data_1ZII
# 
_entry.id   1ZII 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.279 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   1ZII         
WWPDB D_1000177482 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1ZII 
_pdbx_database_status.recvd_initial_deposition_date   1996-10-30 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    ? 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Gonzalez Junior, L.' 1 
'Brown, R.A.'         2 
'Richardson, D.'      3 
'Alber, T.'           4 
# 
loop_
_citation.id 
_citation.title 
_citation.journal_abbrev 
_citation.journal_volume 
_citation.page_first 
_citation.page_last 
_citation.year 
_citation.journal_id_ASTM 
_citation.country 
_citation.journal_id_ISSN 
_citation.journal_id_CSD 
_citation.book_publisher 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_DOI 
primary 'Crystal structures of a single coiled-coil peptide in two oligomeric states reveal the basis for structural polymorphism' 
Nat.Struct.Biol. 3   1002 1010 1996 NSBIEW US 1072-8368 2024 ? 8946853 10.1038/nsb1296-1002 
1       'An Engineered Allosteric Switch in Leucine-Zipper Oligomerization'                                                        
Nat.Struct.Biol. 3   510  ?    1996 NSBIEW US 1072-8368 2024 ? ?       ?                    
2       'Crystal Structure of an Isoleucine-Zipper Trimer'                                                                         
Nature           371 80   ?    1994 NATUAS UK 0028-0836 0006 ? ?       ?                    
3       'A Switch between Two-, Three-, and Four-Stranded Coiled Coils in GCN4 Leucine Zipper Mutants'                             
Science          262 1401 ?    1993 SCIEAS US 0036-8075 0038 ? ?       ?                    
4       'X-Ray Structure of the GCN4 Leucine Zipper, a Two-Stranded, Parallel Coiled Coil'                                         
Science          254 539  ?    1991 SCIEAS US 0036-8075 0038 ? ?       ?                    
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Gonzalez Junior, L.' 1  
primary 'Brown, R.A.'         2  
primary 'Richardson, D.'      3  
primary 'Alber, T.'           4  
1       'Gonzalez Junior, L.' 5  
1       'Plecs, J.J.'         6  
1       'Alber, T.'           7  
2       'Harbury, P.B.'       8  
2       'Kim, P.S.'           9  
2       'Alber, T.'           10 
3       'Harbury, P.B.'       11 
3       'Zhang, T.'           12 
3       'Kim, P.S.'           13 
3       'Alber, T.'           14 
4       
;O'Shea, E.K.
;
15 
4       'Klemm, J.D.'         16 
4       'Kim, P.S.'           17 
4       'Alber, T.'           18 
# 
_cell.entry_id           1ZII 
_cell.length_a           101.870 
_cell.length_b           30.350 
_cell.length_c           21.800 
_cell.angle_alpha        90.00 
_cell.angle_beta         95.19 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1ZII 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'GENERAL CONTROL PROTEIN GCN4' 4002.703 2  ? 'ASN 16 REPLACED WITH AMINOBUTYRIC ACID (ABA)' ? 
'THIS STRUCTURE IS IN THE DIMERIC STATE' 
2 water   nat water                          18.015   50 ? ?                                              ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        GCN4 
# 
_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)RMKQLEDKVEELLSK(ABA)YHLENEVARLKKLVGER' 
_entity_poly.pdbx_seq_one_letter_code_can   XRMKQLEDKVEELLSKAYHLENEVARLKKLVGER 
_entity_poly.pdbx_strand_id                 A,B 
_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  ACE n 
1 2  ARG n 
1 3  MET n 
1 4  LYS n 
1 5  GLN n 
1 6  LEU n 
1 7  GLU n 
1 8  ASP n 
1 9  LYS n 
1 10 VAL n 
1 11 GLU n 
1 12 GLU n 
1 13 LEU n 
1 14 LEU n 
1 15 SER n 
1 16 LYS n 
1 17 ABA n 
1 18 TYR n 
1 19 HIS n 
1 20 LEU n 
1 21 GLU n 
1 22 ASN n 
1 23 GLU n 
1 24 VAL n 
1 25 ALA n 
1 26 ARG n 
1 27 LEU n 
1 28 LYS n 
1 29 LYS n 
1 30 LEU n 
1 31 VAL n 
1 32 GLY n 
1 33 GLU n 
1 34 ARG n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      ? 
_entity_src_gen.pdbx_beg_seq_num                   ? 
_entity_src_gen.pdbx_end_seq_num                   ? 
_entity_src_gen.gene_src_common_name               
;baker's yeast
;
_entity_src_gen.gene_src_genus                     Saccharomyces 
_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      'Saccharomyces cerevisiae' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     4932 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    GCN4_YEAST 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P03069 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   
;MSEYQPSLFALNPMGFSPLDGSKSTNENVSASTSTAKPMVGQLIFDKFIKTEEDPIIKQDTPSNLDFDFALPQTATAPDA
KTVLPIPELDDAVVESFFSSSTDSTPMFEYENLEDNSKEWTSLFDNDIPVTTDDVSLADKAIESTEEVSLVPSNLEVSTT
SFLPTPVLEDAKLTQTRKVKKPNSVVKKSHHVGKDDESRLDHLGVVAYNRKQRSIPLSPIVPESSDPAALKRARNTEAAR
RSRARKLQRMKQLEDKVEELLSKNYHLENEVARLKKLVGER
;
_struct_ref.pdbx_db_isoform            ? 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 1ZII A 2 ? 34 ? P03069 249 ? 281 ? 1 33 
2 1 1ZII B 2 ? 34 ? P03069 249 ? 281 ? 1 33 
# 
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 1ZII ABA A 17 ? UNP P03069 ASN 264 'MODIFIED RESIDUE' 16 1 
2 1ZII ABA B 17 ? UNP P03069 ASN 264 'MODIFIED RESIDUE' 16 2 
# 
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 
ABA 'L-peptide linking' n 'ALPHA-AMINOBUTYRIC ACID' ? 'C4 H9 N O2'     103.120 
ACE non-polymer         . 'ACETYL GROUP'            ? 'C2 H4 O'        44.053  
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 
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 
MET 'L-peptide linking' y METHIONINE                ? 'C5 H11 N O2 S'  149.211 
SER 'L-peptide linking' y SERINE                    ? 'C3 H7 N O3'     105.093 
TYR 'L-peptide linking' y TYROSINE                  ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                    ? 'C5 H11 N O2'    117.146 
# 
_exptl.entry_id          1ZII 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.10 
_exptl_crystal.density_percent_sol   41. 
_exptl_crystal.description           ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           ? 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'RIGAKU RAXIS' 
_diffrn_detector.pdbx_collection_date   1991 
_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                      'SEALED TUBE' 
_diffrn_source.type                        ? 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             1.5418 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     1ZII 
_reflns.observed_criterion_sigma_I   2. 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             ? 
_reflns.d_resolution_high            ? 
_reflns.number_obs                   5897 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         94. 
_reflns.pdbx_Rmerge_I_obs            0.0340000 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              2.5 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
# 
_refine.entry_id                                 1ZII 
_refine.ls_number_reflns_obs                     5897 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          2. 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             6.0 
_refine.ls_d_res_high                            1.8 
_refine.ls_percent_reflns_obs                    ? 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.1820000 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_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.pdbx_TLS_residual_ADP_flag               ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        520 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             50 
_refine_hist.number_atoms_total               570 
_refine_hist.d_res_high                       1.8 
_refine_hist.d_res_low                        6.0 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
t_bond_d           0.020 ? ? ? 'X-RAY DIFFRACTION' ? 
t_angle_deg        2.90  ? ? ? 'X-RAY DIFFRACTION' ? 
t_dihedral_angle_d ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_incorr_chiral_ct ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_pseud_angle      ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_trig_c_planes    ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_gen_planes       ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_it               ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_nbd              ?     ? ? ? 'X-RAY DIFFRACTION' ? 
# 
_struct.entry_id                  1ZII 
_struct.title                     'GCN4-LEUCINE ZIPPER CORE MUTANT ASN16ABA IN THE DIMERIC STATE' 
_struct.pdbx_descriptor           'GENERAL CONTROL PROTEIN GCN4' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1ZII 
_struct_keywords.pdbx_keywords   'LEUCINE ZIPPER' 
_struct_keywords.text            
'LEUCINE ZIPPER, AMINO-ACID BIOSYNTHESIS, TRANSCRIPTION REGULATION, ACTIVATOR, DNA-BINDING, NUCLEAR PROTEIN, COILED COIL' 
# 
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 1 ? 
C N N 2 ? 
D N N 2 ? 
# 
_struct_biol.id   1 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 1 ARG A 2 ? VAL A 31 ? ARG A 1 VAL A 30 1 ? 30 
HELX_P HELX_P2 2 ARG B 2 ? VAL B 31 ? ARG B 1 VAL B 30 1 ? 30 
# 
_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 
covale1 covale ? ? A ACE 1  C ? ? ? 1_555 A ARG 2  N ? ? A ACE 0  A ARG 1  1_555 ? ? ? ? ? ? ? 1.326 ? 
covale2 covale ? ? A ABA 17 N ? ? ? 1_555 A LYS 16 C ? ? A ABA 16 A LYS 15 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale3 covale ? ? A ABA 17 C ? ? ? 1_555 A TYR 18 N ? ? A ABA 16 A TYR 17 1_555 ? ? ? ? ? ? ? 1.349 ? 
covale4 covale ? ? B ACE 1  C ? ? ? 1_555 B ARG 2  N ? ? B ACE 0  B ARG 1  1_555 ? ? ? ? ? ? ? 1.359 ? 
covale5 covale ? ? B ABA 17 N ? ? ? 1_555 B LYS 16 C ? ? B ABA 16 B LYS 15 1_555 ? ? ? ? ? ? ? 1.332 ? 
covale6 covale ? ? B ABA 17 C ? ? ? 1_555 B TYR 18 N ? ? B ABA 16 B TYR 17 1_555 ? ? ? ? ? ? ? 1.342 ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_database_PDB_matrix.entry_id          1ZII 
_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                    1ZII 
_atom_sites.fract_transf_matrix[1][1]   0.009816 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000892 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.032949 
_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]   0.046060 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
HETATM 1   C C   . ACE A 1 1  ? 39.792 16.269 13.733  1.00 94.95  ? 0  ACE A C   1 
HETATM 2   O O   . ACE A 1 1  ? 39.049 16.590 12.773  1.00 50.59  ? 0  ACE A O   1 
HETATM 3   C CH3 . ACE A 1 1  ? 41.318 16.435 13.647  1.00 49.82  ? 0  ACE A CH3 1 
ATOM   4   N N   . ARG A 1 2  ? 39.328 15.661 14.816  1.00 74.38  ? 1  ARG A N   1 
ATOM   5   C CA  . ARG A 1 2  ? 38.021 15.072 14.909  1.00 71.45  ? 1  ARG A CA  1 
ATOM   6   C C   . ARG A 1 2  ? 37.075 16.190 15.026  1.00 42.96  ? 1  ARG A C   1 
ATOM   7   O O   . ARG A 1 2  ? 36.099 16.162 14.340  1.00 36.20  ? 1  ARG A O   1 
ATOM   8   C CB  . ARG A 1 2  ? 37.899 14.139 16.116  1.00 26.71  ? 1  ARG A CB  1 
ATOM   9   C CG  . ARG A 1 2  ? 36.632 13.284 16.334  1.00 42.35  ? 1  ARG A CG  1 
ATOM   10  C CD  . ARG A 1 2  ? 36.820 12.416 17.614  1.00 78.93  ? 1  ARG A CD  1 
ATOM   11  N NE  . ARG A 1 2  ? 35.686 12.212 18.566  1.00 38.35  ? 1  ARG A NE  1 
ATOM   12  C CZ  . ARG A 1 2  ? 35.645 12.593 19.883  1.00 67.86  ? 1  ARG A CZ  1 
ATOM   13  N NH1 . ARG A 1 2  ? 36.527 13.340 20.507  1.00 43.04  ? 1  ARG A NH1 1 
ATOM   14  N NH2 . ARG A 1 2  ? 34.609 12.356 20.614  1.00 76.04  ? 1  ARG A NH2 1 
ATOM   15  N N   . MET A 1 3  ? 37.421 17.173 15.864  1.00 24.49  ? 2  MET A N   1 
ATOM   16  C CA  . MET A 1 3  ? 36.597 18.344 16.096  1.00 28.27  ? 2  MET A CA  1 
ATOM   17  C C   . MET A 1 3  ? 36.285 19.010 14.750  1.00 37.66  ? 2  MET A C   1 
ATOM   18  O O   . MET A 1 3  ? 35.130 19.391 14.463  1.00 34.63  ? 2  MET A O   1 
ATOM   19  C CB  . MET A 1 3  ? 37.293 19.282 17.131  1.00 19.60  ? 2  MET A CB  1 
ATOM   20  C CG  . MET A 1 3  ? 36.497 20.506 17.545  1.00 57.27  ? 2  MET A CG  1 
ATOM   21  S SD  . MET A 1 3  ? 35.549 20.369 19.098  1.00 74.36  ? 2  MET A SD  1 
ATOM   22  C CE  . MET A 1 3  ? 34.836 18.714 19.150  1.00 53.92  ? 2  MET A CE  1 
ATOM   23  N N   . LYS A 1 4  ? 37.356 19.078 13.921  1.00 43.10  ? 3  LYS A N   1 
ATOM   24  C CA  . LYS A 1 4  ? 37.343 19.627 12.568  1.00 33.54  ? 3  LYS A CA  1 
ATOM   25  C C   . LYS A 1 4  ? 36.475 18.699 11.734  1.00 54.12  ? 3  LYS A C   1 
ATOM   26  O O   . LYS A 1 4  ? 35.610 19.100 10.971  1.00 21.67  ? 3  LYS A O   1 
ATOM   27  C CB  . LYS A 1 4  ? 38.775 19.676 12.007  1.00 22.27  ? 3  LYS A CB  1 
ATOM   28  C CG  . LYS A 1 4  ? 39.015 20.379 10.676  1.00 48.33  ? 3  LYS A CG  1 
ATOM   29  C CD  . LYS A 1 4  ? 40.386 19.969 10.130  1.00 68.33  ? 3  LYS A CD  1 
ATOM   30  C CE  . LYS A 1 4  ? 40.955 18.759 10.893  1.00 87.65  ? 3  LYS A CE  1 
ATOM   31  N NZ  . LYS A 1 4  ? 42.395 18.468 10.708  1.00 48.61  ? 3  LYS A NZ  1 
ATOM   32  N N   . GLN A 1 5  ? 36.653 17.405 11.898  1.00 19.36  ? 4  GLN A N   1 
ATOM   33  C CA  . GLN A 1 5  ? 35.800 16.526 11.108  1.00 22.41  ? 4  GLN A CA  1 
ATOM   34  C C   . GLN A 1 5  ? 34.338 16.692 11.472  1.00 42.60  ? 4  GLN A C   1 
ATOM   35  O O   . GLN A 1 5  ? 33.448 16.653 10.634  1.00 15.38  ? 4  GLN A O   1 
ATOM   36  C CB  . GLN A 1 5  ? 36.150 15.042 11.255  1.00 19.56  ? 4  GLN A CB  1 
ATOM   37  C CG  . GLN A 1 5  ? 37.600 14.756 10.891  1.00 53.91  ? 4  GLN A CG  1 
ATOM   38  C CD  . GLN A 1 5  ? 38.021 13.390 11.379  1.00 100.00 ? 4  GLN A CD  1 
ATOM   39  O OE1 . GLN A 1 5  ? 39.221 13.047 11.371  1.00 100.00 ? 4  GLN A OE1 1 
ATOM   40  N NE2 . GLN A 1 5  ? 37.023 12.599 11.798  1.00 99.53  ? 4  GLN A NE2 1 
ATOM   41  N N   . LEU A 1 6  ? 34.086 16.821 12.755  1.00 12.46  ? 5  LEU A N   1 
ATOM   42  C CA  . LEU A 1 6  ? 32.734 16.946 13.206  1.00 17.12  ? 5  LEU A CA  1 
ATOM   43  C C   . LEU A 1 6  ? 32.140 18.267 12.745  1.00 24.21  ? 5  LEU A C   1 
ATOM   44  O O   . LEU A 1 6  ? 30.968 18.281 12.463  1.00 11.86  ? 5  LEU A O   1 
ATOM   45  C CB  . LEU A 1 6  ? 32.610 16.831 14.755  1.00 39.86  ? 5  LEU A CB  1 
ATOM   46  C CG  . LEU A 1 6  ? 32.706 15.423 15.398  1.00 28.90  ? 5  LEU A CG  1 
ATOM   47  C CD1 . LEU A 1 6  ? 33.016 15.576 16.892  1.00 18.02  ? 5  LEU A CD1 1 
ATOM   48  C CD2 . LEU A 1 6  ? 31.362 14.695 15.291  1.00 10.05  ? 5  LEU A CD2 1 
ATOM   49  N N   . GLU A 1 7  ? 32.909 19.383 12.751  1.00 4.62   ? 6  GLU A N   1 
ATOM   50  C CA  . GLU A 1 7  ? 32.358 20.676 12.342  1.00 19.62  ? 6  GLU A CA  1 
ATOM   51  C C   . GLU A 1 7  ? 31.841 20.620 10.902  1.00 19.68  ? 6  GLU A C   1 
ATOM   52  O O   . GLU A 1 7  ? 30.713 21.068 10.579  1.00 20.82  ? 6  GLU A O   1 
ATOM   53  C CB  . GLU A 1 7  ? 33.376 21.808 12.594  1.00 20.69  ? 6  GLU A CB  1 
ATOM   54  C CG  . GLU A 1 7  ? 33.526 22.143 14.107  1.00 19.77  ? 6  GLU A CG  1 
ATOM   55  C CD  . GLU A 1 7  ? 34.822 22.838 14.434  1.00 34.55  ? 6  GLU A CD  1 
ATOM   56  O OE1 . GLU A 1 7  ? 35.667 23.111 13.635  1.00 19.25  ? 6  GLU A OE1 1 
ATOM   57  O OE2 . GLU A 1 7  ? 34.904 23.229 15.641  1.00 18.44  ? 6  GLU A OE2 1 
ATOM   58  N N   . ASP A 1 8  ? 32.726 20.037 10.068  1.00 12.91  ? 7  ASP A N   1 
ATOM   59  C CA  . ASP A 1 8  ? 32.526 19.745 8.636   1.00 22.14  ? 7  ASP A CA  1 
ATOM   60  C C   . ASP A 1 8  ? 31.237 18.957 8.369   1.00 7.81   ? 7  ASP A C   1 
ATOM   61  O O   . ASP A 1 8  ? 30.487 19.232 7.455   1.00 14.30  ? 7  ASP A O   1 
ATOM   62  C CB  . ASP A 1 8  ? 33.693 18.944 8.017   1.00 22.21  ? 7  ASP A CB  1 
ATOM   63  C CG  . ASP A 1 8  ? 34.935 19.753 7.806   1.00 31.45  ? 7  ASP A CG  1 
ATOM   64  O OD1 . ASP A 1 8  ? 34.930 20.959 7.677   1.00 32.22  ? 7  ASP A OD1 1 
ATOM   65  O OD2 . ASP A 1 8  ? 36.019 19.021 7.784   1.00 37.75  ? 7  ASP A OD2 1 
ATOM   66  N N   . LYS A 1 9  ? 30.998 17.963 9.173   1.00 14.96  ? 8  LYS A N   1 
ATOM   67  C CA  . LYS A 1 9  ? 29.829 17.158 9.081   1.00 11.03  ? 8  LYS A CA  1 
ATOM   68  C C   . LYS A 1 9  ? 28.604 17.962 9.413   1.00 19.86  ? 8  LYS A C   1 
ATOM   69  O O   . LYS A 1 9  ? 27.633 17.889 8.705   1.00 16.20  ? 8  LYS A O   1 
ATOM   70  C CB  . LYS A 1 9  ? 29.938 16.058 10.057  1.00 10.68  ? 8  LYS A CB  1 
ATOM   71  C CG  . LYS A 1 9  ? 28.716 15.216 9.959   1.00 10.68  ? 8  LYS A CG  1 
ATOM   72  C CD  . LYS A 1 9  ? 28.941 14.082 8.986   1.00 27.74  ? 8  LYS A CD  1 
ATOM   73  C CE  . LYS A 1 9  ? 27.681 13.328 8.582   1.00 100.00 ? 8  LYS A CE  1 
ATOM   74  N NZ  . LYS A 1 9  ? 27.816 12.642 7.280   1.00 82.64  ? 8  LYS A NZ  1 
ATOM   75  N N   . VAL A 1 10 ? 28.623 18.727 10.508  1.00 12.62  ? 9  VAL A N   1 
ATOM   76  C CA  . VAL A 1 10 ? 27.475 19.587 10.800  1.00 15.85  ? 9  VAL A CA  1 
ATOM   77  C C   . VAL A 1 10 ? 27.224 20.515 9.538   1.00 15.06  ? 9  VAL A C   1 
ATOM   78  O O   . VAL A 1 10 ? 26.095 20.691 9.088   1.00 13.57  ? 9  VAL A O   1 
ATOM   79  C CB  . VAL A 1 10 ? 27.684 20.503 12.061  1.00 13.02  ? 9  VAL A CB  1 
ATOM   80  C CG1 . VAL A 1 10 ? 26.624 21.603 12.155  1.00 12.71  ? 9  VAL A CG1 1 
ATOM   81  C CG2 . VAL A 1 10 ? 27.625 19.772 13.386  1.00 14.26  ? 9  VAL A CG2 1 
ATOM   82  N N   . GLU A 1 11 ? 28.277 21.191 8.990   1.00 13.38  ? 10 GLU A N   1 
ATOM   83  C CA  . GLU A 1 11 ? 28.126 22.108 7.825   1.00 14.38  ? 10 GLU A CA  1 
ATOM   84  C C   . GLU A 1 11 ? 27.555 21.377 6.598   1.00 15.61  ? 10 GLU A C   1 
ATOM   85  O O   . GLU A 1 11 ? 26.764 21.896 5.816   1.00 11.84  ? 10 GLU A O   1 
ATOM   86  C CB  . GLU A 1 11 ? 29.461 22.806 7.499   1.00 7.90   ? 10 GLU A CB  1 
ATOM   87  C CG  . GLU A 1 11 ? 29.882 23.786 8.627   1.00 16.49  ? 10 GLU A CG  1 
ATOM   88  C CD  . GLU A 1 11 ? 31.381 24.056 8.608   1.00 53.91  ? 10 GLU A CD  1 
ATOM   89  O OE1 . GLU A 1 11 ? 32.123 23.667 7.736   1.00 37.99  ? 10 GLU A OE1 1 
ATOM   90  O OE2 . GLU A 1 11 ? 31.824 24.798 9.580   1.00 39.21  ? 10 GLU A OE2 1 
ATOM   91  N N   . GLU A 1 12 ? 27.989 20.124 6.438   1.00 10.80  ? 11 GLU A N   1 
ATOM   92  C CA  . GLU A 1 12 ? 27.511 19.236 5.349   1.00 11.57  ? 11 GLU A CA  1 
ATOM   93  C C   . GLU A 1 12 ? 26.028 18.920 5.527   1.00 23.67  ? 11 GLU A C   1 
ATOM   94  O O   . GLU A 1 12 ? 25.205 19.042 4.602   1.00 13.98  ? 11 GLU A O   1 
ATOM   95  C CB  . GLU A 1 12 ? 28.267 17.897 5.214   1.00 25.62  ? 11 GLU A CB  1 
ATOM   96  C CG  . GLU A 1 12 ? 27.542 16.886 4.287   1.00 20.91  ? 11 GLU A CG  1 
ATOM   97  C CD  . GLU A 1 12 ? 28.297 15.600 4.289   1.00 26.35  ? 11 GLU A CD  1 
ATOM   98  O OE1 . GLU A 1 12 ? 28.678 15.133 5.292   1.00 28.93  ? 11 GLU A OE1 1 
ATOM   99  O OE2 . GLU A 1 12 ? 28.466 15.006 3.148   1.00 41.11  ? 11 GLU A OE2 1 
ATOM   100 N N   . LEU A 1 13 ? 25.700 18.489 6.740   1.00 13.94  ? 12 LEU A N   1 
ATOM   101 C CA  . LEU A 1 13 ? 24.339 18.229 7.050   1.00 11.40  ? 12 LEU A CA  1 
ATOM   102 C C   . LEU A 1 13 ? 23.464 19.451 6.874   1.00 19.93  ? 12 LEU A C   1 
ATOM   103 O O   . LEU A 1 13 ? 22.435 19.289 6.299   1.00 23.16  ? 12 LEU A O   1 
ATOM   104 C CB  . LEU A 1 13 ? 24.090 17.509 8.366   1.00 6.41   ? 12 LEU A CB  1 
ATOM   105 C CG  . LEU A 1 13 ? 24.704 16.114 8.272   1.00 8.76   ? 12 LEU A CG  1 
ATOM   106 C CD1 . LEU A 1 13 ? 24.617 15.416 9.596   1.00 10.76  ? 12 LEU A CD1 1 
ATOM   107 C CD2 . LEU A 1 13 ? 23.849 15.262 7.359   1.00 15.14  ? 12 LEU A CD2 1 
ATOM   108 N N   . LEU A 1 14 ? 23.819 20.648 7.385   1.00 12.12  ? 13 LEU A N   1 
ATOM   109 C CA  . LEU A 1 14 ? 22.991 21.889 7.256   1.00 15.24  ? 13 LEU A CA  1 
ATOM   110 C C   . LEU A 1 14 ? 22.635 22.226 5.783   1.00 12.60  ? 13 LEU A C   1 
ATOM   111 O O   . LEU A 1 14 ? 21.480 22.514 5.428   1.00 11.33  ? 13 LEU A O   1 
ATOM   112 C CB  . LEU A 1 14 ? 23.690 23.082 7.947   1.00 16.82  ? 13 LEU A CB  1 
ATOM   113 C CG  . LEU A 1 14 ? 22.901 24.362 7.814   1.00 8.94   ? 13 LEU A CG  1 
ATOM   114 C CD1 . LEU A 1 14 ? 21.613 24.031 8.465   1.00 7.54   ? 13 LEU A CD1 1 
ATOM   115 C CD2 . LEU A 1 14 ? 23.542 25.498 8.598   1.00 26.88  ? 13 LEU A CD2 1 
ATOM   116 N N   . SER A 1 15 ? 23.654 22.093 4.935   1.00 9.91   ? 14 SER A N   1 
ATOM   117 C CA  . SER A 1 15 ? 23.579 22.279 3.507   1.00 14.30  ? 14 SER A CA  1 
ATOM   118 C C   . SER A 1 15 ? 22.507 21.363 2.883   1.00 30.06  ? 14 SER A C   1 
ATOM   119 O O   . SER A 1 15 ? 21.654 21.800 2.107   1.00 15.17  ? 14 SER A O   1 
ATOM   120 C CB  . SER A 1 15 ? 24.922 21.879 2.960   1.00 19.05  ? 14 SER A CB  1 
ATOM   121 O OG  . SER A 1 15 ? 25.556 23.007 2.449   1.00 40.25  ? 14 SER A OG  1 
ATOM   122 N N   . LYS A 1 16 ? 22.583 20.061 3.211   1.00 12.59  ? 15 LYS A N   1 
ATOM   123 C CA  . LYS A 1 16 ? 21.623 19.037 2.771   1.00 10.98  ? 15 LYS A CA  1 
ATOM   124 C C   . LYS A 1 16 ? 20.218 19.401 3.298   1.00 21.58  ? 15 LYS A C   1 
ATOM   125 O O   . LYS A 1 16 ? 19.213 19.376 2.589   1.00 15.53  ? 15 LYS A O   1 
ATOM   126 C CB  . LYS A 1 16 ? 22.125 17.697 3.307   1.00 11.88  ? 15 LYS A CB  1 
ATOM   127 C CG  . LYS A 1 16 ? 21.217 16.481 3.315   1.00 43.42  ? 15 LYS A CG  1 
ATOM   128 C CD  . LYS A 1 16 ? 22.020 15.313 2.755   1.00 58.34  ? 15 LYS A CD  1 
ATOM   129 C CE  . LYS A 1 16 ? 23.429 15.306 3.357   1.00 57.04  ? 15 LYS A CE  1 
ATOM   130 N NZ  . LYS A 1 16 ? 24.054 13.981 3.503   1.00 88.59  ? 15 LYS A NZ  1 
HETATM 131 N N   . ABA A 1 17 ? 20.158 19.788 4.568   1.00 11.63  ? 16 ABA A N   1 
HETATM 132 C CA  . ABA A 1 17 ? 18.922 20.205 5.182   1.00 6.47   ? 16 ABA A CA  1 
HETATM 133 C C   . ABA A 1 17 ? 18.186 21.355 4.426   1.00 22.02  ? 16 ABA A C   1 
HETATM 134 O O   . ABA A 1 17 ? 16.981 21.275 4.106   1.00 16.86  ? 16 ABA A O   1 
HETATM 135 C CB  . ABA A 1 17 ? 18.840 19.954 6.714   1.00 12.95  ? 16 ABA A CB  1 
HETATM 136 C CG  . ABA A 1 17 ? 18.098 20.993 7.538   1.00 28.47  ? 16 ABA A CG  1 
ATOM   137 N N   . TYR A 1 18 ? 18.971 22.403 4.103   1.00 14.19  ? 17 TYR A N   1 
ATOM   138 C CA  . TYR A 1 18 ? 18.541 23.567 3.340   1.00 10.45  ? 17 TYR A CA  1 
ATOM   139 C C   . TYR A 1 18 ? 18.084 23.171 1.931   1.00 17.23  ? 17 TYR A C   1 
ATOM   140 O O   . TYR A 1 18 ? 17.110 23.719 1.448   1.00 15.95  ? 17 TYR A O   1 
ATOM   141 C CB  . TYR A 1 18 ? 19.651 24.611 3.232   1.00 6.68   ? 17 TYR A CB  1 
ATOM   142 C CG  . TYR A 1 18 ? 19.659 25.406 4.477   1.00 6.37   ? 17 TYR A CG  1 
ATOM   143 C CD1 . TYR A 1 18 ? 18.624 25.384 5.361   1.00 8.96   ? 17 TYR A CD1 1 
ATOM   144 C CD2 . TYR A 1 18 ? 20.826 26.158 4.776   1.00 17.41  ? 17 TYR A CD2 1 
ATOM   145 C CE1 . TYR A 1 18 ? 18.665 26.142 6.563   1.00 13.40  ? 17 TYR A CE1 1 
ATOM   146 C CE2 . TYR A 1 18 ? 20.865 26.923 5.910   1.00 12.69  ? 17 TYR A CE2 1 
ATOM   147 C CZ  . TYR A 1 18 ? 19.793 26.892 6.821   1.00 15.65  ? 17 TYR A CZ  1 
ATOM   148 O OH  . TYR A 1 18 ? 19.912 27.656 7.944   1.00 24.23  ? 17 TYR A OH  1 
ATOM   149 N N   . HIS A 1 19 ? 18.833 22.270 1.250   1.00 14.73  ? 18 HIS A N   1 
ATOM   150 C CA  . HIS A 1 19 ? 18.491 21.747 -0.085  1.00 23.39  ? 18 HIS A CA  1 
ATOM   151 C C   . HIS A 1 19 ? 17.075 21.115 -0.042  1.00 20.87  ? 18 HIS A C   1 
ATOM   152 O O   . HIS A 1 19 ? 16.161 21.373 -0.847  1.00 17.59  ? 18 HIS A O   1 
ATOM   153 C CB  . HIS A 1 19 ? 19.469 20.634 -0.530  1.00 17.88  ? 18 HIS A CB  1 
ATOM   154 C CG  . HIS A 1 19 ? 18.948 19.976 -1.769  1.00 24.14  ? 18 HIS A CG  1 
ATOM   155 N ND1 . HIS A 1 19 ? 19.057 20.582 -2.999  1.00 24.12  ? 18 HIS A ND1 1 
ATOM   156 C CD2 . HIS A 1 19 ? 18.283 18.803 -1.946  1.00 19.59  ? 18 HIS A CD2 1 
ATOM   157 C CE1 . HIS A 1 19 ? 18.477 19.771 -3.882  1.00 25.63  ? 18 HIS A CE1 1 
ATOM   158 N NE2 . HIS A 1 19 ? 18.012 18.687 -3.285  1.00 27.44  ? 18 HIS A NE2 1 
ATOM   159 N N   . LEU A 1 20 ? 16.869 20.278 0.952   1.00 11.56  ? 19 LEU A N   1 
ATOM   160 C CA  . LEU A 1 20 ? 15.580 19.648 1.088   1.00 11.08  ? 19 LEU A CA  1 
ATOM   161 C C   . LEU A 1 20 ? 14.497 20.607 1.491   1.00 21.41  ? 19 LEU A C   1 
ATOM   162 O O   . LEU A 1 20 ? 13.354 20.389 1.224   1.00 19.35  ? 19 LEU A O   1 
ATOM   163 C CB  . LEU A 1 20 ? 15.610 18.586 2.174   1.00 14.21  ? 19 LEU A CB  1 
ATOM   164 C CG  . LEU A 1 20 ? 16.349 17.352 1.698   1.00 29.29  ? 19 LEU A CG  1 
ATOM   165 C CD1 . LEU A 1 20 ? 16.927 16.497 2.828   1.00 10.25  ? 19 LEU A CD1 1 
ATOM   166 C CD2 . LEU A 1 20 ? 15.415 16.520 0.846   1.00 19.90  ? 19 LEU A CD2 1 
ATOM   167 N N   . GLU A 1 21 ? 14.793 21.565 2.311   1.00 6.43   ? 20 GLU A N   1 
ATOM   168 C CA  . GLU A 1 21 ? 13.759 22.514 2.707   1.00 13.66  ? 20 GLU A CA  1 
ATOM   169 C C   . GLU A 1 21 ? 13.282 23.324 1.448   1.00 19.92  ? 20 GLU A C   1 
ATOM   170 O O   . GLU A 1 21 ? 12.134 23.737 1.274   1.00 16.60  ? 20 GLU A O   1 
ATOM   171 C CB  . GLU A 1 21 ? 14.367 23.501 3.756   1.00 19.83  ? 20 GLU A CB  1 
ATOM   172 C CG  . GLU A 1 21 ? 14.377 22.898 5.185   1.00 13.58  ? 20 GLU A CG  1 
ATOM   173 C CD  . GLU A 1 21 ? 15.008 23.692 6.303   1.00 32.44  ? 20 GLU A CD  1 
ATOM   174 O OE1 . GLU A 1 21 ? 15.476 24.766 6.166   1.00 31.63  ? 20 GLU A OE1 1 
ATOM   175 O OE2 . GLU A 1 21 ? 14.947 23.121 7.467   1.00 34.92  ? 20 GLU A OE2 1 
ATOM   176 N N   . ASN A 1 22 ? 14.207 23.643 0.565   1.00 14.09  ? 21 ASN A N   1 
ATOM   177 C CA  . ASN A 1 22 ? 13.868 24.390 -0.633  1.00 12.25  ? 21 ASN A CA  1 
ATOM   178 C C   . ASN A 1 22 ? 12.988 23.499 -1.481  1.00 25.86  ? 21 ASN A C   1 
ATOM   179 O O   . ASN A 1 22 ? 12.013 23.924 -2.057  1.00 32.11  ? 21 ASN A O   1 
ATOM   180 C CB  . ASN A 1 22 ? 15.138 24.626 -1.475  1.00 10.20  ? 21 ASN A CB  1 
ATOM   181 C CG  . ASN A 1 22 ? 16.092 25.684 -0.887  1.00 42.15  ? 21 ASN A CG  1 
ATOM   182 O OD1 . ASN A 1 22 ? 15.812 26.219 0.163   1.00 17.33  ? 21 ASN A OD1 1 
ATOM   183 N ND2 . ASN A 1 22 ? 17.278 25.934 -1.469  1.00 18.80  ? 21 ASN A ND2 1 
ATOM   184 N N   . GLU A 1 23 ? 13.376 22.235 -1.598  1.00 12.51  ? 22 GLU A N   1 
ATOM   185 C CA  . GLU A 1 23 ? 12.578 21.287 -2.379  1.00 31.47  ? 22 GLU A CA  1 
ATOM   186 C C   . GLU A 1 23 ? 11.125 21.219 -1.850  1.00 39.95  ? 22 GLU A C   1 
ATOM   187 O O   . GLU A 1 23 ? 10.143 21.242 -2.594  1.00 28.56  ? 22 GLU A O   1 
ATOM   188 C CB  . GLU A 1 23 ? 13.125 19.852 -2.247  1.00 14.45  ? 22 GLU A CB  1 
ATOM   189 C CG  . GLU A 1 23 ? 14.121 19.287 -3.283  1.00 49.13  ? 22 GLU A CG  1 
ATOM   190 C CD  . GLU A 1 23 ? 14.420 17.800 -3.026  1.00 94.37  ? 22 GLU A CD  1 
ATOM   191 O OE1 . GLU A 1 23 ? 13.418 16.994 -3.324  1.00 100.00 ? 22 GLU A OE1 1 
ATOM   192 O OE2 . GLU A 1 23 ? 15.493 17.376 -2.605  1.00 84.67  ? 22 GLU A OE2 1 
ATOM   193 N N   . VAL A 1 24 ? 10.975 21.041 -0.540  1.00 14.53  ? 23 VAL A N   1 
ATOM   194 C CA  . VAL A 1 24 ? 9.641  20.983 0.074   1.00 23.28  ? 23 VAL A CA  1 
ATOM   195 C C   . VAL A 1 24 ? 8.783  22.212 -0.337  1.00 29.52  ? 23 VAL A C   1 
ATOM   196 O O   . VAL A 1 24 ? 7.569  22.129 -0.502  1.00 22.10  ? 23 VAL A O   1 
ATOM   197 C CB  . VAL A 1 24 ? 9.763  20.872 1.631   1.00 14.38  ? 23 VAL A CB  1 
ATOM   198 C CG1 . VAL A 1 24 ? 8.415  21.021 2.376   1.00 14.99  ? 23 VAL A CG1 1 
ATOM   199 C CG2 . VAL A 1 24 ? 10.373 19.507 1.980   1.00 18.20  ? 23 VAL A CG2 1 
ATOM   200 N N   . ALA A 1 25 ? 9.436  23.384 -0.438  1.00 25.05  ? 24 ALA A N   1 
ATOM   201 C CA  . ALA A 1 25 ? 8.784  24.655 -0.745  1.00 23.20  ? 24 ALA A CA  1 
ATOM   202 C C   . ALA A 1 25 ? 8.278  24.609 -2.126  1.00 31.82  ? 24 ALA A C   1 
ATOM   203 O O   . ALA A 1 25 ? 7.159  24.970 -2.360  1.00 25.11  ? 24 ALA A O   1 
ATOM   204 C CB  . ALA A 1 25 ? 9.712  25.852 -0.625  1.00 17.32  ? 24 ALA A CB  1 
ATOM   205 N N   . ARG A 1 26 ? 9.153  24.187 -3.023  1.00 25.53  ? 25 ARG A N   1 
ATOM   206 C CA  . ARG A 1 26 ? 8.832  24.003 -4.403  1.00 35.68  ? 25 ARG A CA  1 
ATOM   207 C C   . ARG A 1 26 ? 7.568  23.160 -4.480  1.00 44.12  ? 25 ARG A C   1 
ATOM   208 O O   . ARG A 1 26 ? 6.639  23.540 -5.173  1.00 51.50  ? 25 ARG A O   1 
ATOM   209 C CB  . ARG A 1 26 ? 9.956  23.199 -5.079  1.00 23.75  ? 25 ARG A CB  1 
ATOM   210 C CG  . ARG A 1 26 ? 10.104 23.403 -6.585  1.00 39.08  ? 25 ARG A CG  1 
ATOM   211 C CD  . ARG A 1 26 ? 9.728  22.205 -7.460  1.00 62.33  ? 25 ARG A CD  1 
ATOM   212 N NE  . ARG A 1 26 ? 10.394 20.975 -7.064  1.00 47.80  ? 25 ARG A NE  1 
ATOM   213 C CZ  . ARG A 1 26 ? 10.279 19.777 -7.658  1.00 72.56  ? 25 ARG A CZ  1 
ATOM   214 N NH1 . ARG A 1 26 ? 9.555  19.538 -8.768  1.00 44.04  ? 25 ARG A NH1 1 
ATOM   215 N NH2 . ARG A 1 26 ? 10.949 18.771 -7.111  1.00 67.12  ? 25 ARG A NH2 1 
ATOM   216 N N   . LEU A 1 27 ? 7.555  21.990 -3.777  1.00 39.21  ? 26 LEU A N   1 
ATOM   217 C CA  . LEU A 1 27 ? 6.436  21.030 -3.852  1.00 17.92  ? 26 LEU A CA  1 
ATOM   218 C C   . LEU A 1 27 ? 5.210  21.505 -3.180  1.00 20.93  ? 26 LEU A C   1 
ATOM   219 O O   . LEU A 1 27 ? 4.087  21.069 -3.423  1.00 39.46  ? 26 LEU A O   1 
ATOM   220 C CB  . LEU A 1 27 ? 6.735  19.550 -3.496  1.00 16.20  ? 26 LEU A CB  1 
ATOM   221 C CG  . LEU A 1 27 ? 7.978  19.000 -4.159  1.00 33.90  ? 26 LEU A CG  1 
ATOM   222 C CD1 . LEU A 1 27 ? 8.554  17.858 -3.315  1.00 29.31  ? 26 LEU A CD1 1 
ATOM   223 C CD2 . LEU A 1 27 ? 7.584  18.494 -5.533  1.00 25.44  ? 26 LEU A CD2 1 
ATOM   224 N N   . LYS A 1 28 ? 5.444  22.416 -2.306  1.00 24.48  ? 27 LYS A N   1 
ATOM   225 C CA  . LYS A 1 28 ? 4.343  22.939 -1.591  1.00 37.98  ? 27 LYS A CA  1 
ATOM   226 C C   . LYS A 1 28 ? 3.582  23.883 -2.485  1.00 35.01  ? 27 LYS A C   1 
ATOM   227 O O   . LYS A 1 28 ? 2.375  23.975 -2.462  1.00 40.94  ? 27 LYS A O   1 
ATOM   228 C CB  . LYS A 1 28 ? 4.767  23.474 -0.236  1.00 40.70  ? 27 LYS A CB  1 
ATOM   229 C CG  . LYS A 1 28 ? 5.100  22.319 0.717   1.00 49.35  ? 27 LYS A CG  1 
ATOM   230 C CD  . LYS A 1 28 ? 4.709  22.529 2.167   1.00 31.77  ? 27 LYS A CD  1 
ATOM   231 C CE  . LYS A 1 28 ? 4.927  21.272 3.002   1.00 58.31  ? 27 LYS A CE  1 
ATOM   232 N NZ  . LYS A 1 28 ? 5.022  21.547 4.446   1.00 74.48  ? 27 LYS A NZ  1 
ATOM   233 N N   . LYS A 1 29 ? 4.296  24.530 -3.357  1.00 32.65  ? 28 LYS A N   1 
ATOM   234 C CA  . LYS A 1 29 ? 3.650  25.408 -4.296  1.00 31.53  ? 28 LYS A CA  1 
ATOM   235 C C   . LYS A 1 29 ? 2.910  24.549 -5.362  1.00 53.33  ? 28 LYS A C   1 
ATOM   236 O O   . LYS A 1 29 ? 1.737  24.739 -5.676  1.00 40.43  ? 28 LYS A O   1 
ATOM   237 C CB  . LYS A 1 29 ? 4.702  26.371 -4.835  1.00 28.03  ? 28 LYS A CB  1 
ATOM   238 C CG  . LYS A 1 29 ? 4.380  27.011 -6.172  1.00 39.08  ? 28 LYS A CG  1 
ATOM   239 C CD  . LYS A 1 29 ? 5.608  27.573 -6.871  1.00 63.38  ? 28 LYS A CD  1 
ATOM   240 C CE  . LYS A 1 29 ? 5.946  26.858 -8.169  1.00 71.54  ? 28 LYS A CE  1 
ATOM   241 N NZ  . LYS A 1 29 ? 7.242  27.296 -8.702  1.00 92.45  ? 28 LYS A NZ  1 
ATOM   242 N N   . LEU A 1 30 ? 3.568  23.526 -5.894  1.00 30.34  ? 29 LEU A N   1 
ATOM   243 C CA  . LEU A 1 30 ? 2.882  22.674 -6.845  1.00 20.64  ? 29 LEU A CA  1 
ATOM   244 C C   . LEU A 1 30 ? 1.555  22.321 -6.260  1.00 64.37  ? 29 LEU A C   1 
ATOM   245 O O   . LEU A 1 30 ? 0.534  22.538 -6.874  1.00 54.82  ? 29 LEU A O   1 
ATOM   246 C CB  . LEU A 1 30 ? 3.639  21.384 -7.153  1.00 27.51  ? 29 LEU A CB  1 
ATOM   247 C CG  . LEU A 1 30 ? 4.992  21.668 -7.751  1.00 54.56  ? 29 LEU A CG  1 
ATOM   248 C CD1 . LEU A 1 30 ? 5.660  20.361 -8.193  1.00 37.74  ? 29 LEU A CD1 1 
ATOM   249 C CD2 . LEU A 1 30 ? 4.822  22.679 -8.884  1.00 42.96  ? 29 LEU A CD2 1 
ATOM   250 N N   . VAL A 1 31 ? 1.600  21.803 -5.043  1.00 31.32  ? 30 VAL A N   1 
ATOM   251 C CA  . VAL A 1 31 ? 0.414  21.418 -4.284  1.00 33.70  ? 30 VAL A CA  1 
ATOM   252 C C   . VAL A 1 31 ? -0.779 22.404 -4.279  1.00 28.58  ? 30 VAL A C   1 
ATOM   253 O O   . VAL A 1 31 ? -1.931 22.012 -4.517  1.00 46.28  ? 30 VAL A O   1 
ATOM   254 C CB  . VAL A 1 31 ? 0.782  20.887 -2.899  1.00 56.69  ? 30 VAL A CB  1 
ATOM   255 C CG1 . VAL A 1 31 ? -0.414 20.857 -1.970  1.00 32.90  ? 30 VAL A CG1 1 
ATOM   256 C CG2 . VAL A 1 31 ? 1.202  19.453 -3.068  1.00 53.31  ? 30 VAL A CG2 1 
ATOM   257 N N   . GLY A 1 32 ? -0.533 23.685 -4.003  1.00 31.21  ? 31 GLY A N   1 
ATOM   258 C CA  . GLY A 1 32 ? -1.617 24.682 -3.949  1.00 54.95  ? 31 GLY A CA  1 
ATOM   259 C C   . GLY A 1 32 ? -2.334 25.005 -5.294  1.00 69.67  ? 31 GLY A C   1 
ATOM   260 O O   . GLY A 1 32 ? -2.079 24.498 -6.403  1.00 46.58  ? 31 GLY A O   1 
HETATM 261 C C   . ACE B 1 1  ? 31.693 22.485 21.404  1.00 93.76  ? 0  ACE B C   1 
HETATM 262 O O   . ACE B 1 1  ? 32.293 23.433 20.889  1.00 91.44  ? 0  ACE B O   1 
HETATM 263 C CH3 . ACE B 1 1  ? 30.219 22.254 21.014  1.00 55.35  ? 0  ACE B CH3 1 
ATOM   264 N N   . ARG B 1 2  ? 32.310 21.671 22.301  1.00 66.16  ? 1  ARG B N   1 
ATOM   265 C CA  . ARG B 1 2  ? 33.103 20.445 22.529  1.00 33.24  ? 1  ARG B CA  1 
ATOM   266 C C   . ARG B 1 2  ? 32.631 19.219 21.743  1.00 29.76  ? 1  ARG B C   1 
ATOM   267 O O   . ARG B 1 2  ? 31.558 19.205 21.207  1.00 32.04  ? 1  ARG B O   1 
ATOM   268 C CB  . ARG B 1 2  ? 33.568 20.174 23.974  1.00 100.00 ? 1  ARG B CB  1 
ATOM   269 C CG  . ARG B 1 2  ? 32.962 18.959 24.664  1.00 52.66  ? 1  ARG B CG  1 
ATOM   270 C CD  . ARG B 1 2  ? 31.488 18.972 24.450  1.00 19.80  ? 1  ARG B CD  1 
ATOM   271 N NE  . ARG B 1 2  ? 30.692 18.299 25.442  1.00 49.25  ? 1  ARG B NE  1 
ATOM   272 C CZ  . ARG B 1 2  ? 29.934 18.942 26.329  1.00 74.61  ? 1  ARG B CZ  1 
ATOM   273 N NH1 . ARG B 1 2  ? 29.928 20.258 26.453  1.00 50.08  ? 1  ARG B NH1 1 
ATOM   274 N NH2 . ARG B 1 2  ? 29.172 18.252 27.157  1.00 97.93  ? 1  ARG B NH2 1 
ATOM   275 N N   . MET B 1 3  ? 33.454 18.203 21.656  1.00 32.02  ? 2  MET B N   1 
ATOM   276 C CA  . MET B 1 3  ? 33.172 17.014 20.906  1.00 31.27  ? 2  MET B CA  1 
ATOM   277 C C   . MET B 1 3  ? 31.753 16.492 21.021  1.00 34.19  ? 2  MET B C   1 
ATOM   278 O O   . MET B 1 3  ? 31.080 16.266 20.027  1.00 24.98  ? 2  MET B O   1 
ATOM   279 C CB  . MET B 1 3  ? 34.279 15.998 21.179  1.00 42.47  ? 2  MET B CB  1 
ATOM   280 C CG  . MET B 1 3  ? 34.681 15.300 19.919  1.00 40.45  ? 2  MET B CG  1 
ATOM   281 S SD  . MET B 1 3  ? 36.148 15.881 19.004  1.00 95.66  ? 2  MET B SD  1 
ATOM   282 C CE  . MET B 1 3  ? 37.319 16.560 20.215  1.00 53.73  ? 2  MET B CE  1 
ATOM   283 N N   . LYS B 1 4  ? 31.295 16.333 22.242  1.00 17.27  ? 3  LYS B N   1 
ATOM   284 C CA  . LYS B 1 4  ? 29.975 15.845 22.435  1.00 17.90  ? 3  LYS B CA  1 
ATOM   285 C C   . LYS B 1 4  ? 28.876 16.778 22.071  1.00 19.41  ? 3  LYS B C   1 
ATOM   286 O O   . LYS B 1 4  ? 27.796 16.288 21.829  1.00 20.00  ? 3  LYS B O   1 
ATOM   287 C CB  . LYS B 1 4  ? 29.679 15.238 23.770  1.00 13.43  ? 3  LYS B CB  1 
ATOM   288 C CG  . LYS B 1 4  ? 30.700 14.216 24.236  1.00 25.19  ? 3  LYS B CG  1 
ATOM   289 C CD  . LYS B 1 4  ? 30.543 14.000 25.754  1.00 45.07  ? 3  LYS B CD  1 
ATOM   290 C CE  . LYS B 1 4  ? 30.829 12.632 26.409  1.00 62.26  ? 3  LYS B CE  1 
ATOM   291 N NZ  . LYS B 1 4  ? 30.144 12.480 27.729  1.00 59.94  ? 3  LYS B NZ  1 
ATOM   292 N N   . GLN B 1 5  ? 29.071 18.083 22.091  1.00 19.12  ? 4  GLN B N   1 
ATOM   293 C CA  . GLN B 1 5  ? 27.945 18.942 21.730  1.00 20.89  ? 4  GLN B CA  1 
ATOM   294 C C   . GLN B 1 5  ? 27.659 18.847 20.221  1.00 20.06  ? 4  GLN B C   1 
ATOM   295 O O   . GLN B 1 5  ? 26.497 18.782 19.737  1.00 21.12  ? 4  GLN B O   1 
ATOM   296 C CB  . GLN B 1 5  ? 28.186 20.366 22.232  1.00 15.15  ? 4  GLN B CB  1 
ATOM   297 C CG  . GLN B 1 5  ? 27.656 20.445 23.685  1.00 21.04  ? 4  GLN B CG  1 
ATOM   298 C CD  . GLN B 1 5  ? 27.205 21.822 24.218  1.00 54.79  ? 4  GLN B CD  1 
ATOM   299 O OE1 . GLN B 1 5  ? 26.427 22.559 23.599  1.00 36.06  ? 4  GLN B OE1 1 
ATOM   300 N NE2 . GLN B 1 5  ? 27.590 22.145 25.450  1.00 56.93  ? 4  GLN B NE2 1 
ATOM   301 N N   . LEU B 1 6  ? 28.834 18.798 19.534  1.00 27.18  ? 5  LEU B N   1 
ATOM   302 C CA  . LEU B 1 6  ? 29.051 18.631 18.100  1.00 14.63  ? 5  LEU B CA  1 
ATOM   303 C C   . LEU B 1 6  ? 28.476 17.294 17.672  1.00 36.10  ? 5  LEU B C   1 
ATOM   304 O O   . LEU B 1 6  ? 27.735 17.300 16.731  1.00 16.43  ? 5  LEU B O   1 
ATOM   305 C CB  . LEU B 1 6  ? 30.504 18.797 17.526  1.00 10.01  ? 5  LEU B CB  1 
ATOM   306 C CG  . LEU B 1 6  ? 31.230 20.168 17.641  1.00 25.14  ? 5  LEU B CG  1 
ATOM   307 C CD1 . LEU B 1 6  ? 32.731 19.931 17.484  1.00 22.09  ? 5  LEU B CD1 1 
ATOM   308 C CD2 . LEU B 1 6  ? 30.866 21.102 16.490  1.00 15.74  ? 5  LEU B CD2 1 
ATOM   309 N N   . GLU B 1 7  ? 28.750 16.158 18.358  1.00 10.87  ? 6  GLU B N   1 
ATOM   310 C CA  . GLU B 1 7  ? 28.142 14.857 17.965  1.00 12.01  ? 6  GLU B CA  1 
ATOM   311 C C   . GLU B 1 7  ? 26.611 14.899 17.953  1.00 6.13   ? 6  GLU B C   1 
ATOM   312 O O   . GLU B 1 7  ? 25.928 14.397 17.051  1.00 14.57  ? 6  GLU B O   1 
ATOM   313 C CB  . GLU B 1 7  ? 28.649 13.691 18.840  1.00 6.70   ? 6  GLU B CB  1 
ATOM   314 C CG  . GLU B 1 7  ? 30.151 13.445 18.567  1.00 12.57  ? 6  GLU B CG  1 
ATOM   315 C CD  . GLU B 1 7  ? 30.827 12.700 19.690  1.00 19.29  ? 6  GLU B CD  1 
ATOM   316 O OE1 . GLU B 1 7  ? 30.247 12.381 20.692  1.00 14.59  ? 6  GLU B OE1 1 
ATOM   317 O OE2 . GLU B 1 7  ? 32.038 12.299 19.424  1.00 21.01  ? 6  GLU B OE2 1 
ATOM   318 N N   . ASP B 1 8  ? 26.104 15.540 19.003  1.00 13.14  ? 7  ASP B N   1 
ATOM   319 C CA  . ASP B 1 8  ? 24.678 15.740 19.268  1.00 15.77  ? 7  ASP B CA  1 
ATOM   320 C C   . ASP B 1 8  ? 24.005 16.543 18.191  1.00 17.24  ? 7  ASP B C   1 
ATOM   321 O O   . ASP B 1 8  ? 22.883 16.205 17.792  1.00 11.52  ? 7  ASP B O   1 
ATOM   322 C CB  . ASP B 1 8  ? 24.389 16.484 20.583  1.00 11.60  ? 7  ASP B CB  1 
ATOM   323 C CG  . ASP B 1 8  ? 24.498 15.662 21.836  1.00 49.29  ? 7  ASP B CG  1 
ATOM   324 O OD1 . ASP B 1 8  ? 24.703 14.475 21.847  1.00 18.91  ? 7  ASP B OD1 1 
ATOM   325 O OD2 . ASP B 1 8  ? 24.533 16.387 22.916  1.00 25.63  ? 7  ASP B OD2 1 
ATOM   326 N N   . LYS B 1 9  ? 24.694 17.636 17.789  1.00 13.50  ? 8  LYS B N   1 
ATOM   327 C CA  . LYS B 1 9  ? 24.238 18.531 16.725  1.00 12.00  ? 8  LYS B CA  1 
ATOM   328 C C   . LYS B 1 9  ? 24.153 17.701 15.431  1.00 19.83  ? 8  LYS B C   1 
ATOM   329 O O   . LYS B 1 9  ? 23.155 17.708 14.751  1.00 13.26  ? 8  LYS B O   1 
ATOM   330 C CB  . LYS B 1 9  ? 25.131 19.780 16.594  1.00 14.47  ? 8  LYS B CB  1 
ATOM   331 C CG  . LYS B 1 9  ? 24.721 20.794 15.542  1.00 17.94  ? 8  LYS B CG  1 
ATOM   332 C CD  . LYS B 1 9  ? 23.557 21.613 16.053  1.00 21.55  ? 8  LYS B CD  1 
ATOM   333 C CE  . LYS B 1 9  ? 23.606 23.106 15.721  1.00 53.60  ? 8  LYS B CE  1 
ATOM   334 N NZ  . LYS B 1 9  ? 24.037 23.462 14.349  1.00 57.08  ? 8  LYS B NZ  1 
ATOM   335 N N   . VAL B 1 10 ? 25.183 16.917 15.092  1.00 8.78   ? 9  VAL B N   1 
ATOM   336 C CA  . VAL B 1 10 ? 25.105 16.054 13.903  1.00 18.10  ? 9  VAL B CA  1 
ATOM   337 C C   . VAL B 1 10 ? 23.811 15.090 13.929  1.00 24.27  ? 9  VAL B C   1 
ATOM   338 O O   . VAL B 1 10 ? 23.051 14.882 12.963  1.00 14.71  ? 9  VAL B O   1 
ATOM   339 C CB  . VAL B 1 10 ? 26.421 15.261 13.784  1.00 14.74  ? 9  VAL B CB  1 
ATOM   340 C CG1 . VAL B 1 10 ? 26.257 14.211 12.687  1.00 11.75  ? 9  VAL B CG1 1 
ATOM   341 C CG2 . VAL B 1 10 ? 27.625 16.190 13.547  1.00 12.78  ? 9  VAL B CG2 1 
ATOM   342 N N   . GLU B 1 11 ? 23.547 14.481 15.086  1.00 10.56  ? 10 GLU B N   1 
ATOM   343 C CA  . GLU B 1 11 ? 22.443 13.547 15.327  1.00 32.51  ? 10 GLU B CA  1 
ATOM   344 C C   . GLU B 1 11 ? 21.087 14.209 15.096  1.00 22.87  ? 10 GLU B C   1 
ATOM   345 O O   . GLU B 1 11 ? 20.123 13.658 14.524  1.00 16.03  ? 10 GLU B O   1 
ATOM   346 C CB  . GLU B 1 11 ? 22.632 12.983 16.766  1.00 9.29   ? 10 GLU B CB  1 
ATOM   347 C CG  . GLU B 1 11 ? 23.743 11.881 16.793  1.00 20.26  ? 10 GLU B CG  1 
ATOM   348 C CD  . GLU B 1 11 ? 24.213 11.536 18.207  1.00 43.33  ? 10 GLU B CD  1 
ATOM   349 O OE1 . GLU B 1 11 ? 23.576 11.787 19.173  1.00 27.42  ? 10 GLU B OE1 1 
ATOM   350 O OE2 . GLU B 1 11 ? 25.350 10.916 18.340  1.00 31.08  ? 10 GLU B OE2 1 
ATOM   351 N N   . GLU B 1 12 ? 21.060 15.443 15.564  1.00 11.39  ? 11 GLU B N   1 
ATOM   352 C CA  . GLU B 1 12 ? 19.886 16.305 15.475  1.00 12.26  ? 11 GLU B CA  1 
ATOM   353 C C   . GLU B 1 12 ? 19.639 16.719 14.026  1.00 9.18   ? 11 GLU B C   1 
ATOM   354 O O   . GLU B 1 12 ? 18.509 16.686 13.572  1.00 14.13  ? 11 GLU B O   1 
ATOM   355 C CB  . GLU B 1 12 ? 19.945 17.558 16.418  1.00 12.04  ? 11 GLU B CB  1 
ATOM   356 C CG  . GLU B 1 12 ? 19.650 17.275 17.933  1.00 43.36  ? 11 GLU B CG  1 
ATOM   357 C CD  . GLU B 1 12 ? 20.184 18.334 18.875  1.00 61.42  ? 11 GLU B CD  1 
ATOM   358 O OE1 . GLU B 1 12 ? 20.600 19.405 18.461  1.00 23.57  ? 11 GLU B OE1 1 
ATOM   359 O OE2 . GLU B 1 12 ? 20.079 18.022 20.165  1.00 40.28  ? 11 GLU B OE2 1 
ATOM   360 N N   . LEU B 1 13 ? 20.705 17.041 13.291  1.00 18.27  ? 12 LEU B N   1 
ATOM   361 C CA  . LEU B 1 13 ? 20.544 17.433 11.913  1.00 14.51  ? 12 LEU B CA  1 
ATOM   362 C C   . LEU B 1 13 ? 20.239 16.217 11.075  1.00 31.05  ? 12 LEU B C   1 
ATOM   363 O O   . LEU B 1 13 ? 19.438 16.324 10.204  1.00 12.10  ? 12 LEU B O   1 
ATOM   364 C CB  . LEU B 1 13 ? 21.746 18.207 11.326  1.00 7.13   ? 12 LEU B CB  1 
ATOM   365 C CG  . LEU B 1 13 ? 21.948 19.650 11.846  1.00 12.52  ? 12 LEU B CG  1 
ATOM   366 C CD1 . LEU B 1 13 ? 23.227 20.237 11.284  1.00 14.19  ? 12 LEU B CD1 1 
ATOM   367 C CD2 . LEU B 1 13 ? 20.866 20.589 11.362  1.00 19.31  ? 12 LEU B CD2 1 
ATOM   368 N N   . LEU B 1 14 ? 20.867 15.066 11.318  1.00 10.04  ? 13 LEU B N   1 
ATOM   369 C CA  . LEU B 1 14 ? 20.571 13.868 10.533  1.00 14.06  ? 13 LEU B CA  1 
ATOM   370 C C   . LEU B 1 14 ? 19.062 13.503 10.606  1.00 16.36  ? 13 LEU B C   1 
ATOM   371 O O   . LEU B 1 14 ? 18.459 13.068 9.608   1.00 19.80  ? 13 LEU B O   1 
ATOM   372 C CB  . LEU B 1 14 ? 21.373 12.654 11.137  1.00 14.28  ? 13 LEU B CB  1 
ATOM   373 C CG  . LEU B 1 14 ? 21.334 11.293 10.377  1.00 22.23  ? 13 LEU B CG  1 
ATOM   374 C CD1 . LEU B 1 14 ? 21.399 11.452 8.873   1.00 13.76  ? 13 LEU B CD1 1 
ATOM   375 C CD2 . LEU B 1 14 ? 22.286 10.187 10.906  1.00 21.56  ? 13 LEU B CD2 1 
ATOM   376 N N   . SER B 1 15 ? 18.485 13.585 11.833  1.00 10.45  ? 14 SER B N   1 
ATOM   377 C CA  . SER B 1 15 ? 17.111 13.216 12.102  1.00 19.61  ? 14 SER B CA  1 
ATOM   378 C C   . SER B 1 15 ? 16.186 14.162 11.362  1.00 13.03  ? 14 SER B C   1 
ATOM   379 O O   . SER B 1 15 ? 15.260 13.708 10.735  1.00 18.57  ? 14 SER B O   1 
ATOM   380 C CB  . SER B 1 15 ? 16.884 13.161 13.592  1.00 15.24  ? 14 SER B CB  1 
ATOM   381 O OG  . SER B 1 15 ? 15.513 13.172 13.855  1.00 33.14  ? 14 SER B OG  1 
ATOM   382 N N   . LYS B 1 16 ? 16.575 15.456 11.312  1.00 17.64  ? 15 LYS B N   1 
ATOM   383 C CA  . LYS B 1 16 ? 15.861 16.514 10.598  1.00 19.69  ? 15 LYS B CA  1 
ATOM   384 C C   . LYS B 1 16 ? 15.868 16.295 9.078   1.00 23.46  ? 15 LYS B C   1 
ATOM   385 O O   . LYS B 1 16 ? 14.853 16.403 8.390   1.00 12.50  ? 15 LYS B O   1 
ATOM   386 C CB  . LYS B 1 16 ? 16.356 17.890 10.973  1.00 15.08  ? 15 LYS B CB  1 
ATOM   387 C CG  . LYS B 1 16 ? 15.713 18.902 10.088  1.00 22.30  ? 15 LYS B CG  1 
ATOM   388 C CD  . LYS B 1 16 ? 15.807 20.243 10.728  1.00 26.89  ? 15 LYS B CD  1 
ATOM   389 C CE  . LYS B 1 16 ? 15.131 21.303 9.908   1.00 43.30  ? 15 LYS B CE  1 
ATOM   390 N NZ  . LYS B 1 16 ? 15.300 22.630 10.506  1.00 71.62  ? 15 LYS B NZ  1 
HETATM 391 N N   . ABA B 1 17 ? 17.045 15.946 8.562   1.00 20.00  ? 16 ABA B N   1 
HETATM 392 C CA  . ABA B 1 17 ? 17.279 15.620 7.139   1.00 10.83  ? 16 ABA B CA  1 
HETATM 393 C C   . ABA B 1 17 ? 16.381 14.403 6.741   1.00 34.15  ? 16 ABA B C   1 
HETATM 394 O O   . ABA B 1 17 ? 15.789 14.377 5.695   1.00 14.60  ? 16 ABA B O   1 
HETATM 395 C CB  . ABA B 1 17 ? 18.821 15.356 6.901   1.00 13.95  ? 16 ABA B CB  1 
HETATM 396 C CG  . ABA B 1 17 ? 19.362 15.045 5.474   1.00 26.37  ? 16 ABA B CG  1 
ATOM   397 N N   . TYR B 1 18 ? 16.260 13.360 7.576   1.00 13.35  ? 17 TYR B N   1 
ATOM   398 C CA  . TYR B 1 18 ? 15.431 12.163 7.269   1.00 19.81  ? 17 TYR B CA  1 
ATOM   399 C C   . TYR B 1 18 ? 13.959 12.532 7.320   1.00 15.25  ? 17 TYR B C   1 
ATOM   400 O O   . TYR B 1 18 ? 13.118 12.019 6.592   1.00 21.68  ? 17 TYR B O   1 
ATOM   401 C CB  . TYR B 1 18 ? 15.662 11.055 8.331   1.00 15.07  ? 17 TYR B CB  1 
ATOM   402 C CG  . TYR B 1 18 ? 16.918 10.274 8.100   1.00 6.97   ? 17 TYR B CG  1 
ATOM   403 C CD1 . TYR B 1 18 ? 17.483 10.238 6.845   1.00 13.55  ? 17 TYR B CD1 1 
ATOM   404 C CD2 . TYR B 1 18 ? 17.560 9.545  9.121   1.00 11.91  ? 17 TYR B CD2 1 
ATOM   405 C CE1 . TYR B 1 18 ? 18.627 9.511  6.506   1.00 43.94  ? 17 TYR B CE1 1 
ATOM   406 C CE2 . TYR B 1 18 ? 18.699 8.823  8.804   1.00 6.33   ? 17 TYR B CE2 1 
ATOM   407 C CZ  . TYR B 1 18 ? 19.243 8.787  7.518   1.00 19.41  ? 17 TYR B CZ  1 
ATOM   408 O OH  . TYR B 1 18 ? 20.411 8.130  7.243   1.00 35.99  ? 17 TYR B OH  1 
ATOM   409 N N   . HIS B 1 19 ? 13.642 13.424 8.243   1.00 14.40  ? 18 HIS B N   1 
ATOM   410 C CA  . HIS B 1 19 ? 12.279 13.884 8.345   1.00 18.21  ? 18 HIS B CA  1 
ATOM   411 C C   . HIS B 1 19 ? 11.899 14.600 7.032   1.00 32.91  ? 18 HIS B C   1 
ATOM   412 O O   . HIS B 1 19 ? 10.791 14.513 6.461   1.00 21.67  ? 18 HIS B O   1 
ATOM   413 C CB  . HIS B 1 19 ? 12.065 14.883 9.522   1.00 34.92  ? 18 HIS B CB  1 
ATOM   414 C CG  . HIS B 1 19 ? 10.685 15.475 9.433   1.00 47.83  ? 18 HIS B CG  1 
ATOM   415 N ND1 . HIS B 1 19 ? 10.446 16.827 9.177   1.00 46.06  ? 18 HIS B ND1 1 
ATOM   416 C CD2 . HIS B 1 19 ? 9.482  14.840 9.487   1.00 33.49  ? 18 HIS B CD2 1 
ATOM   417 C CE1 . HIS B 1 19 ? 9.121  16.971 9.112   1.00 25.28  ? 18 HIS B CE1 1 
ATOM   418 N NE2 . HIS B 1 19 ? 8.516  15.799 9.308   1.00 51.44  ? 18 HIS B NE2 1 
ATOM   419 N N   . LEU B 1 20 ? 12.822 15.399 6.564   1.00 13.91  ? 19 LEU B N   1 
ATOM   420 C CA  . LEU B 1 20 ? 12.526 16.121 5.358   1.00 16.10  ? 19 LEU B CA  1 
ATOM   421 C C   . LEU B 1 20 ? 12.571 15.195 4.160   1.00 30.25  ? 19 LEU B C   1 
ATOM   422 O O   . LEU B 1 20 ? 11.834 15.338 3.222   1.00 22.57  ? 19 LEU B O   1 
ATOM   423 C CB  . LEU B 1 20 ? 13.469 17.288 5.135   1.00 13.38  ? 19 LEU B CB  1 
ATOM   424 C CG  . LEU B 1 20 ? 13.364 18.388 6.187   1.00 15.10  ? 19 LEU B CG  1 
ATOM   425 C CD1 . LEU B 1 20 ? 14.613 19.211 6.028   1.00 20.49  ? 19 LEU B CD1 1 
ATOM   426 C CD2 . LEU B 1 20 ? 12.178 19.332 5.962   1.00 17.25  ? 19 LEU B CD2 1 
ATOM   427 N N   . GLU B 1 21 ? 13.466 14.247 4.138   1.00 16.94  ? 20 GLU B N   1 
ATOM   428 C CA  . GLU B 1 21 ? 13.485 13.339 3.006   1.00 18.63  ? 20 GLU B CA  1 
ATOM   429 C C   . GLU B 1 21 ? 12.119 12.625 2.904   1.00 30.97  ? 20 GLU B C   1 
ATOM   430 O O   . GLU B 1 21 ? 11.470 12.446 1.858   1.00 21.79  ? 20 GLU B O   1 
ATOM   431 C CB  . GLU B 1 21 ? 14.641 12.329 3.224   1.00 17.20  ? 20 GLU B CB  1 
ATOM   432 C CG  . GLU B 1 21 ? 15.959 13.002 2.824   1.00 15.97  ? 20 GLU B CG  1 
ATOM   433 C CD  . GLU B 1 21 ? 17.113 12.118 3.075   1.00 76.32  ? 20 GLU B CD  1 
ATOM   434 O OE1 . GLU B 1 21 ? 16.967 10.996 3.462   1.00 51.10  ? 20 GLU B OE1 1 
ATOM   435 O OE2 . GLU B 1 21 ? 18.271 12.664 2.827   1.00 44.38  ? 20 GLU B OE2 1 
ATOM   436 N N   . ASN B 1 22 ? 11.679 12.157 4.041   1.00 16.46  ? 21 ASN B N   1 
ATOM   437 C CA  . ASN B 1 22 ? 10.420 11.427 4.057   1.00 32.24  ? 21 ASN B CA  1 
ATOM   438 C C   . ASN B 1 22 ? 9.281  12.287 3.469   1.00 40.68  ? 21 ASN B C   1 
ATOM   439 O O   . ASN B 1 22 ? 8.412  11.896 2.657   1.00 21.38  ? 21 ASN B O   1 
ATOM   440 C CB  . ASN B 1 22 ? 10.066 10.883 5.488   1.00 25.73  ? 21 ASN B CB  1 
ATOM   441 C CG  . ASN B 1 22 ? 11.057 9.924  6.126   1.00 15.70  ? 21 ASN B CG  1 
ATOM   442 O OD1 . ASN B 1 22 ? 11.970 9.438  5.471   1.00 27.40  ? 21 ASN B OD1 1 
ATOM   443 N ND2 . ASN B 1 22 ? 10.940 9.766  7.435   1.00 20.99  ? 21 ASN B ND2 1 
ATOM   444 N N   . GLU B 1 23 ? 9.285  13.489 3.978   1.00 21.00  ? 22 GLU B N   1 
ATOM   445 C CA  . GLU B 1 23 ? 8.322  14.473 3.613   1.00 22.40  ? 22 GLU B CA  1 
ATOM   446 C C   . GLU B 1 23 ? 8.298  14.740 2.128   1.00 29.03  ? 22 GLU B C   1 
ATOM   447 O O   . GLU B 1 23 ? 7.224  14.712 1.571   1.00 29.31  ? 22 GLU B O   1 
ATOM   448 C CB  . GLU B 1 23 ? 8.380  15.739 4.511   1.00 14.45  ? 22 GLU B CB  1 
ATOM   449 C CG  . GLU B 1 23 ? 7.490  16.927 4.089   1.00 24.49  ? 22 GLU B CG  1 
ATOM   450 C CD  . GLU B 1 23 ? 7.818  18.157 4.901   1.00 35.58  ? 22 GLU B CD  1 
ATOM   451 O OE1 . GLU B 1 23 ? 8.740  18.196 5.677   1.00 37.24  ? 22 GLU B OE1 1 
ATOM   452 O OE2 . GLU B 1 23 ? 7.028  19.177 4.699   1.00 37.00  ? 22 GLU B OE2 1 
ATOM   453 N N   . VAL B 1 24 ? 9.478  14.955 1.514   1.00 22.72  ? 23 VAL B N   1 
ATOM   454 C CA  . VAL B 1 24 ? 9.621  15.273 0.106   1.00 21.63  ? 23 VAL B CA  1 
ATOM   455 C C   . VAL B 1 24 ? 9.052  14.129 -0.673  1.00 57.88  ? 23 VAL B C   1 
ATOM   456 O O   . VAL B 1 24 ? 8.379  14.323 -1.659  1.00 34.37  ? 23 VAL B O   1 
ATOM   457 C CB  . VAL B 1 24 ? 11.091 15.617 -0.315  1.00 31.90  ? 23 VAL B CB  1 
ATOM   458 C CG1 . VAL B 1 24 ? 11.365 15.435 -1.817  1.00 18.30  ? 23 VAL B CG1 1 
ATOM   459 C CG2 . VAL B 1 24 ? 11.561 17.021 0.108   1.00 21.38  ? 23 VAL B CG2 1 
ATOM   460 N N   . ALA B 1 25 ? 9.322  12.926 -0.199  1.00 28.11  ? 24 ALA B N   1 
ATOM   461 C CA  . ALA B 1 25 ? 8.813  11.722 -0.828  1.00 30.42  ? 24 ALA B CA  1 
ATOM   462 C C   . ALA B 1 25 ? 7.262  11.651 -0.828  1.00 51.51  ? 24 ALA B C   1 
ATOM   463 O O   . ALA B 1 25 ? 6.683  11.186 -1.824  1.00 30.24  ? 24 ALA B O   1 
ATOM   464 C CB  . ALA B 1 25 ? 9.426  10.483 -0.188  1.00 24.72  ? 24 ALA B CB  1 
ATOM   465 N N   . ARG B 1 26 ? 6.590  12.110 0.280   1.00 27.31  ? 25 ARG B N   1 
ATOM   466 C CA  . ARG B 1 26 ? 5.113  12.104 0.388   1.00 26.34  ? 25 ARG B CA  1 
ATOM   467 C C   . ARG B 1 26 ? 4.504  13.019 -0.663  1.00 41.00  ? 25 ARG B C   1 
ATOM   468 O O   . ARG B 1 26 ? 3.675  12.626 -1.482  1.00 31.80  ? 25 ARG B O   1 
ATOM   469 C CB  . ARG B 1 26 ? 4.615  12.568 1.750   1.00 30.50  ? 25 ARG B CB  1 
ATOM   470 C CG  . ARG B 1 26 ? 4.530  11.439 2.777   1.00 51.75  ? 25 ARG B CG  1 
ATOM   471 C CD  . ARG B 1 26 ? 3.942  11.840 4.143   1.00 38.39  ? 25 ARG B CD  1 
ATOM   472 N NE  . ARG B 1 26 ? 4.977  12.296 5.124   1.00 100.00 ? 25 ARG B NE  1 
ATOM   473 C CZ  . ARG B 1 26 ? 4.812  13.294 6.050   1.00 100.00 ? 25 ARG B CZ  1 
ATOM   474 N NH1 . ARG B 1 26 ? 3.638  13.923 6.120   1.00 65.30  ? 25 ARG B NH1 1 
ATOM   475 N NH2 . ARG B 1 26 ? 5.814  13.666 6.924   1.00 41.31  ? 25 ARG B NH2 1 
ATOM   476 N N   . LEU B 1 27 ? 4.969  14.273 -0.614  1.00 31.92  ? 26 LEU B N   1 
ATOM   477 C CA  . LEU B 1 27 ? 4.593  15.402 -1.514  1.00 31.24  ? 26 LEU B CA  1 
ATOM   478 C C   . LEU B 1 27 ? 4.744  15.100 -2.986  1.00 24.94  ? 26 LEU B C   1 
ATOM   479 O O   . LEU B 1 27 ? 3.975  15.545 -3.854  1.00 28.85  ? 26 LEU B O   1 
ATOM   480 C CB  . LEU B 1 27 ? 5.411  16.730 -1.282  1.00 21.87  ? 26 LEU B CB  1 
ATOM   481 C CG  . LEU B 1 27 ? 5.097  17.421 0.078   1.00 29.69  ? 26 LEU B CG  1 
ATOM   482 C CD1 . LEU B 1 27 ? 6.004  18.568 0.519   1.00 26.52  ? 26 LEU B CD1 1 
ATOM   483 C CD2 . LEU B 1 27 ? 3.655  17.858 0.252   1.00 55.10  ? 26 LEU B CD2 1 
ATOM   484 N N   . LYS B 1 28 ? 5.838  14.453 -3.273  1.00 26.97  ? 27 LYS B N   1 
ATOM   485 C CA  . LYS B 1 28 ? 6.133  14.130 -4.639  1.00 28.74  ? 27 LYS B CA  1 
ATOM   486 C C   . LYS B 1 28 ? 5.074  13.137 -5.128  1.00 65.71  ? 27 LYS B C   1 
ATOM   487 O O   . LYS B 1 28 ? 4.491  13.294 -6.188  1.00 43.91  ? 27 LYS B O   1 
ATOM   488 C CB  . LYS B 1 28 ? 7.548  13.569 -4.805  1.00 41.72  ? 27 LYS B CB  1 
ATOM   489 C CG  . LYS B 1 28 ? 8.635  14.520 -5.310  1.00 36.32  ? 27 LYS B CG  1 
ATOM   490 C CD  . LYS B 1 28 ? 10.039 13.998 -4.977  1.00 41.71  ? 27 LYS B CD  1 
ATOM   491 C CE  . LYS B 1 28 ? 10.977 13.898 -6.172  1.00 75.55  ? 27 LYS B CE  1 
ATOM   492 N NZ  . LYS B 1 28 ? 11.742 15.132 -6.413  1.00 95.78  ? 27 LYS B NZ  1 
ATOM   493 N N   . LYS B 1 29 ? 4.821  12.094 -4.333  1.00 39.15  ? 28 LYS B N   1 
ATOM   494 C CA  . LYS B 1 29 ? 3.806  11.102 -4.654  1.00 44.56  ? 28 LYS B CA  1 
ATOM   495 C C   . LYS B 1 29 ? 2.482  11.829 -4.742  1.00 54.62  ? 28 LYS B C   1 
ATOM   496 O O   . LYS B 1 29 ? 1.768  11.731 -5.731  1.00 93.25  ? 28 LYS B O   1 
ATOM   497 C CB  . LYS B 1 29 ? 3.722  10.038 -3.574  1.00 37.86  ? 28 LYS B CB  1 
ATOM   498 C CG  . LYS B 1 29 ? 2.722  8.933  -3.859  1.00 60.30  ? 28 LYS B CG  1 
ATOM   499 C CD  . LYS B 1 29 ? 2.767  7.822  -2.817  1.00 73.11  ? 28 LYS B CD  1 
ATOM   500 C CE  . LYS B 1 29 ? 1.654  6.796  -3.013  1.00 98.31  ? 28 LYS B CE  1 
ATOM   501 N NZ  . LYS B 1 29 ? 1.585  5.757  -1.966  1.00 100.00 ? 28 LYS B NZ  1 
ATOM   502 N N   . LEU B 1 30 ? 2.167  12.619 -3.722  1.00 37.12  ? 29 LEU B N   1 
ATOM   503 C CA  . LEU B 1 30 ? 0.933  13.353 -3.790  1.00 28.29  ? 29 LEU B CA  1 
ATOM   504 C C   . LEU B 1 30 ? 0.811  14.200 -5.072  1.00 38.60  ? 29 LEU B C   1 
ATOM   505 O O   . LEU B 1 30 ? -0.275 14.389 -5.567  1.00 60.63  ? 29 LEU B O   1 
ATOM   506 C CB  . LEU B 1 30 ? 0.670  14.189 -2.500  1.00 25.29  ? 29 LEU B CB  1 
ATOM   507 C CG  . LEU B 1 30 ? -0.478 15.218 -2.617  1.00 26.45  ? 29 LEU B CG  1 
ATOM   508 C CD1 . LEU B 1 30 ? -1.700 14.691 -1.929  1.00 34.00  ? 29 LEU B CD1 1 
ATOM   509 C CD2 . LEU B 1 30 ? -0.220 16.541 -1.912  1.00 34.33  ? 29 LEU B CD2 1 
ATOM   510 N N   . VAL B 1 31 ? 1.908  14.716 -5.635  1.00 48.03  ? 30 VAL B N   1 
ATOM   511 C CA  . VAL B 1 31 ? 1.802  15.621 -6.784  1.00 37.37  ? 30 VAL B CA  1 
ATOM   512 C C   . VAL B 1 31 ? 2.213  15.135 -8.161  1.00 78.45  ? 30 VAL B C   1 
ATOM   513 O O   . VAL B 1 31 ? 2.261  15.942 -9.099  1.00 47.93  ? 30 VAL B O   1 
ATOM   514 C CB  . VAL B 1 31 ? 2.383  17.039 -6.533  1.00 34.14  ? 30 VAL B CB  1 
ATOM   515 C CG1 . VAL B 1 31 ? 1.997  17.594 -5.196  1.00 32.72  ? 30 VAL B CG1 1 
ATOM   516 C CG2 . VAL B 1 31 ? 3.892  17.039 -6.508  1.00 37.85  ? 30 VAL B CG2 1 
ATOM   517 N N   . GLY B 1 32 ? 2.514  13.864 -8.363  1.00 38.61  ? 31 GLY B N   1 
ATOM   518 C CA  . GLY B 1 32 ? 2.874  13.589 -9.744  1.00 58.54  ? 31 GLY B CA  1 
ATOM   519 C C   . GLY B 1 32 ? 3.527  12.248 -9.996  1.00 60.17  ? 31 GLY B C   1 
ATOM   520 O O   . GLY B 1 32 ? 4.039  12.004 -11.097 1.00 62.72  ? 31 GLY B O   1 
HETATM 521 O O   . HOH C 2 .  ? 25.841 18.753 1.392   1.00 29.36  ? 50 HOH A O   1 
HETATM 522 O O   . HOH C 2 .  ? 26.662 24.603 5.390   1.00 43.27  ? 51 HOH A O   1 
HETATM 523 O O   . HOH C 2 .  ? 22.150 23.305 0.157   1.00 33.47  ? 52 HOH A O   1 
HETATM 524 O O   . HOH C 2 .  ? 22.651 26.217 1.024   1.00 26.70  ? 53 HOH A O   1 
HETATM 525 O O   . HOH C 2 .  ? 33.719 24.739 16.631  1.00 46.19  ? 57 HOH A O   1 
HETATM 526 O O   . HOH C 2 .  ? 17.260 27.780 9.922   1.00 18.27  ? 58 HOH A O   1 
HETATM 527 O O   . HOH C 2 .  ? 33.381 15.541 8.403   1.00 21.66  ? 63 HOH A O   1 
HETATM 528 O O   . HOH C 2 .  ? 19.948 23.593 -3.097  1.00 50.66  ? 64 HOH A O   1 
HETATM 529 O O   . HOH C 2 .  ? 20.101 20.414 -7.784  1.00 30.83  ? 68 HOH A O   1 
HETATM 530 O O   . HOH C 2 .  ? 8.039  25.026 3.388   1.00 57.83  ? 70 HOH A O   1 
HETATM 531 O O   . HOH C 2 .  ? 8.300  20.558 -12.139 1.00 50.87  ? 74 HOH A O   1 
HETATM 532 O O   . HOH C 2 .  ? 0.260  20.222 -10.640 1.00 50.06  ? 81 HOH A O   1 
HETATM 533 O O   . HOH C 2 .  ? 6.569  27.183 -0.699  1.00 47.48  ? 84 HOH A O   1 
HETATM 534 O O   . HOH C 2 .  ? 18.163 15.608 -4.065  1.00 30.29  ? 87 HOH A O   1 
HETATM 535 O O   . HOH C 2 .  ? 22.147 12.163 5.361   1.00 39.73  ? 88 HOH A O   1 
HETATM 536 O O   . HOH C 2 .  ? 4.808  22.702 -13.571 1.00 36.12  ? 94 HOH A O   1 
HETATM 537 O O   . HOH C 2 .  ? 1.981  25.943 -9.601  1.00 51.89  ? 95 HOH A O   1 
HETATM 538 O O   . HOH C 2 .  ? 12.204 25.972 -3.211  1.00 44.01  ? 96 HOH A O   1 
HETATM 539 O O   . HOH C 2 .  ? 40.572 18.731 14.913  1.00 34.87  ? 97 HOH A O   1 
HETATM 540 O O   . HOH C 2 .  ? 14.183 25.553 -5.172  1.00 53.10  ? 98 HOH A O   1 
HETATM 541 O O   . HOH D 2 .  ? 21.390 14.705 19.931  1.00 44.22  ? 54 HOH B O   1 
HETATM 542 O O   . HOH D 2 .  ? 19.946 11.036 14.392  1.00 34.67  ? 55 HOH B O   1 
HETATM 543 O O   . HOH D 2 .  ? 8.887  11.447 9.135   1.00 27.12  ? 56 HOH B O   1 
HETATM 544 O O   . HOH D 2 .  ? 22.081 19.684 21.788  1.00 28.11  ? 59 HOH B O   1 
HETATM 545 O O   . HOH D 2 .  ? 12.535 12.485 11.570  1.00 48.68  ? 60 HOH B O   1 
HETATM 546 O O   . HOH D 2 .  ? 21.767 8.738  5.344   1.00 34.64  ? 61 HOH B O   1 
HETATM 547 O O   . HOH D 2 .  ? 33.815 16.110 25.314  1.00 41.15  ? 62 HOH B O   1 
HETATM 548 O O   . HOH D 2 .  ? 13.717 15.211 14.012  1.00 49.59  ? 65 HOH B O   1 
HETATM 549 O O   . HOH D 2 .  ? 27.892 13.068 22.698  1.00 43.67  ? 66 HOH B O   1 
HETATM 550 O O   . HOH D 2 .  ? 24.311 21.670 20.288  1.00 50.62  ? 67 HOH B O   1 
HETATM 551 O O   . HOH D 2 .  ? 34.487 23.543 20.255  1.00 52.37  ? 69 HOH B O   1 
HETATM 552 O O   . HOH D 2 .  ? 10.898 23.137 5.892   1.00 42.85  ? 71 HOH B O   1 
HETATM 553 O O   . HOH D 2 .  ? 6.984  12.532 -9.426  1.00 50.87  ? 72 HOH B O   1 
HETATM 554 O O   . HOH D 2 .  ? 0.834  9.993  2.757   1.00 40.86  ? 73 HOH B O   1 
HETATM 555 O O   . HOH D 2 .  ? 23.437 25.442 13.418  1.00 49.17  ? 75 HOH B O   1 
HETATM 556 O O   . HOH D 2 .  ? 2.806  18.347 -12.156 1.00 52.46  ? 76 HOH B O   1 
HETATM 557 O O   . HOH D 2 .  ? 27.788 22.830 18.231  1.00 40.24  ? 77 HOH B O   1 
HETATM 558 O O   . HOH D 2 .  ? 22.014 25.513 18.354  1.00 42.52  ? 78 HOH B O   1 
HETATM 559 O O   . HOH D 2 .  ? 16.067 17.281 14.910  1.00 34.98  ? 79 HOH B O   1 
HETATM 560 O O   . HOH D 2 .  ? 8.065  7.279  6.188   1.00 59.38  ? 80 HOH B O   1 
HETATM 561 O O   . HOH D 2 .  ? 19.624 20.801 15.593  1.00 43.84  ? 82 HOH B O   1 
HETATM 562 O O   . HOH D 2 .  ? 37.807 23.068 19.913  1.00 50.67  ? 83 HOH B O   1 
HETATM 563 O O   . HOH D 2 .  ? 12.787 12.095 -0.278  1.00 42.28  ? 85 HOH B O   1 
HETATM 564 O O   . HOH D 2 .  ? 11.997 10.571 -3.137  1.00 47.59  ? 86 HOH B O   1 
HETATM 565 O O   . HOH D 2 .  ? 18.343 23.389 10.552  1.00 41.63  ? 89 HOH B O   1 
HETATM 566 O O   . HOH D 2 .  ? -1.600 11.053 -6.786  1.00 60.09  ? 90 HOH B O   1 
HETATM 567 O O   . HOH D 2 .  ? 29.773 15.868 27.914  1.00 39.71  ? 91 HOH B O   1 
HETATM 568 O O   . HOH D 2 .  ? 8.665  20.897 6.412   1.00 49.20  ? 92 HOH B O   1 
HETATM 569 O O   . HOH D 2 .  ? 3.390  17.222 3.484   1.00 41.86  ? 93 HOH B O   1 
HETATM 570 O O   . HOH D 2 .  ? 27.256 12.440 25.609  1.00 49.53  ? 99 HOH B 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  ARG 2  1  1  ARG ARG A . n 
A 1 3  MET 3  2  2  MET MET A . n 
A 1 4  LYS 4  3  3  LYS LYS A . n 
A 1 5  GLN 5  4  4  GLN GLN 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  ASP 8  7  7  ASP ASP 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 GLU 11 10 10 GLU GLU A . n 
A 1 12 GLU 12 11 11 GLU GLU A . n 
A 1 13 LEU 13 12 12 LEU LEU A . n 
A 1 14 LEU 14 13 13 LEU LEU 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 ABA 17 16 16 ABA ABA A . n 
A 1 18 TYR 18 17 17 TYR TYR A . n 
A 1 19 HIS 19 18 18 HIS HIS 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 ASN 22 21 21 ASN ASN A . n 
A 1 23 GLU 23 22 22 GLU GLU A . n 
A 1 24 VAL 24 23 23 VAL VAL A . n 
A 1 25 ALA 25 24 24 ALA ALA A . n 
A 1 26 ARG 26 25 25 ARG ARG A . n 
A 1 27 LEU 27 26 26 LEU LEU A . n 
A 1 28 LYS 28 27 27 LYS LYS A . n 
A 1 29 LYS 29 28 28 LYS LYS A . n 
A 1 30 LEU 30 29 29 LEU LEU A . n 
A 1 31 VAL 31 30 30 VAL VAL A . n 
A 1 32 GLY 32 31 31 GLY GLY A . n 
A 1 33 GLU 33 32 ?  ?   ?   A . n 
A 1 34 ARG 34 33 ?  ?   ?   A . n 
B 1 1  ACE 1  0  0  ACE ACE B . n 
B 1 2  ARG 2  1  1  ARG ARG B . n 
B 1 3  MET 3  2  2  MET MET B . n 
B 1 4  LYS 4  3  3  LYS LYS B . n 
B 1 5  GLN 5  4  4  GLN GLN B . n 
B 1 6  LEU 6  5  5  LEU LEU B . n 
B 1 7  GLU 7  6  6  GLU GLU B . n 
B 1 8  ASP 8  7  7  ASP ASP B . n 
B 1 9  LYS 9  8  8  LYS LYS B . n 
B 1 10 VAL 10 9  9  VAL VAL B . n 
B 1 11 GLU 11 10 10 GLU GLU B . n 
B 1 12 GLU 12 11 11 GLU GLU B . n 
B 1 13 LEU 13 12 12 LEU LEU B . n 
B 1 14 LEU 14 13 13 LEU LEU B . n 
B 1 15 SER 15 14 14 SER SER B . n 
B 1 16 LYS 16 15 15 LYS LYS B . n 
B 1 17 ABA 17 16 16 ABA ABA B . n 
B 1 18 TYR 18 17 17 TYR TYR B . n 
B 1 19 HIS 19 18 18 HIS HIS B . n 
B 1 20 LEU 20 19 19 LEU LEU B . n 
B 1 21 GLU 21 20 20 GLU GLU B . n 
B 1 22 ASN 22 21 21 ASN ASN B . n 
B 1 23 GLU 23 22 22 GLU GLU B . n 
B 1 24 VAL 24 23 23 VAL VAL B . n 
B 1 25 ALA 25 24 24 ALA ALA B . n 
B 1 26 ARG 26 25 25 ARG ARG B . n 
B 1 27 LEU 27 26 26 LEU LEU B . n 
B 1 28 LYS 28 27 27 LYS LYS B . n 
B 1 29 LYS 29 28 28 LYS LYS B . n 
B 1 30 LEU 30 29 29 LEU LEU B . n 
B 1 31 VAL 31 30 30 VAL VAL B . n 
B 1 32 GLY 32 31 31 GLY GLY B . n 
B 1 33 GLU 33 32 ?  ?   ?   B . n 
B 1 34 ARG 34 33 ?  ?   ?   B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 HOH 1  50 50 HOH HOH A . 
C 2 HOH 2  51 51 HOH HOH A . 
C 2 HOH 3  52 52 HOH HOH A . 
C 2 HOH 4  53 53 HOH HOH A . 
C 2 HOH 5  57 57 HOH HOH A . 
C 2 HOH 6  58 58 HOH HOH A . 
C 2 HOH 7  63 63 HOH HOH A . 
C 2 HOH 8  64 64 HOH HOH A . 
C 2 HOH 9  68 68 HOH HOH A . 
C 2 HOH 10 70 70 HOH HOH A . 
C 2 HOH 11 74 74 HOH HOH A . 
C 2 HOH 12 81 81 HOH HOH A . 
C 2 HOH 13 84 84 HOH HOH A . 
C 2 HOH 14 87 87 HOH HOH A . 
C 2 HOH 15 88 88 HOH HOH A . 
C 2 HOH 16 94 94 HOH HOH A . 
C 2 HOH 17 95 95 HOH HOH A . 
C 2 HOH 18 96 96 HOH HOH A . 
C 2 HOH 19 97 97 HOH HOH A . 
C 2 HOH 20 98 98 HOH HOH A . 
D 2 HOH 1  54 54 HOH HOH B . 
D 2 HOH 2  55 55 HOH HOH B . 
D 2 HOH 3  56 56 HOH HOH B . 
D 2 HOH 4  59 59 HOH HOH B . 
D 2 HOH 5  60 60 HOH HOH B . 
D 2 HOH 6  61 61 HOH HOH B . 
D 2 HOH 7  62 62 HOH HOH B . 
D 2 HOH 8  65 65 HOH HOH B . 
D 2 HOH 9  66 66 HOH HOH B . 
D 2 HOH 10 67 67 HOH HOH B . 
D 2 HOH 11 69 69 HOH HOH B . 
D 2 HOH 12 71 71 HOH HOH B . 
D 2 HOH 13 72 72 HOH HOH B . 
D 2 HOH 14 73 73 HOH HOH B . 
D 2 HOH 15 75 75 HOH HOH B . 
D 2 HOH 16 76 76 HOH HOH B . 
D 2 HOH 17 77 77 HOH HOH B . 
D 2 HOH 18 78 78 HOH HOH B . 
D 2 HOH 19 79 79 HOH HOH B . 
D 2 HOH 20 80 80 HOH HOH B . 
D 2 HOH 21 82 82 HOH HOH B . 
D 2 HOH 22 83 83 HOH HOH B . 
D 2 HOH 23 85 85 HOH HOH B . 
D 2 HOH 24 86 86 HOH HOH B . 
D 2 HOH 25 89 89 HOH HOH B . 
D 2 HOH 26 90 90 HOH HOH B . 
D 2 HOH 27 91 91 HOH HOH B . 
D 2 HOH 28 92 92 HOH HOH B . 
D 2 HOH 29 93 93 HOH HOH B . 
D 2 HOH 30 99 99 HOH HOH B . 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 A ABA 17 A ABA 16 ? ALA 'ALPHA-AMINOBUTYRIC ACID' 
2 B ABA 17 B ABA 16 ? ALA 'ALPHA-AMINOBUTYRIC ACID' 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_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)' 2090 ? 
1 MORE         -23  ? 
1 'SSA (A^2)'  4820 ? 
# 
_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_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 1997-07-07 
2 'Structure model' 1 1 2008-03-03 
3 'Structure model' 1 2 2011-07-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Version format compliance' 
2 3 'Structure model' 'Version format compliance' 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
TNT    refinement       . ? 1 
R-AXIS 'data reduction' . ? 2 
R-AXIS 'data scaling'   . ? 3 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    6 
_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    57 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.16 
# 
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 O   A HOH 81 ? ? 1_555 O   A HOH 81 ? ? 2_554 1.51 
2 1 NH2 A ARG 1  ? ? 1_555 OD1 A ASN 21 ? ? 4_546 2.17 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 CD A GLU 11 ? ? OE1 A GLU 11 ? ? 1.170 1.252 -0.082 0.011 N 
2 1 CD A GLU 20 ? ? OE1 A GLU 20 ? ? 1.180 1.252 -0.072 0.011 N 
3 1 CD A GLU 22 ? ? OE1 A GLU 22 ? ? 1.320 1.252 0.068  0.011 N 
4 1 CD B GLU 10 ? ? OE1 B GLU 10 ? ? 1.184 1.252 -0.068 0.011 N 
5 1 CD B GLU 11 ? ? OE2 B GLU 11 ? ? 1.331 1.252 0.079  0.011 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NH1 A ARG 1  ? ? CZ A ARG 1  ? ? NH2 A ARG 1  ? ? 112.00 119.40 -7.40 1.10 N 
2 1 NE  A ARG 1  ? ? CZ A ARG 1  ? ? NH1 A ARG 1  ? ? 126.44 120.30 6.14  0.50 N 
3 1 CB  A ASP 7  ? ? CG A ASP 7  ? ? OD2 A ASP 7  ? ? 112.79 118.30 -5.51 0.90 N 
4 1 NE  A ARG 25 ? ? CZ A ARG 25 ? ? NH1 A ARG 25 ? ? 124.70 120.30 4.40  0.50 N 
5 1 NE  A ARG 25 ? ? CZ A ARG 25 ? ? NH2 A ARG 25 ? ? 116.81 120.30 -3.49 0.50 N 
6 1 C   B ACE 0  ? ? N  B ARG 1  ? ? CA  B ARG 1  ? ? 147.37 121.70 25.67 2.50 Y 
7 1 CB  B ASP 7  ? ? CG B ASP 7  ? ? OD1 B ASP 7  ? ? 123.99 118.30 5.69  0.90 N 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A GLU 32 ? A GLU 33 
2 1 Y 1 A ARG 33 ? A ARG 34 
3 1 Y 1 B GLU 32 ? B GLU 33 
4 1 Y 1 B ARG 33 ? B ARG 34 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
