data_1COI
# 
_entry.id   1COI 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.007 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
_database_2.database_id     PDB 
_database_2.database_code   1COI 
# 
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 1997-02-12 1996-08-10 ? 1COI 0 
2 2009-02-24 ?          ? 1COI 1 
3 2011-07-13 ?          ? 1COI 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 VERSN ? 
3 VERSN ? 
# 
_pdbx_database_status.status_code    REL 
_pdbx_database_status.entry_id       1COI 
_pdbx_database_status.deposit_site   ? 
_pdbx_database_status.process_site   ? 
_pdbx_database_status.SG_entry       . 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Ogihara, N.L.' 1 
'Weiss, M.S.'   2 
'Degrado, W.F.' 3 
'Eisenberg, D.' 4 
# 
_citation.id                        primary 
_citation.title                     
;The crystal structure of the designed trimeric coiled coil coil-VaLd: implications for engineering crystals and supramolecular assemblies.
;
_citation.journal_abbrev            'Protein Sci.' 
_citation.journal_volume            6 
_citation.page_first                80 
_citation.page_last                 88 
_citation.year                      1997 
_citation.journal_id_ASTM           PRCIEI 
_citation.country                   US 
_citation.journal_id_ISSN           0961-8368 
_citation.journal_id_CSD            0795 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   9007979 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Ogihara, N.L.' 1 
primary 'Weiss, M.S.'   2 
primary 'Degrado, W.F.' 3 
primary 'Eisenberg, D.' 4 
# 
_cell.entry_id           1COI 
_cell.length_a           33.600 
_cell.length_b           33.600 
_cell.length_c           40.530 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              6 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1COI 
_symmetry.space_group_name_H-M             'P 3 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.details 
1 polymer     man COIL-VALD     3206.740 1  ? 
2 non-polymer syn 'SULFATE ION' 96.058   1  ? 
3 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                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(ACE)EVEALEKKVAALESKVQALEKKVEALEHG(NH2)' 
_entity_poly.pdbx_seq_one_letter_code_can   XEVEALEKKVAALESKVQALEKKVEALEHGX 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ACE n 
1 2  GLU n 
1 3  VAL n 
1 4  GLU n 
1 5  ALA n 
1 6  LEU n 
1 7  GLU n 
1 8  LYS n 
1 9  LYS n 
1 10 VAL n 
1 11 ALA n 
1 12 ALA n 
1 13 LEU n 
1 14 GLU n 
1 15 SER n 
1 16 LYS n 
1 17 VAL n 
1 18 GLN n 
1 19 ALA n 
1 20 LEU n 
1 21 GLU n 
1 22 LYS n 
1 23 LYS n 
1 24 VAL n 
1 25 GLU n 
1 26 ALA n 
1 27 LEU n 
1 28 GLU n 
1 29 HIS n 
1 30 GLY n 
1 31 NH2 n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'synthetic construct' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     32630 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                  1 
_struct_ref.entity_id           1 
_struct_ref.db_name             PDB 
_struct_ref.db_code             1COI 
_struct_ref.pdbx_db_accession   1COI 
_struct_ref.biol_id             . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1COI 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 31 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             1COI 
_struct_ref_seq.db_align_beg                  0 
_struct_ref_seq.db_align_end                  30 
_struct_ref_seq.pdbx_auth_seq_align_beg       0 
_struct_ref_seq.pdbx_auth_seq_align_end       30 
# 
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 
ACE NON-POLYMER         . 'ACETYL GROUP'  ? 'C2 H4 O'        44.053  
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.130 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.147 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.094  
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.174 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.197 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.146 
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.164 
GLY 'PEPTIDE LINKING'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
NH2 NON-POLYMER         . 'AMINO GROUP'   ? 'H2 N'           16.022  
SO4 NON-POLYMER         . 'SULFATE ION'   ? 'O4 S -2'        96.058  
HOH NON-POLYMER         . WATER           ? 'H2 O'           18.015  
# 
_exptl.entry_id          1COI 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.06 
_exptl_crystal.density_percent_sol   40.2 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          ? 
_exptl_crystal_grow.temp            ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              5.5 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.pdbx_details    '3.0M AMMSO4, 0.05M KH2PO4, PH5.5, 3.5MM NAOH' 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           293 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'RIGAKU RAXIS IIC' 
_diffrn_detector.pdbx_collection_date   1994-05-12 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        'RIGAKU RUH2R' 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             1.5418 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     1COI 
_reflns.observed_criterion_sigma_I   0. 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             40.53 
_reflns.d_resolution_high            2.10 
_reflns.number_obs                   1710 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.7 
_reflns.pdbx_Rmerge_I_obs            0.0910000 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        31.36 
_reflns.B_iso_Wilson_estimate        17.7 
_reflns.pdbx_redundancy              21. 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             2.10 
_reflns_shell.d_res_low              2.18 
_reflns_shell.percent_possible_all   100. 
_reflns_shell.Rmerge_I_obs           0.2290000 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    ? 
_reflns_shell.pdbx_redundancy        ? 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_computing.entry_id                           1COI 
_computing.pdbx_data_reduction_ii             DENZO 
_computing.pdbx_data_reduction_ds             SCALEPACK 
_computing.data_collection                    ? 
_computing.structure_solution                 'X-PLOR 3.1' 
_computing.structure_refinement               'X-PLOR 3.1' 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               1COI 
_refine.ls_number_reflns_obs                   1691 
_refine.ls_number_reflns_all                   ? 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        0. 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           10.0 
_refine.ls_d_res_high                          2.1 
_refine.ls_percent_reflns_obs                  99.95 
_refine.ls_R_factor_obs                        0.2140000 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_R_work                     0.2140000 
_refine.ls_R_factor_R_free                     0.2850000 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               10. 
_refine.ls_number_reflns_R_free                166 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.B_iso_mean                             18.6 
_refine.aniso_B[1][1]                          ? 
_refine.aniso_B[2][2]                          ? 
_refine.aniso_B[3][3]                          ? 
_refine.aniso_B[1][2]                          ? 
_refine.aniso_B[1][3]                          ? 
_refine.aniso_B[2][3]                          ? 
_refine.solvent_model_details                  ? 
_refine.solvent_model_param_ksol               ? 
_refine.solvent_model_param_bsol               ? 
_refine.pdbx_ls_cross_valid_method             ? 
_refine.details                                ? 
_refine.pdbx_starting_model                    'IDEAL ALPHA-HELIX' 
_refine.pdbx_method_to_determine_struct        'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.pdbx_stereochemistry_target_values     ? 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          ? 
_refine.pdbx_overall_ESU_R                     ? 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
# 
_refine_analyze.entry_id                        1COI 
_refine_analyze.Luzzati_coordinate_error_obs    0.25 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        226 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_refine_hist.number_atoms_solvent             18 
_refine_hist.number_atoms_total               249 
_refine_hist.d_res_high                       2.1 
_refine_hist.d_res_low                        10.0 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
x_bond_d                0.013 ? ? ? 'X-RAY DIFFRACTION' 
x_bond_d_na             ?     ? ? ? 'X-RAY DIFFRACTION' 
x_bond_d_prot           ?     ? ? ? 'X-RAY DIFFRACTION' 
x_angle_d               ?     ? ? ? 'X-RAY DIFFRACTION' 
x_angle_d_na            ?     ? ? ? 'X-RAY DIFFRACTION' 
x_angle_d_prot          ?     ? ? ? 'X-RAY DIFFRACTION' 
x_angle_deg             1.4   ? ? ? 'X-RAY DIFFRACTION' 
x_angle_deg_na          ?     ? ? ? 'X-RAY DIFFRACTION' 
x_angle_deg_prot        ?     ? ? ? 'X-RAY DIFFRACTION' 
x_dihedral_angle_d      17.0  ? ? ? 'X-RAY DIFFRACTION' 
x_dihedral_angle_d_na   ?     ? ? ? 'X-RAY DIFFRACTION' 
x_dihedral_angle_d_prot ?     ? ? ? 'X-RAY DIFFRACTION' 
x_improper_angle_d      1.7   ? ? ? 'X-RAY DIFFRACTION' 
x_improper_angle_d_na   ?     ? ? ? 'X-RAY DIFFRACTION' 
x_improper_angle_d_prot ?     ? ? ? 'X-RAY DIFFRACTION' 
x_mcbond_it             ?     ? ? ? 'X-RAY DIFFRACTION' 
x_mcangle_it            ?     ? ? ? 'X-RAY DIFFRACTION' 
x_scbond_it             ?     ? ? ? 'X-RAY DIFFRACTION' 
x_scangle_it            ?     ? ? ? 'X-RAY DIFFRACTION' 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   ? 
_refine_ls_shell.d_res_high                       2.10 
_refine_ls_shell.d_res_low                        2.18 
_refine_ls_shell.number_reflns_R_work             153 
_refine_ls_shell.R_factor_R_work                  0.2402000 
_refine_ls_shell.percent_reflns_obs               100. 
_refine_ls_shell.R_factor_R_free                  0.2990000 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            9.69 
_refine_ls_shell.number_reflns_R_free             12 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  1COI 
_struct.title                     'DESIGNED TRIMERIC COILED COIL-VALD' 
_struct.pdbx_descriptor           COIL-VALD 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1COI 
_struct_keywords.pdbx_keywords   'ALPHA-HELICAL BUNDLE' 
_struct_keywords.text            'ALPHA-HELICAL BUNDLE, PROTEIN DESIGN, COILED COIL DESIGN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_biol.id   1 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       1 
_struct_conf.beg_label_comp_id       VAL 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        3 
_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        27 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        VAL 
_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         26 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   25 
# 
_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_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 
covale1 covale ? A ACE 1  C ? ? ? 1_555 A GLU 2  N ? ? A ACE 0  A GLU 1  1_555 ? ? ? ? ? ? ? 1.332 ? 
covale2 covale ? A NH2 31 N ? ? ? 1_555 A GLY 30 C ? ? A NH2 30 A GLY 29 1_555 ? ? ? ? ? ? ? 1.338 ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_site.id                   AC1 
_struct_site.details              'BINDING SITE FOR RESIDUE SO4 A 31' 
_struct_site.pdbx_evidence_code   SOFTWARE 
# 
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 LYS A 23 ? LYS A 22 . . 3_665 ? 
2 AC1 4 LYS A 23 ? LYS A 22 . . 5_667 ? 
3 AC1 4 HIS A 29 ? HIS A 28 . . 1_555 ? 
4 AC1 4 HIS A 29 ? HIS A 28 . . 6_767 ? 
# 
_database_PDB_matrix.entry_id          1COI 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    1COI 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.029762 
_atom_sites.fract_transf_matrix[1][2]   0.017183 
_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]   0.034366 
_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]   0.024673 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
O 
N 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.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   C C   . ACE A 1 1  ? 9.793  5.734  10.070 1.00 13.06 ? ? ? ? ? ? 0  ACE A C   1 
ATOM   2   O O   . ACE A 1 1  ? 9.256  6.100  11.109 1.00 12.43 ? ? ? ? ? ? 0  ACE A O   1 
ATOM   3   C CH3 . ACE A 1 1  ? 9.011  5.751  8.772  1.00 14.54 ? ? ? ? ? ? 0  ACE A CH3 1 
ATOM   4   N N   . GLU A 1 2  ? 11.043 5.279  10.005 1.00 13.37 ? ? ? ? ? ? 1  GLU A N   1 
ATOM   5   C CA  . GLU A 1 2  ? 11.916 5.207  11.174 1.00 14.46 ? ? ? ? ? ? 1  GLU A CA  1 
ATOM   6   C C   . GLU A 1 2  ? 12.154 6.536  11.832 1.00 13.66 ? ? ? ? ? ? 1  GLU A C   1 
ATOM   7   O O   . GLU A 1 2  ? 12.286 6.592  13.049 1.00 13.46 ? ? ? ? ? ? 1  GLU A O   1 
ATOM   8   C CB  . GLU A 1 2  ? 13.287 4.627  10.835 1.00 16.38 ? ? ? ? ? ? 1  GLU A CB  1 
ATOM   9   C CG  . GLU A 1 2  ? 13.283 3.149  10.595 1.00 22.96 ? ? ? ? ? ? 1  GLU A CG  1 
ATOM   10  C CD  . GLU A 1 2  ? 14.641 2.624  10.185 1.00 26.33 ? ? ? ? ? ? 1  GLU A CD  1 
ATOM   11  O OE1 . GLU A 1 2  ? 15.597 2.814  10.970 1.00 26.66 ? ? ? ? ? ? 1  GLU A OE1 1 
ATOM   12  O OE2 . GLU A 1 2  ? 14.742 2.026  9.080  1.00 28.89 ? ? ? ? ? ? 1  GLU A OE2 1 
ATOM   13  N N   . VAL A 1 3  ? 12.314 7.592  11.042 1.00 11.57 ? ? ? ? ? ? 2  VAL A N   1 
ATOM   14  C CA  . VAL A 1 3  ? 12.560 8.879  11.668 1.00 11.08 ? ? ? ? ? ? 2  VAL A CA  1 
ATOM   15  C C   . VAL A 1 3  ? 11.393 9.351  12.532 1.00 12.02 ? ? ? ? ? ? 2  VAL A C   1 
ATOM   16  O O   . VAL A 1 3  ? 11.605 9.727  13.674 1.00 14.12 ? ? ? ? ? ? 2  VAL A O   1 
ATOM   17  C CB  . VAL A 1 3  ? 13.034 9.927  10.662 1.00 8.68  ? ? ? ? ? ? 2  VAL A CB  1 
ATOM   18  C CG1 . VAL A 1 3  ? 13.403 11.195 11.353 1.00 3.99  ? ? ? ? ? ? 2  VAL A CG1 1 
ATOM   19  C CG2 . VAL A 1 3  ? 14.264 9.400  9.973  1.00 10.25 ? ? ? ? ? ? 2  VAL A CG2 1 
ATOM   20  N N   . GLU A 1 4  ? 10.164 9.258  12.038 1.00 12.55 ? ? ? ? ? ? 3  GLU A N   1 
ATOM   21  C CA  . GLU A 1 4  ? 9.009  9.675  12.815 1.00 12.74 ? ? ? ? ? ? 3  GLU A CA  1 
ATOM   22  C C   . GLU A 1 4  ? 8.919  8.854  14.101 1.00 12.24 ? ? ? ? ? ? 3  GLU A C   1 
ATOM   23  O O   . GLU A 1 4  ? 8.545  9.378  15.158 1.00 13.46 ? ? ? ? ? ? 3  GLU A O   1 
ATOM   24  C CB  . GLU A 1 4  ? 7.711  9.515  12.024 1.00 14.21 ? ? ? ? ? ? 3  GLU A CB  1 
ATOM   25  C CG  . GLU A 1 4  ? 6.488  9.694  12.924 1.00 20.90 ? ? ? ? ? ? 3  GLU A CG  1 
ATOM   26  C CD  . GLU A 1 4  ? 5.143  9.625  12.217 1.00 25.98 ? ? ? ? ? ? 3  GLU A CD  1 
ATOM   27  O OE1 . GLU A 1 4  ? 5.071  9.547  10.976 1.00 29.43 ? ? ? ? ? ? 3  GLU A OE1 1 
ATOM   28  O OE2 . GLU A 1 4  ? 4.131  9.683  12.941 1.00 29.51 ? ? ? ? ? ? 3  GLU A OE2 1 
ATOM   29  N N   . ALA A 1 5  ? 9.240  7.567  14.001 1.00 10.11 ? ? ? ? ? ? 4  ALA A N   1 
ATOM   30  C CA  . ALA A 1 5  ? 9.205  6.693  15.151 1.00 9.44  ? ? ? ? ? ? 4  ALA A CA  1 
ATOM   31  C C   . ALA A 1 5  ? 10.251 7.151  16.151 1.00 9.46  ? ? ? ? ? ? 4  ALA A C   1 
ATOM   32  O O   . ALA A 1 5  ? 9.982  7.221  17.331 1.00 10.08 ? ? ? ? ? ? 4  ALA A O   1 
ATOM   33  C CB  . ALA A 1 5  ? 9.436  5.243  14.737 1.00 8.96  ? ? ? ? ? ? 4  ALA A CB  1 
ATOM   34  N N   . LEU A 1 6  ? 11.437 7.501  15.686 1.00 9.60  ? ? ? ? ? ? 5  LEU A N   1 
ATOM   35  C CA  . LEU A 1 6  ? 12.463 7.986  16.599 1.00 9.99  ? ? ? ? ? ? 5  LEU A CA  1 
ATOM   36  C C   . LEU A 1 6  ? 12.037 9.273  17.260 1.00 10.39 ? ? ? ? ? ? 5  LEU A C   1 
ATOM   37  O O   . LEU A 1 6  ? 12.400 9.523  18.415 1.00 10.54 ? ? ? ? ? ? 5  LEU A O   1 
ATOM   38  C CB  . LEU A 1 6  ? 13.757 8.260  15.872 1.00 9.62  ? ? ? ? ? ? 5  LEU A CB  1 
ATOM   39  C CG  . LEU A 1 6  ? 14.627 7.037  15.708 1.00 12.10 ? ? ? ? ? ? 5  LEU A CG  1 
ATOM   40  C CD1 . LEU A 1 6  ? 15.787 7.400  14.779 1.00 13.15 ? ? ? ? ? ? 5  LEU A CD1 1 
ATOM   41  C CD2 . LEU A 1 6  ? 15.135 6.608  17.068 1.00 10.73 ? ? ? ? ? ? 5  LEU A CD2 1 
ATOM   42  N N   . GLU A 1 7  ? 11.314 10.105 16.513 1.00 10.49 ? ? ? ? ? ? 6  GLU A N   1 
ATOM   43  C CA  . GLU A 1 7  ? 10.838 11.388 17.028 1.00 10.56 ? ? ? ? ? ? 6  GLU A CA  1 
ATOM   44  C C   . GLU A 1 7  ? 9.940  11.186 18.240 1.00 9.99  ? ? ? ? ? ? 6  GLU A C   1 
ATOM   45  O O   . GLU A 1 7  ? 10.048 11.913 19.224 1.00 9.04  ? ? ? ? ? ? 6  GLU A O   1 
ATOM   46  C CB  . GLU A 1 7  ? 10.080 12.168 15.956 1.00 12.85 ? ? ? ? ? ? 6  GLU A CB  1 
ATOM   47  C CG  . GLU A 1 7  ? 10.968 12.654 14.818 1.00 21.64 ? ? ? ? ? ? 6  GLU A CG  1 
ATOM   48  C CD  . GLU A 1 7  ? 11.657 14.000 15.075 1.00 28.55 ? ? ? ? ? ? 6  GLU A CD  1 
ATOM   49  O OE1 . GLU A 1 7  ? 11.996 14.337 16.231 1.00 29.97 ? ? ? ? ? ? 6  GLU A OE1 1 
ATOM   50  O OE2 . GLU A 1 7  ? 11.858 14.726 14.078 1.00 30.96 ? ? ? ? ? ? 6  GLU A OE2 1 
ATOM   51  N N   . LYS A 1 8  ? 9.022  10.229 18.140 1.00 8.99  ? ? ? ? ? ? 7  LYS A N   1 
ATOM   52  C CA  . LYS A 1 8  ? 8.117  9.925  19.240 1.00 8.19  ? ? ? ? ? ? 7  LYS A CA  1 
ATOM   53  C C   . LYS A 1 8  ? 8.841  9.371  20.457 1.00 7.26  ? ? ? ? ? ? 7  LYS A C   1 
ATOM   54  O O   . LYS A 1 8  ? 8.526  9.748  21.564 1.00 7.65  ? ? ? ? ? ? 7  LYS A O   1 
ATOM   55  C CB  . LYS A 1 8  ? 7.013  8.978  18.779 1.00 9.15  ? ? ? ? ? ? 7  LYS A CB  1 
ATOM   56  C CG  . LYS A 1 8  ? 6.025  9.684  17.873 1.00 14.92 ? ? ? ? ? ? 7  LYS A CG  1 
ATOM   57  C CD  . LYS A 1 8  ? 5.341  8.743  16.907 1.00 20.68 ? ? ? ? ? ? 7  LYS A CD  1 
ATOM   58  C CE  . LYS A 1 8  ? 4.364  7.847  17.602 1.00 26.31 ? ? ? ? ? ? 7  LYS A CE  1 
ATOM   59  N NZ  . LYS A 1 8  ? 3.734  6.936  16.600 1.00 30.82 ? ? ? ? ? ? 7  LYS A NZ  1 
ATOM   60  N N   . LYS A 1 9  ? 9.814  8.497  20.242 1.00 7.08  ? ? ? ? ? ? 8  LYS A N   1 
ATOM   61  C CA  . LYS A 1 9  ? 10.589 7.914  21.332 1.00 6.29  ? ? ? ? ? ? 8  LYS A CA  1 
ATOM   62  C C   . LYS A 1 9  ? 11.411 8.974  22.012 1.00 5.76  ? ? ? ? ? ? 8  LYS A C   1 
ATOM   63  O O   . LYS A 1 9  ? 11.620 8.918  23.207 1.00 7.65  ? ? ? ? ? ? 8  LYS A O   1 
ATOM   64  C CB  . LYS A 1 9  ? 11.561 6.857  20.822 1.00 6.71  ? ? ? ? ? ? 8  LYS A CB  1 
ATOM   65  C CG  . LYS A 1 9  ? 10.940 5.558  20.441 1.00 10.40 ? ? ? ? ? ? 8  LYS A CG  1 
ATOM   66  C CD  . LYS A 1 9  ? 12.031 4.627  19.954 1.00 16.71 ? ? ? ? ? ? 8  LYS A CD  1 
ATOM   67  C CE  . LYS A 1 9  ? 11.472 3.297  19.461 1.00 22.84 ? ? ? ? ? ? 8  LYS A CE  1 
ATOM   68  N NZ  . LYS A 1 9  ? 12.114 2.865  18.167 1.00 29.90 ? ? ? ? ? ? 8  LYS A NZ  1 
ATOM   69  N N   . VAL A 1 10 ? 11.992 9.869  21.233 1.00 5.06  ? ? ? ? ? ? 9  VAL A N   1 
ATOM   70  C CA  . VAL A 1 10 ? 12.796 10.924 21.804 1.00 4.93  ? ? ? ? ? ? 9  VAL A CA  1 
ATOM   71  C C   . VAL A 1 10 ? 11.974 11.937 22.598 1.00 7.15  ? ? ? ? ? ? 9  VAL A C   1 
ATOM   72  O O   . VAL A 1 10 ? 12.412 12.372 23.673 1.00 7.55  ? ? ? ? ? ? 9  VAL A O   1 
ATOM   73  C CB  . VAL A 1 10 ? 13.667 11.611 20.738 1.00 3.93  ? ? ? ? ? ? 9  VAL A CB  1 
ATOM   74  C CG1 . VAL A 1 10 ? 14.342 12.854 21.300 1.00 2.52  ? ? ? ? ? ? 9  VAL A CG1 1 
ATOM   75  C CG2 . VAL A 1 10 ? 14.727 10.636 20.268 1.00 5.06  ? ? ? ? ? ? 9  VAL A CG2 1 
ATOM   76  N N   . ALA A 1 11 ? 10.789 12.294 22.101 1.00 6.28  ? ? ? ? ? ? 10 ALA A N   1 
ATOM   77  C CA  . ALA A 1 11 ? 9.917  13.243 22.797 1.00 5.61  ? ? ? ? ? ? 10 ALA A CA  1 
ATOM   78  C C   . ALA A 1 11 ? 9.456  12.636 24.151 1.00 5.46  ? ? ? ? ? ? 10 ALA A C   1 
ATOM   79  O O   . ALA A 1 11 ? 9.310  13.341 25.145 1.00 4.00  ? ? ? ? ? ? 10 ALA A O   1 
ATOM   80  C CB  . ALA A 1 11 ? 8.697  13.584 21.915 1.00 4.93  ? ? ? ? ? ? 10 ALA A CB  1 
ATOM   81  N N   . ALA A 1 12 ? 9.162  11.337 24.157 1.00 5.59  ? ? ? ? ? ? 11 ALA A N   1 
ATOM   82  C CA  . ALA A 1 12 ? 8.749  10.630 25.375 1.00 6.17  ? ? ? ? ? ? 11 ALA A CA  1 
ATOM   83  C C   . ALA A 1 12 ? 9.897  10.650 26.385 1.00 6.89  ? ? ? ? ? ? 11 ALA A C   1 
ATOM   84  O O   . ALA A 1 12 ? 9.694  10.957 27.557 1.00 8.22  ? ? ? ? ? ? 11 ALA A O   1 
ATOM   85  C CB  . ALA A 1 12 ? 8.374  9.210  25.049 1.00 3.61  ? ? ? ? ? ? 11 ALA A CB  1 
ATOM   86  N N   . LEU A 1 13 ? 11.107 10.335 25.923 1.00 7.80  ? ? ? ? ? ? 12 LEU A N   1 
ATOM   87  C CA  . LEU A 1 13 ? 12.266 10.341 26.795 1.00 7.21  ? ? ? ? ? ? 12 LEU A CA  1 
ATOM   88  C C   . LEU A 1 13 ? 12.495 11.713 27.387 1.00 8.48  ? ? ? ? ? ? 12 LEU A C   1 
ATOM   89  O O   . LEU A 1 13 ? 12.784 11.813 28.566 1.00 9.28  ? ? ? ? ? ? 12 LEU A O   1 
ATOM   90  C CB  . LEU A 1 13 ? 13.517 9.886  26.061 1.00 6.05  ? ? ? ? ? ? 12 LEU A CB  1 
ATOM   91  C CG  . LEU A 1 13 ? 13.655 8.384  25.851 1.00 6.67  ? ? ? ? ? ? 12 LEU A CG  1 
ATOM   92  C CD1 . LEU A 1 13 ? 14.822 8.118  24.913 1.00 7.40  ? ? ? ? ? ? 12 LEU A CD1 1 
ATOM   93  C CD2 . LEU A 1 13 ? 13.872 7.661  27.189 1.00 7.45  ? ? ? ? ? ? 12 LEU A CD2 1 
ATOM   94  N N   . GLU A 1 14 ? 12.413 12.772 26.593 1.00 9.54  ? ? ? ? ? ? 13 GLU A N   1 
ATOM   95  C CA  . GLU A 1 14 ? 12.617 14.108 27.133 1.00 10.88 ? ? ? ? ? ? 13 GLU A CA  1 
ATOM   96  C C   . GLU A 1 14 ? 11.626 14.415 28.242 1.00 11.51 ? ? ? ? ? ? 13 GLU A C   1 
ATOM   97  O O   . GLU A 1 14 ? 11.968 15.043 29.233 1.00 11.23 ? ? ? ? ? ? 13 GLU A O   1 
ATOM   98  C CB  . GLU A 1 14 ? 12.470 15.147 26.041 1.00 15.06 ? ? ? ? ? ? 13 GLU A CB  1 
ATOM   99  C CG  . GLU A 1 14 ? 13.587 15.069 25.031 1.00 20.55 ? ? ? ? ? ? 13 GLU A CG  1 
ATOM   100 C CD  . GLU A 1 14 ? 13.421 16.057 23.907 1.00 26.48 ? ? ? ? ? ? 13 GLU A CD  1 
ATOM   101 O OE1 . GLU A 1 14 ? 12.301 16.580 23.740 1.00 30.17 ? ? ? ? ? ? 13 GLU A OE1 1 
ATOM   102 O OE2 . GLU A 1 14 ? 14.408 16.312 23.188 1.00 28.21 ? ? ? ? ? ? 13 GLU A OE2 1 
ATOM   103 N N   . SER A 1 15 ? 10.392 13.969 28.060 1.00 11.02 ? ? ? ? ? ? 14 SER A N   1 
ATOM   104 C CA  . SER A 1 15 ? 9.341  14.180 29.041 1.00 11.73 ? ? ? ? ? ? 14 SER A CA  1 
ATOM   105 C C   . SER A 1 15 ? 9.661  13.435 30.356 1.00 11.19 ? ? ? ? ? ? 14 SER A C   1 
ATOM   106 O O   . SER A 1 15 ? 9.595  14.008 31.440 1.00 10.85 ? ? ? ? ? ? 14 SER A O   1 
ATOM   107 C CB  . SER A 1 15 ? 8.017  13.702 28.439 1.00 14.17 ? ? ? ? ? ? 14 SER A CB  1 
ATOM   108 O OG  . SER A 1 15 ? 6.899  14.037 29.241 1.00 18.34 ? ? ? ? ? ? 14 SER A OG  1 
ATOM   109 N N   . LYS A 1 16 ? 10.072 12.173 30.235 1.00 10.65 ? ? ? ? ? ? 15 LYS A N   1 
ATOM   110 C CA  . LYS A 1 16 ? 10.420 11.349 31.384 1.00 9.79  ? ? ? ? ? ? 15 LYS A CA  1 
ATOM   111 C C   . LYS A 1 16 ? 11.656 11.868 32.112 1.00 9.20  ? ? ? ? ? ? 15 LYS A C   1 
ATOM   112 O O   . LYS A 1 16 ? 11.750 11.789 33.323 1.00 9.72  ? ? ? ? ? ? 15 LYS A O   1 
ATOM   113 C CB  . LYS A 1 16 ? 10.687 9.913  30.936 1.00 10.59 ? ? ? ? ? ? 15 LYS A CB  1 
ATOM   114 C CG  . LYS A 1 16 ? 9.472  9.190  30.394 1.00 14.73 ? ? ? ? ? ? 15 LYS A CG  1 
ATOM   115 C CD  . LYS A 1 16 ? 9.814  7.736  30.095 1.00 21.22 ? ? ? ? ? ? 15 LYS A CD  1 
ATOM   116 C CE  . LYS A 1 16 ? 8.617  6.974  29.534 1.00 26.02 ? ? ? ? ? ? 15 LYS A CE  1 
ATOM   117 N NZ  . LYS A 1 16 ? 7.457  6.955  30.497 1.00 31.98 ? ? ? ? ? ? 15 LYS A NZ  1 
ATOM   118 N N   . VAL A 1 17 ? 12.646 12.310 31.358 1.00 8.35  ? ? ? ? ? ? 16 VAL A N   1 
ATOM   119 C CA  . VAL A 1 17 ? 13.860 12.814 31.947 1.00 9.28  ? ? ? ? ? ? 16 VAL A CA  1 
ATOM   120 C C   . VAL A 1 17 ? 13.624 14.133 32.677 1.00 10.45 ? ? ? ? ? ? 16 VAL A C   1 
ATOM   121 O O   . VAL A 1 17 ? 14.203 14.352 33.733 1.00 10.73 ? ? ? ? ? ? 16 VAL A O   1 
ATOM   122 C CB  . VAL A 1 17 ? 15.019 12.857 30.894 1.00 9.62  ? ? ? ? ? ? 16 VAL A CB  1 
ATOM   123 C CG1 . VAL A 1 17 ? 16.230 13.629 31.401 1.00 9.81  ? ? ? ? ? ? 16 VAL A CG1 1 
ATOM   124 C CG2 . VAL A 1 17 ? 15.456 11.411 30.564 1.00 7.26  ? ? ? ? ? ? 16 VAL A CG2 1 
ATOM   125 N N   . GLN A 1 18 ? 12.757 14.987 32.157 1.00 11.15 ? ? ? ? ? ? 17 GLN A N   1 
ATOM   126 C CA  . GLN A 1 18 ? 12.479 16.245 32.840 1.00 14.16 ? ? ? ? ? ? 17 GLN A CA  1 
ATOM   127 C C   . GLN A 1 18 ? 11.754 15.934 34.154 1.00 13.73 ? ? ? ? ? ? 17 GLN A C   1 
ATOM   128 O O   . GLN A 1 18 ? 12.028 16.537 35.177 1.00 14.67 ? ? ? ? ? ? 17 GLN A O   1 
ATOM   129 C CB  . GLN A 1 18 ? 11.650 17.214 31.964 1.00 18.75 ? ? ? ? ? ? 17 GLN A CB  1 
ATOM   130 C CG  . GLN A 1 18 ? 11.135 18.494 32.725 1.00 28.62 ? ? ? ? ? ? 17 GLN A CG  1 
ATOM   131 C CD  . GLN A 1 18 ? 10.599 19.652 31.818 1.00 35.04 ? ? ? ? ? ? 17 GLN A CD  1 
ATOM   132 O OE1 . GLN A 1 18 ? 10.546 19.536 30.583 1.00 38.56 ? ? ? ? ? ? 17 GLN A OE1 1 
ATOM   133 N NE2 . GLN A 1 18 ? 10.231 20.784 32.444 1.00 35.39 ? ? ? ? ? ? 17 GLN A NE2 1 
ATOM   134 N N   . ALA A 1 19 ? 10.831 14.986 34.146 1.00 12.80 ? ? ? ? ? ? 18 ALA A N   1 
ATOM   135 C CA  . ALA A 1 19 ? 10.136 14.656 35.385 1.00 12.17 ? ? ? ? ? ? 18 ALA A CA  1 
ATOM   136 C C   . ALA A 1 19 ? 11.136 14.036 36.399 1.00 12.90 ? ? ? ? ? ? 18 ALA A C   1 
ATOM   137 O O   . ALA A 1 19 ? 11.195 14.448 37.556 1.00 13.45 ? ? ? ? ? ? 18 ALA A O   1 
ATOM   138 C CB  . ALA A 1 19 ? 8.951  13.728 35.109 1.00 11.28 ? ? ? ? ? ? 18 ALA A CB  1 
ATOM   139 N N   . LEU A 1 20 ? 11.974 13.102 35.948 1.00 11.83 ? ? ? ? ? ? 19 LEU A N   1 
ATOM   140 C CA  . LEU A 1 20 ? 12.961 12.484 36.819 1.00 10.59 ? ? ? ? ? ? 19 LEU A CA  1 
ATOM   141 C C   . LEU A 1 20 ? 13.881 13.504 37.423 1.00 11.23 ? ? ? ? ? ? 19 LEU A C   1 
ATOM   142 O O   . LEU A 1 20 ? 14.218 13.383 38.579 1.00 12.94 ? ? ? ? ? ? 19 LEU A O   1 
ATOM   143 C CB  . LEU A 1 20 ? 13.825 11.515 36.051 1.00 9.95  ? ? ? ? ? ? 19 LEU A CB  1 
ATOM   144 C CG  . LEU A 1 20 ? 13.311 10.102 36.093 1.00 14.78 ? ? ? ? ? ? 19 LEU A CG  1 
ATOM   145 C CD1 . LEU A 1 20 ? 14.091 9.237  35.112 1.00 17.45 ? ? ? ? ? ? 19 LEU A CD1 1 
ATOM   146 C CD2 . LEU A 1 20 ? 13.460 9.595  37.503 1.00 13.83 ? ? ? ? ? ? 19 LEU A CD2 1 
ATOM   147 N N   . GLU A 1 21 ? 14.368 14.442 36.614 1.00 11.43 ? ? ? ? ? ? 20 GLU A N   1 
ATOM   148 C CA  . GLU A 1 21 ? 15.270 15.483 37.080 1.00 12.34 ? ? ? ? ? ? 20 GLU A CA  1 
ATOM   149 C C   . GLU A 1 21 ? 14.669 16.233 38.277 1.00 12.97 ? ? ? ? ? ? 20 GLU A C   1 
ATOM   150 O O   . GLU A 1 21 ? 15.353 16.518 39.251 1.00 12.29 ? ? ? ? ? ? 20 GLU A O   1 
ATOM   151 C CB  . GLU A 1 21 ? 15.546 16.465 35.947 1.00 15.36 ? ? ? ? ? ? 20 GLU A CB  1 
ATOM   152 C CG  . GLU A 1 21 ? 16.989 16.937 35.819 1.00 24.24 ? ? ? ? ? ? 20 GLU A CG  1 
ATOM   153 C CD  . GLU A 1 21 ? 17.360 17.462 34.396 1.00 32.18 ? ? ? ? ? ? 20 GLU A CD  1 
ATOM   154 O OE1 . GLU A 1 21 ? 16.482 17.971 33.662 1.00 33.96 ? ? ? ? ? ? 20 GLU A OE1 1 
ATOM   155 O OE2 . GLU A 1 21 ? 18.554 17.389 34.011 1.00 36.90 ? ? ? ? ? ? 20 GLU A OE2 1 
ATOM   156 N N   . LYS A 1 22 ? 13.382 16.546 38.196 1.00 12.99 ? ? ? ? ? ? 21 LYS A N   1 
ATOM   157 C CA  . LYS A 1 22 ? 12.689 17.282 39.259 1.00 13.03 ? ? ? ? ? ? 21 LYS A CA  1 
ATOM   158 C C   . LYS A 1 22 ? 12.447 16.446 40.508 1.00 11.65 ? ? ? ? ? ? 21 LYS A C   1 
ATOM   159 O O   . LYS A 1 22 ? 12.580 16.956 41.630 1.00 10.74 ? ? ? ? ? ? 21 LYS A O   1 
ATOM   160 C CB  . LYS A 1 22 ? 11.365 17.853 38.746 1.00 14.10 ? ? ? ? ? ? 21 LYS A CB  1 
ATOM   161 C CG  . LYS A 1 22 ? 11.512 18.977 37.716 1.00 16.87 ? ? ? ? ? ? 21 LYS A CG  1 
ATOM   162 C CD  . LYS A 1 22 ? 12.117 20.245 38.307 1.00 20.53 ? ? ? ? ? ? 21 LYS A CD  1 
ATOM   163 C CE  . LYS A 1 22 ? 12.120 21.393 37.294 1.00 23.98 ? ? ? ? ? ? 21 LYS A CE  1 
ATOM   164 N NZ  . LYS A 1 22 ? 12.605 22.651 37.949 1.00 27.61 ? ? ? ? ? ? 21 LYS A NZ  1 
ATOM   165 N N   . LYS A 1 23 ? 12.107 15.172 40.296 1.00 11.87 ? ? ? ? ? ? 22 LYS A N   1 
ATOM   166 C CA  . LYS A 1 23 ? 11.875 14.244 41.390 1.00 12.86 ? ? ? ? ? ? 22 LYS A CA  1 
ATOM   167 C C   . LYS A 1 23 ? 13.141 14.181 42.218 1.00 12.92 ? ? ? ? ? ? 22 LYS A C   1 
ATOM   168 O O   . LYS A 1 23 ? 13.108 14.348 43.423 1.00 13.93 ? ? ? ? ? ? 22 LYS A O   1 
ATOM   169 C CB  . LYS A 1 23 ? 11.536 12.831 40.880 1.00 13.28 ? ? ? ? ? ? 22 LYS A CB  1 
ATOM   170 C CG  . LYS A 1 23 ? 10.070 12.634 40.459 1.00 18.62 ? ? ? ? ? ? 22 LYS A CG  1 
ATOM   171 C CD  . LYS A 1 23 ? 9.643  11.155 40.341 1.00 20.59 ? ? ? ? ? ? 22 LYS A CD  1 
ATOM   172 C CE  . LYS A 1 23 ? 9.449  10.474 41.735 1.00 23.79 ? ? ? ? ? ? 22 LYS A CE  1 
ATOM   173 N NZ  . LYS A 1 23 ? 9.074  9.003  41.748 1.00 24.30 ? ? ? ? ? ? 22 LYS A NZ  1 
ATOM   174 N N   . VAL A 1 24 ? 14.262 13.908 41.570 1.00 12.48 ? ? ? ? ? ? 23 VAL A N   1 
ATOM   175 C CA  . VAL A 1 24 ? 15.536 13.816 42.264 1.00 11.20 ? ? ? ? ? ? 23 VAL A CA  1 
ATOM   176 C C   . VAL A 1 24 ? 15.951 15.133 42.907 1.00 12.82 ? ? ? ? ? ? 23 VAL A C   1 
ATOM   177 O O   . VAL A 1 24 ? 16.480 15.122 44.017 1.00 13.71 ? ? ? ? ? ? 23 VAL A O   1 
ATOM   178 C CB  . VAL A 1 24 ? 16.626 13.277 41.338 1.00 10.62 ? ? ? ? ? ? 23 VAL A CB  1 
ATOM   179 C CG1 . VAL A 1 24 ? 18.026 13.377 41.964 1.00 9.94  ? ? ? ? ? ? 23 VAL A CG1 1 
ATOM   180 C CG2 . VAL A 1 24 ? 16.306 11.836 41.012 1.00 11.67 ? ? ? ? ? ? 23 VAL A CG2 1 
ATOM   181 N N   . GLU A 1 25 ? 15.661 16.257 42.256 1.00 12.50 ? ? ? ? ? ? 24 GLU A N   1 
ATOM   182 C CA  . GLU A 1 25 ? 15.993 17.577 42.788 1.00 12.05 ? ? ? ? ? ? 24 GLU A CA  1 
ATOM   183 C C   . GLU A 1 25 ? 15.385 17.760 44.209 1.00 12.45 ? ? ? ? ? ? 24 GLU A C   1 
ATOM   184 O O   . GLU A 1 25 ? 15.961 18.427 45.073 1.00 10.60 ? ? ? ? ? ? 24 GLU A O   1 
ATOM   185 C CB  . GLU A 1 25 ? 15.415 18.626 41.855 1.00 14.07 ? ? ? ? ? ? 24 GLU A CB  1 
ATOM   186 C CG  . GLU A 1 25 ? 16.275 19.837 41.652 1.00 21.06 ? ? ? ? ? ? 24 GLU A CG  1 
ATOM   187 C CD  . GLU A 1 25 ? 15.775 20.730 40.527 1.00 25.19 ? ? ? ? ? ? 24 GLU A CD  1 
ATOM   188 O OE1 . GLU A 1 25 ? 16.126 20.508 39.335 1.00 26.44 ? ? ? ? ? ? 24 GLU A OE1 1 
ATOM   189 O OE2 . GLU A 1 25 ? 15.018 21.669 40.855 1.00 27.61 ? ? ? ? ? ? 24 GLU A OE2 1 
ATOM   190 N N   . ALA A 1 26 ? 14.191 17.211 44.421 1.00 11.67 ? ? ? ? ? ? 25 ALA A N   1 
ATOM   191 C CA  . ALA A 1 26 ? 13.539 17.291 45.713 1.00 12.62 ? ? ? ? ? ? 25 ALA A CA  1 
ATOM   192 C C   . ALA A 1 26 ? 14.343 16.502 46.761 1.00 13.80 ? ? ? ? ? ? 25 ALA A C   1 
ATOM   193 O O   . ALA A 1 26 ? 14.340 16.840 47.944 1.00 13.91 ? ? ? ? ? ? 25 ALA A O   1 
ATOM   194 C CB  . ALA A 1 26 ? 12.134 16.728 45.618 1.00 10.90 ? ? ? ? ? ? 25 ALA A CB  1 
ATOM   195 N N   . LEU A 1 27 ? 15.011 15.437 46.326 1.00 14.93 ? ? ? ? ? ? 26 LEU A N   1 
ATOM   196 C CA  . LEU A 1 27 ? 15.781 14.602 47.236 1.00 15.99 ? ? ? ? ? ? 26 LEU A CA  1 
ATOM   197 C C   . LEU A 1 27 ? 17.151 15.123 47.528 1.00 17.95 ? ? ? ? ? ? 26 LEU A C   1 
ATOM   198 O O   . LEU A 1 27 ? 17.644 14.940 48.627 1.00 17.26 ? ? ? ? ? ? 26 LEU A O   1 
ATOM   199 C CB  . LEU A 1 27 ? 15.908 13.181 46.709 1.00 13.01 ? ? ? ? ? ? 26 LEU A CB  1 
ATOM   200 C CG  . LEU A 1 27 ? 14.574 12.485 46.460 1.00 11.21 ? ? ? ? ? ? 26 LEU A CG  1 
ATOM   201 C CD1 . LEU A 1 27 ? 14.834 11.092 45.949 1.00 11.01 ? ? ? ? ? ? 26 LEU A CD1 1 
ATOM   202 C CD2 . LEU A 1 27 ? 13.764 12.438 47.721 1.00 9.80  ? ? ? ? ? ? 26 LEU A CD2 1 
ATOM   203 N N   . GLU A 1 28 ? 17.805 15.680 46.520 1.00 21.45 ? ? ? ? ? ? 27 GLU A N   1 
ATOM   204 C CA  . GLU A 1 28 ? 19.146 16.204 46.714 1.00 25.63 ? ? ? ? ? ? 27 GLU A CA  1 
ATOM   205 C C   . GLU A 1 28 ? 19.448 17.414 45.852 1.00 28.36 ? ? ? ? ? ? 27 GLU A C   1 
ATOM   206 O O   . GLU A 1 28 ? 18.921 17.556 44.752 1.00 28.07 ? ? ? ? ? ? 27 GLU A O   1 
ATOM   207 C CB  . GLU A 1 28 ? 20.233 15.118 46.570 1.00 27.86 ? ? ? ? ? ? 27 GLU A CB  1 
ATOM   208 C CG  . GLU A 1 28 ? 20.394 14.470 45.207 1.00 33.76 ? ? ? ? ? ? 27 GLU A CG  1 
ATOM   209 C CD  . GLU A 1 28 ? 21.859 14.143 44.897 1.00 39.05 ? ? ? ? ? ? 27 GLU A CD  1 
ATOM   210 O OE1 . GLU A 1 28 ? 22.608 15.058 44.473 1.00 42.01 ? ? ? ? ? ? 27 GLU A OE1 1 
ATOM   211 O OE2 . GLU A 1 28 ? 22.268 12.976 45.070 1.00 40.26 ? ? ? ? ? ? 27 GLU A OE2 1 
ATOM   212 N N   . HIS A 1 29 ? 20.337 18.249 46.383 1.00 31.94 ? ? ? ? ? ? 28 HIS A N   1 
ATOM   213 C CA  . HIS A 1 29 ? 20.783 19.530 45.840 1.00 35.46 ? ? ? ? ? ? 28 HIS A CA  1 
ATOM   214 C C   . HIS A 1 29 ? 19.654 20.469 45.435 1.00 36.75 ? ? ? ? ? ? 28 HIS A C   1 
ATOM   215 O O   . HIS A 1 29 ? 19.198 20.462 44.301 1.00 38.75 ? ? ? ? ? ? 28 HIS A O   1 
ATOM   216 C CB  . HIS A 1 29 ? 21.800 19.391 44.719 1.00 37.72 ? ? ? ? ? ? 28 HIS A CB  1 
ATOM   217 C CG  . HIS A 1 29 ? 22.498 20.681 44.400 1.00 43.03 ? ? ? ? ? ? 28 HIS A CG  1 
ATOM   218 N ND1 . HIS A 1 29 ? 21.875 21.722 43.740 1.00 45.57 ? ? ? ? ? ? 28 HIS A ND1 1 
ATOM   219 C CD2 . HIS A 1 29 ? 23.770 21.090 44.627 1.00 43.97 ? ? ? ? ? ? 28 HIS A CD2 1 
ATOM   220 C CE1 . HIS A 1 29 ? 22.739 22.708 43.555 1.00 45.58 ? ? ? ? ? ? 28 HIS A CE1 1 
ATOM   221 N NE2 . HIS A 1 29 ? 23.895 22.354 44.093 1.00 45.32 ? ? ? ? ? ? 28 HIS A NE2 1 
ATOM   222 N N   . GLY A 1 30 ? 19.213 21.301 46.374 1.00 37.74 ? ? ? ? ? ? 29 GLY A N   1 
ATOM   223 C CA  . GLY A 1 30 ? 18.140 22.229 46.071 1.00 39.92 ? ? ? ? ? ? 29 GLY A CA  1 
ATOM   224 C C   . GLY A 1 30 ? 16.872 21.930 46.850 1.00 42.81 ? ? ? ? ? ? 29 GLY A C   1 
ATOM   225 O O   . GLY A 1 30 ? 16.654 22.493 47.935 1.00 44.97 ? ? ? ? ? ? 29 GLY A O   1 
ATOM   226 N N   . NH2 A 1 31 ? 15.999 21.088 46.284 1.00 43.72 ? ? ? ? ? ? 30 NH2 A N   1 
HETATM 227 S S   . SO4 B 2 .  ? 22.063 20.035 40.530 1.00 49.71 ? ? ? ? ? ? 31 SO4 A S   1 
HETATM 228 O O1  . SO4 B 2 .  ? 20.653 20.086 40.932 0.50 48.61 ? ? ? ? ? ? 31 SO4 A O1  1 
HETATM 229 O O2  . SO4 B 2 .  ? 22.217 19.202 39.331 0.50 47.78 ? ? ? ? ? ? 31 SO4 A O2  1 
HETATM 230 O O3  . SO4 B 2 .  ? 22.543 21.397 40.242 0.50 48.66 ? ? ? ? ? ? 31 SO4 A O3  1 
HETATM 231 O O4  . SO4 B 2 .  ? 22.859 19.452 41.620 0.50 48.02 ? ? ? ? ? ? 31 SO4 A O4  1 
HETATM 232 O O   . HOH C 3 .  ? 6.665  5.129  12.217 1.00 31.34 ? ? ? ? ? ? 32 HOH A O   1 
HETATM 233 O O   . HOH C 3 .  ? 9.725  9.438  9.176  1.00 27.68 ? ? ? ? ? ? 33 HOH A O   1 
HETATM 234 O O   . HOH C 3 .  ? 10.709 6.699  24.381 1.00 22.12 ? ? ? ? ? ? 34 HOH A O   1 
HETATM 235 O O   . HOH C 3 .  ? 11.606 14.085 19.033 1.00 19.41 ? ? ? ? ? ? 35 HOH A O   1 
HETATM 236 O O   . HOH C 3 .  ? 9.624  10.198 34.793 1.00 21.36 ? ? ? ? ? ? 36 HOH A O   1 
HETATM 237 O O   . HOH C 3 .  ? 1.428  7.910  14.246 1.00 35.86 ? ? ? ? ? ? 37 HOH A O   1 
HETATM 238 O O   . HOH C 3 .  ? 17.943 16.495 39.323 1.00 12.90 ? ? ? ? ? ? 38 HOH A O   1 
HETATM 239 O O   . HOH C 3 .  ? 8.100  5.084  18.399 1.00 22.12 ? ? ? ? ? ? 39 HOH A O   1 
HETATM 240 O O   . HOH C 3 .  ? 11.756 3.578  14.781 1.00 46.65 ? ? ? ? ? ? 40 HOH A O   1 
HETATM 241 O O   . HOH C 3 .  ? 7.167  8.453  8.395  1.00 22.87 ? ? ? ? ? ? 41 HOH A O   1 
HETATM 242 O O   . HOH C 3 .  ? 11.041 16.475 20.983 1.00 29.99 ? ? ? ? ? ? 42 HOH A O   1 
HETATM 243 O O   . HOH C 3 .  ? 10.846 5.996  27.354 1.00 42.17 ? ? ? ? ? ? 43 HOH A O   1 
HETATM 244 O O   . HOH C 3 .  ? 6.627  11.849 32.079 1.00 46.73 ? ? ? ? ? ? 44 HOH A O   1 
HETATM 245 O O   . HOH C 3 .  ? 15.004 18.427 31.249 1.00 31.07 ? ? ? ? ? ? 45 HOH A O   1 
HETATM 246 O O   . HOH C 3 .  ? 9.022  15.413 38.636 1.00 35.04 ? ? ? ? ? ? 46 HOH A O   1 
HETATM 247 O O   . HOH C 3 .  ? 12.739 19.749 34.770 1.00 44.68 ? ? ? ? ? ? 47 HOH A O   1 
HETATM 248 O O   . HOH C 3 .  ? 3.493  6.226  9.184  1.00 60.65 ? ? ? ? ? ? 48 HOH A O   1 
HETATM 249 O O   . HOH C 3 .  ? 10.963 18.191 27.672 1.00 46.37 ? ? ? ? ? ? 49 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  ACE 1  0  0  ACE ACE A . n 
A 1 2  GLU 2  1  1  GLU GLU A . n 
A 1 3  VAL 3  2  2  VAL VAL A . n 
A 1 4  GLU 4  3  3  GLU GLU A . n 
A 1 5  ALA 5  4  4  ALA ALA A . n 
A 1 6  LEU 6  5  5  LEU LEU A . n 
A 1 7  GLU 7  6  6  GLU GLU A . n 
A 1 8  LYS 8  7  7  LYS LYS A . n 
A 1 9  LYS 9  8  8  LYS LYS A . n 
A 1 10 VAL 10 9  9  VAL VAL A . n 
A 1 11 ALA 11 10 10 ALA ALA A . n 
A 1 12 ALA 12 11 11 ALA ALA A . n 
A 1 13 LEU 13 12 12 LEU LEU A . n 
A 1 14 GLU 14 13 13 GLU GLU A . n 
A 1 15 SER 15 14 14 SER SER A . n 
A 1 16 LYS 16 15 15 LYS LYS A . n 
A 1 17 VAL 17 16 16 VAL VAL A . n 
A 1 18 GLN 18 17 17 GLN GLN A . n 
A 1 19 ALA 19 18 18 ALA ALA A . n 
A 1 20 LEU 20 19 19 LEU LEU A . n 
A 1 21 GLU 21 20 20 GLU GLU A . n 
A 1 22 LYS 22 21 21 LYS LYS A . n 
A 1 23 LYS 23 22 22 LYS LYS A . n 
A 1 24 VAL 24 23 23 VAL VAL A . n 
A 1 25 GLU 25 24 24 GLU GLU A . n 
A 1 26 ALA 26 25 25 ALA ALA A . n 
A 1 27 LEU 27 26 26 LEU LEU A . n 
A 1 28 GLU 28 27 27 GLU GLU A . n 
A 1 29 HIS 29 28 28 HIS HIS A . n 
A 1 30 GLY 30 29 29 GLY GLY A . n 
A 1 31 NH2 31 30 30 NH2 NH2 A . n 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
X-PLOR 'model building' 3.1 ? 1 
X-PLOR refinement       3.1 ? 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 
1COI 2008-03-24 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1COI 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
1COI 2011-07-13 4 0000 'Biological assembly'       'Added software calculated values'           
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA,PQS 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 3910 ? 
1 'SSA (A^2)'  6210 ? 
1 MORE         -26  ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z         1.0000000000  0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_655 -y+1,x-y,z    -0.5000000000 -0.8660254038 0.0000000000 33.6000000000 0.8660254038  
-0.5000000000 0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 3_665 -x+y+1,-x+1,z -0.5000000000 0.8660254038  0.0000000000 16.8000000000 -0.8660254038 
-0.5000000000 0.0000000000 29.0984535672 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
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 SO4 1  31 31 SO4 SO4 A . 
C 3 HOH 1  32 32 HOH HOH A . 
C 3 HOH 2  33 33 HOH HOH A . 
C 3 HOH 3  34 34 HOH HOH A . 
C 3 HOH 4  35 35 HOH HOH A . 
C 3 HOH 5  36 36 HOH HOH A . 
C 3 HOH 6  37 37 HOH HOH A . 
C 3 HOH 7  38 38 HOH HOH A . 
C 3 HOH 8  39 39 HOH HOH A . 
C 3 HOH 9  40 40 HOH HOH A . 
C 3 HOH 10 41 41 HOH HOH A . 
C 3 HOH 11 42 42 HOH HOH A . 
C 3 HOH 12 43 43 HOH HOH A . 
C 3 HOH 13 44 44 HOH HOH A . 
C 3 HOH 14 45 45 HOH HOH A . 
C 3 HOH 15 46 46 HOH HOH A . 
C 3 HOH 16 47 47 HOH HOH A . 
C 3 HOH 17 48 48 HOH HOH A . 
C 3 HOH 18 49 49 HOH HOH A . 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 S A SO4 31 ? ? 1_555 O1 A SO4 31 ? ? 6_767 1.42 
2 1 S A SO4 31 ? ? 1_555 O2 A SO4 31 ? ? 6_767 1.46 
3 1 S A SO4 31 ? ? 1_555 O4 A SO4 31 ? ? 6_767 1.49 
4 1 S A SO4 31 ? ? 1_555 O3 A SO4 31 ? ? 6_767 1.51 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    HIS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     28 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.phi             50.09 
_pdbx_validate_torsion.psi             90.11 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 water         HOH 
# 
