data_5E0Y
# 
_entry.id   5E0Y 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.387 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   5E0Y         pdb_00005e0y 10.2210/pdb5e0y/pdb 
WWPDB D_1000214028 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 "Structure model" 1 0 2016-09-14 
2 "Structure model" 1 1 2016-09-21 
3 "Structure model" 1 2 2016-11-09 
4 "Structure model" 1 3 2017-09-13 
5 "Structure model" 1 4 2019-12-25 
6 "Structure model" 1 5 2024-03-06 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   "Structure model" 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                "Initial release" 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
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" "Database references"        
2 3 "Structure model" "Database references"        
3 4 "Structure model" "Author supporting evidence" 
4 4 "Structure model" "Database references"        
5 4 "Structure model" "Derived calculations"       
6 5 "Structure model" "Author supporting evidence" 
7 6 "Structure model" "Data collection"            
8 6 "Structure model" "Database references"        
9 6 "Structure model" "Derived calculations"       
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 4 "Structure model" citation               
2 4 "Structure model" pdbx_audit_support     
3 4 "Structure model" pdbx_struct_oper_list  
4 5 "Structure model" pdbx_audit_support     
5 6 "Structure model" chem_comp_atom         
6 6 "Structure model" chem_comp_bond         
7 6 "Structure model" database_2             
8 6 "Structure model" pdbx_struct_conn_angle 
9 6 "Structure model" struct_conn            
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  4 "Structure model" "_citation.journal_id_CSD"                    
2  4 "Structure model" "_pdbx_audit_support.funding_organization"    
3  4 "Structure model" "_pdbx_struct_oper_list.symmetry_operation"   
4  5 "Structure model" "_pdbx_audit_support.funding_organization"    
5  6 "Structure model" "_database_2.pdbx_DOI"                        
6  6 "Structure model" "_database_2.pdbx_database_accession"         
7  6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_auth_comp_id"  
8  6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_auth_seq_id"   
9  6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_label_alt_id"  
10 6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_label_asym_id" 
11 6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_label_atom_id" 
12 6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_label_comp_id" 
13 6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_label_seq_id"  
14 6 "Structure model" "_pdbx_struct_conn_angle.ptnr1_symmetry"      
15 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_auth_comp_id"  
16 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_auth_seq_id"   
17 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_label_alt_id"  
18 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_label_asym_id" 
19 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_label_atom_id" 
20 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_label_comp_id" 
21 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_label_seq_id"  
22 6 "Structure model" "_pdbx_struct_conn_angle.ptnr3_symmetry"      
23 6 "Structure model" "_pdbx_struct_conn_angle.value"               
24 6 "Structure model" "_struct_conn.pdbx_dist_value"                
25 6 "Structure model" "_struct_conn.pdbx_ptnr1_label_alt_id"        
26 6 "Structure model" "_struct_conn.ptnr1_auth_comp_id"             
27 6 "Structure model" "_struct_conn.ptnr1_auth_seq_id"              
28 6 "Structure model" "_struct_conn.ptnr1_label_asym_id"            
29 6 "Structure model" "_struct_conn.ptnr1_label_atom_id"            
30 6 "Structure model" "_struct_conn.ptnr1_label_comp_id"            
31 6 "Structure model" "_struct_conn.ptnr1_label_seq_id"             
32 6 "Structure model" "_struct_conn.ptnr2_auth_comp_id"             
33 6 "Structure model" "_struct_conn.ptnr2_auth_seq_id"              
34 6 "Structure model" "_struct_conn.ptnr2_label_asym_id"            
35 6 "Structure model" "_struct_conn.ptnr2_label_atom_id"            
36 6 "Structure model" "_struct_conn.ptnr2_label_comp_id"            
37 6 "Structure model" "_struct_conn.ptnr2_symmetry"                 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        5E0Y 
_pdbx_database_status.recvd_initial_deposition_date   2015-09-29 
_pdbx_database_status.SG_entry                        Y 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_nmr_data            ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB "3OUV contains a related structure to be published together with this deposition" 3OUV unspecified 
PDB .                                                                                 5E0Z unspecified 
PDB .                                                                                 5E10 unspecified 
PDB .                                                                                 5E12 unspecified 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
"Prigozhin, D.M."                           1 
"TB Structural Genomics Consortium (TBSGC)" 2 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Biol.Chem. 
_citation.journal_id_ASTM           JBCHA3 
_citation.journal_id_CSD            0071 
_citation.journal_id_ISSN           1083-351X 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            291 
_citation.language                  ? 
_citation.page_first                22961 
_citation.page_last                 22969 
_citation.title                     "Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site." 
_citation.year                      2016 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1074/jbc.M116.731760 
_citation.pdbx_database_id_PubMed   27601474 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary "Prigozhin, D.M."          1 ? 
primary "Papavinasasundaram, K.G." 2 ? 
primary "Baer, C.E."               3 ? 
primary "Murphy, K.C."             4 ? 
primary "Moskaleva, A."            5 ? 
primary "Chen, T.Y."               6 ? 
primary "Alber, T."                7 ? 
primary "Sassetti, C.M."           8 ? 
# 
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 "Serine/threonine-protein kinase PknB" 7792.748 1  2.7.11.1 ? "UNP residues 558-626" ? 
2 non-polymer nat "ZINC ION"                             65.409   8  ?        ? ?                      ? 
3 water       nat water                                  18.015   50 ?        ? ?                      ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           "polypeptide(L)" 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       GHMGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 
_entity_poly.pdbx_seq_one_letter_code_can   GHMGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 "ZINC ION" ZN  
3 water      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  HIS n 
1 3  MET n 
1 4  GLY n 
1 5  ASN n 
1 6  GLN n 
1 7  PHE n 
1 8  VAL n 
1 9  MET n 
1 10 PRO n 
1 11 ASP n 
1 12 LEU n 
1 13 SER n 
1 14 GLY n 
1 15 MET n 
1 16 PHE n 
1 17 TRP n 
1 18 VAL n 
1 19 ASP n 
1 20 ALA n 
1 21 GLU n 
1 22 PRO n 
1 23 ARG n 
1 24 LEU n 
1 25 ARG n 
1 26 ALA n 
1 27 LEU n 
1 28 GLY n 
1 29 TRP n 
1 30 THR n 
1 31 GLY n 
1 32 MET n 
1 33 LEU n 
1 34 ASP n 
1 35 LYS n 
1 36 GLY n 
1 37 ALA n 
1 38 ASP n 
1 39 VAL n 
1 40 ASP n 
1 41 ALA n 
1 42 GLY n 
1 43 GLY n 
1 44 SER n 
1 45 GLN n 
1 46 HIS n 
1 47 ASN n 
1 48 ARG n 
1 49 VAL n 
1 50 VAL n 
1 51 TYR n 
1 52 GLN n 
1 53 ASN n 
1 54 PRO n 
1 55 PRO n 
1 56 ALA n 
1 57 GLY n 
1 58 THR n 
1 59 GLY n 
1 60 VAL n 
1 61 ASN n 
1 62 ARG n 
1 63 ASP n 
1 64 GLY n 
1 65 ILE n 
1 66 ILE n 
1 67 THR n 
1 68 LEU n 
1 69 ARG n 
1 70 PHE n 
1 71 GLY n 
1 72 GLN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      "Biological sequence" 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   72 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 "pknB, Rv0014c, MTCY10H4.14c" 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    "ATCC 25618 / H37Rv" 
_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      "Mycobacterium tuberculosis" 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     83332 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      "Escherichia coli" 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA "L-peptide linking" y ALANINE         ? "C3 H7 N O2"     89.093  
ARG "L-peptide linking" y ARGININE        ? "C6 H15 N4 O2 1" 175.209 
ASN "L-peptide linking" y ASPARAGINE      ? "C4 H8 N2 O3"    132.118 
ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4"     133.103 
GLN "L-peptide linking" y GLUTAMINE       ? "C5 H10 N2 O3"   146.144 
GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4"     147.129 
GLY "peptide linking"   y GLYCINE         ? "C2 H5 N O2"     75.067  
HIS "L-peptide linking" y HISTIDINE       ? "C6 H10 N3 O2 1" 156.162 
HOH non-polymer         . WATER           ? "H2 O"           18.015  
ILE "L-peptide linking" y ISOLEUCINE      ? "C6 H13 N O2"    131.173 
LEU "L-peptide linking" y LEUCINE         ? "C6 H13 N O2"    131.173 
LYS "L-peptide linking" y LYSINE          ? "C6 H15 N2 O2 1" 147.195 
MET "L-peptide linking" y METHIONINE      ? "C5 H11 N O2 S"  149.211 
PHE "L-peptide linking" y PHENYLALANINE   ? "C9 H11 N O2"    165.189 
PRO "L-peptide linking" y PROLINE         ? "C5 H9 N O2"     115.130 
SER "L-peptide linking" y SERINE          ? "C3 H7 N O3"     105.093 
THR "L-peptide linking" y THREONINE       ? "C4 H9 N O3"     119.119 
TRP "L-peptide linking" y TRYPTOPHAN      ? "C11 H12 N2 O2"  204.225 
TYR "L-peptide linking" y TYROSINE        ? "C9 H11 N O3"    181.189 
VAL "L-peptide linking" y VALINE          ? "C5 H11 N O2"    117.146 
ZN  non-polymer         . "ZINC ION"      ? "Zn 2"           65.409  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.9_1692 1 
? "data reduction"  ? ? ? ? ? ? ? ? ? ? ? DENZO       ? ? ? .        2 
? "data scaling"    ? ? ? ? ? ? ? ? ? ? ? HKL-2000    ? ? ? .        3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? SOLVE       ? ? ? .        4 
? "data extraction" ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15     5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     5E0Y 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     41.658 
_cell.length_a_esd                 ? 
_cell.length_b                     41.658 
_cell.length_b_esd                 ? 
_cell.length_c                     122.517 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         5E0Y 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             "P 65 2 2" 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   5E0Y 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     "X-RAY DIFFRACTION" 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.09 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         41.16 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          "VAPOR DIFFUSION" 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            291 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    "0.2 M zinc acetate, 0.1 M imidazole pH 8, and 20% PEG 3000" 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment    ? 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.ambient_temp_esd       ? 
_diffrn.crystal_id             1 
_diffrn.crystal_support        ? 
_diffrn.crystal_treatment      ? 
_diffrn.details                ? 
_diffrn.id                     1 
_diffrn.ambient_pressure       ? 
_diffrn.ambient_pressure_esd   ? 
_diffrn.ambient_pressure_gt    ? 
_diffrn.ambient_pressure_lt    ? 
_diffrn.ambient_temp_gt        ? 
_diffrn.ambient_temp_lt        ? 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         "ADSC QUANTUM 315r" 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2009-10-18 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    "Double flat crystal, Si(111)" 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             "SINGLE WAVELENGTH" 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.2824 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        "ALS BEAMLINE 8.3.1" 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.2824 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   8.3.1 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         5E0Y 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                2.000 
_reflns.d_resolution_low                 50.000 
_reflns.details                          ? 
_reflns.limit_h_max                      ? 
_reflns.limit_h_min                      ? 
_reflns.limit_k_max                      ? 
_reflns.limit_k_min                      ? 
_reflns.limit_l_max                      ? 
_reflns.limit_l_min                      ? 
_reflns.number_all                       ? 
_reflns.number_obs                       4409 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       ? 
_reflns.percent_possible_obs             92.400 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  15.300 
_reflns.pdbx_Rmerge_I_obs                0.097 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         21.110 
_reflns.pdbx_netI_over_sigmaI            21.400 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 1.123 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  ? 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         67586 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_R_split 
2.000 2.030  ? ? ? ? ? 98  ? 44.300  ? ? ? ? 0.362 ? ? ? ? ? ? ? ? 3.600  ? 0.960 ? ? ? ? 0 1  1 ? ? 
2.030 2.070  ? ? ? ? ? 142 ? 63.700  ? ? ? ? 0.287 ? ? ? ? ? ? ? ? 4.100  ? 1.119 ? ? ? ? 0 2  1 ? ? 
2.070 2.110  ? ? ? ? ? 168 ? 71.500  ? ? ? ? 0.277 ? ? ? ? ? ? ? ? 4.400  ? 1.372 ? ? ? ? 0 3  1 ? ? 
2.110 2.150  ? ? ? ? ? 177 ? 79.700  ? ? ? ? 0.250 ? ? ? ? ? ? ? ? 5.600  ? 1.131 ? ? ? ? 0 4  1 ? ? 
2.150 2.200  ? ? ? ? ? 212 ? 89.500  ? ? ? ? 0.203 ? ? ? ? ? ? ? ? 6.600  ? 1.293 ? ? ? ? 0 5  1 ? ? 
2.200 2.250  ? ? ? ? ? 205 ? 92.800  ? ? ? ? 0.212 ? ? ? ? ? ? ? ? 7.300  ? 1.221 ? ? ? ? 0 6  1 ? ? 
2.250 2.310  ? ? ? ? ? 234 ? 98.300  ? ? ? ? 0.174 ? ? ? ? ? ? ? ? 9.000  ? 1.187 ? ? ? ? 0 7  1 ? ? 
2.310 2.370  ? ? ? ? ? 214 ? 100.000 ? ? ? ? 0.205 ? ? ? ? ? ? ? ? 10.000 ? 1.158 ? ? ? ? 0 8  1 ? ? 
2.370 2.440  ? ? ? ? ? 241 ? 100.000 ? ? ? ? 0.208 ? ? ? ? ? ? ? ? 13.000 ? 1.257 ? ? ? ? 0 9  1 ? ? 
2.440 2.520  ? ? ? ? ? 223 ? 100.000 ? ? ? ? 0.170 ? ? ? ? ? ? ? ? 16.200 ? 1.142 ? ? ? ? 0 10 1 ? ? 
2.520 2.610  ? ? ? ? ? 248 ? 100.000 ? ? ? ? 0.145 ? ? ? ? ? ? ? ? 20.700 ? 1.105 ? ? ? ? 0 11 1 ? ? 
2.610 2.710  ? ? ? ? ? 215 ? 100.000 ? ? ? ? 0.141 ? ? ? ? ? ? ? ? 22.200 ? 1.108 ? ? ? ? 0 12 1 ? ? 
2.710 2.840  ? ? ? ? ? 243 ? 100.000 ? ? ? ? 0.125 ? ? ? ? ? ? ? ? 21.700 ? 1.107 ? ? ? ? 0 13 1 ? ? 
2.840 2.990  ? ? ? ? ? 249 ? 100.000 ? ? ? ? 0.111 ? ? ? ? ? ? ? ? 21.300 ? 1.273 ? ? ? ? 0 14 1 ? ? 
2.990 3.170  ? ? ? ? ? 230 ? 100.000 ? ? ? ? 0.092 ? ? ? ? ? ? ? ? 21.900 ? 1.072 ? ? ? ? 0 15 1 ? ? 
3.170 3.420  ? ? ? ? ? 242 ? 100.000 ? ? ? ? 0.085 ? ? ? ? ? ? ? ? 21.200 ? 1.156 ? ? ? ? 0 16 1 ? ? 
3.420 3.760  ? ? ? ? ? 247 ? 100.000 ? ? ? ? 0.081 ? ? ? ? ? ? ? ? 20.800 ? 1.045 ? ? ? ? 0 17 1 ? ? 
3.760 4.310  ? ? ? ? ? 251 ? 100.000 ? ? ? ? 0.074 ? ? ? ? ? ? ? ? 20.200 ? 1.037 ? ? ? ? 0 18 1 ? ? 
4.310 5.430  ? ? ? ? ? 260 ? 100.000 ? ? ? ? 0.089 ? ? ? ? ? ? ? ? 19.500 ? 1.059 ? ? ? ? 0 19 1 ? ? 
5.430 50.000 ? ? ? ? ? 310 ? 99.700  ? ? ? ? 0.080 ? ? ? ? ? ? ? ? 16.500 ? 1.038 ? ? ? ? 0 20 1 ? ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                60.150 
_refine.B_iso_mean                               24.1152 
_refine.B_iso_min                                3.860 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 5E0Y 
_refine.pdbx_refine_id                           "X-RAY DIFFRACTION" 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.0010 
_refine.ls_d_res_low                             34.6080 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     4342 
_refine.ls_number_reflns_R_free                  436 
_refine.ls_number_reflns_R_work                  3906 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.0300 
_refine.ls_percent_reflns_R_free                 10.0400 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2201 
_refine.ls_R_factor_R_free                       0.2639 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2153 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    "FLAT BULK SOLVENT MODEL" 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               "FREE R-VALUE" 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       MLHL 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.1900 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2200 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   "X-RAY DIFFRACTION" 
_refine_hist.d_res_high                       2.0010 
_refine_hist.d_res_low                        34.6080 
_refine_hist.pdbx_number_atoms_ligand         9 
_refine_hist.number_atoms_solvent             50 
_refine_hist.number_atoms_total               580 
_refine_hist.pdbx_number_residues_total       68 
_refine_hist.pdbx_B_iso_mean_ligand           37.14 
_refine_hist.pdbx_B_iso_mean_solvent          31.80 
_refine_hist.pdbx_number_atoms_protein        521 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
"X-RAY DIFFRACTION" ? 0.005  ? 565 ? f_bond_d           ? ? 
"X-RAY DIFFRACTION" ? 0.908  ? 772 ? f_angle_d          ? ? 
"X-RAY DIFFRACTION" ? 0.034  ? 78  ? f_chiral_restr     ? ? 
"X-RAY DIFFRACTION" ? 0.005  ? 107 ? f_plane_restr      ? ? 
"X-RAY DIFFRACTION" ? 15.037 ? 206 ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
"X-RAY DIFFRACTION" 2.0012 2.2907  1126 . 114 1012 75.0000  . . . 0.3013 . 0.2359 . . . . . . 3 . . . 
"X-RAY DIFFRACTION" 2.2907 2.8858  1538 . 154 1384 100.0000 . . . 0.2822 . 0.2305 . . . . . . 3 . . . 
"X-RAY DIFFRACTION" 2.8858 34.6128 1678 . 168 1510 100.0000 . . . 0.2463 . 0.2034 . . . . . . 3 . . . 
# 
_struct.entry_id                     5E0Y 
_struct.title                        "Crystal Structure of PASTA Domain 4 of Mycobacterium tuberculosis Protein Kinase B" 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               ? 
# 
_struct_keywords.entry_id        5E0Y 
_struct_keywords.text            "kinase, extracellular sensor domain, peptidoglycan binding, Structural Genomics, TB Structural Genomics Consortium, TBSGC, TRANSFERASE" 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
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 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 2 ? 
I N N 2 ? 
J N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PKNB_MYCTU 
_struct_ref.pdbx_db_accession          P9WI81 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   GNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 
_struct_ref.pdbx_align_begin           558 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              5E0Y 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 72 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P9WI81 
_struct_ref_seq.db_align_beg                  558 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  626 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       558 
_struct_ref_seq.pdbx_auth_seq_align_end       626 
# 
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 5E0Y GLY A 1 ? UNP P9WI81 ? ? "expression tag" 555 1 
1 5E0Y HIS A 2 ? UNP P9WI81 ? ? "expression tag" 556 2 
1 5E0Y MET A 3 ? UNP P9WI81 ? ? "expression tag" 557 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)" 560  ? 
1 MORE         -147 ? 
1 "SSA (A^2)"  4200 ? 
# 
_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,E,F,G,H,I,J 
# 
_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_
_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 AA1 PHE A 16 ? LEU A 27 ? PHE A 570 LEU A 581 1 ? 12 
HELX_P HELX_P2 AA2 GLY A 42 ? HIS A 46 ? GLY A 596 HIS A 600 5 ? 5  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A ASP 19 OD1 ? ? ? 1_555 D ZN  . ZN ? ? A ASP 573 A ZN  703 1_555  ? ? ? ? ? ? ? 2.237 ? ? 
metalc2  metalc ? ? A GLU 21 OE2 ? ? ? 1_555 C ZN  . ZN ? ? A GLU 575 A ZN  702 1_555  ? ? ? ? ? ? ? 2.013 ? ? 
metalc3  metalc ? ? A GLU 21 OE1 ? ? ? 1_555 C ZN  . ZN ? ? A GLU 575 A ZN  702 10_666 ? ? ? ? ? ? ? 2.659 ? ? 
metalc4  metalc ? ? A GLU 21 OE2 ? ? ? 1_555 C ZN  . ZN ? ? A GLU 575 A ZN  702 10_666 ? ? ? ? ? ? ? 2.019 ? ? 
metalc5  metalc ? ? A LYS 35 NZ  ? ? ? 1_555 H ZN  . ZN ? ? A LYS 589 A ZN  707 1_555  ? ? ? ? ? ? ? 2.528 ? ? 
metalc6  metalc ? ? A ASP 40 OD1 ? ? ? 1_555 E ZN  . ZN ? ? A ASP 594 A ZN  704 1_555  ? ? ? ? ? ? ? 2.101 ? ? 
metalc7  metalc ? ? A ASP 40 OD2 ? ? ? 1_555 E ZN  . ZN ? ? A ASP 594 A ZN  704 1_555  ? ? ? ? ? ? ? 2.176 ? ? 
metalc8  metalc ? ? A HIS 46 ND1 ? ? ? 1_555 B ZN  . ZN ? ? A HIS 600 A ZN  701 1_555  ? ? ? ? ? ? ? 2.116 ? ? 
metalc9  metalc ? ? A HIS 46 ND1 ? ? ? 1_555 B ZN  . ZN ? ? A HIS 600 A ZN  701 10_776 ? ? ? ? ? ? ? 2.336 ? ? 
metalc10 metalc ? ? A TYR 51 OH  B ? ? 1_555 E ZN  . ZN ? ? A TYR 605 A ZN  704 8_676  ? ? ? ? ? ? ? 1.998 ? ? 
metalc11 metalc ? ? A GLN 72 O   ? ? ? 1_555 B ZN  . ZN ? ? A GLN 626 A ZN  701 1_555  ? ? ? ? ? ? ? 2.586 ? ? 
metalc12 metalc ? ? A GLN 72 OXT ? ? ? 1_555 B ZN  . ZN ? ? A GLN 626 A ZN  701 1_555  ? ? ? ? ? ? ? 2.183 ? ? 
metalc13 metalc ? ? A GLN 72 O   ? ? ? 1_555 B ZN  . ZN ? ? A GLN 626 A ZN  701 10_776 ? ? ? ? ? ? ? 2.675 ? ? 
metalc14 metalc ? ? A GLN 72 OXT ? ? ? 1_555 B ZN  . ZN ? ? A GLN 626 A ZN  701 10_776 ? ? ? ? ? ? ? 2.106 ? ? 
metalc15 metalc ? ? C ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  702 A HOH 837 1_555  ? ? ? ? ? ? ? 2.067 ? ? 
metalc16 metalc ? ? C ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  702 A HOH 837 10_666 ? ? ? ? ? ? ? 2.216 ? ? 
metalc17 metalc ? ? D ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  703 A HOH 845 5_565  ? ? ? ? ? ? ? 2.141 ? ? 
metalc18 metalc ? ? E ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  704 A HOH 836 8_676  ? ? ? ? ? ? ? 2.444 ? ? 
metalc19 metalc ? ? E ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  704 A HOH 844 1_555  ? ? ? ? ? ? ? 2.569 ? ? 
metalc20 metalc ? ? H ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  707 A HOH 810 1_555  ? ? ? ? ? ? ? 2.069 ? ? 
metalc21 metalc ? ? I ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  708 A HOH 810 1_555  ? ? ? ? ? ? ? 2.115 ? ? 
metalc22 metalc ? ? I ZN  .  ZN  ? ? ? 1_555 J HOH . O  ? ? A ZN  708 A HOH 844 10_776 ? ? ? ? ? ? ? 2.186 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OD1 ? A ASP 19 ? A ASP 573 ? 1_555 ZN ? D ZN . ? A ZN 703 ? 1_555 O   ? J HOH .  ? A HOH 845 ? 5_565  100.0 ? 
2  OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 OE1 ? A GLU 21 ? A GLU 575 ? 1_555  52.2  ? 
3  OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 OE2 ? A GLU 21 ? A GLU 575 ? 1_555  0.0   ? 
4  OE1 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 OE2 ? A GLU 21 ? A GLU 575 ? 1_555  52.2  ? 
5  OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 1_555  101.6 ? 
6  OE1 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 1_555  153.1 ? 
7  OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 1_555  101.6 ? 
8  OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 10_666 113.5 ? 
9  OE1 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 10_666 105.9 ? 
10 OE2 ? A GLU 21 ? A GLU 575 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 10_666 113.5 ? 
11 O   ? J HOH .  ? A HOH 837 ? 1_555 ZN ? C ZN . ? A ZN 702 ? 1_555 O   ? J HOH .  ? A HOH 837 ? 10_666 89.5  ? 
12 NZ  ? A LYS 35 ? A LYS 589 ? 1_555 ZN ? H ZN . ? A ZN 707 ? 1_555 O   ? J HOH .  ? A HOH 810 ? 1_555  166.2 ? 
13 OD1 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 OD2 ? A ASP 40 ? A ASP 594 ? 1_555  61.9  ? 
14 OD1 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 OH  B A TYR 51 ? A TYR 605 ? 1_555  30.4  ? 
15 OD2 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 OH  B A TYR 51 ? A TYR 605 ? 1_555  53.7  ? 
16 OD1 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 836 ? 8_676  135.1 ? 
17 OD2 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 836 ? 8_676  88.9  ? 
18 OH  B A TYR 51 ? A TYR 605 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 836 ? 8_676  105.0 ? 
19 OD1 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 844 ? 1_555  99.1  ? 
20 OD2 ? A ASP 40 ? A ASP 594 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 844 ? 1_555  89.2  ? 
21 OH  B A TYR 51 ? A TYR 605 ? 1_555 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 844 ? 1_555  124.6 ? 
22 O   ? J HOH .  ? A HOH 836 ? 8_676 ZN ? E ZN . ? A ZN 704 ? 1_555 O   ? J HOH .  ? A HOH 844 ? 1_555  114.9 ? 
23 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 ND1 ? A HIS 46 ? A HIS 600 ? 1_555  0.0   ? 
24 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  90.6  ? 
25 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  90.6  ? 
26 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  104.8 ? 
27 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  104.8 ? 
28 O   ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  51.6  ? 
29 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  90.6  ? 
30 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  90.6  ? 
31 O   ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  0.0   ? 
32 OXT ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 O   ? A GLN 72 ? A GLN 626 ? 1_555  51.6  ? 
33 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  104.8 ? 
34 ND1 ? A HIS 46 ? A HIS 600 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  104.8 ? 
35 O   ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  51.6  ? 
36 OXT ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  0.0   ? 
37 O   ? A GLN 72 ? A GLN 626 ? 1_555 ZN ? B ZN . ? A ZN 701 ? 1_555 OXT ? A GLN 72 ? A GLN 626 ? 1_555  51.6  ? 
38 O   ? J HOH .  ? A HOH 810 ? 1_555 ZN ? I ZN . ? A ZN 708 ? 1_555 O   ? J HOH .  ? A HOH 844 ? 10_776 89.3  ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ASN 
_struct_mon_prot_cis.label_seq_id           53 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           ASN 
_struct_mon_prot_cis.auth_seq_id            607 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    54 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     608 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       1.81 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 3 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 7  ? VAL A 8  ? PHE A 561 VAL A 562 
AA1 2 GLY A 59 ? VAL A 60 ? GLY A 613 VAL A 614 
AA2 1 LEU A 33 ? LYS A 35 ? LEU A 587 LYS A 589 
AA2 2 ILE A 66 ? PHE A 70 ? ILE A 620 PHE A 624 
AA2 3 VAL A 49 ? ASN A 53 ? VAL A 603 ASN A 607 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 7  ? N PHE A 561 O VAL A 60 ? O VAL A 614 
AA2 1 2 N ASP A 34 ? N ASP A 588 O ILE A 66 ? O ILE A 620 
AA2 2 3 O ARG A 69 ? O ARG A 623 N VAL A 50 ? N VAL A 604 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software A ZN 701 ? 4 "binding site for residue ZN A 701" 
AC2 Software A ZN 702 ? 6 "binding site for residue ZN A 702" 
AC3 Software A ZN 703 ? 2 "binding site for residue ZN A 703" 
AC4 Software A ZN 704 ? 6 "binding site for residue ZN A 704" 
AC5 Software A ZN 705 ? 6 "binding site for residue ZN A 705" 
AC6 Software A ZN 706 ? 5 "binding site for residue ZN A 706" 
AC7 Software A ZN 707 ? 4 "binding site for residue ZN A 707" 
AC8 Software A ZN 708 ? 7 "binding site for residue ZN A 708" 
# 
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 HIS A 46 ? HIS A 600 . ? 1_555  ? 
2  AC1 4 HIS A 46 ? HIS A 600 . ? 10_776 ? 
3  AC1 4 GLN A 72 ? GLN A 626 . ? 10_776 ? 
4  AC1 4 GLN A 72 ? GLN A 626 . ? 1_555  ? 
5  AC2 6 GLU A 21 ? GLU A 575 . ? 1_555  ? 
6  AC2 6 GLU A 21 ? GLU A 575 . ? 10_666 ? 
7  AC2 6 HOH J .  ? HOH A 837 . ? 1_555  ? 
8  AC2 6 HOH J .  ? HOH A 837 . ? 10_666 ? 
9  AC2 6 HOH J .  ? HOH A 841 . ? 10_666 ? 
10 AC2 6 HOH J .  ? HOH A 841 . ? 1_555  ? 
11 AC3 2 ASP A 19 ? ASP A 573 . ? 1_555  ? 
12 AC3 2 HOH J .  ? HOH A 845 . ? 5_565  ? 
13 AC4 6 ASP A 40 ? ASP A 594 . ? 1_555  ? 
14 AC4 6 HIS A 46 ? HIS A 600 . ? 10_776 ? 
15 AC4 6 TYR A 51 ? TYR A 605 . ? 8_676  ? 
16 AC4 6 ZN  F .  ? ZN  A 705 . ? 10_776 ? 
17 AC4 6 HOH J .  ? HOH A 836 . ? 8_676  ? 
18 AC4 6 HOH J .  ? HOH A 844 . ? 1_555  ? 
19 AC5 6 VAL A 39 ? VAL A 593 . ? 5_565  ? 
20 AC5 6 ASP A 40 ? ASP A 594 . ? 10_776 ? 
21 AC5 6 HIS A 46 ? HIS A 600 . ? 1_555  ? 
22 AC5 6 TYR A 51 ? TYR A 605 . ? 5_565  ? 
23 AC5 6 ZN  E .  ? ZN  A 704 . ? 10_776 ? 
24 AC5 6 ZN  G .  ? ZN  A 706 . ? 10_776 ? 
25 AC6 5 GLY A 43 ? GLY A 597 . ? 1_555  ? 
26 AC6 5 HIS A 46 ? HIS A 600 . ? 10_776 ? 
27 AC6 5 TYR A 51 ? TYR A 605 . ? 8_676  ? 
28 AC6 5 ZN  F .  ? ZN  A 705 . ? 10_776 ? 
29 AC6 5 HOH J .  ? HOH A 820 . ? 1_555  ? 
30 AC7 4 LYS A 35 ? LYS A 589 . ? 1_555  ? 
31 AC7 4 ASP A 38 ? ASP A 592 . ? 1_555  ? 
32 AC7 4 ZN  I .  ? ZN  A 708 . ? 1_555  ? 
33 AC7 4 HOH J .  ? HOH A 810 . ? 1_555  ? 
34 AC8 7 ASP A 38 ? ASP A 592 . ? 1_555  ? 
35 AC8 7 ASN A 47 ? ASN A 601 . ? 1_555  ? 
36 AC8 7 GLY A 71 ? GLY A 625 . ? 1_555  ? 
37 AC8 7 GLN A 72 ? GLN A 626 . ? 10_776 ? 
38 AC8 7 ZN  H .  ? ZN  A 707 . ? 1_555  ? 
39 AC8 7 HOH J .  ? HOH A 810 . ? 1_555  ? 
40 AC8 7 HOH J .  ? HOH A 844 . ? 10_776 ? 
# 
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 808 ? ? 1_555 O A HOH 847 ? ? 8_566  1.94 
2 1 O A HOH 837 ? ? 1_555 O A HOH 841 ? ? 10_666 2.13 
3 1 O A HOH 837 ? ? 1_555 O A HOH 843 ? ? 10_666 2.13 
# 
_pdbx_SG_project.id                    1 
_pdbx_SG_project.project_name          ? 
_pdbx_SG_project.full_name_of_center   "TB Structural Genomics Consortium" 
_pdbx_SG_project.initial_of_center     TBSGC 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A ZN  701 ? B ZN  . 
2 1 A ZN  702 ? C ZN  . 
3 1 A HOH 832 ? J HOH . 
# 
_phasing.method   SAD 
# 
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 GLY 555 ? A GLY 1 
2 1 Y 1 A HIS 556 ? A HIS 2 
3 1 Y 1 A MET 557 ? A MET 3 
4 1 Y 1 A GLY 558 ? A GLY 4 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
GLN N    N  N N 74  
GLN CA   C  N S 75  
GLN C    C  N N 76  
GLN O    O  N N 77  
GLN CB   C  N N 78  
GLN CG   C  N N 79  
GLN CD   C  N N 80  
GLN OE1  O  N N 81  
GLN NE2  N  N N 82  
GLN OXT  O  N N 83  
GLN H    H  N N 84  
GLN H2   H  N N 85  
GLN HA   H  N N 86  
GLN HB2  H  N N 87  
GLN HB3  H  N N 88  
GLN HG2  H  N N 89  
GLN HG3  H  N N 90  
GLN HE21 H  N N 91  
GLN HE22 H  N N 92  
GLN HXT  H  N N 93  
GLU N    N  N N 94  
GLU CA   C  N S 95  
GLU C    C  N N 96  
GLU O    O  N N 97  
GLU CB   C  N N 98  
GLU CG   C  N N 99  
GLU CD   C  N N 100 
GLU OE1  O  N N 101 
GLU OE2  O  N N 102 
GLU OXT  O  N N 103 
GLU H    H  N N 104 
GLU H2   H  N N 105 
GLU HA   H  N N 106 
GLU HB2  H  N N 107 
GLU HB3  H  N N 108 
GLU HG2  H  N N 109 
GLU HG3  H  N N 110 
GLU HE2  H  N N 111 
GLU HXT  H  N N 112 
GLY N    N  N N 113 
GLY CA   C  N N 114 
GLY C    C  N N 115 
GLY O    O  N N 116 
GLY OXT  O  N N 117 
GLY H    H  N N 118 
GLY H2   H  N N 119 
GLY HA2  H  N N 120 
GLY HA3  H  N N 121 
GLY HXT  H  N N 122 
HIS N    N  N N 123 
HIS CA   C  N S 124 
HIS C    C  N N 125 
HIS O    O  N N 126 
HIS CB   C  N N 127 
HIS CG   C  Y N 128 
HIS ND1  N  Y N 129 
HIS CD2  C  Y N 130 
HIS CE1  C  Y N 131 
HIS NE2  N  Y N 132 
HIS OXT  O  N N 133 
HIS H    H  N N 134 
HIS H2   H  N N 135 
HIS HA   H  N N 136 
HIS HB2  H  N N 137 
HIS HB3  H  N N 138 
HIS HD1  H  N N 139 
HIS HD2  H  N N 140 
HIS HE1  H  N N 141 
HIS HE2  H  N N 142 
HIS HXT  H  N N 143 
HOH O    O  N N 144 
HOH H1   H  N N 145 
HOH H2   H  N N 146 
ILE N    N  N N 147 
ILE CA   C  N S 148 
ILE C    C  N N 149 
ILE O    O  N N 150 
ILE CB   C  N S 151 
ILE CG1  C  N N 152 
ILE CG2  C  N N 153 
ILE CD1  C  N N 154 
ILE OXT  O  N N 155 
ILE H    H  N N 156 
ILE H2   H  N N 157 
ILE HA   H  N N 158 
ILE HB   H  N N 159 
ILE HG12 H  N N 160 
ILE HG13 H  N N 161 
ILE HG21 H  N N 162 
ILE HG22 H  N N 163 
ILE HG23 H  N N 164 
ILE HD11 H  N N 165 
ILE HD12 H  N N 166 
ILE HD13 H  N N 167 
ILE HXT  H  N N 168 
LEU N    N  N N 169 
LEU CA   C  N S 170 
LEU C    C  N N 171 
LEU O    O  N N 172 
LEU CB   C  N N 173 
LEU CG   C  N N 174 
LEU CD1  C  N N 175 
LEU CD2  C  N N 176 
LEU OXT  O  N N 177 
LEU H    H  N N 178 
LEU H2   H  N N 179 
LEU HA   H  N N 180 
LEU HB2  H  N N 181 
LEU HB3  H  N N 182 
LEU HG   H  N N 183 
LEU HD11 H  N N 184 
LEU HD12 H  N N 185 
LEU HD13 H  N N 186 
LEU HD21 H  N N 187 
LEU HD22 H  N N 188 
LEU HD23 H  N N 189 
LEU HXT  H  N N 190 
LYS N    N  N N 191 
LYS CA   C  N S 192 
LYS C    C  N N 193 
LYS O    O  N N 194 
LYS CB   C  N N 195 
LYS CG   C  N N 196 
LYS CD   C  N N 197 
LYS CE   C  N N 198 
LYS NZ   N  N N 199 
LYS OXT  O  N N 200 
LYS H    H  N N 201 
LYS H2   H  N N 202 
LYS HA   H  N N 203 
LYS HB2  H  N N 204 
LYS HB3  H  N N 205 
LYS HG2  H  N N 206 
LYS HG3  H  N N 207 
LYS HD2  H  N N 208 
LYS HD3  H  N N 209 
LYS HE2  H  N N 210 
LYS HE3  H  N N 211 
LYS HZ1  H  N N 212 
LYS HZ2  H  N N 213 
LYS HZ3  H  N N 214 
LYS HXT  H  N N 215 
MET N    N  N N 216 
MET CA   C  N S 217 
MET C    C  N N 218 
MET O    O  N N 219 
MET CB   C  N N 220 
MET CG   C  N N 221 
MET SD   S  N N 222 
MET CE   C  N N 223 
MET OXT  O  N N 224 
MET H    H  N N 225 
MET H2   H  N N 226 
MET HA   H  N N 227 
MET HB2  H  N N 228 
MET HB3  H  N N 229 
MET HG2  H  N N 230 
MET HG3  H  N N 231 
MET HE1  H  N N 232 
MET HE2  H  N N 233 
MET HE3  H  N N 234 
MET HXT  H  N N 235 
PHE N    N  N N 236 
PHE CA   C  N S 237 
PHE C    C  N N 238 
PHE O    O  N N 239 
PHE CB   C  N N 240 
PHE CG   C  Y N 241 
PHE CD1  C  Y N 242 
PHE CD2  C  Y N 243 
PHE CE1  C  Y N 244 
PHE CE2  C  Y N 245 
PHE CZ   C  Y N 246 
PHE OXT  O  N N 247 
PHE H    H  N N 248 
PHE H2   H  N N 249 
PHE HA   H  N N 250 
PHE HB2  H  N N 251 
PHE HB3  H  N N 252 
PHE HD1  H  N N 253 
PHE HD2  H  N N 254 
PHE HE1  H  N N 255 
PHE HE2  H  N N 256 
PHE HZ   H  N N 257 
PHE HXT  H  N N 258 
PRO N    N  N N 259 
PRO CA   C  N S 260 
PRO C    C  N N 261 
PRO O    O  N N 262 
PRO CB   C  N N 263 
PRO CG   C  N N 264 
PRO CD   C  N N 265 
PRO OXT  O  N N 266 
PRO H    H  N N 267 
PRO HA   H  N N 268 
PRO HB2  H  N N 269 
PRO HB3  H  N N 270 
PRO HG2  H  N N 271 
PRO HG3  H  N N 272 
PRO HD2  H  N N 273 
PRO HD3  H  N N 274 
PRO HXT  H  N N 275 
SER N    N  N N 276 
SER CA   C  N S 277 
SER C    C  N N 278 
SER O    O  N N 279 
SER CB   C  N N 280 
SER OG   O  N N 281 
SER OXT  O  N N 282 
SER H    H  N N 283 
SER H2   H  N N 284 
SER HA   H  N N 285 
SER HB2  H  N N 286 
SER HB3  H  N N 287 
SER HG   H  N N 288 
SER HXT  H  N N 289 
THR N    N  N N 290 
THR CA   C  N S 291 
THR C    C  N N 292 
THR O    O  N N 293 
THR CB   C  N R 294 
THR OG1  O  N N 295 
THR CG2  C  N N 296 
THR OXT  O  N N 297 
THR H    H  N N 298 
THR H2   H  N N 299 
THR HA   H  N N 300 
THR HB   H  N N 301 
THR HG1  H  N N 302 
THR HG21 H  N N 303 
THR HG22 H  N N 304 
THR HG23 H  N N 305 
THR HXT  H  N N 306 
TRP N    N  N N 307 
TRP CA   C  N S 308 
TRP C    C  N N 309 
TRP O    O  N N 310 
TRP CB   C  N N 311 
TRP CG   C  Y N 312 
TRP CD1  C  Y N 313 
TRP CD2  C  Y N 314 
TRP NE1  N  Y N 315 
TRP CE2  C  Y N 316 
TRP CE3  C  Y N 317 
TRP CZ2  C  Y N 318 
TRP CZ3  C  Y N 319 
TRP CH2  C  Y N 320 
TRP OXT  O  N N 321 
TRP H    H  N N 322 
TRP H2   H  N N 323 
TRP HA   H  N N 324 
TRP HB2  H  N N 325 
TRP HB3  H  N N 326 
TRP HD1  H  N N 327 
TRP HE1  H  N N 328 
TRP HE3  H  N N 329 
TRP HZ2  H  N N 330 
TRP HZ3  H  N N 331 
TRP HH2  H  N N 332 
TRP HXT  H  N N 333 
TYR N    N  N N 334 
TYR CA   C  N S 335 
TYR C    C  N N 336 
TYR O    O  N N 337 
TYR CB   C  N N 338 
TYR CG   C  Y N 339 
TYR CD1  C  Y N 340 
TYR CD2  C  Y N 341 
TYR CE1  C  Y N 342 
TYR CE2  C  Y N 343 
TYR CZ   C  Y N 344 
TYR OH   O  N N 345 
TYR OXT  O  N N 346 
TYR H    H  N N 347 
TYR H2   H  N N 348 
TYR HA   H  N N 349 
TYR HB2  H  N N 350 
TYR HB3  H  N N 351 
TYR HD1  H  N N 352 
TYR HD2  H  N N 353 
TYR HE1  H  N N 354 
TYR HE2  H  N N 355 
TYR HH   H  N N 356 
TYR HXT  H  N N 357 
VAL N    N  N N 358 
VAL CA   C  N S 359 
VAL C    C  N N 360 
VAL O    O  N N 361 
VAL CB   C  N N 362 
VAL CG1  C  N N 363 
VAL CG2  C  N N 364 
VAL OXT  O  N N 365 
VAL H    H  N N 366 
VAL H2   H  N N 367 
VAL HA   H  N N 368 
VAL HB   H  N N 369 
VAL HG11 H  N N 370 
VAL HG12 H  N N 371 
VAL HG13 H  N N 372 
VAL HG21 H  N N 373 
VAL HG22 H  N N 374 
VAL HG23 H  N N 375 
VAL HXT  H  N N 376 
ZN  ZN   ZN N N 377 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
SER N   CA   sing N N 264 
SER N   H    sing N N 265 
SER N   H2   sing N N 266 
SER CA  C    sing N N 267 
SER CA  CB   sing N N 268 
SER CA  HA   sing N N 269 
SER C   O    doub N N 270 
SER C   OXT  sing N N 271 
SER CB  OG   sing N N 272 
SER CB  HB2  sing N N 273 
SER CB  HB3  sing N N 274 
SER OG  HG   sing N N 275 
SER OXT HXT  sing N N 276 
THR N   CA   sing N N 277 
THR N   H    sing N N 278 
THR N   H2   sing N N 279 
THR CA  C    sing N N 280 
THR CA  CB   sing N N 281 
THR CA  HA   sing N N 282 
THR C   O    doub N N 283 
THR C   OXT  sing N N 284 
THR CB  OG1  sing N N 285 
THR CB  CG2  sing N N 286 
THR CB  HB   sing N N 287 
THR OG1 HG1  sing N N 288 
THR CG2 HG21 sing N N 289 
THR CG2 HG22 sing N N 290 
THR CG2 HG23 sing N N 291 
THR OXT HXT  sing N N 292 
TRP N   CA   sing N N 293 
TRP N   H    sing N N 294 
TRP N   H2   sing N N 295 
TRP CA  C    sing N N 296 
TRP CA  CB   sing N N 297 
TRP CA  HA   sing N N 298 
TRP C   O    doub N N 299 
TRP C   OXT  sing N N 300 
TRP CB  CG   sing N N 301 
TRP CB  HB2  sing N N 302 
TRP CB  HB3  sing N N 303 
TRP CG  CD1  doub Y N 304 
TRP CG  CD2  sing Y N 305 
TRP CD1 NE1  sing Y N 306 
TRP CD1 HD1  sing N N 307 
TRP CD2 CE2  doub Y N 308 
TRP CD2 CE3  sing Y N 309 
TRP NE1 CE2  sing Y N 310 
TRP NE1 HE1  sing N N 311 
TRP CE2 CZ2  sing Y N 312 
TRP CE3 CZ3  doub Y N 313 
TRP CE3 HE3  sing N N 314 
TRP CZ2 CH2  doub Y N 315 
TRP CZ2 HZ2  sing N N 316 
TRP CZ3 CH2  sing Y N 317 
TRP CZ3 HZ3  sing N N 318 
TRP CH2 HH2  sing N N 319 
TRP OXT HXT  sing N N 320 
TYR N   CA   sing N N 321 
TYR N   H    sing N N 322 
TYR N   H2   sing N N 323 
TYR CA  C    sing N N 324 
TYR CA  CB   sing N N 325 
TYR CA  HA   sing N N 326 
TYR C   O    doub N N 327 
TYR C   OXT  sing N N 328 
TYR CB  CG   sing N N 329 
TYR CB  HB2  sing N N 330 
TYR CB  HB3  sing N N 331 
TYR CG  CD1  doub Y N 332 
TYR CG  CD2  sing Y N 333 
TYR CD1 CE1  sing Y N 334 
TYR CD1 HD1  sing N N 335 
TYR CD2 CE2  doub Y N 336 
TYR CD2 HD2  sing N N 337 
TYR CE1 CZ   doub Y N 338 
TYR CE1 HE1  sing N N 339 
TYR CE2 CZ   sing Y N 340 
TYR CE2 HE2  sing N N 341 
TYR CZ  OH   sing N N 342 
TYR OH  HH   sing N N 343 
TYR OXT HXT  sing N N 344 
VAL N   CA   sing N N 345 
VAL N   H    sing N N 346 
VAL N   H2   sing N N 347 
VAL CA  C    sing N N 348 
VAL CA  CB   sing N N 349 
VAL CA  HA   sing N N 350 
VAL C   O    doub N N 351 
VAL C   OXT  sing N N 352 
VAL CB  CG1  sing N N 353 
VAL CB  CG2  sing N N 354 
VAL CB  HB   sing N N 355 
VAL CG1 HG11 sing N N 356 
VAL CG1 HG12 sing N N 357 
VAL CG1 HG13 sing N N 358 
VAL CG2 HG21 sing N N 359 
VAL CG2 HG22 sing N N 360 
VAL CG2 HG23 sing N N 361 
VAL OXT HXT  sing N N 362 
# 
_pdbx_audit_support.funding_organization   "National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)" 
_pdbx_audit_support.country                "United States" 
_pdbx_audit_support.grant_number           GM70962 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    5E0Y 
_atom_sites.fract_transf_matrix[1][1]   0.024005 
_atom_sites.fract_transf_matrix[1][2]   0.013859 
_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]   0.027719 
_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]   0.008162 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C  
N  
O  
S  
ZN 
# 
_pdbx_sifts_unp_segments.entity_id      1 
_pdbx_sifts_unp_segments.asym_id        A 
_pdbx_sifts_unp_segments.unp_acc        P9WI81 
_pdbx_sifts_unp_segments.segment_id     1 
_pdbx_sifts_unp_segments.instance_id    1 
_pdbx_sifts_unp_segments.unp_start      558 
_pdbx_sifts_unp_segments.unp_end        626 
_pdbx_sifts_unp_segments.seq_id_start   4 
_pdbx_sifts_unp_segments.seq_id_end     72 
_pdbx_sifts_unp_segments.best_mapping   y 
_pdbx_sifts_unp_segments.identity       1.0 
# 
loop_
_pdbx_sifts_xref_db_segments.entity_id 
_pdbx_sifts_xref_db_segments.asym_id 
_pdbx_sifts_xref_db_segments.xref_db 
_pdbx_sifts_xref_db_segments.xref_db_acc 
_pdbx_sifts_xref_db_segments.domain_name 
_pdbx_sifts_xref_db_segments.segment_id 
_pdbx_sifts_xref_db_segments.instance_id 
_pdbx_sifts_xref_db_segments.seq_id_start 
_pdbx_sifts_xref_db_segments.seq_id_end 
1 A CATH 3.30.10.20 5e0yA00 1 1 5 72 
1 A Pfam PF03793    ?       1 1 7 72 
# 
loop_
_pdbx_sifts_xref_db.entity_id 
_pdbx_sifts_xref_db.asym_id 
_pdbx_sifts_xref_db.seq_id_ordinal 
_pdbx_sifts_xref_db.seq_id 
_pdbx_sifts_xref_db.mon_id 
_pdbx_sifts_xref_db.mon_id_one_letter_code 
_pdbx_sifts_xref_db.unp_res 
_pdbx_sifts_xref_db.unp_num 
_pdbx_sifts_xref_db.unp_acc 
_pdbx_sifts_xref_db.unp_segment_id 
_pdbx_sifts_xref_db.unp_instance_id 
_pdbx_sifts_xref_db.res_type 
_pdbx_sifts_xref_db.observed 
_pdbx_sifts_xref_db.mh_id 
_pdbx_sifts_xref_db.xref_db_name 
_pdbx_sifts_xref_db.xref_db_acc 
_pdbx_sifts_xref_db.xref_domain_name 
_pdbx_sifts_xref_db.xref_db_segment_id 
_pdbx_sifts_xref_db.xref_db_instance_id 
1 A 1 4  GLY G G 558 P9WI81 1 1 ? n 1 ?    ?          ?       ? ? 
1 A 1 5  ASN N N 559 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 6  GLN Q Q 560 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 7  PHE F F 561 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 7  PHE F F 561 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 8  VAL V V 562 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 8  VAL V V 562 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 9  MET M M 563 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 9  MET M M 563 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 10 PRO P P 564 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 10 PRO P P 564 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 11 ASP D D 565 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 11 ASP D D 565 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 12 LEU L L 566 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 12 LEU L L 566 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 13 SER S S 567 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 13 SER S S 567 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 14 GLY G G 568 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 14 GLY G G 568 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 15 MET M M 569 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 15 MET M M 569 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 16 PHE F F 570 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 16 PHE F F 570 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 17 TRP W W 571 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 17 TRP W W 571 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 18 VAL V V 572 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 18 VAL V V 572 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 19 ASP D D 573 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 19 ASP D D 573 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 20 ALA A A 574 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 20 ALA A A 574 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 21 GLU E E 575 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 21 GLU E E 575 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 22 PRO P P 576 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 22 PRO P P 576 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 23 ARG R R 577 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 23 ARG R R 577 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 24 LEU L L 578 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 24 LEU L L 578 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 25 ARG R R 579 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 25 ARG R R 579 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 26 ALA A A 580 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 26 ALA A A 580 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 27 LEU L L 581 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 27 LEU L L 581 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 28 GLY G G 582 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 28 GLY G G 582 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 29 TRP W W 583 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 29 TRP W W 583 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 30 THR T T 584 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 30 THR T T 584 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 31 GLY G G 585 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 31 GLY G G 585 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 32 MET M M 586 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 32 MET M M 586 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 33 LEU L L 587 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 33 LEU L L 587 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 34 ASP D D 588 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 34 ASP D D 588 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 35 LYS K K 589 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 35 LYS K K 589 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 36 GLY G G 590 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 36 GLY G G 590 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 37 ALA A A 591 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 37 ALA A A 591 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 38 ASP D D 592 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 38 ASP D D 592 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 39 VAL V V 593 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 39 VAL V V 593 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 40 ASP D D 594 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 40 ASP D D 594 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 41 ALA A A 595 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 41 ALA A A 595 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 42 GLY G G 596 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 42 GLY G G 596 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 43 GLY G G 597 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 43 GLY G G 597 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 44 SER S S 598 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 44 SER S S 598 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 45 GLN Q Q 599 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 45 GLN Q Q 599 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 46 HIS H H 600 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 46 HIS H H 600 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 47 ASN N N 601 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 47 ASN N N 601 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 48 ARG R R 602 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 48 ARG R R 602 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 49 VAL V V 603 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 49 VAL V V 603 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 50 VAL V V 604 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 50 VAL V V 604 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 51 TYR Y Y 605 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 51 TYR Y Y 605 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 52 GLN Q Q 606 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 52 GLN Q Q 606 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 53 ASN N N 607 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 53 ASN N N 607 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 54 PRO P P 608 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 54 PRO P P 608 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 55 PRO P P 609 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 55 PRO P P 609 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 56 ALA A A 610 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 56 ALA A A 610 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 57 GLY G G 611 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 57 GLY G G 611 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 58 THR T T 612 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 58 THR T T 612 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 59 GLY G G 613 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 59 GLY G G 613 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 60 VAL V V 614 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 60 VAL V V 614 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 61 ASN N N 615 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 61 ASN N N 615 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 62 ARG R R 616 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 62 ARG R R 616 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 63 ASP D D 617 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 63 ASP D D 617 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 64 GLY G G 618 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 64 GLY G G 618 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 65 ILE I I 619 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 65 ILE I I 619 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 66 ILE I I 620 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 66 ILE I I 620 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 67 THR T T 621 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 67 THR T T 621 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 68 LEU L L 622 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 68 LEU L L 622 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 69 ARG R R 623 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 69 ARG R R 623 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 70 PHE F F 624 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 70 PHE F F 624 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 71 GLY G G 625 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 71 GLY G G 625 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 1 
1 A 1 72 GLN Q Q 626 P9WI81 1 1 ? y 1 Pfam PF03793    ?       1 1 
1 A 2 72 GLN Q Q 626 P9WI81 1 1 ? y 1 CATH 3.30.10.20 5e0yA00 1 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  GLY 1  555 ?   ?   ?   A . n 
A 1 2  HIS 2  556 ?   ?   ?   A . n 
A 1 3  MET 3  557 ?   ?   ?   A . n 
A 1 4  GLY 4  558 ?   ?   ?   A . n 
A 1 5  ASN 5  559 559 ASN ASN A . n 
A 1 6  GLN 6  560 560 GLN GLN A . n 
A 1 7  PHE 7  561 561 PHE PHE A . n 
A 1 8  VAL 8  562 562 VAL VAL A . n 
A 1 9  MET 9  563 563 MET MET A . n 
A 1 10 PRO 10 564 564 PRO PRO A . n 
A 1 11 ASP 11 565 565 ASP ASP A . n 
A 1 12 LEU 12 566 566 LEU LEU A . n 
A 1 13 SER 13 567 567 SER SER A . n 
A 1 14 GLY 14 568 568 GLY GLY A . n 
A 1 15 MET 15 569 569 MET MET A . n 
A 1 16 PHE 16 570 570 PHE PHE A . n 
A 1 17 TRP 17 571 571 TRP TRP A . n 
A 1 18 VAL 18 572 572 VAL VAL A . n 
A 1 19 ASP 19 573 573 ASP ASP A . n 
A 1 20 ALA 20 574 574 ALA ALA A . n 
A 1 21 GLU 21 575 575 GLU GLU A . n 
A 1 22 PRO 22 576 576 PRO PRO A . n 
A 1 23 ARG 23 577 577 ARG ARG A . n 
A 1 24 LEU 24 578 578 LEU LEU A . n 
A 1 25 ARG 25 579 579 ARG ARG A . n 
A 1 26 ALA 26 580 580 ALA ALA A . n 
A 1 27 LEU 27 581 581 LEU LEU A . n 
A 1 28 GLY 28 582 582 GLY GLY A . n 
A 1 29 TRP 29 583 583 TRP TRP A . n 
A 1 30 THR 30 584 584 THR THR A . n 
A 1 31 GLY 31 585 585 GLY GLY A . n 
A 1 32 MET 32 586 586 MET MET A . n 
A 1 33 LEU 33 587 587 LEU LEU A . n 
A 1 34 ASP 34 588 588 ASP ASP A . n 
A 1 35 LYS 35 589 589 LYS LYS A . n 
A 1 36 GLY 36 590 590 GLY GLY A . n 
A 1 37 ALA 37 591 591 ALA ALA A . n 
A 1 38 ASP 38 592 592 ASP ASP A . n 
A 1 39 VAL 39 593 593 VAL VAL A . n 
A 1 40 ASP 40 594 594 ASP ASP A . n 
A 1 41 ALA 41 595 595 ALA ALA A . n 
A 1 42 GLY 42 596 596 GLY GLY A . n 
A 1 43 GLY 43 597 597 GLY GLY A . n 
A 1 44 SER 44 598 598 SER SER A . n 
A 1 45 GLN 45 599 599 GLN GLN A . n 
A 1 46 HIS 46 600 600 HIS HIS A . n 
A 1 47 ASN 47 601 601 ASN ASN A . n 
A 1 48 ARG 48 602 602 ARG ARG A . n 
A 1 49 VAL 49 603 603 VAL VAL A . n 
A 1 50 VAL 50 604 604 VAL VAL A . n 
A 1 51 TYR 51 605 605 TYR TYR A . n 
A 1 52 GLN 52 606 606 GLN GLN A . n 
A 1 53 ASN 53 607 607 ASN ASN A . n 
A 1 54 PRO 54 608 608 PRO PRO A . n 
A 1 55 PRO 55 609 609 PRO PRO A . n 
A 1 56 ALA 56 610 610 ALA ALA A . n 
A 1 57 GLY 57 611 611 GLY GLY A . n 
A 1 58 THR 58 612 612 THR THR A . n 
A 1 59 GLY 59 613 613 GLY GLY A . n 
A 1 60 VAL 60 614 614 VAL VAL A . n 
A 1 61 ASN 61 615 615 ASN ASN A . n 
A 1 62 ARG 62 616 616 ARG ARG A . n 
A 1 63 ASP 63 617 617 ASP ASP A . n 
A 1 64 GLY 64 618 618 GLY GLY A . n 
A 1 65 ILE 65 619 619 ILE ILE A . n 
A 1 66 ILE 66 620 620 ILE ILE A . n 
A 1 67 THR 67 621 621 THR THR A . n 
A 1 68 LEU 68 622 622 LEU LEU A . n 
A 1 69 ARG 69 623 623 ARG ARG A . n 
A 1 70 PHE 70 624 624 PHE PHE A . n 
A 1 71 GLY 71 625 625 GLY GLY A . n 
A 1 72 GLN 72 626 626 GLN GLN A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 ZN  1  701 1  ZN  ZN  A . 
C 2 ZN  1  702 2  ZN  ZN  A . 
D 2 ZN  1  703 4  ZN  ZN  A . 
E 2 ZN  1  704 5  ZN  ZN  A . 
F 2 ZN  1  705 6  ZN  ZN  A . 
G 2 ZN  1  706 7  ZN  ZN  A . 
H 2 ZN  1  707 8  ZN  ZN  A . 
I 2 ZN  1  708 9  ZN  ZN  A . 
J 3 HOH 1  801 9  HOH HOH A . 
J 3 HOH 2  802 18 HOH HOH A . 
J 3 HOH 3  803 2  HOH HOH A . 
J 3 HOH 4  804 1  HOH HOH A . 
J 3 HOH 5  805 25 HOH HOH A . 
J 3 HOH 6  806 31 HOH HOH A . 
J 3 HOH 7  807 44 HOH HOH A . 
J 3 HOH 8  808 24 HOH HOH A . 
J 3 HOH 9  809 33 HOH HOH A . 
J 3 HOH 10 810 39 HOH HOH A . 
J 3 HOH 11 811 14 HOH HOH A . 
J 3 HOH 12 812 47 HOH HOH A . 
J 3 HOH 13 813 46 HOH HOH A . 
J 3 HOH 14 814 22 HOH HOH A . 
J 3 HOH 15 815 23 HOH HOH A . 
J 3 HOH 16 816 5  HOH HOH A . 
J 3 HOH 17 817 19 HOH HOH A . 
J 3 HOH 18 818 6  HOH HOH A . 
J 3 HOH 19 819 12 HOH HOH A . 
J 3 HOH 20 820 11 HOH HOH A . 
J 3 HOH 21 821 16 HOH HOH A . 
J 3 HOH 22 822 13 HOH HOH A . 
J 3 HOH 23 823 50 HOH HOH A . 
J 3 HOH 24 824 27 HOH HOH A . 
J 3 HOH 25 825 36 HOH HOH A . 
J 3 HOH 26 826 8  HOH HOH A . 
J 3 HOH 27 827 45 HOH HOH A . 
J 3 HOH 28 828 26 HOH HOH A . 
J 3 HOH 29 829 20 HOH HOH A . 
J 3 HOH 30 830 17 HOH HOH A . 
J 3 HOH 31 831 10 HOH HOH A . 
J 3 HOH 32 832 4  HOH HOH A . 
J 3 HOH 33 833 7  HOH HOH A . 
J 3 HOH 34 834 32 HOH HOH A . 
J 3 HOH 35 835 34 HOH HOH A . 
J 3 HOH 36 836 41 HOH HOH A . 
J 3 HOH 37 837 40 HOH HOH A . 
J 3 HOH 38 838 49 HOH HOH A . 
J 3 HOH 39 839 30 HOH HOH A . 
J 3 HOH 40 840 21 HOH HOH A . 
J 3 HOH 41 841 3  HOH HOH A . 
J 3 HOH 42 842 43 HOH HOH A . 
J 3 HOH 43 843 38 HOH HOH A . 
J 3 HOH 44 844 15 HOH HOH A . 
J 3 HOH 45 845 37 HOH HOH A . 
J 3 HOH 46 846 35 HOH HOH A . 
J 3 HOH 47 847 29 HOH HOH A . 
J 3 HOH 48 848 48 HOH HOH A . 
J 3 HOH 49 849 42 HOH HOH A . 
J 3 HOH 50 850 28 HOH HOH A . 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.pdbx_label_index 
_atom_site.pdbx_sifts_xref_db_name 
_atom_site.pdbx_sifts_xref_db_acc 
_atom_site.pdbx_sifts_xref_db_num 
_atom_site.pdbx_sifts_xref_db_res 
ATOM   1   N  N   . ASN A 1 5  ? 14.274 10.046 51.697 1.00 41.55 ? 559 ASN A N   1 5   UNP P9WI81 559 N 
ATOM   2   C  CA  . ASN A 1 5  ? 12.884 10.351 51.236 1.00 29.75 ? 559 ASN A CA  1 5   UNP P9WI81 559 N 
ATOM   3   C  C   . ASN A 1 5  ? 11.738 9.380  51.596 1.00 41.24 ? 559 ASN A C   1 5   UNP P9WI81 559 N 
ATOM   4   O  O   . ASN A 1 5  ? 11.336 8.442  50.866 1.00 56.63 ? 559 ASN A O   1 5   UNP P9WI81 559 N 
ATOM   5   C  CB  . ASN A 1 5  ? 12.902 10.621 49.731 1.00 42.84 ? 559 ASN A CB  1 5   UNP P9WI81 559 N 
ATOM   6   C  CG  . ASN A 1 5  ? 11.566 10.988 49.162 1.00 57.17 ? 559 ASN A CG  1 5   UNP P9WI81 559 N 
ATOM   7   O  OD1 . ASN A 1 5  ? 11.117 10.332 48.195 1.00 58.32 ? 559 ASN A OD1 1 5   UNP P9WI81 559 N 
ATOM   8   N  ND2 . ASN A 1 5  ? 10.825 11.844 49.876 1.00 50.01 ? 559 ASN A ND2 1 5   UNP P9WI81 559 N 
ATOM   9   N  N   A GLN A 1 6  ? 11.198 9.648  52.776 0.71 37.95 ? 560 GLN A N   1 6   UNP P9WI81 560 Q 
ATOM   10  N  N   B GLN A 1 6  ? 11.218 9.635  52.783 0.29 37.61 ? 560 GLN A N   1 6   UNP P9WI81 560 Q 
ATOM   11  C  CA  A GLN A 1 6  ? 10.013 8.992  53.269 0.71 32.68 ? 560 GLN A CA  1 6   UNP P9WI81 560 Q 
ATOM   12  C  CA  B GLN A 1 6  ? 10.008 9.006  53.231 0.29 32.68 ? 560 GLN A CA  1 6   UNP P9WI81 560 Q 
ATOM   13  C  C   A GLN A 1 6  ? 9.100  10.033 53.924 0.71 31.58 ? 560 GLN A C   1 6   UNP P9WI81 560 Q 
ATOM   14  C  C   B GLN A 1 6  ? 9.156  9.984  54.064 0.29 31.14 ? 560 GLN A C   1 6   UNP P9WI81 560 Q 
ATOM   15  O  O   A GLN A 1 6  ? 7.921  9.755  54.151 0.71 33.38 ? 560 GLN A O   1 6   UNP P9WI81 560 Q 
ATOM   16  O  O   B GLN A 1 6  ? 8.071  9.613  54.530 0.29 32.03 ? 560 GLN A O   1 6   UNP P9WI81 560 Q 
ATOM   17  C  CB  A GLN A 1 6  ? 10.378 7.914  54.268 0.71 28.87 ? 560 GLN A CB  1 6   UNP P9WI81 560 Q 
ATOM   18  C  CB  B GLN A 1 6  ? 10.327 7.743  54.019 0.29 29.70 ? 560 GLN A CB  1 6   UNP P9WI81 560 Q 
ATOM   19  C  CG  A GLN A 1 6  ? 9.265  6.920  54.603 0.71 35.34 ? 560 GLN A CG  1 6   UNP P9WI81 560 Q 
ATOM   20  C  CG  B GLN A 1 6  ? 11.039 7.944  55.348 0.29 33.14 ? 560 GLN A CG  1 6   UNP P9WI81 560 Q 
ATOM   21  C  CD  A GLN A 1 6  ? 9.797  5.569  55.086 0.71 41.45 ? 560 GLN A CD  1 6   UNP P9WI81 560 Q 
ATOM   22  C  CD  B GLN A 1 6  ? 11.863 6.724  55.771 0.29 41.55 ? 560 GLN A CD  1 6   UNP P9WI81 560 Q 
ATOM   23  O  OE1 A GLN A 1 6  ? 10.977 5.263  54.913 0.71 53.83 ? 560 GLN A OE1 1 6   UNP P9WI81 560 Q 
ATOM   24  O  OE1 B GLN A 1 6  ? 11.384 5.856  56.505 0.29 54.50 ? 560 GLN A OE1 1 6   UNP P9WI81 560 Q 
ATOM   25  N  NE2 A GLN A 1 6  ? 8.917  4.747  55.672 0.71 37.97 ? 560 GLN A NE2 1 6   UNP P9WI81 560 Q 
ATOM   26  N  NE2 B GLN A 1 6  ? 13.113 6.665  55.315 0.29 38.60 ? 560 GLN A NE2 1 6   UNP P9WI81 560 Q 
ATOM   27  N  N   . PHE A 1 7  ? 9.640  11.219 54.232 1.00 31.60 ? 561 PHE A N   1 7   UNP P9WI81 561 F 
ATOM   28  C  CA  . PHE A 1 7  ? 8.810  12.368 54.649 1.00 21.92 ? 561 PHE A CA  1 7   UNP P9WI81 561 F 
ATOM   29  C  C   . PHE A 1 7  ? 9.486  13.659 54.184 1.00 25.70 ? 561 PHE A C   1 7   UNP P9WI81 561 F 
ATOM   30  O  O   . PHE A 1 7  ? 10.704 13.824 54.287 1.00 29.36 ? 561 PHE A O   1 7   UNP P9WI81 561 F 
ATOM   31  C  CB  . PHE A 1 7  ? 8.528  12.362 56.161 1.00 23.96 ? 561 PHE A CB  1 7   UNP P9WI81 561 F 
ATOM   32  C  CG  . PHE A 1 7  ? 9.580  13.020 57.037 1.00 23.18 ? 561 PHE A CG  1 7   UNP P9WI81 561 F 
ATOM   33  C  CD1 . PHE A 1 7  ? 9.647  14.402 57.165 1.00 24.07 ? 561 PHE A CD1 1 7   UNP P9WI81 561 F 
ATOM   34  C  CD2 . PHE A 1 7  ? 10.419 12.250 57.829 1.00 26.60 ? 561 PHE A CD2 1 7   UNP P9WI81 561 F 
ATOM   35  C  CE1 . PHE A 1 7  ? 10.572 15.001 58.003 1.00 18.34 ? 561 PHE A CE1 1 7   UNP P9WI81 561 F 
ATOM   36  C  CE2 . PHE A 1 7  ? 11.349 12.845 58.684 1.00 27.12 ? 561 PHE A CE2 1 7   UNP P9WI81 561 F 
ATOM   37  C  CZ  . PHE A 1 7  ? 11.419 14.226 58.771 1.00 27.38 ? 561 PHE A CZ  1 7   UNP P9WI81 561 F 
ATOM   38  N  N   . VAL A 1 8  ? 8.671  14.559 53.652 1.00 22.51 ? 562 VAL A N   1 8   UNP P9WI81 562 V 
ATOM   39  C  CA  . VAL A 1 8  ? 9.155  15.812 53.094 1.00 24.03 ? 562 VAL A CA  1 8   UNP P9WI81 562 V 
ATOM   40  C  C   . VAL A 1 8  ? 9.503  16.806 54.194 1.00 24.15 ? 562 VAL A C   1 8   UNP P9WI81 562 V 
ATOM   41  O  O   . VAL A 1 8  ? 8.700  17.074 55.089 1.00 20.28 ? 562 VAL A O   1 8   UNP P9WI81 562 V 
ATOM   42  C  CB  . VAL A 1 8  ? 8.115  16.444 52.145 1.00 27.12 ? 562 VAL A CB  1 8   UNP P9WI81 562 V 
ATOM   43  C  CG1 . VAL A 1 8  ? 8.655  17.723 51.544 1.00 28.06 ? 562 VAL A CG1 1 8   UNP P9WI81 562 V 
ATOM   44  C  CG2 . VAL A 1 8  ? 7.733  15.457 51.051 1.00 26.29 ? 562 VAL A CG2 1 8   UNP P9WI81 562 V 
ATOM   45  N  N   . MET A 1 9  ? 10.714 17.345 54.114 1.00 24.13 ? 563 MET A N   1 9   UNP P9WI81 563 M 
ATOM   46  C  CA  . MET A 1 9  ? 11.214 18.283 55.110 1.00 17.82 ? 563 MET A CA  1 9   UNP P9WI81 563 M 
ATOM   47  C  C   . MET A 1 9  ? 10.393 19.569 55.134 1.00 18.85 ? 563 MET A C   1 9   UNP P9WI81 563 M 
ATOM   48  O  O   . MET A 1 9  ? 10.216 20.218 54.106 1.00 19.18 ? 563 MET A O   1 9   UNP P9WI81 563 M 
ATOM   49  C  CB  . MET A 1 9  ? 12.684 18.603 54.832 1.00 21.70 ? 563 MET A CB  1 9   UNP P9WI81 563 M 
ATOM   50  C  CG  . MET A 1 9  ? 13.386 19.347 55.949 1.00 23.04 ? 563 MET A CG  1 9   UNP P9WI81 563 M 
ATOM   51  S  SD  . MET A 1 9  ? 13.716 18.303 57.378 1.00 24.43 ? 563 MET A SD  1 9   UNP P9WI81 563 M 
ATOM   52  C  CE  . MET A 1 9  ? 14.475 19.496 58.480 1.00 15.38 ? 563 MET A CE  1 9   UNP P9WI81 563 M 
ATOM   53  N  N   . PRO A 1 10 ? 9.880  19.938 56.315 1.00 14.19 ? 564 PRO A N   1 10  UNP P9WI81 564 P 
ATOM   54  C  CA  . PRO A 1 10 ? 9.152  21.200 56.473 1.00 20.98 ? 564 PRO A CA  1 10  UNP P9WI81 564 P 
ATOM   55  C  C   . PRO A 1 10 ? 10.099 22.391 56.578 1.00 19.37 ? 564 PRO A C   1 10  UNP P9WI81 564 P 
ATOM   56  O  O   . PRO A 1 10 ? 11.290 22.206 56.830 1.00 15.37 ? 564 PRO A O   1 10  UNP P9WI81 564 P 
ATOM   57  C  CB  . PRO A 1 10 ? 8.386  20.996 57.781 1.00 14.25 ? 564 PRO A CB  1 10  UNP P9WI81 564 P 
ATOM   58  C  CG  . PRO A 1 10 ? 9.263  20.079 58.571 1.00 15.24 ? 564 PRO A CG  1 10  UNP P9WI81 564 P 
ATOM   59  C  CD  . PRO A 1 10 ? 9.899  19.151 57.560 1.00 14.17 ? 564 PRO A CD  1 10  UNP P9WI81 564 P 
ATOM   60  N  N   . ASP A 1 11 ? 9.575  23.597 56.383 1.00 14.69 ? 565 ASP A N   1 11  UNP P9WI81 565 D 
ATOM   61  C  CA  . ASP A 1 11 ? 10.357 24.809 56.596 1.00 20.93 ? 565 ASP A CA  1 11  UNP P9WI81 565 D 
ATOM   62  C  C   . ASP A 1 11 ? 10.293 25.187 58.071 1.00 16.46 ? 565 ASP A C   1 11  UNP P9WI81 565 D 
ATOM   63  O  O   . ASP A 1 11 ? 9.266  25.661 58.552 1.00 24.69 ? 565 ASP A O   1 11  UNP P9WI81 565 D 
ATOM   64  C  CB  . ASP A 1 11 ? 9.843  25.952 55.715 1.00 21.86 ? 565 ASP A CB  1 11  UNP P9WI81 565 D 
ATOM   65  C  CG  . ASP A 1 11 ? 10.589 27.256 55.948 1.00 24.04 ? 565 ASP A CG  1 11  UNP P9WI81 565 D 
ATOM   66  O  OD1 . ASP A 1 11 ? 11.701 27.227 56.515 1.00 20.60 ? 565 ASP A OD1 1 11  UNP P9WI81 565 D 
ATOM   67  O  OD2 . ASP A 1 11 ? 10.062 28.317 55.558 1.00 26.27 ? 565 ASP A OD2 1 11  UNP P9WI81 565 D 
ATOM   68  N  N   . LEU A 1 12 ? 11.396 24.975 58.782 1.00 12.33 ? 566 LEU A N   1 12  UNP P9WI81 566 L 
ATOM   69  C  CA  . LEU A 1 12 ? 11.432 25.174 60.225 1.00 13.20 ? 566 LEU A CA  1 12  UNP P9WI81 566 L 
ATOM   70  C  C   . LEU A 1 12 ? 11.876 26.577 60.628 1.00 18.25 ? 566 LEU A C   1 12  UNP P9WI81 566 L 
ATOM   71  O  O   . LEU A 1 12 ? 11.994 26.870 61.821 1.00 15.49 ? 566 LEU A O   1 12  UNP P9WI81 566 L 
ATOM   72  C  CB  . LEU A 1 12 ? 12.362 24.146 60.874 1.00 13.58 ? 566 LEU A CB  1 12  UNP P9WI81 566 L 
ATOM   73  C  CG  . LEU A 1 12 ? 12.009 22.669 60.697 1.00 16.07 ? 566 LEU A CG  1 12  UNP P9WI81 566 L 
ATOM   74  C  CD1 . LEU A 1 12 ? 13.141 21.795 61.198 1.00 17.24 ? 566 LEU A CD1 1 12  UNP P9WI81 566 L 
ATOM   75  C  CD2 . LEU A 1 12 ? 10.714 22.337 61.424 1.00 7.16  ? 566 LEU A CD2 1 12  UNP P9WI81 566 L 
ATOM   76  N  N   . SER A 1 13 ? 12.131 27.433 59.642 1.00 15.00 ? 567 SER A N   1 13  UNP P9WI81 567 S 
ATOM   77  C  CA  . SER A 1 13 ? 12.640 28.783 59.899 1.00 9.40  ? 567 SER A CA  1 13  UNP P9WI81 567 S 
ATOM   78  C  C   . SER A 1 13 ? 11.762 29.571 60.871 1.00 17.31 ? 567 SER A C   1 13  UNP P9WI81 567 S 
ATOM   79  O  O   . SER A 1 13 ? 10.553 29.683 60.678 1.00 18.60 ? 567 SER A O   1 13  UNP P9WI81 567 S 
ATOM   80  C  CB  . SER A 1 13 ? 12.769 29.564 58.587 1.00 18.59 ? 567 SER A CB  1 13  UNP P9WI81 567 S 
ATOM   81  O  OG  . SER A 1 13 ? 13.636 28.906 57.681 1.00 22.94 ? 567 SER A OG  1 13  UNP P9WI81 567 S 
ATOM   82  N  N   . GLY A 1 14 ? 12.380 30.105 61.919 1.00 17.68 ? 568 GLY A N   1 14  UNP P9WI81 568 G 
ATOM   83  C  CA  . GLY A 1 14 ? 11.685 30.963 62.862 1.00 15.65 ? 568 GLY A CA  1 14  UNP P9WI81 568 G 
ATOM   84  C  C   . GLY A 1 14 ? 11.148 30.277 64.104 1.00 23.88 ? 568 GLY A C   1 14  UNP P9WI81 568 G 
ATOM   85  O  O   . GLY A 1 14 ? 10.679 30.943 65.023 1.00 16.54 ? 568 GLY A O   1 14  UNP P9WI81 568 G 
ATOM   86  N  N   . MET A 1 15 ? 11.211 28.949 64.136 1.00 13.66 ? 569 MET A N   1 15  UNP P9WI81 569 M 
ATOM   87  C  CA  . MET A 1 15 ? 10.696 28.191 65.273 1.00 20.57 ? 569 MET A CA  1 15  UNP P9WI81 569 M 
ATOM   88  C  C   . MET A 1 15 ? 11.717 28.076 66.399 1.00 17.35 ? 569 MET A C   1 15  UNP P9WI81 569 M 
ATOM   89  O  O   . MET A 1 15 ? 12.920 28.023 66.152 1.00 20.77 ? 569 MET A O   1 15  UNP P9WI81 569 M 
ATOM   90  C  CB  . MET A 1 15 ? 10.271 26.783 64.835 1.00 10.61 ? 569 MET A CB  1 15  UNP P9WI81 569 M 
ATOM   91  C  CG  . MET A 1 15 ? 9.304  26.737 63.666 1.00 20.14 ? 569 MET A CG  1 15  UNP P9WI81 569 M 
ATOM   92  S  SD  . MET A 1 15 ? 8.697  25.062 63.362 1.00 20.01 ? 569 MET A SD  1 15  UNP P9WI81 569 M 
ATOM   93  C  CE  . MET A 1 15 ? 7.683  24.805 64.810 1.00 12.50 ? 569 MET A CE  1 15  UNP P9WI81 569 M 
ATOM   94  N  N   . PHE A 1 16 ? 11.231 28.033 67.637 1.00 23.65 ? 570 PHE A N   1 16  UNP P9WI81 570 F 
ATOM   95  C  CA  . PHE A 1 16 ? 12.078 27.671 68.771 1.00 20.95 ? 570 PHE A CA  1 16  UNP P9WI81 570 F 
ATOM   96  C  C   . PHE A 1 16 ? 12.282 26.160 68.767 1.00 30.37 ? 570 PHE A C   1 16  UNP P9WI81 570 F 
ATOM   97  O  O   . PHE A 1 16 ? 11.466 25.428 68.208 1.00 29.94 ? 570 PHE A O   1 16  UNP P9WI81 570 F 
ATOM   98  C  CB  . PHE A 1 16 ? 11.458 28.117 70.097 1.00 34.64 ? 570 PHE A CB  1 16  UNP P9WI81 570 F 
ATOM   99  C  CG  . PHE A 1 16 ? 11.346 29.609 70.253 1.00 30.46 ? 570 PHE A CG  1 16  UNP P9WI81 570 F 
ATOM   100 C  CD1 . PHE A 1 16 ? 12.457 30.372 70.582 1.00 34.29 ? 570 PHE A CD1 1 16  UNP P9WI81 570 F 
ATOM   101 C  CD2 . PHE A 1 16 ? 10.129 30.247 70.083 1.00 27.04 ? 570 PHE A CD2 1 16  UNP P9WI81 570 F 
ATOM   102 C  CE1 . PHE A 1 16 ? 12.355 31.743 70.731 1.00 37.01 ? 570 PHE A CE1 1 16  UNP P9WI81 570 F 
ATOM   103 C  CE2 . PHE A 1 16 ? 10.023 31.615 70.233 1.00 31.33 ? 570 PHE A CE2 1 16  UNP P9WI81 570 F 
ATOM   104 C  CZ  . PHE A 1 16 ? 11.136 32.363 70.557 1.00 29.50 ? 570 PHE A CZ  1 16  UNP P9WI81 570 F 
ATOM   105 N  N   . TRP A 1 17 ? 13.360 25.694 69.390 1.00 19.96 ? 571 TRP A N   1 17  UNP P9WI81 571 W 
ATOM   106 C  CA  . TRP A 1 17 ? 13.659 24.264 69.435 1.00 20.40 ? 571 TRP A CA  1 17  UNP P9WI81 571 W 
ATOM   107 C  C   . TRP A 1 17 ? 12.587 23.495 70.189 1.00 34.51 ? 571 TRP A C   1 17  UNP P9WI81 571 W 
ATOM   108 O  O   . TRP A 1 17 ? 12.328 22.329 69.896 1.00 48.44 ? 571 TRP A O   1 17  UNP P9WI81 571 W 
ATOM   109 C  CB  . TRP A 1 17 ? 15.025 24.018 70.077 1.00 34.23 ? 571 TRP A CB  1 17  UNP P9WI81 571 W 
ATOM   110 C  CG  . TRP A 1 17 ? 15.333 22.567 70.336 1.00 46.59 ? 571 TRP A CG  1 17  UNP P9WI81 571 W 
ATOM   111 C  CD1 . TRP A 1 17 ? 15.567 21.984 71.549 1.00 47.60 ? 571 TRP A CD1 1 17  UNP P9WI81 571 W 
ATOM   112 C  CD2 . TRP A 1 17 ? 15.437 21.516 69.362 1.00 34.68 ? 571 TRP A CD2 1 17  UNP P9WI81 571 W 
ATOM   113 N  NE1 . TRP A 1 17 ? 15.813 20.642 71.390 1.00 35.83 ? 571 TRP A NE1 1 17  UNP P9WI81 571 W 
ATOM   114 C  CE2 . TRP A 1 17 ? 15.742 20.333 70.063 1.00 28.42 ? 571 TRP A CE2 1 17  UNP P9WI81 571 W 
ATOM   115 C  CE3 . TRP A 1 17 ? 15.307 21.468 67.973 1.00 31.47 ? 571 TRP A CE3 1 17  UNP P9WI81 571 W 
ATOM   116 C  CZ2 . TRP A 1 17 ? 15.923 19.115 69.413 1.00 45.35 ? 571 TRP A CZ2 1 17  UNP P9WI81 571 W 
ATOM   117 C  CZ3 . TRP A 1 17 ? 15.482 20.255 67.336 1.00 37.86 ? 571 TRP A CZ3 1 17  UNP P9WI81 571 W 
ATOM   118 C  CH2 . TRP A 1 17 ? 15.786 19.096 68.054 1.00 46.70 ? 571 TRP A CH2 1 17  UNP P9WI81 571 W 
ATOM   119 N  N   A VAL A 1 18 ? 11.977 24.160 71.165 0.38 27.55 ? 572 VAL A N   1 18  UNP P9WI81 572 V 
ATOM   120 N  N   B VAL A 1 18 ? 11.959 24.149 71.162 0.62 27.56 ? 572 VAL A N   1 18  UNP P9WI81 572 V 
ATOM   121 C  CA  A VAL A 1 18 ? 10.872 23.595 71.927 0.38 24.77 ? 572 VAL A CA  1 18  UNP P9WI81 572 V 
ATOM   122 C  CA  B VAL A 1 18 ? 10.878 23.519 71.912 0.62 24.68 ? 572 VAL A CA  1 18  UNP P9WI81 572 V 
ATOM   123 C  C   A VAL A 1 18 ? 9.733  23.211 70.980 0.38 26.37 ? 572 VAL A C   1 18  UNP P9WI81 572 V 
ATOM   124 C  C   B VAL A 1 18 ? 9.674  23.260 71.012 0.62 26.46 ? 572 VAL A C   1 18  UNP P9WI81 572 V 
ATOM   125 O  O   A VAL A 1 18 ? 8.970  22.286 71.245 0.38 33.22 ? 572 VAL A O   1 18  UNP P9WI81 572 V 
ATOM   126 O  O   B VAL A 1 18 ? 8.783  22.490 71.361 0.62 35.38 ? 572 VAL A O   1 18  UNP P9WI81 572 V 
ATOM   127 C  CB  A VAL A 1 18 ? 10.375 24.595 73.005 0.38 24.46 ? 572 VAL A CB  1 18  UNP P9WI81 572 V 
ATOM   128 C  CB  B VAL A 1 18 ? 10.436 24.373 73.117 0.62 24.69 ? 572 VAL A CB  1 18  UNP P9WI81 572 V 
ATOM   129 C  CG1 A VAL A 1 18 ? 9.049  24.160 73.607 0.38 22.61 ? 572 VAL A CG1 1 18  UNP P9WI81 572 V 
ATOM   130 C  CG1 B VAL A 1 18 ? 11.560 24.474 74.138 0.62 28.03 ? 572 VAL A CG1 1 18  UNP P9WI81 572 V 
ATOM   131 C  CG2 A VAL A 1 18 ? 11.424 24.765 74.092 0.38 27.73 ? 572 VAL A CG2 1 18  UNP P9WI81 572 V 
ATOM   132 C  CG2 B VAL A 1 18 ? 9.990  25.752 72.660 0.62 16.71 ? 572 VAL A CG2 1 18  UNP P9WI81 572 V 
ATOM   133 N  N   . ASP A 1 19 ? 9.648  23.906 69.851 1.00 24.58 ? 573 ASP A N   1 19  UNP P9WI81 573 D 
ATOM   134 C  CA  . ASP A 1 19 ? 8.587  23.666 68.884 1.00 20.56 ? 573 ASP A CA  1 19  UNP P9WI81 573 D 
ATOM   135 C  C   . ASP A 1 19 ? 9.102  22.951 67.634 1.00 24.51 ? 573 ASP A C   1 19  UNP P9WI81 573 D 
ATOM   136 O  O   . ASP A 1 19 ? 8.363  22.208 66.988 1.00 21.42 ? 573 ASP A O   1 19  UNP P9WI81 573 D 
ATOM   137 C  CB  . ASP A 1 19 ? 7.918  24.984 68.499 1.00 18.23 ? 573 ASP A CB  1 19  UNP P9WI81 573 D 
ATOM   138 C  CG  . ASP A 1 19 ? 7.295  25.685 69.689 1.00 26.54 ? 573 ASP A CG  1 19  UNP P9WI81 573 D 
ATOM   139 O  OD1 . ASP A 1 19 ? 6.629  25.003 70.495 1.00 22.96 ? 573 ASP A OD1 1 19  UNP P9WI81 573 D 
ATOM   140 O  OD2 . ASP A 1 19 ? 7.479  26.913 69.823 1.00 24.62 ? 573 ASP A OD2 1 19  UNP P9WI81 573 D 
ATOM   141 N  N   . ALA A 1 20 ? 10.372 23.169 67.302 1.00 15.19 ? 574 ALA A N   1 20  UNP P9WI81 574 A 
ATOM   142 C  CA  . ALA A 1 20 ? 10.958 22.600 66.090 1.00 17.09 ? 574 ALA A CA  1 20  UNP P9WI81 574 A 
ATOM   143 C  C   . ALA A 1 20 ? 11.056 21.075 66.143 1.00 26.29 ? 574 ALA A C   1 20  UNP P9WI81 574 A 
ATOM   144 O  O   . ALA A 1 20 ? 10.689 20.395 65.183 1.00 19.33 ? 574 ALA A O   1 20  UNP P9WI81 574 A 
ATOM   145 C  CB  . ALA A 1 20 ? 12.328 23.201 65.840 1.00 19.04 ? 574 ALA A CB  1 20  UNP P9WI81 574 A 
ATOM   146 N  N   . GLU A 1 21 ? 11.549 20.535 67.256 1.00 29.66 ? 575 GLU A N   1 21  UNP P9WI81 575 E 
ATOM   147 C  CA  . GLU A 1 21 ? 11.722 19.087 67.363 1.00 34.09 ? 575 GLU A CA  1 21  UNP P9WI81 575 E 
ATOM   148 C  C   . GLU A 1 21 ? 10.413 18.298 67.382 1.00 21.46 ? 575 GLU A C   1 21  UNP P9WI81 575 E 
ATOM   149 O  O   . GLU A 1 21 ? 10.270 17.349 66.612 1.00 29.44 ? 575 GLU A O   1 21  UNP P9WI81 575 E 
ATOM   150 C  CB  . GLU A 1 21 ? 12.535 18.716 68.601 1.00 36.76 ? 575 GLU A CB  1 21  UNP P9WI81 575 E 
ATOM   151 C  CG  . GLU A 1 21 ? 12.772 17.217 68.697 1.00 42.61 ? 575 GLU A CG  1 21  UNP P9WI81 575 E 
ATOM   152 C  CD  . GLU A 1 21 ? 13.715 16.835 69.810 1.00 43.15 ? 575 GLU A CD  1 21  UNP P9WI81 575 E 
ATOM   153 O  OE1 . GLU A 1 21 ? 13.748 17.550 70.834 1.00 41.55 ? 575 GLU A OE1 1 21  UNP P9WI81 575 E 
ATOM   154 O  OE2 . GLU A 1 21 ? 14.428 15.821 69.652 1.00 32.81 ? 575 GLU A OE2 1 21  UNP P9WI81 575 E 
ATOM   155 N  N   . PRO A 1 22 ? 9.461  18.664 68.266 1.00 27.66 ? 576 PRO A N   1 22  UNP P9WI81 576 P 
ATOM   156 C  CA  . PRO A 1 22 ? 8.220  17.884 68.267 1.00 24.88 ? 576 PRO A CA  1 22  UNP P9WI81 576 P 
ATOM   157 C  C   . PRO A 1 22 ? 7.504  17.906 66.924 1.00 24.42 ? 576 PRO A C   1 22  UNP P9WI81 576 P 
ATOM   158 O  O   . PRO A 1 22 ? 6.769  16.973 66.611 1.00 22.13 ? 576 PRO A O   1 22  UNP P9WI81 576 P 
ATOM   159 C  CB  . PRO A 1 22 ? 7.370  18.575 69.336 1.00 26.74 ? 576 PRO A CB  1 22  UNP P9WI81 576 P 
ATOM   160 C  CG  . PRO A 1 22 ? 7.951  19.918 69.490 1.00 20.35 ? 576 PRO A CG  1 22  UNP P9WI81 576 P 
ATOM   161 C  CD  . PRO A 1 22 ? 9.414  19.735 69.278 1.00 23.98 ? 576 PRO A CD  1 22  UNP P9WI81 576 P 
ATOM   162 N  N   . ARG A 1 23 ? 7.716  18.961 66.147 1.00 23.46 ? 577 ARG A N   1 23  UNP P9WI81 577 R 
ATOM   163 C  CA  . ARG A 1 23 ? 7.148  19.026 64.811 1.00 17.35 ? 577 ARG A CA  1 23  UNP P9WI81 577 R 
ATOM   164 C  C   . ARG A 1 23 ? 7.780  17.954 63.931 1.00 17.50 ? 577 ARG A C   1 23  UNP P9WI81 577 R 
ATOM   165 O  O   . ARG A 1 23 ? 7.090  17.273 63.172 1.00 18.64 ? 577 ARG A O   1 23  UNP P9WI81 577 R 
ATOM   166 C  CB  . ARG A 1 23 ? 7.350  20.407 64.191 1.00 16.67 ? 577 ARG A CB  1 23  UNP P9WI81 577 R 
ATOM   167 C  CG  . ARG A 1 23 ? 6.713  20.523 62.821 1.00 14.04 ? 577 ARG A CG  1 23  UNP P9WI81 577 R 
ATOM   168 C  CD  . ARG A 1 23 ? 6.815  21.920 62.239 1.00 15.89 ? 577 ARG A CD  1 23  UNP P9WI81 577 R 
ATOM   169 N  NE  . ARG A 1 23 ? 6.127  21.983 60.955 1.00 13.80 ? 577 ARG A NE  1 23  UNP P9WI81 577 R 
ATOM   170 C  CZ  . ARG A 1 23 ? 6.148  23.031 60.140 1.00 15.22 ? 577 ARG A CZ  1 23  UNP P9WI81 577 R 
ATOM   171 N  NH1 . ARG A 1 23 ? 6.831  24.121 60.470 1.00 22.69 ? 577 ARG A NH1 1 23  UNP P9WI81 577 R 
ATOM   172 N  NH2 . ARG A 1 23 ? 5.485  22.982 58.993 1.00 21.75 ? 577 ARG A NH2 1 23  UNP P9WI81 577 R 
ATOM   173 N  N   . LEU A 1 24 ? 9.096  17.806 64.044 1.00 15.13 ? 578 LEU A N   1 24  UNP P9WI81 578 L 
ATOM   174 C  CA  . LEU A 1 24 ? 9.817  16.788 63.292 1.00 17.64 ? 578 LEU A CA  1 24  UNP P9WI81 578 L 
ATOM   175 C  C   . LEU A 1 24 ? 9.459  15.385 63.779 1.00 20.60 ? 578 LEU A C   1 24  UNP P9WI81 578 L 
ATOM   176 O  O   . LEU A 1 24 ? 9.200  14.488 62.974 1.00 17.96 ? 578 LEU A O   1 24  UNP P9WI81 578 L 
ATOM   177 C  CB  . LEU A 1 24 ? 11.328 17.011 63.391 1.00 19.53 ? 578 LEU A CB  1 24  UNP P9WI81 578 L 
ATOM   178 C  CG  . LEU A 1 24 ? 11.882 18.210 62.623 1.00 16.39 ? 578 LEU A CG  1 24  UNP P9WI81 578 L 
ATOM   179 C  CD1 . LEU A 1 24 ? 13.343 18.443 62.969 1.00 15.05 ? 578 LEU A CD1 1 24  UNP P9WI81 578 L 
ATOM   180 C  CD2 . LEU A 1 24 ? 11.709 18.008 61.126 1.00 10.22 ? 578 LEU A CD2 1 24  UNP P9WI81 578 L 
ATOM   181 N  N   . ARG A 1 25 ? 9.439  15.203 65.095 1.00 15.22 ? 579 ARG A N   1 25  UNP P9WI81 579 R 
ATOM   182 C  CA  . ARG A 1 25 ? 9.127  13.906 65.689 1.00 21.16 ? 579 ARG A CA  1 25  UNP P9WI81 579 R 
ATOM   183 C  C   . ARG A 1 25 ? 7.715  13.445 65.325 1.00 19.67 ? 579 ARG A C   1 25  UNP P9WI81 579 R 
ATOM   184 O  O   . ARG A 1 25 ? 7.470  12.251 65.157 1.00 13.00 ? 579 ARG A O   1 25  UNP P9WI81 579 R 
ATOM   185 C  CB  . ARG A 1 25 ? 9.280  13.961 67.213 1.00 19.40 ? 579 ARG A CB  1 25  UNP P9WI81 579 R 
ATOM   186 C  CG  . ARG A 1 25 ? 10.683 14.294 67.705 1.00 23.49 ? 579 ARG A CG  1 25  UNP P9WI81 579 R 
ATOM   187 C  CD  . ARG A 1 25 ? 11.692 13.230 67.302 1.00 23.60 ? 579 ARG A CD  1 25  UNP P9WI81 579 R 
ATOM   188 N  NE  . ARG A 1 25 ? 13.045 13.568 67.742 1.00 25.38 ? 579 ARG A NE  1 25  UNP P9WI81 579 R 
ATOM   189 C  CZ  . ARG A 1 25 ? 14.149 12.988 67.281 1.00 30.68 ? 579 ARG A CZ  1 25  UNP P9WI81 579 R 
ATOM   190 N  NH1 . ARG A 1 25 ? 14.068 12.043 66.354 1.00 22.36 ? 579 ARG A NH1 1 25  UNP P9WI81 579 R 
ATOM   191 N  NH2 . ARG A 1 25 ? 15.338 13.358 67.738 1.00 28.03 ? 579 ARG A NH2 1 25  UNP P9WI81 579 R 
ATOM   192 N  N   . ALA A 1 26 ? 6.794  14.396 65.200 1.00 18.52 ? 580 ALA A N   1 26  UNP P9WI81 580 A 
ATOM   193 C  CA  . ALA A 1 26 ? 5.410  14.088 64.849 1.00 16.28 ? 580 ALA A CA  1 26  UNP P9WI81 580 A 
ATOM   194 C  C   . ALA A 1 26 ? 5.295  13.609 63.404 1.00 23.22 ? 580 ALA A C   1 26  UNP P9WI81 580 A 
ATOM   195 O  O   . ALA A 1 26 ? 4.330  12.938 63.040 1.00 18.98 ? 580 ALA A O   1 26  UNP P9WI81 580 A 
ATOM   196 C  CB  . ALA A 1 26 ? 4.522  15.303 65.074 1.00 19.01 ? 580 ALA A CB  1 26  UNP P9WI81 580 A 
ATOM   197 N  N   . LEU A 1 27 ? 6.278  13.965 62.583 1.00 17.75 ? 581 LEU A N   1 27  UNP P9WI81 581 L 
ATOM   198 C  CA  . LEU A 1 27 ? 6.313  13.525 61.191 1.00 10.63 ? 581 LEU A CA  1 27  UNP P9WI81 581 L 
ATOM   199 C  C   . LEU A 1 27 ? 6.819  12.090 61.097 1.00 20.21 ? 581 LEU A C   1 27  UNP P9WI81 581 L 
ATOM   200 O  O   . LEU A 1 27 ? 6.743  11.460 60.043 1.00 18.98 ? 581 LEU A O   1 27  UNP P9WI81 581 L 
ATOM   201 C  CB  . LEU A 1 27 ? 7.196  14.451 60.351 1.00 14.18 ? 581 LEU A CB  1 27  UNP P9WI81 581 L 
ATOM   202 C  CG  . LEU A 1 27 ? 6.717  15.895 60.185 1.00 12.72 ? 581 LEU A CG  1 27  UNP P9WI81 581 L 
ATOM   203 C  CD1 . LEU A 1 27 ? 7.815  16.757 59.584 1.00 22.80 ? 581 LEU A CD1 1 27  UNP P9WI81 581 L 
ATOM   204 C  CD2 . LEU A 1 27 ? 5.466  15.948 59.327 1.00 14.78 ? 581 LEU A CD2 1 27  UNP P9WI81 581 L 
ATOM   205 N  N   . GLY A 1 28 ? 7.343  11.584 62.208 1.00 18.89 ? 582 GLY A N   1 28  UNP P9WI81 582 G 
ATOM   206 C  CA  . GLY A 1 28 ? 7.861  10.232 62.259 1.00 18.25 ? 582 GLY A CA  1 28  UNP P9WI81 582 G 
ATOM   207 C  C   . GLY A 1 28 ? 9.371  10.187 62.377 1.00 23.83 ? 582 GLY A C   1 28  UNP P9WI81 582 G 
ATOM   208 O  O   . GLY A 1 28 ? 9.950  9.110  62.499 1.00 21.72 ? 582 GLY A O   1 28  UNP P9WI81 582 G 
ATOM   209 N  N   . TRP A 1 29 ? 10.006 11.356 62.347 1.00 23.60 ? 583 TRP A N   1 29  UNP P9WI81 583 W 
ATOM   210 C  CA  . TRP A 1 29 ? 11.463 11.445 62.399 1.00 15.42 ? 583 TRP A CA  1 29  UNP P9WI81 583 W 
ATOM   211 C  C   . TRP A 1 29 ? 12.019 10.827 63.680 1.00 22.24 ? 583 TRP A C   1 29  UNP P9WI81 583 W 
ATOM   212 O  O   . TRP A 1 29 ? 11.680 11.248 64.783 1.00 17.91 ? 583 TRP A O   1 29  UNP P9WI81 583 W 
ATOM   213 C  CB  . TRP A 1 29 ? 11.919 12.902 62.282 1.00 17.58 ? 583 TRP A CB  1 29  UNP P9WI81 583 W 
ATOM   214 C  CG  . TRP A 1 29 ? 13.411 13.071 62.335 1.00 15.43 ? 583 TRP A CG  1 29  UNP P9WI81 583 W 
ATOM   215 C  CD1 . TRP A 1 29 ? 14.331 12.506 61.496 1.00 16.20 ? 583 TRP A CD1 1 29  UNP P9WI81 583 W 
ATOM   216 C  CD2 . TRP A 1 29 ? 14.158 13.868 63.264 1.00 20.96 ? 583 TRP A CD2 1 29  UNP P9WI81 583 W 
ATOM   217 N  NE1 . TRP A 1 29 ? 15.599 12.893 61.851 1.00 18.72 ? 583 TRP A NE1 1 29  UNP P9WI81 583 W 
ATOM   218 C  CE2 . TRP A 1 29 ? 15.520 13.732 62.933 1.00 22.57 ? 583 TRP A CE2 1 29  UNP P9WI81 583 W 
ATOM   219 C  CE3 . TRP A 1 29 ? 13.804 14.685 64.344 1.00 23.34 ? 583 TRP A CE3 1 29  UNP P9WI81 583 W 
ATOM   220 C  CZ2 . TRP A 1 29 ? 16.531 14.380 63.640 1.00 16.30 ? 583 TRP A CZ2 1 29  UNP P9WI81 583 W 
ATOM   221 C  CZ3 . TRP A 1 29 ? 14.810 15.329 65.046 1.00 29.45 ? 583 TRP A CZ3 1 29  UNP P9WI81 583 W 
ATOM   222 C  CH2 . TRP A 1 29 ? 16.156 15.170 64.693 1.00 24.92 ? 583 TRP A CH2 1 29  UNP P9WI81 583 W 
ATOM   223 N  N   . THR A 1 30 ? 12.871 9.819  63.515 1.00 14.87 ? 584 THR A N   1 30  UNP P9WI81 584 T 
ATOM   224 C  CA  . THR A 1 30 ? 13.490 9.137  64.642 1.00 22.94 ? 584 THR A CA  1 30  UNP P9WI81 584 T 
ATOM   225 C  C   . THR A 1 30 ? 15.001 9.320  64.607 1.00 30.96 ? 584 THR A C   1 30  UNP P9WI81 584 T 
ATOM   226 O  O   . THR A 1 30 ? 15.724 8.777  65.443 1.00 22.29 ? 584 THR A O   1 30  UNP P9WI81 584 T 
ATOM   227 C  CB  . THR A 1 30 ? 13.163 7.631  64.644 1.00 27.12 ? 584 THR A CB  1 30  UNP P9WI81 584 T 
ATOM   228 O  OG1 . THR A 1 30 ? 13.569 7.053  63.397 1.00 22.94 ? 584 THR A OG1 1 30  UNP P9WI81 584 T 
ATOM   229 C  CG2 . THR A 1 30 ? 11.670 7.409  64.837 1.00 27.89 ? 584 THR A CG2 1 30  UNP P9WI81 584 T 
ATOM   230 N  N   . GLY A 1 31 ? 15.468 10.100 63.637 1.00 27.28 ? 585 GLY A N   1 31  UNP P9WI81 585 G 
ATOM   231 C  CA  . GLY A 1 31 ? 16.888 10.306 63.434 1.00 20.87 ? 585 GLY A CA  1 31  UNP P9WI81 585 G 
ATOM   232 C  C   . GLY A 1 31 ? 17.561 11.166 64.483 1.00 28.20 ? 585 GLY A C   1 31  UNP P9WI81 585 G 
ATOM   233 O  O   . GLY A 1 31 ? 16.951 11.556 65.477 1.00 23.97 ? 585 GLY A O   1 31  UNP P9WI81 585 G 
ATOM   234 N  N   . MET A 1 32 ? 18.831 11.472 64.243 1.00 28.94 ? 586 MET A N   1 32  UNP P9WI81 586 M 
ATOM   235 C  CA  . MET A 1 32 ? 19.649 12.209 65.197 1.00 36.74 ? 586 MET A CA  1 32  UNP P9WI81 586 M 
ATOM   236 C  C   . MET A 1 32 ? 19.725 13.696 64.858 1.00 18.96 ? 586 MET A C   1 32  UNP P9WI81 586 M 
ATOM   237 O  O   . MET A 1 32 ? 19.840 14.072 63.691 1.00 17.91 ? 586 MET A O   1 32  UNP P9WI81 586 M 
ATOM   238 C  CB  . MET A 1 32 ? 21.057 11.611 65.244 1.00 29.68 ? 586 MET A CB  1 32  UNP P9WI81 586 M 
ATOM   239 C  CG  . MET A 1 32 ? 21.962 12.196 66.308 1.00 27.93 ? 586 MET A CG  1 32  UNP P9WI81 586 M 
ATOM   240 S  SD  . MET A 1 32 ? 23.615 11.482 66.225 1.00 54.63 ? 586 MET A SD  1 32  UNP P9WI81 586 M 
ATOM   241 C  CE  . MET A 1 32 ? 24.470 12.466 67.450 1.00 43.58 ? 586 MET A CE  1 32  UNP P9WI81 586 M 
ATOM   242 N  N   . LEU A 1 33 ? 19.658 14.538 65.883 1.00 20.70 ? 587 LEU A N   1 33  UNP P9WI81 587 L 
ATOM   243 C  CA  . LEU A 1 33 ? 19.809 15.974 65.689 1.00 26.36 ? 587 LEU A CA  1 33  UNP P9WI81 587 L 
ATOM   244 C  C   . LEU A 1 33 ? 21.267 16.405 65.752 1.00 15.02 ? 587 LEU A C   1 33  UNP P9WI81 587 L 
ATOM   245 O  O   . LEU A 1 33 ? 21.957 16.162 66.742 1.00 30.37 ? 587 LEU A O   1 33  UNP P9WI81 587 L 
ATOM   246 C  CB  . LEU A 1 33 ? 19.015 16.760 66.733 1.00 21.86 ? 587 LEU A CB  1 33  UNP P9WI81 587 L 
ATOM   247 C  CG  . LEU A 1 33 ? 19.280 18.266 66.624 1.00 29.79 ? 587 LEU A CG  1 33  UNP P9WI81 587 L 
ATOM   248 C  CD1 . LEU A 1 33 ? 18.380 18.916 65.576 1.00 28.77 ? 587 LEU A CD1 1 33  UNP P9WI81 587 L 
ATOM   249 C  CD2 . LEU A 1 33 ? 19.170 18.968 67.972 1.00 33.55 ? 587 LEU A CD2 1 33  UNP P9WI81 587 L 
ATOM   250 N  N   . ASP A 1 34 ? 21.727 17.045 64.686 1.00 16.60 ? 588 ASP A N   1 34  UNP P9WI81 588 D 
ATOM   251 C  CA  . ASP A 1 34 ? 23.022 17.706 64.683 1.00 14.66 ? 588 ASP A CA  1 34  UNP P9WI81 588 D 
ATOM   252 C  C   . ASP A 1 34 ? 22.824 19.181 65.007 1.00 19.59 ? 588 ASP A C   1 34  UNP P9WI81 588 D 
ATOM   253 O  O   . ASP A 1 34 ? 22.344 19.942 64.170 1.00 17.91 ? 588 ASP A O   1 34  UNP P9WI81 588 D 
ATOM   254 C  CB  . ASP A 1 34 ? 23.713 17.548 63.325 1.00 20.16 ? 588 ASP A CB  1 34  UNP P9WI81 588 D 
ATOM   255 C  CG  . ASP A 1 34 ? 24.681 16.381 63.289 1.00 24.15 ? 588 ASP A CG  1 34  UNP P9WI81 588 D 
ATOM   256 O  OD1 . ASP A 1 34 ? 24.675 15.566 64.236 1.00 19.99 ? 588 ASP A OD1 1 34  UNP P9WI81 588 D 
ATOM   257 O  OD2 . ASP A 1 34 ? 25.450 16.279 62.308 1.00 16.39 ? 588 ASP A OD2 1 34  UNP P9WI81 588 D 
ATOM   258 N  N   . LYS A 1 35 ? 23.172 19.587 66.222 1.00 21.01 ? 589 LYS A N   1 35  UNP P9WI81 589 K 
ATOM   259 C  CA  . LYS A 1 35 ? 23.049 20.994 66.583 1.00 20.71 ? 589 LYS A CA  1 35  UNP P9WI81 589 K 
ATOM   260 C  C   . LYS A 1 35 ? 24.296 21.752 66.149 1.00 16.49 ? 589 LYS A C   1 35  UNP P9WI81 589 K 
ATOM   261 O  O   . LYS A 1 35 ? 25.369 21.592 66.733 1.00 21.33 ? 589 LYS A O   1 35  UNP P9WI81 589 K 
ATOM   262 C  CB  . LYS A 1 35 ? 22.816 21.169 68.084 1.00 26.73 ? 589 LYS A CB  1 35  UNP P9WI81 589 K 
ATOM   263 C  CG  . LYS A 1 35 ? 22.560 22.619 68.483 1.00 28.08 ? 589 LYS A CG  1 35  UNP P9WI81 589 K 
ATOM   264 C  CD  . LYS A 1 35 ? 22.396 22.776 69.984 1.00 28.24 ? 589 LYS A CD  1 35  UNP P9WI81 589 K 
ATOM   265 C  CE  . LYS A 1 35 ? 22.185 24.234 70.360 1.00 41.76 ? 589 LYS A CE  1 35  UNP P9WI81 589 K 
ATOM   266 N  NZ  . LYS A 1 35 ? 23.319 25.095 69.913 1.00 44.39 ? 589 LYS A NZ  1 35  UNP P9WI81 589 K 
ATOM   267 N  N   . GLY A 1 36 ? 24.146 22.570 65.115 1.00 11.52 ? 590 GLY A N   1 36  UNP P9WI81 590 G 
ATOM   268 C  CA  . GLY A 1 36 ? 25.262 23.316 64.568 1.00 10.63 ? 590 GLY A CA  1 36  UNP P9WI81 590 G 
ATOM   269 C  C   . GLY A 1 36 ? 25.593 24.556 65.370 1.00 21.16 ? 590 GLY A C   1 36  UNP P9WI81 590 G 
ATOM   270 O  O   . GLY A 1 36 ? 24.986 24.815 66.411 1.00 15.44 ? 590 GLY A O   1 36  UNP P9WI81 590 G 
ATOM   271 N  N   . ALA A 1 37 ? 26.563 25.321 64.879 1.00 12.38 ? 591 ALA A N   1 37  UNP P9WI81 591 A 
ATOM   272 C  CA  . ALA A 1 37 ? 26.981 26.552 65.532 1.00 17.67 ? 591 ALA A CA  1 37  UNP P9WI81 591 A 
ATOM   273 C  C   . ALA A 1 37 ? 25.869 27.591 65.501 1.00 18.86 ? 591 ALA A C   1 37  UNP P9WI81 591 A 
ATOM   274 O  O   . ALA A 1 37 ? 25.152 27.707 64.506 1.00 14.34 ? 591 ALA A O   1 37  UNP P9WI81 591 A 
ATOM   275 C  CB  . ALA A 1 37 ? 28.239 27.100 64.872 1.00 10.05 ? 591 ALA A CB  1 37  UNP P9WI81 591 A 
ATOM   276 N  N   . ASP A 1 38 ? 25.730 28.341 66.592 1.00 13.51 ? 592 ASP A N   1 38  UNP P9WI81 592 D 
ATOM   277 C  CA  . ASP A 1 38 ? 24.757 29.425 66.652 1.00 17.19 ? 592 ASP A CA  1 38  UNP P9WI81 592 D 
ATOM   278 C  C   . ASP A 1 38 ? 25.053 30.477 65.593 1.00 15.81 ? 592 ASP A C   1 38  UNP P9WI81 592 D 
ATOM   279 O  O   . ASP A 1 38 ? 26.180 30.602 65.119 1.00 24.19 ? 592 ASP A O   1 38  UNP P9WI81 592 D 
ATOM   280 C  CB  . ASP A 1 38 ? 24.739 30.086 68.033 1.00 26.36 ? 592 ASP A CB  1 38  UNP P9WI81 592 D 
ATOM   281 C  CG  . ASP A 1 38 ? 23.979 29.276 69.061 1.00 25.90 ? 592 ASP A CG  1 38  UNP P9WI81 592 D 
ATOM   282 O  OD1 . ASP A 1 38 ? 23.250 28.340 68.672 1.00 25.16 ? 592 ASP A OD1 1 38  UNP P9WI81 592 D 
ATOM   283 O  OD2 . ASP A 1 38 ? 24.101 29.585 70.264 1.00 39.09 ? 592 ASP A OD2 1 38  UNP P9WI81 592 D 
ATOM   284 N  N   . VAL A 1 39 ? 24.024 31.230 65.226 1.00 17.34 ? 593 VAL A N   1 39  UNP P9WI81 593 V 
ATOM   285 C  CA  . VAL A 1 39 ? 24.160 32.294 64.250 1.00 21.18 ? 593 VAL A CA  1 39  UNP P9WI81 593 V 
ATOM   286 C  C   . VAL A 1 39 ? 23.722 33.612 64.863 1.00 14.36 ? 593 VAL A C   1 39  UNP P9WI81 593 V 
ATOM   287 O  O   . VAL A 1 39 ? 22.584 33.740 65.319 1.00 28.23 ? 593 VAL A O   1 39  UNP P9WI81 593 V 
ATOM   288 C  CB  . VAL A 1 39 ? 23.315 32.016 63.001 1.00 15.49 ? 593 VAL A CB  1 39  UNP P9WI81 593 V 
ATOM   289 C  CG1 . VAL A 1 39 ? 23.836 32.814 61.816 1.00 23.14 ? 593 VAL A CG1 1 39  UNP P9WI81 593 V 
ATOM   290 C  CG2 . VAL A 1 39 ? 23.308 30.531 62.703 1.00 24.65 ? 593 VAL A CG2 1 39  UNP P9WI81 593 V 
ATOM   291 N  N   . ASP A 1 40 ? 24.617 34.592 64.884 1.00 22.73 ? 594 ASP A N   1 40  UNP P9WI81 594 D 
ATOM   292 C  CA  . ASP A 1 40 ? 24.245 35.898 65.404 1.00 13.67 ? 594 ASP A CA  1 40  UNP P9WI81 594 D 
ATOM   293 C  C   . ASP A 1 40 ? 23.328 36.564 64.380 1.00 16.66 ? 594 ASP A C   1 40  UNP P9WI81 594 D 
ATOM   294 O  O   . ASP A 1 40 ? 23.790 37.109 63.377 1.00 30.95 ? 594 ASP A O   1 40  UNP P9WI81 594 D 
ATOM   295 C  CB  . ASP A 1 40 ? 25.475 36.759 65.687 1.00 28.82 ? 594 ASP A CB  1 40  UNP P9WI81 594 D 
ATOM   296 C  CG  . ASP A 1 40 ? 25.127 38.060 66.389 1.00 37.73 ? 594 ASP A CG  1 40  UNP P9WI81 594 D 
ATOM   297 O  OD1 . ASP A 1 40 ? 23.935 38.271 66.708 1.00 31.45 ? 594 ASP A OD1 1 40  UNP P9WI81 594 D 
ATOM   298 O  OD2 . ASP A 1 40 ? 26.051 38.871 66.620 1.00 50.39 ? 594 ASP A OD2 1 40  UNP P9WI81 594 D 
ATOM   299 N  N   . ALA A 1 41 ? 22.025 36.502 64.632 1.00 20.38 ? 595 ALA A N   1 41  UNP P9WI81 595 A 
ATOM   300 C  CA  . ALA A 1 41 ? 21.037 36.984 63.678 1.00 22.05 ? 595 ALA A CA  1 41  UNP P9WI81 595 A 
ATOM   301 C  C   . ALA A 1 41 ? 20.044 37.952 64.313 1.00 23.37 ? 595 ALA A C   1 41  UNP P9WI81 595 A 
ATOM   302 O  O   . ALA A 1 41 ? 18.860 37.948 63.976 1.00 25.66 ? 595 ALA A O   1 41  UNP P9WI81 595 A 
ATOM   303 C  CB  . ALA A 1 41 ? 20.297 35.809 63.057 1.00 26.13 ? 595 ALA A CB  1 41  UNP P9WI81 595 A 
ATOM   304 N  N   . GLY A 1 42 ? 20.526 38.777 65.236 1.00 16.76 ? 596 GLY A N   1 42  UNP P9WI81 596 G 
ATOM   305 C  CA  . GLY A 1 42 ? 19.688 39.785 65.857 1.00 25.13 ? 596 GLY A CA  1 42  UNP P9WI81 596 G 
ATOM   306 C  C   . GLY A 1 42 ? 18.828 39.251 66.984 1.00 18.00 ? 596 GLY A C   1 42  UNP P9WI81 596 G 
ATOM   307 O  O   . GLY A 1 42 ? 18.691 38.039 67.156 1.00 19.90 ? 596 GLY A O   1 42  UNP P9WI81 596 G 
ATOM   308 N  N   . GLY A 1 43 ? 18.240 40.167 67.749 1.00 13.64 ? 597 GLY A N   1 43  UNP P9WI81 597 G 
ATOM   309 C  CA  . GLY A 1 43 ? 17.450 39.807 68.911 1.00 14.09 ? 597 GLY A CA  1 43  UNP P9WI81 597 G 
ATOM   310 C  C   . GLY A 1 43 ? 16.197 39.014 68.598 1.00 20.27 ? 597 GLY A C   1 43  UNP P9WI81 597 G 
ATOM   311 O  O   . GLY A 1 43 ? 15.828 38.110 69.345 1.00 18.37 ? 597 GLY A O   1 43  UNP P9WI81 597 G 
ATOM   312 N  N   . SER A 1 44 ? 15.543 39.345 67.488 1.00 13.75 ? 598 SER A N   1 44  UNP P9WI81 598 S 
ATOM   313 C  CA  . SER A 1 44 ? 14.284 38.696 67.132 1.00 19.72 ? 598 SER A CA  1 44  UNP P9WI81 598 S 
ATOM   314 C  C   . SER A 1 44 ? 14.482 37.234 66.748 1.00 22.78 ? 598 SER A C   1 44  UNP P9WI81 598 S 
ATOM   315 O  O   . SER A 1 44 ? 13.537 36.448 66.773 1.00 21.91 ? 598 SER A O   1 44  UNP P9WI81 598 S 
ATOM   316 C  CB  . SER A 1 44 ? 13.600 39.444 65.989 1.00 19.36 ? 598 SER A CB  1 44  UNP P9WI81 598 S 
ATOM   317 O  OG  . SER A 1 44 ? 14.366 39.364 64.801 1.00 33.95 ? 598 SER A OG  1 44  UNP P9WI81 598 S 
ATOM   318 N  N   . GLN A 1 45 ? 15.713 36.871 66.399 1.00 18.54 ? 599 GLN A N   1 45  UNP P9WI81 599 Q 
ATOM   319 C  CA  . GLN A 1 45 ? 16.005 35.510 65.962 1.00 17.72 ? 599 GLN A CA  1 45  UNP P9WI81 599 Q 
ATOM   320 C  C   . GLN A 1 45 ? 16.654 34.681 67.064 1.00 17.77 ? 599 GLN A C   1 45  UNP P9WI81 599 Q 
ATOM   321 O  O   . GLN A 1 45 ? 17.026 33.531 66.839 1.00 17.56 ? 599 GLN A O   1 45  UNP P9WI81 599 Q 
ATOM   322 C  CB  . GLN A 1 45 ? 16.901 35.531 64.724 1.00 21.07 ? 599 GLN A CB  1 45  UNP P9WI81 599 Q 
ATOM   323 C  CG  . GLN A 1 45 ? 16.317 34.771 63.557 1.00 33.20 ? 599 GLN A CG  1 45  UNP P9WI81 599 Q 
ATOM   324 C  CD  . GLN A 1 45 ? 14.920 35.241 63.208 1.00 35.90 ? 599 GLN A CD  1 45  UNP P9WI81 599 Q 
ATOM   325 O  OE1 . GLN A 1 45 ? 14.648 36.440 63.167 1.00 37.56 ? 599 GLN A OE1 1 45  UNP P9WI81 599 Q 
ATOM   326 N  NE2 . GLN A 1 45 ? 14.016 34.293 62.983 1.00 24.19 ? 599 GLN A NE2 1 45  UNP P9WI81 599 Q 
ATOM   327 N  N   . HIS A 1 46 ? 16.780 35.276 68.248 1.00 12.08 ? 600 HIS A N   1 46  UNP P9WI81 600 H 
ATOM   328 C  CA  . HIS A 1 46 ? 17.386 34.617 69.401 1.00 13.05 ? 600 HIS A CA  1 46  UNP P9WI81 600 H 
ATOM   329 C  C   . HIS A 1 46 ? 16.742 33.260 69.686 1.00 13.16 ? 600 HIS A C   1 46  UNP P9WI81 600 H 
ATOM   330 O  O   . HIS A 1 46 ? 15.546 33.174 69.969 1.00 12.20 ? 600 HIS A O   1 46  UNP P9WI81 600 H 
ATOM   331 C  CB  . HIS A 1 46 ? 17.281 35.521 70.631 1.00 18.06 ? 600 HIS A CB  1 46  UNP P9WI81 600 H 
ATOM   332 C  CG  . HIS A 1 46 ? 17.769 34.887 71.898 1.00 9.76  ? 600 HIS A CG  1 46  UNP P9WI81 600 H 
ATOM   333 N  ND1 . HIS A 1 46 ? 19.050 35.065 72.374 1.00 15.12 ? 600 HIS A ND1 1 46  UNP P9WI81 600 H 
ATOM   334 C  CD2 . HIS A 1 46 ? 17.142 34.086 72.791 1.00 14.60 ? 600 HIS A CD2 1 46  UNP P9WI81 600 H 
ATOM   335 C  CE1 . HIS A 1 46 ? 19.193 34.396 73.502 1.00 16.95 ? 600 HIS A CE1 1 46  UNP P9WI81 600 H 
ATOM   336 N  NE2 . HIS A 1 46 ? 18.055 33.791 73.780 1.00 15.23 ? 600 HIS A NE2 1 46  UNP P9WI81 600 H 
ATOM   337 N  N   . ASN A 1 47 ? 17.552 32.210 69.577 1.00 13.31 ? 601 ASN A N   1 47  UNP P9WI81 601 N 
ATOM   338 C  CA  . ASN A 1 47 ? 17.139 30.829 69.839 1.00 17.16 ? 601 ASN A CA  1 47  UNP P9WI81 601 N 
ATOM   339 C  C   . ASN A 1 47 ? 16.026 30.333 68.910 1.00 20.81 ? 601 ASN A C   1 47  UNP P9WI81 601 N 
ATOM   340 O  O   . ASN A 1 47 ? 15.302 29.392 69.240 1.00 19.23 ? 601 ASN A O   1 47  UNP P9WI81 601 N 
ATOM   341 C  CB  . ASN A 1 47 ? 16.709 30.674 71.302 1.00 25.70 ? 601 ASN A CB  1 47  UNP P9WI81 601 N 
ATOM   342 C  CG  . ASN A 1 47 ? 16.911 29.264 71.823 1.00 38.79 ? 601 ASN A CG  1 47  UNP P9WI81 601 N 
ATOM   343 O  OD1 . ASN A 1 47 ? 17.679 28.487 71.256 1.00 53.12 ? 601 ASN A OD1 1 47  UNP P9WI81 601 N 
ATOM   344 N  ND2 . ASN A 1 47 ? 16.222 28.925 72.909 1.00 43.57 ? 601 ASN A ND2 1 47  UNP P9WI81 601 N 
ATOM   345 N  N   . ARG A 1 48 ? 15.896 30.972 67.751 1.00 16.36 ? 602 ARG A N   1 48  UNP P9WI81 602 R 
ATOM   346 C  CA  . ARG A 1 48 ? 14.993 30.500 66.704 1.00 15.94 ? 602 ARG A CA  1 48  UNP P9WI81 602 R 
ATOM   347 C  C   . ARG A 1 48 ? 15.803 29.853 65.585 1.00 18.04 ? 602 ARG A C   1 48  UNP P9WI81 602 R 
ATOM   348 O  O   . ARG A 1 48 ? 16.977 30.174 65.396 1.00 12.30 ? 602 ARG A O   1 48  UNP P9WI81 602 R 
ATOM   349 C  CB  . ARG A 1 48 ? 14.146 31.646 66.145 1.00 15.15 ? 602 ARG A CB  1 48  UNP P9WI81 602 R 
ATOM   350 C  CG  . ARG A 1 48 ? 13.146 32.249 67.126 1.00 14.75 ? 602 ARG A CG  1 48  UNP P9WI81 602 R 
ATOM   351 C  CD  . ARG A 1 48 ? 12.361 33.369 66.461 1.00 16.96 ? 602 ARG A CD  1 48  UNP P9WI81 602 R 
ATOM   352 N  NE  . ARG A 1 48 ? 11.440 34.035 67.376 1.00 38.02 ? 602 ARG A NE  1 48  UNP P9WI81 602 R 
ATOM   353 C  CZ  . ARG A 1 48 ? 10.201 33.623 67.626 1.00 37.04 ? 602 ARG A CZ  1 48  UNP P9WI81 602 R 
ATOM   354 N  NH1 . ARG A 1 48 ? 9.434  34.297 68.473 1.00 38.68 ? 602 ARG A NH1 1 48  UNP P9WI81 602 R 
ATOM   355 N  NH2 . ARG A 1 48 ? 9.729  32.536 67.031 1.00 27.68 ? 602 ARG A NH2 1 48  UNP P9WI81 602 R 
ATOM   356 N  N   . VAL A 1 49 ? 15.175 28.953 64.834 1.00 12.62 ? 603 VAL A N   1 49  UNP P9WI81 603 V 
ATOM   357 C  CA  . VAL A 1 49 ? 15.856 28.258 63.744 1.00 14.10 ? 603 VAL A CA  1 49  UNP P9WI81 603 V 
ATOM   358 C  C   . VAL A 1 49 ? 16.290 29.225 62.648 1.00 16.14 ? 603 VAL A C   1 49  UNP P9WI81 603 V 
ATOM   359 O  O   . VAL A 1 49 ? 15.473 29.973 62.109 1.00 7.06  ? 603 VAL A O   1 49  UNP P9WI81 603 V 
ATOM   360 C  CB  . VAL A 1 49 ? 14.959 27.167 63.125 1.00 13.28 ? 603 VAL A CB  1 49  UNP P9WI81 603 V 
ATOM   361 C  CG1 . VAL A 1 49 ? 15.594 26.602 61.860 1.00 9.35  ? 603 VAL A CG1 1 49  UNP P9WI81 603 V 
ATOM   362 C  CG2 . VAL A 1 49 ? 14.689 26.061 64.135 1.00 12.73 ? 603 VAL A CG2 1 49  UNP P9WI81 603 V 
ATOM   363 N  N   . VAL A 1 50 ? 17.581 29.207 62.326 1.00 17.27 ? 604 VAL A N   1 50  UNP P9WI81 604 V 
ATOM   364 C  CA  . VAL A 1 50 ? 18.122 30.059 61.272 1.00 13.45 ? 604 VAL A CA  1 50  UNP P9WI81 604 V 
ATOM   365 C  C   . VAL A 1 50 ? 18.486 29.234 60.034 1.00 14.73 ? 604 VAL A C   1 50  UNP P9WI81 604 V 
ATOM   366 O  O   . VAL A 1 50 ? 18.136 29.603 58.912 1.00 14.67 ? 604 VAL A O   1 50  UNP P9WI81 604 V 
ATOM   367 C  CB  . VAL A 1 50 ? 19.352 30.844 61.759 1.00 19.37 ? 604 VAL A CB  1 50  UNP P9WI81 604 V 
ATOM   368 C  CG1 . VAL A 1 50 ? 19.970 31.628 60.616 1.00 16.56 ? 604 VAL A CG1 1 50  UNP P9WI81 604 V 
ATOM   369 C  CG2 . VAL A 1 50 ? 18.958 31.779 62.892 1.00 19.18 ? 604 VAL A CG2 1 50  UNP P9WI81 604 V 
ATOM   370 N  N   A TYR A 1 51 ? 19.214 28.138 60.228 0.70 18.92 ? 605 TYR A N   1 51  UNP P9WI81 605 Y 
ATOM   371 N  N   B TYR A 1 51 ? 19.166 28.114 60.255 0.30 20.03 ? 605 TYR A N   1 51  UNP P9WI81 605 Y 
ATOM   372 C  CA  A TYR A 1 51 ? 19.465 27.200 59.134 0.70 22.70 ? 605 TYR A CA  1 51  UNP P9WI81 605 Y 
ATOM   373 C  CA  B TYR A 1 51 ? 19.490 27.187 59.177 0.30 25.57 ? 605 TYR A CA  1 51  UNP P9WI81 605 Y 
ATOM   374 C  C   A TYR A 1 51 ? 18.954 25.809 59.467 0.70 18.69 ? 605 TYR A C   1 51  UNP P9WI81 605 Y 
ATOM   375 C  C   B TYR A 1 51 ? 18.997 25.780 59.478 0.30 19.22 ? 605 TYR A C   1 51  UNP P9WI81 605 Y 
ATOM   376 O  O   A TYR A 1 51 ? 18.837 25.439 60.634 0.70 13.74 ? 605 TYR A O   1 51  UNP P9WI81 605 Y 
ATOM   377 O  O   B TYR A 1 51 ? 18.913 25.373 60.636 0.30 21.04 ? 605 TYR A O   1 51  UNP P9WI81 605 Y 
ATOM   378 C  CB  A TYR A 1 51 ? 20.954 27.093 58.789 0.70 20.84 ? 605 TYR A CB  1 51  UNP P9WI81 605 Y 
ATOM   379 C  CB  B TYR A 1 51 ? 20.997 27.155 58.923 0.30 20.79 ? 605 TYR A CB  1 51  UNP P9WI81 605 Y 
ATOM   380 C  CG  A TYR A 1 51 ? 21.695 28.395 58.578 0.70 26.07 ? 605 TYR A CG  1 51  UNP P9WI81 605 Y 
ATOM   381 C  CG  B TYR A 1 51 ? 21.468 28.219 57.966 0.30 23.61 ? 605 TYR A CG  1 51  UNP P9WI81 605 Y 
ATOM   382 C  CD1 A TYR A 1 51 ? 21.786 28.977 57.318 0.70 30.98 ? 605 TYR A CD1 1 51  UNP P9WI81 605 Y 
ATOM   383 C  CD1 B TYR A 1 51 ? 21.131 28.165 56.620 0.30 20.66 ? 605 TYR A CD1 1 51  UNP P9WI81 605 Y 
ATOM   384 C  CD2 A TYR A 1 51 ? 22.354 29.012 59.629 0.70 33.13 ? 605 TYR A CD2 1 51  UNP P9WI81 605 Y 
ATOM   385 C  CD2 B TYR A 1 51 ? 22.253 29.275 58.404 0.30 23.63 ? 605 TYR A CD2 1 51  UNP P9WI81 605 Y 
ATOM   386 C  CE1 A TYR A 1 51 ? 22.486 30.160 57.127 0.70 32.60 ? 605 TYR A CE1 1 51  UNP P9WI81 605 Y 
ATOM   387 C  CE1 B TYR A 1 51 ? 21.558 29.136 55.739 0.30 22.47 ? 605 TYR A CE1 1 51  UNP P9WI81 605 Y 
ATOM   388 C  CE2 A TYR A 1 51 ? 23.054 30.183 59.443 0.70 41.91 ? 605 TYR A CE2 1 51  UNP P9WI81 605 Y 
ATOM   389 C  CE2 B TYR A 1 51 ? 22.685 30.247 57.530 0.30 28.24 ? 605 TYR A CE2 1 51  UNP P9WI81 605 Y 
ATOM   390 C  CZ  A TYR A 1 51 ? 23.117 30.752 58.200 0.70 24.87 ? 605 TYR A CZ  1 51  UNP P9WI81 605 Y 
ATOM   391 C  CZ  B TYR A 1 51 ? 22.335 30.175 56.200 0.30 25.33 ? 605 TYR A CZ  1 51  UNP P9WI81 605 Y 
ATOM   392 O  OH  A TYR A 1 51 ? 23.819 31.915 58.052 0.70 3.86  ? 605 TYR A OH  1 51  UNP P9WI81 605 Y 
ATOM   393 O  OH  B TYR A 1 51 ? 22.764 31.146 55.326 0.30 23.34 ? 605 TYR A OH  1 51  UNP P9WI81 605 Y 
ATOM   394 N  N   . GLN A 1 52 ? 18.679 25.037 58.424 1.00 17.44 ? 606 GLN A N   1 52  UNP P9WI81 606 Q 
ATOM   395 C  CA  . GLN A 1 52 ? 18.284 23.650 58.571 1.00 12.81 ? 606 GLN A CA  1 52  UNP P9WI81 606 Q 
ATOM   396 C  C   . GLN A 1 52 ? 18.888 22.830 57.441 1.00 20.70 ? 606 GLN A C   1 52  UNP P9WI81 606 Q 
ATOM   397 O  O   . GLN A 1 52 ? 19.146 23.344 56.351 1.00 16.99 ? 606 GLN A O   1 52  UNP P9WI81 606 Q 
ATOM   398 C  CB  . GLN A 1 52 ? 16.762 23.508 58.576 1.00 15.68 ? 606 GLN A CB  1 52  UNP P9WI81 606 Q 
ATOM   399 C  CG  . GLN A 1 52 ? 16.112 23.761 57.223 1.00 16.55 ? 606 GLN A CG  1 52  UNP P9WI81 606 Q 
ATOM   400 C  CD  . GLN A 1 52 ? 14.607 23.608 57.268 1.00 15.99 ? 606 GLN A CD  1 52  UNP P9WI81 606 Q 
ATOM   401 O  OE1 . GLN A 1 52 ? 13.905 24.470 57.795 1.00 13.07 ? 606 GLN A OE1 1 52  UNP P9WI81 606 Q 
ATOM   402 N  NE2 . GLN A 1 52 ? 14.103 22.501 56.726 1.00 16.59 ? 606 GLN A NE2 1 52  UNP P9WI81 606 Q 
ATOM   403 N  N   . ASN A 1 53 ? 19.137 21.558 57.719 1.00 15.33 ? 607 ASN A N   1 53  UNP P9WI81 607 N 
ATOM   404 C  CA  . ASN A 1 53 ? 19.538 20.616 56.690 1.00 12.87 ? 607 ASN A CA  1 53  UNP P9WI81 607 N 
ATOM   405 C  C   . ASN A 1 53 ? 18.883 19.272 56.976 1.00 18.70 ? 607 ASN A C   1 53  UNP P9WI81 607 N 
ATOM   406 O  O   . ASN A 1 53 ? 18.984 18.762 58.089 1.00 15.97 ? 607 ASN A O   1 53  UNP P9WI81 607 N 
ATOM   407 C  CB  . ASN A 1 53 ? 21.060 20.480 56.624 1.00 13.71 ? 607 ASN A CB  1 53  UNP P9WI81 607 N 
ATOM   408 C  CG  . ASN A 1 53 ? 21.523 19.717 55.398 1.00 23.34 ? 607 ASN A CG  1 53  UNP P9WI81 607 N 
ATOM   409 O  OD1 . ASN A 1 53 ? 21.283 20.137 54.265 1.00 21.15 ? 607 ASN A OD1 1 53  UNP P9WI81 607 N 
ATOM   410 N  ND2 . ASN A 1 53 ? 22.195 18.592 55.618 1.00 21.44 ? 607 ASN A ND2 1 53  UNP P9WI81 607 N 
ATOM   411 N  N   . PRO A 1 54 ? 18.200 18.691 55.977 1.00 21.50 ? 608 PRO A N   1 54  UNP P9WI81 608 P 
ATOM   412 C  CA  . PRO A 1 54 ? 18.009 19.149 54.595 1.00 16.84 ? 608 PRO A CA  1 54  UNP P9WI81 608 P 
ATOM   413 C  C   . PRO A 1 54 ? 17.112 20.383 54.479 1.00 15.97 ? 608 PRO A C   1 54  UNP P9WI81 608 P 
ATOM   414 O  O   . PRO A 1 54 ? 16.386 20.696 55.418 1.00 15.99 ? 608 PRO A O   1 54  UNP P9WI81 608 P 
ATOM   415 C  CB  . PRO A 1 54 ? 17.341 17.941 53.917 1.00 14.05 ? 608 PRO A CB  1 54  UNP P9WI81 608 P 
ATOM   416 C  CG  . PRO A 1 54 ? 17.596 16.785 54.825 1.00 22.03 ? 608 PRO A CG  1 54  UNP P9WI81 608 P 
ATOM   417 C  CD  . PRO A 1 54 ? 17.589 17.370 56.194 1.00 19.17 ? 608 PRO A CD  1 54  UNP P9WI81 608 P 
ATOM   418 N  N   . PRO A 1 55 ? 17.164 21.082 53.335 1.00 23.16 ? 609 PRO A N   1 55  UNP P9WI81 609 P 
ATOM   419 C  CA  . PRO A 1 55 ? 16.266 22.224 53.130 1.00 21.96 ? 609 PRO A CA  1 55  UNP P9WI81 609 P 
ATOM   420 C  C   . PRO A 1 55 ? 14.814 21.781 53.002 1.00 18.90 ? 609 PRO A C   1 55  UNP P9WI81 609 P 
ATOM   421 O  O   . PRO A 1 55 ? 14.558 20.605 52.746 1.00 21.37 ? 609 PRO A O   1 55  UNP P9WI81 609 P 
ATOM   422 C  CB  . PRO A 1 55 ? 16.772 22.839 51.820 1.00 27.51 ? 609 PRO A CB  1 55  UNP P9WI81 609 P 
ATOM   423 C  CG  . PRO A 1 55 ? 17.464 21.719 51.118 1.00 22.57 ? 609 PRO A CG  1 55  UNP P9WI81 609 P 
ATOM   424 C  CD  . PRO A 1 55 ? 18.088 20.895 52.202 1.00 20.63 ? 609 PRO A CD  1 55  UNP P9WI81 609 P 
ATOM   425 N  N   . ALA A 1 56 ? 13.882 22.711 53.184 1.00 23.19 ? 610 ALA A N   1 56  UNP P9WI81 610 A 
ATOM   426 C  CA  . ALA A 1 56 ? 12.464 22.404 53.036 1.00 14.96 ? 610 ALA A CA  1 56  UNP P9WI81 610 A 
ATOM   427 C  C   . ALA A 1 56 ? 12.173 21.877 51.634 1.00 22.69 ? 610 ALA A C   1 56  UNP P9WI81 610 A 
ATOM   428 O  O   . ALA A 1 56 ? 12.773 22.326 50.659 1.00 17.86 ? 610 ALA A O   1 56  UNP P9WI81 610 A 
ATOM   429 C  CB  . ALA A 1 56 ? 11.621 23.632 53.327 1.00 16.39 ? 610 ALA A CB  1 56  UNP P9WI81 610 A 
ATOM   430 N  N   . GLY A 1 57 ? 11.263 20.914 51.542 1.00 17.51 ? 611 GLY A N   1 57  UNP P9WI81 611 G 
ATOM   431 C  CA  . GLY A 1 57 ? 10.901 20.329 50.265 1.00 20.72 ? 611 GLY A CA  1 57  UNP P9WI81 611 G 
ATOM   432 C  C   . GLY A 1 57 ? 11.743 19.119 49.905 1.00 26.46 ? 611 GLY A C   1 57  UNP P9WI81 611 G 
ATOM   433 O  O   . GLY A 1 57 ? 11.440 18.402 48.952 1.00 33.10 ? 611 GLY A O   1 57  UNP P9WI81 611 G 
ATOM   434 N  N   . THR A 1 58 ? 12.806 18.890 50.667 1.00 24.41 ? 612 THR A N   1 58  UNP P9WI81 612 T 
ATOM   435 C  CA  . THR A 1 58 ? 13.685 17.751 50.425 1.00 23.41 ? 612 THR A CA  1 58  UNP P9WI81 612 T 
ATOM   436 C  C   . THR A 1 58 ? 13.161 16.512 51.145 1.00 30.18 ? 612 THR A C   1 58  UNP P9WI81 612 T 
ATOM   437 O  O   . THR A 1 58 ? 12.720 16.590 52.292 1.00 28.24 ? 612 THR A O   1 58  UNP P9WI81 612 T 
ATOM   438 C  CB  . THR A 1 58 ? 15.129 18.040 50.887 1.00 18.47 ? 612 THR A CB  1 58  UNP P9WI81 612 T 
ATOM   439 O  OG1 . THR A 1 58 ? 15.662 19.140 50.141 1.00 40.95 ? 612 THR A OG1 1 58  UNP P9WI81 612 T 
ATOM   440 C  CG2 . THR A 1 58 ? 16.017 16.823 50.686 1.00 27.41 ? 612 THR A CG2 1 58  UNP P9WI81 612 T 
ATOM   441 N  N   . GLY A 1 59 ? 13.195 15.373 50.460 1.00 23.29 ? 613 GLY A N   1 59  UNP P9WI81 613 G 
ATOM   442 C  CA  . GLY A 1 59 ? 12.808 14.110 51.057 1.00 29.57 ? 613 GLY A CA  1 59  UNP P9WI81 613 G 
ATOM   443 C  C   . GLY A 1 59 ? 13.910 13.584 51.956 1.00 33.86 ? 613 GLY A C   1 59  UNP P9WI81 613 G 
ATOM   444 O  O   . GLY A 1 59 ? 14.995 13.239 51.488 1.00 39.55 ? 613 GLY A O   1 59  UNP P9WI81 613 G 
ATOM   445 N  N   . VAL A 1 60 ? 13.636 13.534 53.254 1.00 33.56 ? 614 VAL A N   1 60  UNP P9WI81 614 V 
ATOM   446 C  CA  . VAL A 1 60 ? 14.611 13.044 54.219 1.00 35.25 ? 614 VAL A CA  1 60  UNP P9WI81 614 V 
ATOM   447 C  C   . VAL A 1 60 ? 14.151 11.702 54.787 1.00 35.10 ? 614 VAL A C   1 60  UNP P9WI81 614 V 
ATOM   448 O  O   . VAL A 1 60 ? 12.956 11.413 54.825 1.00 31.31 ? 614 VAL A O   1 60  UNP P9WI81 614 V 
ATOM   449 C  CB  . VAL A 1 60 ? 14.837 14.070 55.359 1.00 35.08 ? 614 VAL A CB  1 60  UNP P9WI81 614 V 
ATOM   450 C  CG1 . VAL A 1 60 ? 13.637 14.119 56.269 1.00 31.77 ? 614 VAL A CG1 1 60  UNP P9WI81 614 V 
ATOM   451 C  CG2 . VAL A 1 60 ? 16.096 13.735 56.159 1.00 37.36 ? 614 VAL A CG2 1 60  UNP P9WI81 614 V 
ATOM   452 N  N   . ASN A 1 61 ? 15.103 10.875 55.209 1.00 33.89 ? 615 ASN A N   1 61  UNP P9WI81 615 N 
ATOM   453 C  CA  . ASN A 1 61 ? 14.785 9.560  55.753 1.00 28.37 ? 615 ASN A CA  1 61  UNP P9WI81 615 N 
ATOM   454 C  C   . ASN A 1 61 ? 14.306 9.657  57.192 1.00 32.32 ? 615 ASN A C   1 61  UNP P9WI81 615 N 
ATOM   455 O  O   . ASN A 1 61 ? 14.644 10.602 57.906 1.00 29.94 ? 615 ASN A O   1 61  UNP P9WI81 615 N 
ATOM   456 C  CB  . ASN A 1 61 ? 15.999 8.639  55.660 1.00 36.98 ? 615 ASN A CB  1 61  UNP P9WI81 615 N 
ATOM   457 C  CG  . ASN A 1 61 ? 16.468 8.462  54.236 1.00 40.29 ? 615 ASN A CG  1 61  UNP P9WI81 615 N 
ATOM   458 O  OD1 . ASN A 1 61 ? 15.722 8.742  53.297 1.00 43.37 ? 615 ASN A OD1 1 61  UNP P9WI81 615 N 
ATOM   459 N  ND2 . ASN A 1 61 ? 17.696 7.986  54.061 1.00 48.44 ? 615 ASN A ND2 1 61  UNP P9WI81 615 N 
ATOM   460 N  N   . ARG A 1 62 ? 13.523 8.669  57.612 1.00 29.03 ? 616 ARG A N   1 62  UNP P9WI81 616 R 
ATOM   461 C  CA  . ARG A 1 62 ? 12.922 8.672  58.940 1.00 30.04 ? 616 ARG A CA  1 62  UNP P9WI81 616 R 
ATOM   462 C  C   . ARG A 1 62 ? 13.973 8.711  60.043 1.00 27.27 ? 616 ARG A C   1 62  UNP P9WI81 616 R 
ATOM   463 O  O   . ARG A 1 62 ? 13.755 9.329  61.090 1.00 23.99 ? 616 ARG A O   1 62  UNP P9WI81 616 R 
ATOM   464 C  CB  . ARG A 1 62 ? 12.017 7.448  59.116 1.00 26.21 ? 616 ARG A CB  1 62  UNP P9WI81 616 R 
ATOM   465 C  CG  . ARG A 1 62 ? 10.756 7.728  59.912 1.00 38.82 ? 616 ARG A CG  1 62  UNP P9WI81 616 R 
ATOM   466 C  CD  . ARG A 1 62 ? 9.667  6.697  59.655 1.00 35.87 ? 616 ARG A CD  1 62  UNP P9WI81 616 R 
ATOM   467 N  NE  . ARG A 1 62 ? 9.722  5.588  60.606 1.00 43.38 ? 616 ARG A NE  1 62  UNP P9WI81 616 R 
ATOM   468 C  CZ  . ARG A 1 62 ? 9.259  5.644  61.852 1.00 40.61 ? 616 ARG A CZ  1 62  UNP P9WI81 616 R 
ATOM   469 N  NH1 . ARG A 1 62 ? 9.349  4.583  62.644 1.00 49.52 ? 616 ARG A NH1 1 62  UNP P9WI81 616 R 
ATOM   470 N  NH2 . ARG A 1 62 ? 8.714  6.760  62.313 1.00 31.79 ? 616 ARG A NH2 1 62  UNP P9WI81 616 R 
ATOM   471 N  N   . ASP A 1 63 ? 15.111 8.064  59.798 1.00 21.78 ? 617 ASP A N   1 63  UNP P9WI81 617 D 
ATOM   472 C  CA  . ASP A 1 63 ? 16.208 8.075  60.757 1.00 33.54 ? 617 ASP A CA  1 63  UNP P9WI81 617 D 
ATOM   473 C  C   . ASP A 1 63 ? 17.428 8.807  60.212 1.00 33.58 ? 617 ASP A C   1 63  UNP P9WI81 617 D 
ATOM   474 O  O   . ASP A 1 63 ? 18.533 8.667  60.737 1.00 35.78 ? 617 ASP A O   1 63  UNP P9WI81 617 D 
ATOM   475 C  CB  . ASP A 1 63 ? 16.589 6.651  61.159 1.00 35.52 ? 617 ASP A CB  1 63  UNP P9WI81 617 D 
ATOM   476 C  CG  . ASP A 1 63 ? 16.977 5.794  59.955 1.00 52.27 ? 617 ASP A CG  1 63  UNP P9WI81 617 D 
ATOM   477 O  OD1 . ASP A 1 63 ? 16.074 5.233  59.300 1.00 54.89 ? 617 ASP A OD1 1 63  UNP P9WI81 617 D 
ATOM   478 O  OD2 . ASP A 1 63 ? 18.182 5.700  59.636 1.00 59.70 ? 617 ASP A OD2 1 63  UNP P9WI81 617 D 
ATOM   479 N  N   . GLY A 1 64 ? 17.203 9.655  59.213 1.00 29.76 ? 618 GLY A N   1 64  UNP P9WI81 618 G 
ATOM   480 C  CA  . GLY A 1 64 ? 18.269 10.469 58.659 1.00 21.90 ? 618 GLY A CA  1 64  UNP P9WI81 618 G 
ATOM   481 C  C   . GLY A 1 64 ? 18.679 11.580 59.608 1.00 24.03 ? 618 GLY A C   1 64  UNP P9WI81 618 G 
ATOM   482 O  O   . GLY A 1 64 ? 17.933 11.932 60.518 1.00 24.45 ? 618 GLY A O   1 64  UNP P9WI81 618 G 
ATOM   483 N  N   . ILE A 1 65 ? 19.869 12.131 59.397 1.00 19.33 ? 619 ILE A N   1 65  UNP P9WI81 619 I 
ATOM   484 C  CA  . ILE A 1 65 ? 20.383 13.197 60.252 1.00 25.72 ? 619 ILE A CA  1 65  UNP P9WI81 619 I 
ATOM   485 C  C   . ILE A 1 65 ? 19.832 14.561 59.845 1.00 13.53 ? 619 ILE A C   1 65  UNP P9WI81 619 I 
ATOM   486 O  O   . ILE A 1 65 ? 19.887 14.937 58.673 1.00 22.62 ? 619 ILE A O   1 65  UNP P9WI81 619 I 
ATOM   487 C  CB  . ILE A 1 65 ? 21.922 13.250 60.220 1.00 18.08 ? 619 ILE A CB  1 65  UNP P9WI81 619 I 
ATOM   488 C  CG1 . ILE A 1 65 ? 22.510 11.950 60.770 1.00 19.81 ? 619 ILE A CG1 1 65  UNP P9WI81 619 I 
ATOM   489 C  CG2 . ILE A 1 65 ? 22.435 14.442 61.010 1.00 17.63 ? 619 ILE A CG2 1 65  UNP P9WI81 619 I 
ATOM   490 C  CD1 . ILE A 1 65 ? 24.024 11.881 60.686 1.00 18.98 ? 619 ILE A CD1 1 65  UNP P9WI81 619 I 
ATOM   491 N  N   . ILE A 1 66 ? 19.290 15.291 60.815 1.00 19.64 ? 620 ILE A N   1 66  UNP P9WI81 620 I 
ATOM   492 C  CA  . ILE A 1 66 ? 18.837 16.656 60.575 1.00 23.64 ? 620 ILE A CA  1 66  UNP P9WI81 620 I 
ATOM   493 C  C   . ILE A 1 66 ? 19.713 17.644 61.341 1.00 21.78 ? 620 ILE A C   1 66  UNP P9WI81 620 I 
ATOM   494 O  O   . ILE A 1 66 ? 19.992 17.453 62.526 1.00 15.77 ? 620 ILE A O   1 66  UNP P9WI81 620 I 
ATOM   495 C  CB  . ILE A 1 66 ? 17.359 16.844 60.972 1.00 21.67 ? 620 ILE A CB  1 66  UNP P9WI81 620 I 
ATOM   496 C  CG1 . ILE A 1 66 ? 16.456 16.062 60.017 1.00 17.63 ? 620 ILE A CG1 1 66  UNP P9WI81 620 I 
ATOM   497 C  CG2 . ILE A 1 66 ? 16.979 18.322 60.961 1.00 15.61 ? 620 ILE A CG2 1 66  UNP P9WI81 620 I 
ATOM   498 C  CD1 . ILE A 1 66 ? 14.983 16.140 60.364 1.00 20.40 ? 620 ILE A CD1 1 66  UNP P9WI81 620 I 
ATOM   499 N  N   . THR A 1 67 ? 20.157 18.690 60.651 1.00 10.40 ? 621 THR A N   1 67  UNP P9WI81 621 T 
ATOM   500 C  CA  . THR A 1 67 ? 21.012 19.703 61.256 1.00 12.31 ? 621 THR A CA  1 67  UNP P9WI81 621 T 
ATOM   501 C  C   . THR A 1 67 ? 20.254 21.010 61.454 1.00 15.09 ? 621 THR A C   1 67  UNP P9WI81 621 T 
ATOM   502 O  O   . THR A 1 67 ? 19.570 21.479 60.546 1.00 18.76 ? 621 THR A O   1 67  UNP P9WI81 621 T 
ATOM   503 C  CB  . THR A 1 67 ? 22.262 19.970 60.394 1.00 17.06 ? 621 THR A CB  1 67  UNP P9WI81 621 T 
ATOM   504 O  OG1 . THR A 1 67 ? 22.932 18.732 60.123 1.00 20.95 ? 621 THR A OG1 1 67  UNP P9WI81 621 T 
ATOM   505 C  CG2 . THR A 1 67 ? 23.216 20.916 61.108 1.00 16.58 ? 621 THR A CG2 1 67  UNP P9WI81 621 T 
ATOM   506 N  N   . LEU A 1 68 ? 20.369 21.593 62.644 1.00 20.65 ? 622 LEU A N   1 68  UNP P9WI81 622 L 
ATOM   507 C  CA  . LEU A 1 68 ? 19.759 22.889 62.912 1.00 15.36 ? 622 LEU A CA  1 68  UNP P9WI81 622 L 
ATOM   508 C  C   . LEU A 1 68 ? 20.772 23.885 63.460 1.00 17.25 ? 622 LEU A C   1 68  UNP P9WI81 622 L 
ATOM   509 O  O   . LEU A 1 68 ? 21.600 23.547 64.306 1.00 11.75 ? 622 LEU A O   1 68  UNP P9WI81 622 L 
ATOM   510 C  CB  . LEU A 1 68 ? 18.595 22.754 63.895 1.00 8.85  ? 622 LEU A CB  1 68  UNP P9WI81 622 L 
ATOM   511 C  CG  . LEU A 1 68 ? 17.389 21.921 63.466 1.00 19.53 ? 622 LEU A CG  1 68  UNP P9WI81 622 L 
ATOM   512 C  CD1 . LEU A 1 68 ? 16.324 21.975 64.541 1.00 12.04 ? 622 LEU A CD1 1 68  UNP P9WI81 622 L 
ATOM   513 C  CD2 . LEU A 1 68 ? 16.835 22.410 62.140 1.00 16.05 ? 622 LEU A CD2 1 68  UNP P9WI81 622 L 
ATOM   514 N  N   . ARG A 1 69 ? 20.702 25.114 62.964 1.00 18.52 ? 623 ARG A N   1 69  UNP P9WI81 623 R 
ATOM   515 C  CA  . ARG A 1 69 ? 21.485 26.208 63.523 1.00 11.81 ? 623 ARG A CA  1 69  UNP P9WI81 623 R 
ATOM   516 C  C   . ARG A 1 69 ? 20.536 27.279 64.037 1.00 16.36 ? 623 ARG A C   1 69  UNP P9WI81 623 R 
ATOM   517 O  O   . ARG A 1 69 ? 19.712 27.807 63.286 1.00 14.32 ? 623 ARG A O   1 69  UNP P9WI81 623 R 
ATOM   518 C  CB  . ARG A 1 69 ? 22.443 26.789 62.483 1.00 14.63 ? 623 ARG A CB  1 69  UNP P9WI81 623 R 
ATOM   519 C  CG  . ARG A 1 69 ? 23.408 25.770 61.892 1.00 11.83 ? 623 ARG A CG  1 69  UNP P9WI81 623 R 
ATOM   520 C  CD  . ARG A 1 69 ? 24.430 26.453 61.000 1.00 20.17 ? 623 ARG A CD  1 69  UNP P9WI81 623 R 
ATOM   521 N  NE  . ARG A 1 69 ? 25.270 27.374 61.761 1.00 16.08 ? 623 ARG A NE  1 69  UNP P9WI81 623 R 
ATOM   522 C  CZ  . ARG A 1 69 ? 26.028 28.320 61.218 1.00 21.07 ? 623 ARG A CZ  1 69  UNP P9WI81 623 R 
ATOM   523 N  NH1 . ARG A 1 69 ? 26.053 28.480 59.901 1.00 20.22 ? 623 ARG A NH1 1 69  UNP P9WI81 623 R 
ATOM   524 N  NH2 . ARG A 1 69 ? 26.759 29.109 61.995 1.00 17.25 ? 623 ARG A NH2 1 69  UNP P9WI81 623 R 
ATOM   525 N  N   . PHE A 1 70 ? 20.648 27.590 65.322 1.00 12.11 ? 624 PHE A N   1 70  UNP P9WI81 624 F 
ATOM   526 C  CA  . PHE A 1 70 ? 19.736 28.529 65.960 1.00 5.73  ? 624 PHE A CA  1 70  UNP P9WI81 624 F 
ATOM   527 C  C   . PHE A 1 70 ? 20.328 29.925 66.072 1.00 20.49 ? 624 PHE A C   1 70  UNP P9WI81 624 F 
ATOM   528 O  O   . PHE A 1 70 ? 21.545 30.097 66.060 1.00 15.41 ? 624 PHE A O   1 70  UNP P9WI81 624 F 
ATOM   529 C  CB  . PHE A 1 70 ? 19.344 28.028 67.350 1.00 14.61 ? 624 PHE A CB  1 70  UNP P9WI81 624 F 
ATOM   530 C  CG  . PHE A 1 70 ? 18.554 26.755 67.332 1.00 15.84 ? 624 PHE A CG  1 70  UNP P9WI81 624 F 
ATOM   531 C  CD1 . PHE A 1 70 ? 17.177 26.783 67.207 1.00 10.71 ? 624 PHE A CD1 1 70  UNP P9WI81 624 F 
ATOM   532 C  CD2 . PHE A 1 70 ? 19.189 25.529 67.434 1.00 23.73 ? 624 PHE A CD2 1 70  UNP P9WI81 624 F 
ATOM   533 C  CE1 . PHE A 1 70 ? 16.448 25.613 67.186 1.00 16.87 ? 624 PHE A CE1 1 70  UNP P9WI81 624 F 
ATOM   534 C  CE2 . PHE A 1 70 ? 18.462 24.355 67.412 1.00 23.26 ? 624 PHE A CE2 1 70  UNP P9WI81 624 F 
ATOM   535 C  CZ  . PHE A 1 70 ? 17.091 24.399 67.286 1.00 14.08 ? 624 PHE A CZ  1 70  UNP P9WI81 624 F 
ATOM   536 N  N   . GLY A 1 71 ? 19.453 30.918 66.185 1.00 11.98 ? 625 GLY A N   1 71  UNP P9WI81 625 G 
ATOM   537 C  CA  . GLY A 1 71 ? 19.878 32.284 66.405 1.00 11.23 ? 625 GLY A CA  1 71  UNP P9WI81 625 G 
ATOM   538 C  C   . GLY A 1 71 ? 20.576 32.418 67.741 1.00 13.72 ? 625 GLY A C   1 71  UNP P9WI81 625 G 
ATOM   539 O  O   . GLY A 1 71 ? 20.064 31.975 68.771 1.00 17.36 ? 625 GLY A O   1 71  UNP P9WI81 625 G 
ATOM   540 N  N   . GLN A 1 72 ? 21.756 33.026 67.714 1.00 12.17 ? 626 GLN A N   1 72  UNP P9WI81 626 Q 
ATOM   541 C  CA  . GLN A 1 72 ? 22.565 33.226 68.909 1.00 16.92 ? 626 GLN A CA  1 72  UNP P9WI81 626 Q 
ATOM   542 C  C   . GLN A 1 72 ? 21.813 34.018 69.976 1.00 21.53 ? 626 GLN A C   1 72  UNP P9WI81 626 Q 
ATOM   543 O  O   . GLN A 1 72 ? 21.877 33.712 71.166 1.00 16.58 ? 626 GLN A O   1 72  UNP P9WI81 626 Q 
ATOM   544 C  CB  . GLN A 1 72 ? 23.861 33.943 68.536 1.00 20.65 ? 626 GLN A CB  1 72  UNP P9WI81 626 Q 
ATOM   545 C  CG  . GLN A 1 72 ? 24.817 34.171 69.683 1.00 22.18 ? 626 GLN A CG  1 72  UNP P9WI81 626 Q 
ATOM   546 C  CD  . GLN A 1 72 ? 26.044 34.949 69.251 1.00 29.43 ? 626 GLN A CD  1 72  UNP P9WI81 626 Q 
ATOM   547 O  OE1 . GLN A 1 72 ? 26.841 34.474 68.443 1.00 36.74 ? 626 GLN A OE1 1 72  UNP P9WI81 626 Q 
ATOM   548 N  NE2 . GLN A 1 72 ? 26.194 36.159 69.780 1.00 30.63 ? 626 GLN A NE2 1 72  UNP P9WI81 626 Q 
ATOM   549 O  OXT . GLN A 1 72 ? 21.113 34.980 69.665 1.00 13.00 ? 626 GLN A OXT 1 72  UNP P9WI81 626 Q 
HETATM 550 ZN ZN  . ZN  B 2 .  ? 20.757 36.010 71.556 0.50 27.35 ? 701 ZN  A ZN  1 701 ?   ?      ?   ? 
HETATM 551 ZN ZN  . ZN  C 2 .  ? 15.079 15.221 71.460 0.50 39.91 ? 702 ZN  A ZN  1 702 ?   ?      ?   ? 
HETATM 552 ZN ZN  . ZN  D 2 .  ? 5.337  25.565 72.233 0.61 46.86 ? 703 ZN  A ZN  1 703 ?   ?      ?   ? 
HETATM 553 ZN ZN  . ZN  E 2 .  ? 24.517 40.113 67.535 0.44 35.12 ? 704 ZN  A ZN  1 704 ?   ?      ?   ? 
HETATM 554 ZN ZN  A ZN  F 2 .  ? 14.599 32.168 74.190 0.49 14.83 ? 705 ZN  A ZN  1 705 ?   ?      ?   ? 
HETATM 555 ZN ZN  B ZN  F 2 .  ? 18.619 31.455 79.010 0.51 14.83 ? 705 ZN  A ZN  1 705 ?   ?      ?   ? 
HETATM 556 ZN ZN  . ZN  G 2 .  ? 19.035 43.400 69.193 0.68 37.76 ? 706 ZN  A ZN  1 706 ?   ?      ?   ? 
HETATM 557 ZN ZN  . ZN  H 2 .  ? 22.734 27.076 71.370 0.53 60.15 ? 707 ZN  A ZN  1 707 ?   ?      ?   ? 
HETATM 558 ZN ZN  . ZN  I 2 .  ? 20.950 29.595 71.277 0.49 53.81 ? 708 ZN  A ZN  1 708 ?   ?      ?   ? 
HETATM 559 O  O   . HOH J 3 .  ? 16.509 40.165 64.545 1.00 30.58 ? 801 HOH A O   1 801 ?   ?      ?   ? 
HETATM 560 O  O   . HOH J 3 .  ? 6.407  7.935  53.506 1.00 28.38 ? 802 HOH A O   1 802 ?   ?      ?   ? 
HETATM 561 O  O   . HOH J 3 .  ? 25.328 18.123 60.157 1.00 16.26 ? 803 HOH A O   1 803 ?   ?      ?   ? 
HETATM 562 O  O   . HOH J 3 .  ? 22.691 26.590 66.941 1.00 14.68 ? 804 HOH A O   1 804 ?   ?      ?   ? 
HETATM 563 O  O   . HOH J 3 .  ? 8.746  28.126 59.809 1.00 29.04 ? 805 HOH A O   1 805 ?   ?      ?   ? 
HETATM 564 O  O   . HOH J 3 .  ? 6.133  14.462 53.488 1.00 35.43 ? 806 HOH A O   1 806 ?   ?      ?   ? 
HETATM 565 O  O   . HOH J 3 .  ? 18.884 13.287 67.974 1.00 36.37 ? 807 HOH A O   1 807 ?   ?      ?   ? 
HETATM 566 O  O   . HOH J 3 .  ? 6.209  17.252 55.707 1.00 33.66 ? 808 HOH A O   1 808 ?   ?      ?   ? 
HETATM 567 O  O   . HOH J 3 .  ? 19.758 13.737 56.361 1.00 40.91 ? 809 HOH A O   1 809 ?   ?      ?   ? 
HETATM 568 O  O   . HOH J 3 .  ? 22.646 28.904 72.335 1.00 43.07 ? 810 HOH A O   1 810 ?   ?      ?   ? 
HETATM 569 O  O   . HOH J 3 .  ? 15.472 26.713 70.580 1.00 28.63 ? 811 HOH A O   1 811 ?   ?      ?   ? 
HETATM 570 O  O   . HOH J 3 .  ? 15.574 30.156 56.411 1.00 38.22 ? 812 HOH A O   1 812 ?   ?      ?   ? 
HETATM 571 O  O   . HOH J 3 .  ? 14.734 32.622 61.049 1.00 35.89 ? 813 HOH A O   1 813 ?   ?      ?   ? 
HETATM 572 O  O   . HOH J 3 .  ? 8.034  28.101 67.484 1.00 30.88 ? 814 HOH A O   1 814 ?   ?      ?   ? 
HETATM 573 O  O   . HOH J 3 .  ? 15.441 26.927 57.949 1.00 23.42 ? 815 HOH A O   1 815 ?   ?      ?   ? 
HETATM 574 O  O   . HOH J 3 .  ? 9.135  10.371 66.215 1.00 37.63 ? 816 HOH A O   1 816 ?   ?      ?   ? 
HETATM 575 O  O   . HOH J 3 .  ? 13.834 35.312 69.940 1.00 33.20 ? 817 HOH A O   1 817 ?   ?      ?   ? 
HETATM 576 O  O   . HOH J 3 .  ? 21.858 17.097 58.205 1.00 20.82 ? 818 HOH A O   1 818 ?   ?      ?   ? 
HETATM 577 O  O   . HOH J 3 .  ? 20.182 35.716 67.003 1.00 16.33 ? 819 HOH A O   1 819 ?   ?      ?   ? 
HETATM 578 O  O   . HOH J 3 .  ? 18.120 42.698 66.573 1.00 24.65 ? 820 HOH A O   1 820 ?   ?      ?   ? 
HETATM 579 O  O   . HOH J 3 .  ? 20.323 9.651  62.661 1.00 31.79 ? 821 HOH A O   1 821 ?   ?      ?   ? 
HETATM 580 O  O   . HOH J 3 .  ? 5.581  22.010 67.305 1.00 27.93 ? 822 HOH A O   1 822 ?   ?      ?   ? 
HETATM 581 O  O   . HOH J 3 .  ? 13.623 37.729 71.062 1.00 44.51 ? 823 HOH A O   1 823 ?   ?      ?   ? 
HETATM 582 O  O   . HOH J 3 .  ? 24.487 18.273 68.369 1.00 28.94 ? 824 HOH A O   1 824 ?   ?      ?   ? 
HETATM 583 O  O   . HOH J 3 .  ? 26.816 30.338 70.775 1.00 38.86 ? 825 HOH A O   1 825 ?   ?      ?   ? 
HETATM 584 O  O   . HOH J 3 .  ? 12.691 38.799 62.537 1.00 29.79 ? 826 HOH A O   1 826 ?   ?      ?   ? 
HETATM 585 O  O   . HOH J 3 .  ? 17.910 11.421 54.759 1.00 36.83 ? 827 HOH A O   1 827 ?   ?      ?   ? 
HETATM 586 O  O   . HOH J 3 .  ? 8.207  21.744 52.663 1.00 32.09 ? 828 HOH A O   1 828 ?   ?      ?   ? 
HETATM 587 O  O   . HOH J 3 .  ? 6.796  23.721 55.419 1.00 27.59 ? 829 HOH A O   1 829 ?   ?      ?   ? 
HETATM 588 O  O   . HOH J 3 .  ? 21.435 10.882 57.202 1.00 30.38 ? 830 HOH A O   1 830 ?   ?      ?   ? 
HETATM 589 O  O   . HOH J 3 .  ? 17.724 26.629 56.100 1.00 18.47 ? 831 HOH A O   1 831 ?   ?      ?   ? 
HETATM 590 O  O   . HOH J 3 .  ? 25.658 36.077 61.258 0.50 24.44 ? 832 HOH A O   1 832 ?   ?      ?   ? 
HETATM 591 O  O   . HOH J 3 .  ? 15.129 25.299 54.094 1.00 31.62 ? 833 HOH A O   1 833 ?   ?      ?   ? 
HETATM 592 O  O   . HOH J 3 .  ? 6.141  26.000 58.166 1.00 33.69 ? 834 HOH A O   1 834 ?   ?      ?   ? 
HETATM 593 O  O   . HOH J 3 .  ? 14.017 25.067 50.031 1.00 42.60 ? 835 HOH A O   1 835 ?   ?      ?   ? 
HETATM 594 O  O   . HOH J 3 .  ? 25.689 30.064 55.813 1.00 39.44 ? 836 HOH A O   1 836 ?   ?      ?   ? 
HETATM 595 O  O   . HOH J 3 .  ? 15.722 13.299 71.052 1.00 40.57 ? 837 HOH A O   1 837 ?   ?      ?   ? 
HETATM 596 O  O   . HOH J 3 .  ? 14.559 14.874 47.643 1.00 34.20 ? 838 HOH A O   1 838 ?   ?      ?   ? 
HETATM 597 O  O   . HOH J 3 .  ? 27.251 34.197 63.154 1.00 38.39 ? 839 HOH A O   1 839 ?   ?      ?   ? 
HETATM 598 O  O   . HOH J 3 .  ? 17.905 25.268 54.139 1.00 32.99 ? 840 HOH A O   1 840 ?   ?      ?   ? 
HETATM 599 O  O   . HOH J 3 .  ? 17.461 14.882 69.991 1.00 23.78 ? 841 HOH A O   1 841 ?   ?      ?   ? 
HETATM 600 O  O   . HOH J 3 .  ? 14.131 25.976 72.706 1.00 40.97 ? 842 HOH A O   1 842 ?   ?      ?   ? 
HETATM 601 O  O   . HOH J 3 .  ? 17.314 17.917 72.194 1.00 29.06 ? 843 HOH A O   1 843 ?   ?      ?   ? 
HETATM 602 O  O   . HOH J 3 .  ? 25.283 39.296 69.847 1.00 29.23 ? 844 HOH A O   1 844 ?   ?      ?   ? 
HETATM 603 O  O   . HOH J 3 .  ? 23.804 17.036 53.167 1.00 36.44 ? 845 HOH A O   1 845 ?   ?      ?   ? 
HETATM 604 O  O   . HOH J 3 .  ? 6.208  27.463 60.616 1.00 31.73 ? 846 HOH A O   1 846 ?   ?      ?   ? 
HETATM 605 O  O   . HOH J 3 .  ? 26.231 17.084 67.076 1.00 35.98 ? 847 HOH A O   1 847 ?   ?      ?   ? 
HETATM 606 O  O   . HOH J 3 .  ? 24.384 16.282 57.803 1.00 35.05 ? 848 HOH A O   1 848 ?   ?      ?   ? 
HETATM 607 O  O   . HOH J 3 .  ? 15.935 24.338 73.726 1.00 38.25 ? 849 HOH A O   1 849 ?   ?      ?   ? 
HETATM 608 O  O   . HOH J 3 .  ? 4.251  22.304 64.969 1.00 26.23 ? 850 HOH A O   1 850 ?   ?      ?   ? 
# 
