM   386 C  CA  . HIS A 1 53 ? 49.541 37.587 13.898 1.00 36.03 ? ? ? ? ? ? 53  HIS A CA  1 
ATOM   387 C  C   . HIS A 1 53 ? 48.179 38.103 14.352 1.00 37.22 ? ? ? ? ? ? 53  HIS A C   1 
ATOM   388 O  O   . HIS A 1 53 ? 47.152 37.882 13.695 1.00 36.17 ? ? ? ? ? ? 53  HIS A O   1 
ATOM   389 C  CB  . HIS A 1 53 ? 50.186 38.546 12.898 1.00 38.05 ? ? ? ? ? ? 53  HIS A CB  1 
ATOM   390 C  CG  . HIS A 1 53 ? 50.642 39.829 13.520 1.00 38.62 ? ? ? ? ? ? 53  HIS A CG  1 
ATOM   391 N  ND1 . HIS A 1 53 ? 49.897 40.994 13.458 1.00 37.99 ? ? ? ? ? ? 53  HIS A ND1 1 
ATOM   392 C  CD2 . HIS A 1 53 ? 51.736 40.112 14.262 1.00 30.53 ? ? ? ? ? ? 53  HIS A CD2 1 
ATOM   393 C  CE1 . HIS A 1 53 ? 50.540 41.949 14.109 1.00 36.56 ? ? ? ? ? ? 53  HIS A CE1 1 
ATOM   394 N  NE2 . HIS A 1 53 ? 51.651 41.439 14.613 1.00 38.01 ? ? ? ? ? ? 53  HIS A NE2 1 
ATOM   395 N  N   . SER A 1 54 ? 48.188 38.814 15.475 1.00 37.58 ? ? ? ? ? ? 54  SER A N   1 
ATOM   396 C  CA  . SER A 1 54 ? 46.981 39.412 16.059 1.00 41.84 ? ? ? ? ? ? 54  SER A CA  1 
ATOM   397 C  C   . SER A 1 54 ? 46.107 40.207 15.049 1.00 42.32 ? ? ? ? ? ? 54  SER A C   1 
ATOM   398 O  O   . SER A 1 54 ? 44.902 40.334 15.228 1.00 40.74 ? ? ? ? ? ? 54  SER A O   1 
ATOM   399 C  CB  . SER A 1 54 ? 47.383 40.330 17.214 1.00 43.24 ? ? ? ? ? ? 54  SER A CB  1 
ATOM   400 O  OG  . SER A 1 54 ? 47.430 41.683 16.760 1.00 46.98 ? ? ? ? ? ? 54  SER A OG  1 
ATOM   401 N  N   . SER A 1 55 ? 46.746 40.737 14.006 1.00 41.94 ? ? ? ? ? ? 55  SER A N   1 
ATOM   402 C  CA  . SER A 1 55 ? 46.071 41.391 12.890 1.00 35.32 ? ? ? ? ? ? 55  SER A CA  1 
ATOM   403 C  C   . SER A 1 55 ? 45.480 40.401 11.885 1.00 35.10 ? ? ? ? ? ? 55  SER A C   1 
ATOM   404 O  O   . SER A 1 55 ? 44.774 40.813 10.966 1.00 37.46 ? ? ? ? ? ? 55  SER A O   1 
ATOM   405 C  CB  . SER A 1 55 ? 47.076 42.277 12.143 1.00 36.43 ? ? ? ? ? ? 55  SER A CB  1 
ATOM   406 O  OG  . SER A 1 55 ? 48.028 41.482 11.418 1.00 37.81 ? ? ? ? ? ? 55  SER A OG  1 
ATOM   407 N  N   . ASN A 1 56 ? 45.776 39.111 12.017 1.00 32.92 ? ? ? ? ? ? 56  ASN A N   1 
ATOM   408 C  CA  . ASN A 1 56 ? 45.328 38.157 10.998 1.00 36.59 ? ? ? ? ? ? 56  ASN A CA  1 
ATOM   409 C  C   . ASN A 1 56 ? 43.960 37.504 11.290 1.00 34.75 ? ? ? ? ? ? 56  ASN A C   1 
ATOM   410 O  O   . ASN A 1 56 ? 43.853 36.617 12.153 1.00 33.75 ? ? ? ? ? ? 56  ASN A O   1 
ATOM   411 C  CB  . ASN A 1 56 ? 46.373 37.060 10.825 1.00 34.43 ? ? ? ? ? ? 56  ASN A CB  1 
ATOM   412 C  CG  . ASN A 1 56 ? 46.219 36.286 9.526  1.00 34.80 ? ? ? ? ? ? 56  ASN A CG  1 
ATOM   413 O  OD1 . ASN A 1 56 ? 45.377 36.594 8.678  1.00 35.78 ? ? ? ? ? ? 56  ASN A OD1 1 
ATOM   414 N  ND2 . ASN A 1 56 ? 47.066 35.278 9.357  1.00 37.80 ? ? ? ? ? ? 56  ASN A ND2 1 
ATOM   415 N  N   . PRO A 1 57 ? 42.915 37.915 10.551 1.00 35.97 ? ? ? ? ? ? 57  PRO A N   1 
ATOM   416 C  CA  . PRO A 1 57 ? 41.600 37.321 10.855 1.00 38.78 ? ? ? ? ? ? 57  PRO A CA  1 
ATOM   417 C  C   . PRO A 1 57 ? 41.636 35.807 10.651 1.00 36.90 ? ? ? ? ? ? 57  PRO A C   1 
ATOM   418 O  O   . PRO A 1 57 ? 40.900 35.126 11.342 1.00 35.54 ? ? ? ? ? ? 57  PRO A O   1 
ATOM   419 C  CB  . PRO A 1 57 ? 40.641 37.970 9.841  1.00 31.49 ? ? ? ? ? ? 57  PRO A CB  1 
ATOM   420 C  CG  . PRO A 1 57 ? 41.441 38.880 9.029  1.00 31.73 ? ? ? ? ? ? 57  PRO A CG  1 
ATOM   421 C  CD  . PRO A 1 57 ? 42.905 38.659 9.282  1.00 36.04 ? ? ? ? ? ? 57  PRO A CD  1 
ATOM   422 N  N   . GLN A 1 58 ? 42.510 35.302 9.779  1.00 37.39 ? ? ? ? ? ? 58  GLN A N   1 
ATOM   423 C  CA  . GLN A 1 58 ? 42.535 33.872 9.490  1.00 37.28 ? ? ? ? ? ? 58  GLN A CA  1 
ATOM   424 C  C   . GLN A 1 58 ? 43.223 33.090 10.614 1.00 36.11 ? ? ? ? ? ? 58  GLN A C   1 
ATOM   425 O  O   . GLN A 1 58 ? 43.017 31.892 10.762 1.00 34.72 ? ? ? ? ? ? 58  GLN A O   1 
ATOM   426 C  CB  . GLN A 1 58 ? 43.175 33.591 8.124  1.00 37.79 ? ? ? ? ? ? 58  GLN A CB  1 
ATOM   427 C  CG  . GLN A 1 58 ? 42.557 34.340 6.955  1.00 41.08 ? ? ? ? ? ? 58  GLN A CG  1 
ATOM   428 C  CD  . GLN A 1 58 ? 41.033 34.140 6.833  1.00 47.66 ? ? ? ? ? ? 58  GLN A CD  1 
ATOM   429 O  OE1 . GLN A 1 58 ? 40.519 33.041 7.070  1.00 45.18 ? ? ? ? ? ? 58  GLN A OE1 1 
ATOM   430 N  NE2 . GLN A 1 58 ? 40.307 35.215 6.461  1.00 47.05 ? ? ? ? ? ? 58  GLN A NE2 1 
ATOM   431 N  N   . ALA A 1 59 ? 44.009 33.776 11.434 1.00 36.69 ? ? ? ? ? ? 59  ALA A N   1 
ATOM   432 C  CA  . ALA A 1 59 ? 44.698 33.109 12.544 1.00 34.60 ? ? ? ? ? ? 59  ALA A CA  1 
ATOM   433 C  C   . ALA A 1 59 ? 43.705 32.602 13.588 1.00 32.63 ? ? ? ? ? ? 59  ALA A C   1 
ATOM   434 O  O   . ALA A 1 59 ? 42.561 33.025 13.611 1.00 33.43 ? ? ? ? ? ? 59  ALA A O   1 
ATOM   435 C  CB  . ALA A 1 59 ? 45.723 34.048 13.180 1.00 33.11 ? ? ? ? ? ? 59  ALA A CB  1 
ATOM   436 N  N   . ARG A 1 60 ? 44.147 31.680 14.437 1.00 35.07 ? ? ? ? ? ? 60  ARG A N   1 
ATOM   437 C  CA  . ARG A 1 60 ? 43.326 31.103 15.516 1.00 34.86 ? ? ? ? ? ? 60  ARG A CA  1 
ATOM   438 C  C   . ARG A 1 60 ? 42.636 32.191 16.329 1.00 35.94 ? ? ? ? ? ? 60  ARG A C   1 
ATOM   439 O  O   . ARG A 1 60 ? 43.223 33.240 16.528 1.00 35.15 ? ? ? ? ? ? 60  ARG A O   1 
ATOM   440 C  CB  . ARG A 1 60 ? 44.215 30.271 16.424 1.00 34.86 ? ? ? ? ? ? 60  ARG A CB  1 
ATOM   441 C  CG  . ARG A 1 60 ? 43.585 29.776 17.689 1.00 38.35 ? ? ? ? ? ? 60  ARG A CG  1 
ATOM   442 C  CD  . ARG A 1 60 ? 44.562 28.861 18.375 1.00 43.68 ? ? ? ? ? ? 60  ARG A CD  1 
ATOM   443 N  NE  . ARG A 1 60 ? 45.023 27.809 17.457 1.00 46.29 ? ? ? ? ? ? 60  ARG A NE  1 
ATOM   444 C  CZ  . ARG A 1 60 ? 46.236 27.247 17.479 1.00 48.49 ? ? ? ? ? ? 60  ARG A CZ  1 
ATOM   445 N  NH1 . ARG A 1 60 ? 47.143 27.617 18.382 1.00 47.13 ? ? ? ? ? ? 60  ARG A NH1 1 
ATOM   446 N  NH2 . ARG A 1 60 ? 46.544 26.306 16.588 1.00 47.97 ? ? ? ? ? ? 60  ARG A NH2 1 
ATOM   447 N  N   . CYS A 1 61 ? 41.390 31.947 16.761 1.00 32.77 ? ? ? ? ? ? 61  CYS A N   1 
ATOM   448 C  CA  . CYS A 1 61 ? 40.633 32.883 17.591 1.00 28.97 ? ? ? ? ? ? 61  CYS A CA  1 
ATOM   449 C  C   . CYS A 1 61 ? 40.671 32.340 18.989 1.00 30.80 ? ? ? ? ? ? 61  CYS A C   1 
ATOM   450 O  O   . CYS A 1 61 ? 41.276 31.308 19.215 1.00 33.64 ? ? ? ? ? ? 61  CYS A O   1 
ATOM   451 C  CB  . CYS A 1 61 ? 39.202 33.030 17.101 1.00 30.97 ? ? ? ? ? ? 61  CYS A CB  1 
ATOM   452 S  SG  . CYS A 1 61 ? 38.242 31.461 17.139 1.00 40.20 ? ? ? ? ? ? 61  CYS A SG  1 
ATOM   453 N  N   . ASN A 1 62 ? 40.008 33.006 19.925 1.00 33.58 ? ? ? ? ? ? 62  ASN A N   1 
ATOM   454 C  CA  . ASN A 1 62 ? 40.179 32.702 21.358 1.00 37.08 ? ? ? ? ? ? 62  ASN A CA  1 
ATOM   455 C  C   . ASN A 1 62 ? 39.221 31.696 22.009 1.00 35.75 ? ? ? ? ? ? 62  ASN A C   1 
ATOM   456 O  O   . ASN A 1 62 ? 39.128 31.642 23.247 1.00 34.69 ? ? ? ? ? ? 62  ASN A O   1 
ATOM   457 C  CB  . ASN A 1 62 ? 40.135 33.996 22.173 1.00 43.11 ? ? ? ? ? ? 62  ASN A CB  1 
ATOM   458 C  CG  . ASN A 1 62 ? 41.437 34.766 22.119 1.00 52.83 ? ? ? ? ? ? 62  ASN A CG  1 
ATOM   459 O  OD1 . ASN A 1 62 ? 42.520 34.164 22.117 1.00 58.87 ? ? ? ? ? ? 62  ASN A OD1 1 
ATOM   460 N  ND2 . ASN A 1 62 ? 41.349 36.118 22.101 1.00 55.55 ? ? ? ? ? ? 62  ASN A ND2 1 
ATOM   461 N  N   . PHE A 1 63 ? 38.498 30.925 21.203 1.00 33.09 ? ? ? ? ? ? 63  PHE A N   1 
ATOM   462 C  CA  . PHE A 1 63 ? 37.565 29.930 21.748 1.00 35.43 ? ? ? ? ? ? 63  PHE A CA  1 
ATOM   463 C  C   . PHE A 1 63 ? 38.239 28.980 22.757 1.00 36.60 ? ? ? ? ? ? 63  PHE A C   1 
ATOM   464 O  O   . PHE A 1 63 ? 39.387 28.530 22.575 1.00 36.02 ? ? ? ? ? ? 63  PHE A O   1 
ATOM   465 C  CB  . PHE A 1 63 ? 36.928 29.138 20.614 1.00 34.09 ? ? ? ? ? ? 63  PHE A CB  1 
ATOM   466 C  CG  . PHE A 1 63 ? 35.774 28.302 21.037 1.00 39.05 ? ? ? ? ? ? 63  PHE A CG  1 
ATOM   467 C  CD1 . PHE A 1 63 ? 34.490 28.836 21.097 1.00 43.63 ? ? ? ? ? ? 63  PHE A CD1 1 
ATOM   468 C  CD2 . PHE A 1 63 ? 35.951 26.965 21.366 1.00 40.80 ? ? ? ? ? ? 63  PHE A CD2 1 
ATOM   469 C  CE1 . PHE A 1 63 ? 33.398 28.048 21.480 1.00 38.81 ? ? ? ? ? ? 63  PHE A CE1 1 
ATOM   470 C  CE2 . PHE A 1 63 ? 34.862 26.167 21.754 1.00 39.47 ? ? ? ? ? ? 63  PHE A CE2 1 
ATOM   471 C  CZ  . PHE A 1 63 ? 33.595 26.709 21.820 1.00 38.33 ? ? ? ? ? ? 63  PHE A CZ  1 
ATOM   472 N  N   . PHE A 1 64 ? 37.547 28.724 23.858 1.00 36.64 ? ? ? ? ? ? 64  PHE A N   1 
ATOM   473 C  CA  . PHE A 1 64 ? 38.013 27.753 24.818 1.00 35.17 ? ? ? ? ? ? 64  PHE A CA  1 
ATOM   474 C  C   . PHE A 1 64 ? 36.795 27.147 25.475 1.00 38.42 ? ? ? ? ? ? 64  PHE A C   1 
ATOM   475 O  O   . PHE A 1 64 ? 35.917 27.887 25.920 1.00 38.70 ? ? ? ? ? ? 64  PHE A O   1 
ATOM   476 C  CB  . PHE A 1 64 ? 38.868 28.355 25.903 1.00 29.42 ? ? ? ? ? ? 64  PHE A CB  1 
ATOM   477 C  CG  . PHE A 1 64 ? 39.374 27.320 26.882 1.00 37.33 ? ? ? ? ? ? 64  PHE A CG  1 
ATOM   478 C  CD1 . PHE A 1 64 ? 40.354 26.403 26.509 1.00 38.30 ? ? ? ? ? ? 64  PHE A CD1 1 
ATOM   479 C  CD2 . PHE A 1 64 ? 38.829 27.205 28.149 1.00 37.61 ? ? ? ? ? ? 64  PHE A CD2 1 
ATOM   480 C  CE1 . PHE A 1 64 ? 40.809 25.446 27.396 1.00 34.42 ? ? ? ? ? ? 64  PHE A CE1 1 
ATOM   481 C  CE2 . PHE A 1 64 ? 39.290 26.232 29.035 1.00 34.92 ? ? ? ? ? ? 64  PHE A CE2 1 
ATOM   482 C  CZ  . PHE A 1 64 ? 40.275 25.369 28.656 1.00 31.72 ? ? ? ? ? ? 64  PHE A CZ  1 
ATOM   483 N  N   . LEU A 1 65 ? 36.735 25.815 25.531 1.00 34.51 ? ? ? ? ? ? 65  LEU A N   1 
ATOM   484 C  CA  . LEU A 1 65 ? 35.616 25.172 26.197 1.00 32.96 ? ? ? ? ? ? 65  LEU A CA  1 
ATOM   485 C  C   . LEU A 1 65 ? 36.019 23.816 26.779 1.00 35.12 ? ? ? ? ? ? 65  LEU A C   1 
ATOM   486 O  O   . LEU A 1 65 ? 36.522 22.968 26.063 1.00 34.76 ? ? ? ? ? ? 65  LEU A O   1 
ATOM   487 C  CB  . LEU A 1 65 ? 34.467 25.037 25.212 1.00 35.10 ? ? ? ? ? ? 65  LEU A CB  1 
ATOM   488 C  CG  . LEU A 1 65 ? 33.074 24.905 25.834 1.00 37.37 ? ? ? ? ? ? 65  LEU A CG  1 
ATOM   489 C  CD1 . LEU A 1 65 ? 32.593 23.479 25.725 1.00 33.91 ? ? ? ? ? ? 65  LEU A CD1 1 
ATOM   490 C  CD2 . LEU A 1 65 ? 33.097 25.362 27.300 1.00 36.78 ? ? ? ? ? ? 65  LEU A CD2 1 
ATOM   491 N  N   . TRP A 1 66 ? 35.862 23.635 28.086 1.00 34.66 ? ? ? ? ? ? 66  TRP A N   1 
ATOM   492 C  CA  . TRP A 1 66 ? 36.237 22.375 28.692 1.00 35.92 ? ? ? ? ? ? 66  TRP A CA  1 
ATOM   493 C  C   . TRP A 1 66 ? 35.227 21.364 28.237 1.00 39.69 ? ? ? ? ? ? 66  TRP A C   1 
ATOM   494 O  O   . TRP A 1 66 ? 34.020 21.622 28.286 1.00 38.69 ? ? ? ? ? ? 66  TRP A O   1 
ATOM   495 C  CB  . TRP A 1 66 ? 36.133 22.426 30.205 1.00 35.46 ? ? ? ? ? ? 66  TRP A CB  1 
ATOM   496 C  CG  . TRP A 1 66 ? 37.259 23.076 30.876 1.00 35.99 ? ? ? ? ? ? 66  TRP A CG  1 
ATOM   497 C  CD1 . TRP A 1 66 ? 37.229 24.246 31.568 1.00 36.10 ? ? ? ? ? ? 66  TRP A CD1 1 
ATOM   498 C  CD2 . TRP A 1 66 ? 38.608 22.596 30.960 1.00 37.92 ? ? ? ? ? ? 66  TRP A CD2 1 
ATOM   499 N  NE1 . TRP A 1 66 ? 38.473 24.530 32.080 1.00 36.97 ? ? ? ? ? ? 66  TRP A NE1 1 
ATOM   500 C  CE2 . TRP A 1 66 ? 39.341 23.535 31.714 1.00 37.87 ? ? ? ? ? ? 66  TRP A CE2 1 
ATOM   501 C  CE3 . TRP A 1 66 ? 39.270 21.459 30.472 1.00 39.18 ? ? ? ? ? ? 66  TRP A CE3 1 
ATOM   502 C  CZ2 . TRP A 1 66 ? 40.706 23.377 31.986 1.00 36.90 ? ? ? ? ? ? 66  TRP A CZ2 1 
ATOM   503 C  CZ3 . TRP A 1 66 ? 40.629 21.305 30.735 1.00 36.14 ? ? ? ? ? ? 66  TRP A CZ3 1 
ATOM   504 C  CH2 . TRP A 1 66 ? 41.328 22.256 31.490 1.00 36.35 ? ? ? ? ? ? 66  TRP A CH2 1 
ATOM   505 N  N   . LEU A 1 67 ? 35.721 20.210 27.807 1.00 40.22 ? ? ? ? ? ? 67  LEU A N   1 
ATOM   506 C  CA  . LEU A 1 67 ? 34.872 19.078 27.519 1.00 40.02 ? ? ? ? ? ? 67  LEU A CA  1 
ATOM   507 C  C   . LEU A 1 67 ? 34.359 18.512 28.835 1.00 45.19 ? ? ? ? ? ? 67  LEU A C   1 
ATOM   508 O  O   . LEU A 1 67 ? 35.142 18.137 29.700 1.00 44.06 ? ? ? ? ? ? 67  LEU A O   1 
ATOM   509 C  CB  . LEU A 1 67 ? 35.665 17.990 26.798 1.00 40.18 ? ? ? ? ? ? 67  LEU A CB  1 
ATOM   510 C  CG  . LEU A 1 67 ? 34.785 16.756 26.604 1.00 38.65 ? ? ? ? ? ? 67  LEU A CG  1 
ATOM   511 C  CD1 . LEU A 1 67 ? 33.473 17.174 25.954 1.00 45.04 ? ? ? ? ? ? 67  LEU A CD1 1 
ATOM   512 C  CD2 . LEU A 1 67 ? 35.448 15.745 25.763 1.00 34.40 ? ? ? ? ? ? 67  LEU A CD2 1 
ATOM   513 N  N   . THR A 1 68 ? 33.044 18.448 28.991 1.00 50.14 ? ? ? ? ? ? 68  THR A N   1 
ATOM   514 C  CA  . THR A 1 68 ? 32.467 17.757 30.145 1.00 54.49 ? ? ? ? ? ? 68  THR A CA  1 
ATOM   515 C  C   . THR A 1 68 ? 31.996 16.358 29.772 1.00 57.88 ? ? ? ? ? ? 68  THR A C   1 
ATOM   516 O  O   . THR A 1 68 ? 31.358 15.677 30.579 1.00 66.63 ? ? ? ? ? ? 68  THR A O   1 
ATOM   517 C  CB  . THR A 1 68 ? 31.282 18.525 30.735 1.00 57.65 ? ? ? ? ? ? 68  THR A CB  1 
ATOM   518 O  OG1 . THR A 1 68 ? 30.446 18.985 29.664 1.00 61.89 ? ? ? ? ? ? 68  THR A OG1 1 
ATOM   519 C  CG2 . THR A 1 68 ? 31.782 19.733 31.566 1.00 57.06 ? ? ? ? ? ? 68  THR A CG2 1 
HETATM 520 ZN ZN  . ZN  B 2 .  ? 38.325 30.208 15.144 1.00 48.53 ? ? ? ? ? ? 101 ZN  A ZN  1 
HETATM 521 S  S   . SO4 C 3 .  ? 46.078 15.992 21.656 1.00 75.73 ? ? ? ? ? ? 102 SO4 A S   1 
HETATM 522 O  O1  . SO4 C 3 .  ? 47.402 15.357 21.643 1.00 67.98 ? ? ? ? ? ? 102 SO4 A O1  1 
HETATM 523 O  O2  . SO4 C 3 .  ? 45.796 16.610 20.343 1.00 66.20 ? ? ? ? ? ? 102 SO4 A O2  1 
HETATM 524 O  O3  . SO4 C 3 .  ? 46.086 17.044 22.700 1.00 59.30 ? ? ? ? ? ? 102 SO4 A O3  1 
HETATM 525 O  O4  . SO4 C 3 .  ? 45.036 14.994 21.924 1.00 55.13 ? ? ? ? ? ? 102 SO4 A O4  1 
HETATM 526 O  O   . HOH D 4 .  ? 42.853 14.817 22.032 1.00 44.83 ? ? ? ? ? ? 201 HOH A O   1 
HETATM 527 O  O   . HOH D 4 .  ? 38.627 26.290 11.799 1.00 33.12 ? ? ? ? ? ? 202 HOH A O   1 
HETATM 528 O  O   . HOH D 4 .  ? 40.880 28.721 20.838 1.00 37.37 ? ? ? ? ? ? 203 HOH A O   1 
HETATM 529 O  O   . HOH D 4 .  ? 47.216 29.819 19.201 1.00 53.23 ? ? ? ? ? ? 204 HOH A O   1 
HETATM 530 O  O   . HOH D 4 .  ? 49.826 35.740 10.942 1.00 37.44 ? ? ? ? ? ? 205 HOH A O   1 
HETATM 531 O  O   . HOH D 4 .  ? 46.867 43.935 15.737 1.00 34.94 ? ? ? ? ? ? 206 HOH A O   1 
HETATM 532 O  O   . HOH D 4 .  ? 47.778 16.887 18.616 1.00 55.69 ? ? ? ? ? ? 207 HOH A O   1 
HETATM 533 O  O   . HOH D 4 .  ? 38.375 26.212 14.165 1.00 34.62 ? ? ? ? ? ? 208 HOH A O   1 
HETATM 534 O  O   . HOH D 4 .  ? 37.581 23.539 11.555 1.00 36.67 ? ? ? ? ? ? 209 HOH A O   1 
HETATM 535 O  O   . HOH D 4 .  ? 47.084 23.096 19.284 1.00 55.68 ? ? ? ? ? ? 210 HOH A O   1 
HETATM 536 O  O   . HOH D 4 .  ? 47.430 19.924 35.708 1.00 51.78 ? ? ? ? ? ? 211 HOH A O   1 
HETATM 537 O  O   . HOH D 4 .  ? 34.978 19.447 32.244 1.00 39.97 ? ? ? ? ? ? 212 HOH A O   1 
HETATM 538 O  O   . HOH D 4 .  ? 33.742 15.425 32.159 1.00 48.65 ? ? ? ? ? ? 213 HOH A O   1 
HETATM 539 O  O   . HOH D 4 .  ? 49.536 26.699 14.614 1.00 40.46 ? ? ? ? ? ? 214 HOH A O   1 
HETATM 540 O  O   . HOH D 4 .  ? 35.021 30.326 24.569 1.00 43.01 ? ? ? ? ? ? 215 HOH A O   1 
HETATM 541 O  O   . HOH D 4 .  ? 39.351 17.446 17.118 1.00 35.50 ? ? ? ? ? ? 216 HOH A O   1 
HETATM 542 O  O   . HOH D 4 .  ? 41.642 35.584 15.265 1.00 31.42 ? ? ? ? ? ? 217 HOH A O   1 
HETATM 543 O  O   . HOH D 4 .  ? 49.574 24.783 18.644 1.00 43.42 ? ? ? ? ? ? 218 HOH A O   1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  SER 1  1  ?  ?   ?   A . n 
A 1 2  ASN 2  2  2  ASN ASN A . n 
A 1 3  ALA 3  3  3  ALA ALA A . n 
A 1 4  GLN 4  4  4  GLN GLN A . n 
A 1 5  THR 5  5  5  THR THR A . n 
A 1 6  ALA 6  6  6  ALA ALA A . n 
A 1 7  PHE 7  7  7  PHE PHE A . n 
A 1 8  TRP 8  8  8  TRP TRP A . n 
A 1 9  LYS 9  9  9  LYS LYS A . n 
A 1 10 SER 10 10 10 SER SER A . n 
A 1 11 LEU 11 11 11 LEU LEU A . n 
A 1 12 LEU 12 12 12 LEU LEU A . n 
A 1 13 LYS 13 13 13 LYS LYS A . n 
A 1 14 GLY 14 14 14 GLY GLY A . n 
A 1 15 PRO 15 15 15 PRO PRO A . n 
A 1 16 PRO 16 16 16 PRO PRO A . n 
A 1 17 PRO 17 17 17 PRO PRO A . n 
A 1 18 PRO 18 18 18 PRO PRO A . n 
A 1 19 PRO 19 19 19 PRO PRO A . n 
A 1 20 ASN 20 20 20 ASN ASN A . n 
A 1 21 CYS 21 21 21 CYS CYS A . n 
A 1 22 LYS 22 22 22 LYS LYS A . n 
A 1 23 GLY 23 23 23 GLY GLY A . n 
A 1 24 HIS 24 24 24 HIS HIS A . n 
A 1 25 SER 25 25 25 SER SER A . n 
A 1 26 GLU 26 26 26 GLU GLU A . n 
A 1 27 PRO 27 27 27 PRO PRO A . n 
A 1 28 CYS 28 28 28 CYS CYS A . n 
A 1 29 VAL 29 29 29 VAL VAL A . n 
A 1 30 LEU 30 30 30 LEU LEU A . n 
A 1 31 ARG 31 31 31 ARG ARG A . n 
A 1 32 THR 32 32 32 THR THR A . n 
A 1 33 VAL 33 33 33 VAL VAL A . n 
A 1 34 LYS 34 34 34 LYS LYS A . n 
A 1 35 LYS 35 35 35 LYS LYS A . n 
A 1 36 ALA 36 36 36 ALA ALA A . n 
A 1 37 GLY 37 37 37 GLY GLY A . n 
A 1 38 PRO 38 38 38 PRO PRO A . n 
A 1 39 ASN 39 39 39 ASN ASN A . n 
A 1 40 CYS 40 40 40 CYS CYS A . n 
A 1 41 GLY 41 41 41 GLY GLY A . n 
A 1 42 ARG 42 42 42 ARG ARG A . n 
A 1 43 GLN 43 43 43 GLN GLN A . n 
A 1 44 PHE 44 44 44 PHE PHE A . n 
A 1 45 TYR 45 45 45 TYR TYR A . n 
A 1 46 VAL 46 46 46 VAL VAL A . n 
A 1 47 CYS 47 47 47 CYS CYS A . n 
A 1 48 ALA 48 48 48 ALA ALA A . n 
A 1 49 ARG 49 49 49 ARG ARG A . n 
A 1 50 PRO 50 50 50 PRO PRO A . n 
A 1 51 GLU 51 51 51 GLU GLU A . n 
A 1 52 GLY 52 52 52 GLY GLY 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 SER 55 55 55 SER SER A . n 
A 1 56 ASN 56 56 56 ASN ASN A . n 
A 1 57 PRO 57 57 57 PRO PRO A . n 
A 1 58 GLN 58 58 58 GLN GLN A . n 
A 1 59 ALA 59 59 59 ALA ALA A . n 
A 1 60 ARG 60 60 60 ARG ARG A . n 
A 1 61 CYS 61 61 61 CYS CYS A . n 
A 1 62 ASN 62 62 62 ASN ASN A . n 
A 1 63 PHE 63 63 63 PHE PHE A . n 
A 1 64 PHE 64 64 64 PHE PHE A . n 
A 1 65 LEU 65 65 65 LEU LEU A . n 
A 1 66 TRP 66 66 66 TRP TRP A . n 
A 1 67 LEU 67 67 67 LEU LEU A . n 
A 1 68 THR 68 68 68 THR THR A . n 
A 1 69 LYS 69 69 ?  ?   ?   A . n 
A 1 70 LYS 70 70 ?  ?   ?   A . n 
A 1 71 ALA 71 71 ?  ?   ?   A . n 
A 1 72 GLY 72 72 ?  ?   ?   A . n 
A 1 73 CYS 73 73 ?  ?   ?   A . n 
A 1 74 GLU 74 74 ?  ?   ?   A . n 
A 1 75 ASP 75 75 ?  ?   ?   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 ZN  1  101 1  ZN  ZN  A . 
C 3 SO4 1  102 1  SO4 SO4 A . 
D 4 HOH 1  201 9  HOH HOH A . 
D 4 HOH 2  202 6  HOH HOH A . 
D 4 HOH 3  203 3  HOH HOH A . 
D 4 HOH 4  204 17 HOH HOH A . 
D 4 HOH 5  205 5  HOH HOH A . 
D 4 HOH 6  206 12 HOH HOH A . 
D 4 HOH 7  207 18 HOH HOH A . 
D 4 HOH 8  208 4  HOH HOH A . 
D 4 HOH 9  209 1  HOH HOH A . 
D 4 HOH 10 210 11 HOH HOH A . 
D 4 HOH 11 211 15 HOH HOH A . 
D 4 HOH 12 212 10 HOH HOH A . 
D 4 HOH 13 213 7  HOH HOH A . 
D 4 HOH 14 214 16 HOH HOH A . 
D 4 HOH 15 215 14 HOH HOH A . 
D 4 HOH 16 216 2  HOH HOH A . 
D 4 HOH 17 217 8  HOH HOH A . 
D 4 HOH 18 218 13 HOH HOH A . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 180  ? 
1 MORE         -13  ? 
1 'SSA (A^2)'  5680 ? 
# 
_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 SG  ? A CYS 21 ? A CYS 21 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 ND1 ? A HIS 24 ? A HIS 24 ? 1_555 104.4 ? 
2 SG  ? A CYS 21 ? A CYS 21 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 47 ? A CYS 47 ? 1_555 120.5 ? 
3 ND1 ? A HIS 24 ? A HIS 24 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 47 ? A CYS 47 ? 1_555 110.6 ? 
4 SG  ? A CYS 21 ? A CYS 21 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 61 ? A CYS 61 ? 1_555 103.2 ? 
5 ND1 ? A HIS 24 ? A HIS 24 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 61 ? A CYS 61 ? 1_555 116.4 ? 
6 SG  ? A CYS 47 ? A CYS 47 ? 1_555 ZN ? B ZN . ? A ZN 101 ? 1_555 SG  ? A CYS 61 ? A CYS 61 ? 1_555 102.2 ? 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
5U6Z 2017-01-11 4 0000 'Initial release' 'Initial release' 
5U6Z 2017-01-25 4 0001 Citation          Citation          
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? SCALEPACK   ? ? ? .          1 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.8.1_1168 2 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.22       3 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? HKL-3000    ? ? ? .          4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? .          5 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O4 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   SO4 
_pdbx_validate_close_contact.auth_seq_id_1    102 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    201 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.19 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    OG1 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    THR 
_pdbx_validate_symm_contact.auth_seq_id_1     5 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OD1 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ASN 
_pdbx_validate_symm_contact.auth_seq_id_2     62 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   7_544 
_pdbx_validate_symm_contact.dist              1.94 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    PRO 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     15 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -49.33 
_pdbx_validate_torsion.psi             151.22 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ASN 2 ? CG  ? A ASN 2 CG  
2 1 Y 1 A ASN 2 ? OD1 ? A ASN 2 OD1 
3 1 Y 1 A ASN 2 ? ND2 ? A ASN 2 ND2 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A SER 1  ? A SER 1  
2 1 Y 1 A LYS 69 ? A LYS 69 
3 1 Y 1 A LYS 70 ? A LYS 70 
4 1 Y 1 A ALA 71 ? A ALA 71 
5 1 Y 1 A GLY 72 ? A GLY 72 
6 1 Y 1 A CYS 73 ? A CYS 73 
7 1 Y 1 A GLU 74 ? A GLU 74 
8 1 Y 1 A ASP 75 ? A ASP 75 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'ZINC ION'    ZN  
3 'SULFATE ION' SO4 
4 water         HOH 
# 
