data_8QPC
# 
_entry.id   8QPC 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8QPC         pdb_00008qpc 10.2210/pdb8qpc/pdb 
WWPDB D_1292133597 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2023-11-08 ? 
2 'Structure model' 2 0 2023-11-15 ? 
3 'Structure model' 3 0 2024-05-01 ? 
4 'Structure model' 3 1 2025-01-22 ? 
5 'Structure model' 3 2 2025-02-26 ? 
# 
_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' 'Atomic model'        
2 2 'Structure model' 'Data collection'     
3 3 'Structure model' 'Atomic model'        
4 3 'Structure model' 'Polymer sequence'    
5 4 'Structure model' 'Database references' 
6 4 'Structure model' 'Structure summary'   
7 5 'Structure model' 'Database references' 
# 
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  2 'Structure model' atom_site                      
2  2 'Structure model' chem_comp_atom                 
3  2 'Structure model' chem_comp_bond                 
4  2 'Structure model' pdbx_validate_main_chain_plane 
5  2 'Structure model' pdbx_validate_peptide_omega    
6  2 'Structure model' pdbx_validate_rmsd_angle       
7  3 'Structure model' atom_site                      
8  3 'Structure model' entity_poly                    
9  4 'Structure model' citation                       
10 4 'Structure model' citation_author                
11 4 'Structure model' pdbx_entry_details             
12 4 'Structure model' pdbx_modification_feature      
13 5 'Structure model' citation                       
# 
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  2 'Structure model' '_atom_site.auth_atom_id'                            
2  2 'Structure model' '_atom_site.label_atom_id'                           
3  2 'Structure model' '_chem_comp_atom.atom_id'                            
4  2 'Structure model' '_chem_comp_bond.atom_id_1'                          
5  2 'Structure model' '_chem_comp_bond.atom_id_2'                          
6  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_deviation'          
7  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_standard_deviation' 
8  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_target_value'       
9  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_value'              
10 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_1'           
11 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_2'           
12 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_3'           
13 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_comp_id_2'           
14 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_seq_id_2'            
15 3 'Structure model' '_atom_site.B_iso_or_equiv'                          
16 3 'Structure model' '_atom_site.Cartn_x'                                 
17 3 'Structure model' '_atom_site.Cartn_y'                                 
18 3 'Structure model' '_atom_site.Cartn_z'                                 
19 3 'Structure model' '_atom_site.pdbx_formal_charge'                      
20 3 'Structure model' '_entity_poly.pdbx_seq_one_letter_code_can'          
21 4 'Structure model' '_citation.country'                                  
22 4 'Structure model' '_citation.id'                                       
23 4 'Structure model' '_citation.journal_abbrev'                           
24 4 'Structure model' '_citation.journal_id_ASTM'                          
25 4 'Structure model' '_citation.journal_id_CSD'                           
26 4 'Structure model' '_citation.journal_id_ISSN'                          
27 4 'Structure model' '_citation.page_first'                               
28 4 'Structure model' '_citation.page_last'                                
29 4 'Structure model' '_citation.pdbx_database_id_DOI'                     
30 4 'Structure model' '_citation.pdbx_database_id_PubMed'                  
31 4 'Structure model' '_citation.title'                                    
32 4 'Structure model' '_citation.year'                                     
33 4 'Structure model' '_pdbx_entry_details.has_protein_modification'       
34 5 'Structure model' '_citation.journal_volume'                           
35 5 'Structure model' '_citation.year'                                     
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8QPC 
_pdbx_database_status.recvd_initial_deposition_date   2023-10-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ivan.huc@cup.lmu.de 
_pdbx_contact_author.name_first         Ivan 
_pdbx_contact_author.name_last          Huc 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7036-9696 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Deepak, D.'    1 0000-0002-0412-2502 
'Corvaglia, V.' 2 ?                   
'Wu, J.'        3 ?                   
'Huc, I.'       4 0000-0001-7036-9696 
# 
loop_
_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 
_citation.database_id_Medline 
_citation.details 
_citation.id 
_citation.journal_abbrev 
_citation.journal_id_ASTM 
_citation.journal_id_CSD 
_citation.journal_id_ISSN 
_citation.journal_full 
_citation.journal_issue 
_citation.journal_volume 
_citation.language 
_citation.page_first 
_citation.page_last 
_citation.title 
_citation.year 
_citation.database_id_CSD 
_citation.pdbx_database_id_DOI 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_patent 
_citation.unpublished_flag 
? ? ? ? ? ? ? GE ? ? primary Angew.Chem.Int.Ed.Engl. ACIEAY 0179 1521-3773 ? ? 64 ? e202422958 e202422958 
'DNA Mimic Foldamer Recognition of a Chromosomal Protein.'                                             2025 ? 
10.1002/anie.202422958    39714421 ? ? 
? ? ? ? ? ? ? UK ? ? 1       'Nat Chem'              ?      ?    1755-4349 ? ? 10 ? 511        518        
'Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA.' 2018 ? 
10.1038/s41557-018-0018-7 ?        ? ? 
? ? ? ? ? ? ? UK ? ? 2       'Nucleic Acids Res'     NARHAD 0389 1362-4962 ? ? 33 ? 430        438        
'Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d.'           2005 ? 10.1093/nar/gki191 
29610464 ? ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Deepak, D.'       1  0000-0002-0412-2502 
primary 'Wu, J.'           2  0009-0003-7609-0938 
primary 'Corvaglia, V.'    3  0000-0002-6180-5975 
primary 'Allmendinger, L.' 4  0000-0002-9476-6175 
primary 'Scheckenbach, M.' 5  0000-0002-7912-6292 
primary 'Tinnefeld, P.'    6  0000-0003-4290-7770 
primary 'Huc, I.'          7  0000-0001-7036-9696 
1       'Ziach, K.'        8  0000-0001-5465-9407 
1       'Chollet, C.'      9  ?                   
1       'Parissi, V.'      10 ?                   
1       'Prabhakaran, P.'  11 0000-0001-7530-0663 
1       'Marchivie, M.'    12 0000-0003-1362-0797 
1       'Corvaglia, V.'    13 0000-0002-6180-5975 
1       'Bose, P.P.'       14 0000-0003-4387-3584 
1       'Laxmi-Reddy, K.'  15 ?                   
1       'Godde, F.'        16 ?                   
1       'Schmitter, J.M.'  17 ?                   
1       'Chaignepain, S.'  18 ?                   
1       'Pourquier, P.'    19 0000-0001-5326-3005 
1       'Huc, I.'          20 0000-0001-7036-9696 
2       'Chen, C.Y.'       21 ?                   
2       'Ko, T.P.'         22 ?                   
2       'Lin, T.W.'        23 ?                   
2       'Chou, C.C.'       24 ?                   
2       'Chen, C.J.'       25 ?                   
2       'Wang, A.H.'       26 ?                   
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'DNA-binding protein 7b'                                                                                    7538.743 
1 ? V26A/M29A ? ? 
2 polymer syn 'N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide' 2561.772 
1 ? ?         ? ? 
3 polymer syn 'N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide' 2563.788 
1 ? ?         ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '7 kDa DNA-binding protein b,Sac7b' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  MVKVKFKYKGEEKEVDTSKIKKVWRAGKAVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK 
MVKVKFKYKGEEKEVDTSKIKKVWRAGKAVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK AA ? 
2 'polypeptide(L)' no yes '(DBU)(V4F)(V53)(V4F)(V53)(V5F)(V4F)(V53)(V4F)(V53)'               TXXXXXXXXX B  ? 
3 'polypeptide(L)' no yes '(DBB)(V4F)(V53)(V4F)(V53)(V5F)(V4F)(V53)(V4F)(V53)'               XXXXXXXXXX C  ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  MET n 
1 2  VAL n 
1 3  LYS n 
1 4  VAL n 
1 5  LYS n 
1 6  PHE n 
1 7  LYS n 
1 8  TYR n 
1 9  LYS n 
1 10 GLY n 
1 11 GLU n 
1 12 GLU n 
1 13 LYS n 
1 14 GLU n 
1 15 VAL n 
1 16 ASP n 
1 17 THR n 
1 18 SER n 
1 19 LYS n 
1 20 ILE n 
1 21 LYS n 
1 22 LYS n 
1 23 VAL n 
1 24 TRP n 
1 25 ARG n 
1 26 ALA n 
1 27 GLY n 
1 28 LYS n 
1 29 ALA n 
1 30 VAL n 
1 31 SER n 
1 32 PHE n 
1 33 THR n 
1 34 TYR n 
1 35 ASP n 
1 36 ASP n 
1 37 ASN n 
1 38 GLY n 
1 39 LYS n 
1 40 THR n 
1 41 GLY n 
1 42 ARG n 
1 43 GLY n 
1 44 ALA n 
1 45 VAL n 
1 46 SER n 
1 47 GLU n 
1 48 LYS n 
1 49 ASP n 
1 50 ALA n 
1 51 PRO n 
1 52 LYS n 
1 53 GLU n 
1 54 LEU n 
1 55 LEU n 
1 56 ASP n 
1 57 MET n 
1 58 LEU n 
1 59 ALA n 
1 60 ARG n 
1 61 ALA n 
1 62 GLU n 
1 63 ARG n 
1 64 GLU n 
1 65 LYS n 
1 66 LYS n 
2 1  DBU n 
2 2  V4F n 
2 3  V53 n 
2 4  V4F n 
2 5  V53 n 
2 6  V5F n 
2 7  V4F n 
2 8  V53 n 
2 9  V4F n 
2 10 V53 n 
3 1  DBB n 
3 2  V4F n 
3 3  V53 n 
3 4  V4F n 
3 5  V53 n 
3 6  V5F n 
3 7  V4F n 
3 8  V53 n 
3 9  V4F n 
3 10 V53 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                   66 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 Saci_0064 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Sulfolobus acidocaldarius' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     2285 
_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               'BL21 DE 3 plys S' 
_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_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
2 1 sample 1 10 'synthetic construct' ? 32630 ? 
3 1 sample 1 10 'synthetic construct' ? 32630 ? 
# 
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 
DBB 'D-peptide linking' . 'D-ALPHA-AMINOBUTYRIC ACID'                                       ?                 'C4 H9 N O2'      
103.120 
DBU 'peptide linking'   n '(2Z)-2-AMINOBUT-2-ENOIC ACID'                                    Z-DEHYDROBUTYRINE 'C4 H7 N O2'      
101.104 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                   ?                 'C5 H9 N O4'      
147.129 
GLY 'peptide linking'   y GLYCINE                                                           ?                 'C2 H5 N O2'      
75.067  
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 
V4F 'peptide linking'   n '8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid' ?                 'C12 H13 N2 O6 P' 
312.215 
V53 'peptide linking'   n '8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid'        ?                 'C11 H11 N2 O6 P' 
298.189 
V5F 'peptide linking'   . '(2R)-2-(2-azanylphenoxy)propanoic acid'                          ?                 'C9 H11 N O3'     
181.189 
VAL 'L-peptide linking' y VALINE                                                            ?                 'C5 H11 N O2'     
117.146 
# 
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  MET 1  1  1  MET MET AA . n 
A 1 2  VAL 2  2  2  VAL VAL AA . n 
A 1 3  LYS 3  3  3  LYS LYS AA . n 
A 1 4  VAL 4  4  4  VAL VAL AA . n 
A 1 5  LYS 5  5  5  LYS LYS AA . n 
A 1 6  PHE 6  6  6  PHE PHE AA . n 
A 1 7  LYS 7  7  7  LYS LYS AA . n 
A 1 8  TYR 8  8  8  TYR TYR AA . n 
A 1 9  LYS 9  9  9  LYS LYS AA . n 
A 1 10 GLY 10 10 10 GLY GLY AA . n 
A 1 11 GLU 11 11 11 GLU GLU AA . n 
A 1 12 GLU 12 12 12 GLU GLU AA . n 
A 1 13 LYS 13 13 13 LYS LYS AA . n 
A 1 14 GLU 14 14 14 GLU GLU AA . n 
A 1 15 VAL 15 15 15 VAL VAL AA . n 
A 1 16 ASP 16 16 16 ASP ASP AA . n 
A 1 17 THR 17 17 17 THR THR AA . n 
A 1 18 SER 18 18 18 SER SER AA . n 
A 1 19 LYS 19 19 19 LYS LYS AA . n 
A 1 20 ILE 20 20 20 ILE ILE AA . n 
A 1 21 LYS 21 21 21 LYS LYS AA . n 
A 1 22 LYS 22 22 22 LYS LYS AA . n 
A 1 23 VAL 23 23 23 VAL VAL AA . n 
A 1 24 TRP 24 24 24 TRP TRP AA . n 
A 1 25 ARG 25 25 25 ARG ARG AA . n 
A 1 26 ALA 26 26 26 ALA ALA AA . n 
A 1 27 GLY 27 27 27 GLY GLY AA . n 
A 1 28 LYS 28 28 28 LYS LYS AA . n 
A 1 29 ALA 29 29 29 ALA ALA AA . n 
A 1 30 VAL 30 30 30 VAL VAL AA . n 
A 1 31 SER 31 31 31 SER SER AA . n 
A 1 32 PHE 32 32 32 PHE PHE AA . n 
A 1 33 THR 33 33 33 THR THR AA . n 
A 1 34 TYR 34 34 34 TYR TYR AA . n 
A 1 35 ASP 35 35 35 ASP ASP AA . n 
A 1 36 ASP 36 36 36 ASP ASP AA . n 
A 1 37 ASN 37 37 37 ASN ASN AA . n 
A 1 38 GLY 38 38 38 GLY GLY AA . n 
A 1 39 LYS 39 39 39 LYS LYS AA . n 
A 1 40 THR 40 40 40 THR THR AA . n 
A 1 41 GLY 41 41 41 GLY GLY AA . n 
A 1 42 ARG 42 42 42 ARG ARG AA . n 
A 1 43 GLY 43 43 43 GLY GLY AA . n 
A 1 44 ALA 44 44 44 ALA ALA AA . n 
A 1 45 VAL 45 45 45 VAL VAL AA . n 
A 1 46 SER 46 46 46 SER SER AA . n 
A 1 47 GLU 47 47 47 GLU GLU AA . n 
A 1 48 LYS 48 48 48 LYS LYS AA . n 
A 1 49 ASP 49 49 49 ASP ASP AA . n 
A 1 50 ALA 50 50 50 ALA ALA AA . n 
A 1 51 PRO 51 51 51 PRO PRO AA . n 
A 1 52 LYS 52 52 52 LYS LYS AA . n 
A 1 53 GLU 53 53 53 GLU GLU AA . n 
A 1 54 LEU 54 54 54 LEU LEU AA . n 
A 1 55 LEU 55 55 55 LEU LEU AA . n 
A 1 56 ASP 56 56 56 ASP ASP AA . n 
A 1 57 MET 57 57 57 MET MET AA . n 
A 1 58 LEU 58 58 58 LEU LEU AA . n 
A 1 59 ALA 59 59 59 ALA ALA AA . n 
A 1 60 ARG 60 60 60 ARG ARG AA . n 
A 1 61 ALA 61 61 61 ALA ALA AA . n 
A 1 62 GLU 62 62 62 GLU GLU AA . n 
A 1 63 ARG 63 63 63 ARG ARG AA . n 
A 1 64 GLU 64 64 ?  ?   ?   AA . n 
A 1 65 LYS 65 65 ?  ?   ?   AA . n 
A 1 66 LYS 66 66 ?  ?   ?   AA . n 
B 2 1  DBU 1  1  1  DBU XUW B  . n 
B 2 2  V4F 2  2  1  V4F XUW B  . n 
B 2 3  V53 3  3  1  V53 XUW B  . n 
B 2 4  V4F 4  4  1  V4F XUW B  . n 
B 2 5  V53 5  5  1  V53 XUW B  . n 
B 2 6  V5F 6  6  1  V5F XUW B  . n 
B 2 7  V4F 7  7  1  V4F XUW B  . n 
B 2 8  V53 8  8  1  V53 XUW B  . n 
B 2 9  V4F 9  9  1  V4F XUW B  . n 
B 2 10 V53 10 10 1  V53 XUW B  . n 
C 3 1  DBB 1  1  1  DBB XUW C  . n 
C 3 2  V4F 2  2  1  V4F XUW C  . n 
C 3 3  V53 3  3  1  V53 XUW C  . n 
C 3 4  V4F 4  4  1  V4F XUW C  . n 
C 3 5  V53 5  5  1  V53 XUW C  . n 
C 3 6  V5F 6  6  1  V5F XUW C  . n 
C 3 7  V4F 7  7  1  V4F XUW C  . n 
C 3 8  V53 8  8  1  V53 XUW C  . n 
C 3 9  V4F 9  9  1  V4F XUW C  . n 
C 3 10 V53 10 10 1  V53 XUW C  . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
2 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
3 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
4 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
5 V5F ? ? V5F ? ? 'SUBJECT OF INVESTIGATION' ? 
6 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
7 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
8 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
9 DBU ? ? DBU ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 AA LYS 3  ? CG  ? A LYS 3  CG  
2  1 Y 1 AA LYS 3  ? CD  ? A LYS 3  CD  
3  1 Y 1 AA LYS 3  ? CE  ? A LYS 3  CE  
4  1 Y 1 AA LYS 3  ? NZ  ? A LYS 3  NZ  
5  1 Y 1 AA LYS 5  ? CG  ? A LYS 5  CG  
6  1 Y 1 AA LYS 5  ? CD  ? A LYS 5  CD  
7  1 Y 1 AA LYS 5  ? CE  ? A LYS 5  CE  
8  1 Y 1 AA LYS 5  ? NZ  ? A LYS 5  NZ  
9  1 Y 1 AA LYS 9  ? CG  ? A LYS 9  CG  
10 1 Y 1 AA LYS 9  ? CD  ? A LYS 9  CD  
11 1 Y 1 AA LYS 9  ? CE  ? A LYS 9  CE  
12 1 Y 1 AA LYS 9  ? NZ  ? A LYS 9  NZ  
13 1 Y 1 AA ASP 16 ? CG  ? A ASP 16 CG  
14 1 Y 1 AA ASP 16 ? OD1 ? A ASP 16 OD1 
15 1 Y 1 AA ASP 16 ? OD2 ? A ASP 16 OD2 
16 1 Y 1 AA LYS 28 ? CG  ? A LYS 28 CG  
17 1 Y 1 AA LYS 28 ? CD  ? A LYS 28 CD  
18 1 Y 1 AA LYS 28 ? CE  ? A LYS 28 CE  
19 1 Y 1 AA LYS 28 ? NZ  ? A LYS 28 NZ  
20 1 Y 1 AA LYS 39 ? CG  ? A LYS 39 CG  
21 1 Y 1 AA LYS 39 ? CD  ? A LYS 39 CD  
22 1 Y 1 AA LYS 39 ? CE  ? A LYS 39 CE  
23 1 Y 1 AA LYS 39 ? NZ  ? A LYS 39 NZ  
24 1 Y 1 AA THR 40 ? OG1 ? A THR 40 OG1 
25 1 Y 1 AA THR 40 ? CG2 ? A THR 40 CG2 
26 1 Y 1 AA LYS 48 ? CG  ? A LYS 48 CG  
27 1 Y 1 AA LYS 48 ? CD  ? A LYS 48 CD  
28 1 Y 1 AA LYS 48 ? CE  ? A LYS 48 CE  
29 1 Y 1 AA LYS 48 ? NZ  ? A LYS 48 NZ  
30 1 Y 1 AA MET 57 ? CG  ? A MET 57 CG  
31 1 Y 1 AA MET 57 ? SD  ? A MET 57 SD  
32 1 Y 1 AA MET 57 ? CE  ? A MET 57 CE  
33 1 Y 1 AA ARG 60 ? CG  ? A ARG 60 CG  
34 1 Y 1 AA ARG 60 ? CD  ? A ARG 60 CD  
35 1 Y 1 AA ARG 60 ? NE  ? A ARG 60 NE  
36 1 Y 1 AA ARG 60 ? CZ  ? A ARG 60 CZ  
37 1 Y 1 AA ARG 60 ? NH1 ? A ARG 60 NH1 
38 1 Y 1 AA ARG 60 ? NH2 ? A ARG 60 NH2 
# 
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   ? ? ? 1.20.1_4487 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless  ? ? ? .           4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           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                     8QPC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.907 
_cell.length_a_esd                 ? 
_cell.length_b                     70.907 
_cell.length_b_esd                 ? 
_cell.length_c                     121.997 
_cell.length_c_esd                 ? 
_cell.volume                       531199.925 
_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             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8QPC 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                181 
_symmetry.space_group_name_Hall            'P 64 2 (x,y,z+1/6)' 
_symmetry.space_group_name_H-M             'P 64 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                   8QPC 
_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             5.87 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          79.05 
_exptl_crystal.description                  'Diamond shape' 
_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.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '10 % PEG 400, 0.1 M MES pH 6.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_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.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 S 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-04-14 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    '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   0.8731 
_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                        'ESRF BEAMLINE ID30B' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8731 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID30B 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          91.24 
_reflns.entry_id                                       8QPC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              3.24 
_reflns.d_resolution_low                               61.41 
_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                                     2973 
_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                           89.51 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                17.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.81 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    3.241 
_reflns_shell.d_res_low                                     3.356 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.96 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             244 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_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_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.938 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          81.27 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_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                                ? 
_refine.B_iso_mean                               123.77 
_refine.B_iso_min                                ? 
_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                                 8QPC 
_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                            3.24 
_refine.ls_d_res_low                             61.41 
_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                     2879 
_refine.ls_number_reflns_R_free                  139 
_refine.ls_number_reflns_R_work                  2740 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    89.38 
_refine.ls_percent_reflns_R_free                 4.83 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.3362 
_refine.ls_R_factor_R_free                       0.3481 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.3356 
_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.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_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          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1000 
_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                 38.6870 
_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                            0.0849 
_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.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       3.24 
_refine_hist.d_res_low                        61.41 
_refine_hist.number_atoms_solvent             0 
_refine_hist.number_atoms_total               812 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        462 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         350 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.0277  ? 846  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 3.8065  ? 1198 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.2847  ? 88   ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0210  ? 120  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 16.3208 ? 181  ? f_dihedral_angle_d ? ? 
# 
_refine_ls_restr_ncs.pdbx_ordinal        1 
_refine_ls_restr_ncs.pdbx_refine_id      'X-RAY DIFFRACTION' 
_refine_ls_restr_ncs.dom_id              d_2 
_refine_ls_restr_ncs.pdbx_ens_id         ens_1 
_refine_ls_restr_ncs.rms_dev_position    0.75222926084 
_refine_ls_restr_ncs.weight_position     ? 
_refine_ls_restr_ncs.rms_dev_B_iso       ? 
_refine_ls_restr_ncs.weight_B_iso        ? 
_refine_ls_restr_ncs.pdbx_type           'Torsion NCS' 
_refine_ls_restr_ncs.pdbx_asym_id        B 
_refine_ls_restr_ncs.pdbx_auth_asym_id   B 
_refine_ls_restr_ncs.pdbx_number         ? 
_refine_ls_restr_ncs.pdbx_rms            ? 
_refine_ls_restr_ncs.pdbx_weight         ? 
_refine_ls_restr_ncs.ncs_model_details   ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       3.24 
_refine_ls_shell.d_res_low                        61.41 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             139 
_refine_ls_shell.number_reflns_R_work             2740 
_refine_ls_shell.percent_reflns_obs               89.38 
_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_error            ? 
_refine_ls_shell.R_factor_R_work                  0.3356 
_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_R_complete                  ? 
_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                    ? 
_refine_ls_shell.R_factor_R_free                  0.3481 
# 
_struct_ncs_oper.id             1 
_struct_ncs_oper.code           given 
_struct_ncs_oper.matrix[1][1]   -0.714214186265 
_struct_ncs_oper.matrix[1][2]   0.415209854254 
_struct_ncs_oper.matrix[1][3]   0.563470383488 
_struct_ncs_oper.matrix[2][1]   0.43441282378 
_struct_ncs_oper.matrix[2][2]   -0.36825835054 
_struct_ncs_oper.matrix[2][3]   0.821992266261 
_struct_ncs_oper.matrix[3][1]   0.548801963074 
_struct_ncs_oper.matrix[3][2]   0.831857297971 
_struct_ncs_oper.matrix[3][3]   0.0826428529187 
_struct_ncs_oper.vector[1]      6.38180757637 
_struct_ncs_oper.vector[2]      -49.5668002147 
_struct_ncs_oper.vector[3]      33.2015651841 
_struct_ncs_oper.details        ? 
# 
loop_
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.id 
_struct_ncs_dom.details 
ens_1 d_1 
;chain "B"
;
ens_1 d_2 
;chain "C"
;
# 
_struct_ncs_ens.id        ens_1 
_struct_ncs_ens.details   ? 
# 
_struct_ncs_ens_gen.ens_id     ens_1 
_struct_ncs_ens_gen.dom_id_1   d_2 
_struct_ncs_ens_gen.dom_id_2   d_1 
_struct_ncs_ens_gen.oper_id    1 
# 
_struct.entry_id                     8QPC 
_struct.title                        '18mer DNA mimic Foldamer with an Aromatic linker in complex with Sac7d V26A/M29A protein' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8QPC 
_struct_keywords.text            'Foldamer, DNA mimic foldamer, DNA mimicry, Sac7d, DNA BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP DN7D_SULAC P13123 ? 1 MVKVKFKYKGEEKEVDTSKIKKVWRVGKMVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK 1 
2 PDB 8QPC       8QPC   ? 2 ?                                                                  1 
3 PDB 8QPC       8QPC   ? 3 ?                                                                  1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8QPC AA 1 ? 66 ? P13123 1 ? 66 ? 1 66 
2 2 8QPC B  1 ? 10 ? 8QPC   1 ? 10 ? 1 10 
3 3 8QPC C  1 ? 10 ? 8QPC   1 ? 10 ? 1 10 
# 
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 8QPC ALA AA 26 ? UNP P13123 VAL 26 'engineered mutation' 26 1 
1 8QPC ALA AA 29 ? UNP P13123 MET 29 'engineered mutation' 29 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'surface plasmon resonance' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       PRO 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        51 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       GLU 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        62 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        PRO 
_struct_conf.beg_auth_asym_id        AA 
_struct_conf.beg_auth_seq_id         51 
_struct_conf.end_auth_comp_id        GLU 
_struct_conf.end_auth_asym_id        AA 
_struct_conf.end_auth_seq_id         62 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   12 
# 
_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 
covale1  covale both ? B DBU 1 C ? ? ? 1_555 B V4F 2  N ? ? B DBU 1 B V4F 2  1_555 ? ? ? ? ? ? ? 1.297 ? ? 
covale2  covale both ? B V4F 2 C ? ? ? 1_555 B V53 3  N ? ? B V4F 2 B V53 3  1_555 ? ? ? ? ? ? ? 1.406 ? ? 
covale3  covale both ? B V53 3 C ? ? ? 1_555 B V4F 4  N ? ? B V53 3 B V4F 4  1_555 ? ? ? ? ? ? ? 1.370 ? ? 
covale4  covale both ? B V4F 4 C ? ? ? 1_555 B V53 5  N ? ? B V4F 4 B V53 5  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale5  covale both ? B V53 5 C ? ? ? 1_555 B V5F 6  N ? ? B V53 5 B V5F 6  1_555 ? ? ? ? ? ? ? 1.362 ? ? 
covale6  covale both ? B V5F 6 C ? ? ? 1_555 B V4F 7  N ? ? B V5F 6 B V4F 7  1_555 ? ? ? ? ? ? ? 1.345 ? ? 
covale7  covale both ? B V4F 7 C ? ? ? 1_555 B V53 8  N ? ? B V4F 7 B V53 8  1_555 ? ? ? ? ? ? ? 1.363 ? ? 
covale8  covale both ? B V53 8 C ? ? ? 1_555 B V4F 9  N ? ? B V53 8 B V4F 9  1_555 ? ? ? ? ? ? ? 1.371 ? ? 
covale9  covale both ? B V4F 9 C ? ? ? 1_555 B V53 10 N ? ? B V4F 9 B V53 10 1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale10 covale both ? C DBB 1 C ? ? ? 1_555 C V4F 2  N ? ? C DBB 1 C V4F 2  1_555 ? ? ? ? ? ? ? 1.320 ? ? 
covale11 covale both ? C V4F 2 C ? ? ? 1_555 C V53 3  N ? ? C V4F 2 C V53 3  1_555 ? ? ? ? ? ? ? 1.367 ? ? 
covale12 covale both ? C V53 3 C ? ? ? 1_555 C V4F 4  N ? ? C V53 3 C V4F 4  1_555 ? ? ? ? ? ? ? 1.383 ? ? 
covale13 covale both ? C V4F 4 C ? ? ? 1_555 C V53 5  N ? ? C V4F 4 C V53 5  1_555 ? ? ? ? ? ? ? 1.340 ? ? 
covale14 covale both ? C V53 5 C ? ? ? 1_555 C V5F 6  N ? ? C V53 5 C V5F 6  1_555 ? ? ? ? ? ? ? 1.387 ? ? 
covale15 covale both ? C V5F 6 C ? ? ? 1_555 C V4F 7  N ? ? C V5F 6 C V4F 7  1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale16 covale both ? C V4F 7 C ? ? ? 1_555 C V53 8  N ? ? C V4F 7 C V53 8  1_555 ? ? ? ? ? ? ? 1.360 ? ? 
covale17 covale both ? C V53 8 C ? ? ? 1_555 C V4F 9  N ? ? C V53 8 C V4F 9  1_555 ? ? ? ? ? ? ? 1.357 ? ? 
covale18 covale both ? C V4F 9 C ? ? ? 1_555 C V53 10 N ? ? C V4F 9 C V53 10 1_555 ? ? ? ? ? ? ? 1.344 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1  DBU B 1  ? . . . . DBU B 1  ? 1_555 . . . . . . . THR 1 DBU 'Dehydroamino acid' 'Named protein modification' 
2  V4F B 2  ? . . . . V4F B 2  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
3  V53 B 3  ? . . . . V53 B 3  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
4  V4F B 4  ? . . . . V4F B 4  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
5  V53 B 5  ? . . . . V53 B 5  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
6  V5F B 6  ? . . . . V5F B 6  ? 1_555 . . . . . . . ?   1 V5F None                'Non-standard residue'       
7  V4F B 7  ? . . . . V4F B 7  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
8  V53 B 8  ? . . . . V53 B 8  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
9  V4F B 9  ? . . . . V4F B 9  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
10 V53 B 10 ? . . . . V53 B 10 ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
11 DBB C 1  ? . . . . DBB C 1  ? 1_555 . . . . . . . ?   1 DBB None                'Non-standard residue'       
12 V4F C 2  ? . . . . V4F C 2  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
13 V53 C 3  ? . . . . V53 C 3  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
14 V4F C 4  ? . . . . V4F C 4  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
15 V53 C 5  ? . . . . V53 C 5  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
16 V5F C 6  ? . . . . V5F C 6  ? 1_555 . . . . . . . ?   1 V5F None                'Non-standard residue'       
17 V4F C 7  ? . . . . V4F C 7  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
18 V53 C 8  ? . . . . V53 C 8  ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
19 V4F C 9  ? . . . . V4F C 9  ? 1_555 . . . . . . . ?   1 V4F None                'Non-standard residue'       
20 V53 C 10 ? . . . . V53 C 10 ? 1_555 . . . . . . . ?   1 V53 None                'Non-standard residue'       
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1  DBU 1 B . ? DBU 1 B V4F 2  B ? V4F 2  B 1 -26.82 
2  V4F 2 B . ? V4F 2 B V53 3  B ? V53 3  B 1 -20.25 
3  V53 3 B . ? V53 3 B V4F 4  B ? V4F 4  B 1 -29.61 
4  V4F 4 B . ? V4F 4 B V53 5  B ? V53 5  B 1 -24.48 
5  V53 5 B . ? V53 5 B V5F 6  B ? V5F 6  B 1 -22.18 
6  V4F 7 B . ? V4F 7 B V53 8  B ? V53 8  B 1 -29.96 
7  V53 8 B . ? V53 8 B V4F 9  B ? V4F 9  B 1 -12.83 
8  V4F 9 B . ? V4F 9 B V53 10 B ? V53 10 B 1 -20.60 
9  DBB 1 C . ? DBB 1 C V4F 2  C ? V4F 2  C 1 -29.44 
10 V4F 2 C . ? V4F 2 C V53 3  C ? V53 3  C 1 -3.27  
11 V53 3 C . ? V53 3 C V4F 4  C ? V4F 4  C 1 -28.10 
12 V53 5 C . ? V53 5 C V5F 6  C ? V5F 6  C 1 -24.72 
13 V53 8 C . ? V53 8 C V4F 9  C ? V4F 9  C 1 -23.89 
14 V4F 9 C . ? V4F 9 C V53 10 C ? V53 10 C 1 -22.42 
# 
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 ? anti-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 LYS A 3  ? TYR A 8  ? LYS AA 3  TYR AA 8  
AA1 2 GLU A 11 ? ASP A 16 ? GLU AA 11 ASP AA 16 
AA2 1 ILE A 20 ? ALA A 26 ? ILE AA 20 ALA AA 26 
AA2 2 ALA A 29 ? ASP A 36 ? ALA AA 29 ASP AA 36 
AA2 3 LYS A 39 ? SER A 46 ? LYS AA 39 SER AA 46 
# 
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 TYR A 8  ? N TYR AA 8  O GLU A 11 ? O GLU AA 11 
AA2 1 2 N LYS A 21 ? N LYS AA 21 O THR A 33 ? O THR AA 33 
AA2 2 3 N VAL A 30 ? N VAL AA 30 O VAL A 45 ? O VAL AA 45 
# 
_pdbx_entry_details.entry_id                   8QPC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 CB C DBB 1 ? ? 1_555 CG C DBB 1 ? ? 7_555 1.22 
2 1 N  C DBB 1 ? ? 1_555 CA C DBB 1 ? ? 7_555 1.52 
3 1 N  B DBU 1 ? ? 1_555 CA B DBU 1 ? ? 4_545 1.52 
4 1 CB B DBU 1 ? ? 1_555 CG B DBU 1 ? ? 4_545 1.60 
5 1 CA C DBB 1 ? ? 1_555 CA C DBB 1 ? ? 7_555 1.92 
6 1 CA C DBB 1 ? ? 1_555 CG C DBB 1 ? ? 7_555 2.16 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1  1 CA B V4F 2 ? ? C B V4F 2 ? ? N B V53 3  ? ? 65.82 117.20 -51.38 2.20 Y 
2  1 CA B V53 3 ? ? C B V53 3 ? ? N B V4F 4  ? ? 83.26 117.20 -33.94 2.20 Y 
3  1 CA B V4F 4 ? ? C B V4F 4 ? ? N B V53 5  ? ? 69.11 117.20 -48.09 2.20 Y 
4  1 CA B V53 5 ? ? C B V53 5 ? ? N B V5F 6  ? ? 83.48 117.20 -33.72 2.20 Y 
5  1 CA B V5F 6 ? ? C B V5F 6 ? ? N B V4F 7  ? ? 88.37 117.20 -28.83 2.20 Y 
6  1 CA B V4F 7 ? ? C B V4F 7 ? ? N B V53 8  ? ? 64.93 117.20 -52.27 2.20 Y 
7  1 CA B V53 8 ? ? C B V53 8 ? ? N B V4F 9  ? ? 86.34 117.20 -30.86 2.20 Y 
8  1 CA B V4F 9 ? ? C B V4F 9 ? ? N B V53 10 ? ? 69.89 117.20 -47.31 2.20 Y 
9  1 CA C V4F 2 ? ? C C V4F 2 ? ? N C V53 3  ? ? 72.67 117.20 -44.53 2.20 Y 
10 1 CA C V53 3 ? ? C C V53 3 ? ? N C V4F 4  ? ? 80.27 117.20 -36.93 2.20 Y 
11 1 CA C V4F 4 ? ? C C V4F 4 ? ? N C V53 5  ? ? 66.98 117.20 -50.22 2.20 Y 
12 1 CA C V53 5 ? ? C C V53 5 ? ? N C V5F 6  ? ? 82.87 117.20 -34.33 2.20 Y 
13 1 CA C V5F 6 ? ? C C V5F 6 ? ? N C V4F 7  ? ? 82.51 117.20 -34.69 2.20 Y 
14 1 CA C V4F 7 ? ? C C V4F 7 ? ? N C V53 8  ? ? 62.41 117.20 -54.79 2.20 Y 
15 1 CA C V53 8 ? ? C C V53 8 ? ? N C V4F 9  ? ? 80.52 117.20 -36.68 2.20 Y 
16 1 CA C V4F 9 ? ? C C V4F 9 ? ? N C V53 10 ? ? 68.05 117.20 -49.15 2.20 Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS AA 21 ? ? -116.18 -76.05  
2 1 ASN AA 37 ? ? 38.21   -117.53 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1 1 V4F B 2 ? ? -10.03 
2 1 V4F C 2 ? ? -10.30 
# 
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 B DBU 1 ? B DBU 1 
2 1 B DBU 1 ? B DBU 1 
3 1 C DBB 1 ? C DBB 1 
4 1 C DBB 1 ? C DBB 1 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z          
2  x-y,x,z+2/3    
3  y,-x+y,z+1/3   
4  -y,x-y,z+1/3   
5  -x+y,-x,z+2/3  
6  x-y,-y,-z      
7  -x,-x+y,-z+2/3 
8  -x,-y,z        
9  y,x,-z+1/3     
10 -y,-x,-z+1/3   
11 -x+y,y,-z      
12 x,x-y,-z+2/3   
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -5.99648755697 -20.950094469  3.2429973661  0.265117889473 ? 0.560460771369  ? 0.61842356108   ? 
2.23948649354  ? -1.07433907504  ? 1.06396558219 ? 0.426692234259 ? -0.183161309995 ? -0.12789071145 ? 1.58105310599  ? 
0.373672500819 ? 0.111640220515 ? 0.21137195041    ? 0.63348225937 ? 0.0638506491487 ? 0.365932275456  ? 0.175763959043 ? 
0.03030587362 ? -0.181527822517 ? -0.423912578466 ? 0.405002222952 ? 
2 'X-RAY DIFFRACTION' ? refined -11.1703507601 -17.4922646255 6.82340166847 0.116270166225 ? -0.20467907913  ? -0.409702228446 ? 
0.957311684025 ? 0.52225996157   ? 1.69584567022 ? 1.10632217323  ? 0.421914502494  ? 1.19852796926  ? 3.20107002993  ? 
-1.25708006072 ? 2.1505509067   ? -0.421365109089  ? 1.2313532183  ? 0.156229053408  ? 0.590761217208  ? 1.10721422265  ? 
1.6713842152  ? -0.689125995534 ? -0.121579824484 ? 1.21308898705  ? 
3 'X-RAY DIFFRACTION' ? refined -6.78920688884 -6.4371536068  5.37856848064 0.86688455408  ? -0.116980419454 ? 0.674084482377  ? 
0.990772595716 ? 0.0598808603633 ? 1.52863108341 ? 1.48483619589  ? -0.59147415464  ? 2.39601574365  ? 0.973969041116 ? 
-1.28915397088 ? 4.07040713516  ? -0.0043607708444 ? 0.7161842109  ? 0.852404527993  ? -0.842386615864 ? 1.85770796454  ? 
1.46202885368 ? 0.0841420138912 ? 1.04248998585   ? 1.61965559676  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1  AA 1  ? A 10 AA 10 ? ? 
;chain 'AA' and (resid 1 through 10 )
;
2 'X-RAY DIFFRACTION' 2 A 11 AA 11 ? A 46 AA 46 ? ? 
;chain 'AA' and (resid 11 through 46 )
;
3 'X-RAY DIFFRACTION' 3 A 47 AA 47 ? A 63 AA 63 ? ? 
;chain 'AA' and (resid 47 through 63 )
;
# 
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 AA GLU 64 ? A GLU 64 
2 1 Y 1 AA LYS 65 ? A LYS 65 
3 1 Y 1 AA LYS 66 ? A LYS 66 
# 
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  
DBB N    N N N 74  
DBB CA   C N R 75  
DBB C    C N N 76  
DBB O    O N N 77  
DBB CB   C N N 78  
DBB CG   C N N 79  
DBB OXT  O N N 80  
DBB H    H N N 81  
DBB H2   H N N 82  
DBB HA   H N N 83  
DBB HB2  H N N 84  
DBB HB3  H N N 85  
DBB HG1  H N N 86  
DBB HG2  H N N 87  
DBB HG3  H N N 88  
DBB HXT  H N N 89  
DBU N    N N N 90  
DBU CA   C N N 91  
DBU CB   C N N 92  
DBU CG   C N N 93  
DBU C    C N N 94  
DBU O    O N N 95  
DBU OXT  O N N 96  
DBU H    H N N 97  
DBU H2   H N N 98  
DBU HB   H N N 99  
DBU HG1  H N N 100 
DBU HG2  H N N 101 
DBU HG3  H N N 102 
DBU HXT  H N N 103 
GLU N    N N N 104 
GLU CA   C N S 105 
GLU C    C N N 106 
GLU O    O N N 107 
GLU CB   C N N 108 
GLU CG   C N N 109 
GLU CD   C N N 110 
GLU OE1  O N N 111 
GLU OE2  O N N 112 
GLU OXT  O N N 113 
GLU H    H N N 114 
GLU H2   H N N 115 
GLU HA   H N N 116 
GLU HB2  H N N 117 
GLU HB3  H N N 118 
GLU HG2  H N N 119 
GLU HG3  H N N 120 
GLU HE2  H N N 121 
GLU HXT  H N N 122 
GLY N    N N N 123 
GLY CA   C N N 124 
GLY C    C N N 125 
GLY O    O N N 126 
GLY OXT  O N N 127 
GLY H    H N N 128 
GLY H2   H N N 129 
GLY HA2  H N N 130 
GLY HA3  H N N 131 
GLY HXT  H N N 132 
ILE N    N N N 133 
ILE CA   C N S 134 
ILE C    C N N 135 
ILE O    O N N 136 
ILE CB   C N S 137 
ILE CG1  C N N 138 
ILE CG2  C N N 139 
ILE CD1  C N N 140 
ILE OXT  O N N 141 
ILE H    H N N 142 
ILE H2   H N N 143 
ILE HA   H N N 144 
ILE HB   H N N 145 
ILE HG12 H N N 146 
ILE HG13 H N N 147 
ILE HG21 H N N 148 
ILE HG22 H N N 149 
ILE HG23 H N N 150 
ILE HD11 H N N 151 
ILE HD12 H N N 152 
ILE HD13 H N N 153 
ILE HXT  H N N 154 
LEU N    N N N 155 
LEU CA   C N S 156 
LEU C    C N N 157 
LEU O    O N N 158 
LEU CB   C N N 159 
LEU CG   C N N 160 
LEU CD1  C N N 161 
LEU CD2  C N N 162 
LEU OXT  O N N 163 
LEU H    H N N 164 
LEU H2   H N N 165 
LEU HA   H N N 166 
LEU HB2  H N N 167 
LEU HB3  H N N 168 
LEU HG   H N N 169 
LEU HD11 H N N 170 
LEU HD12 H N N 171 
LEU HD13 H N N 172 
LEU HD21 H N N 173 
LEU HD22 H N N 174 
LEU HD23 H N N 175 
LEU HXT  H N N 176 
LYS N    N N N 177 
LYS CA   C N S 178 
LYS C    C N N 179 
LYS O    O N N 180 
LYS CB   C N N 181 
LYS CG   C N N 182 
LYS CD   C N N 183 
LYS CE   C N N 184 
LYS NZ   N N N 185 
LYS OXT  O N N 186 
LYS H    H N N 187 
LYS H2   H N N 188 
LYS HA   H N N 189 
LYS HB2  H N N 190 
LYS HB3  H N N 191 
LYS HG2  H N N 192 
LYS HG3  H N N 193 
LYS HD2  H N N 194 
LYS HD3  H N N 195 
LYS HE2  H N N 196 
LYS HE3  H N N 197 
LYS HZ1  H N N 198 
LYS HZ2  H N N 199 
LYS HZ3  H N N 200 
LYS HXT  H N N 201 
MET N    N N N 202 
MET CA   C N S 203 
MET C    C N N 204 
MET O    O N N 205 
MET CB   C N N 206 
MET CG   C N N 207 
MET SD   S N N 208 
MET CE   C N N 209 
MET OXT  O N N 210 
MET H    H N N 211 
MET H2   H N N 212 
MET HA   H N N 213 
MET HB2  H N N 214 
MET HB3  H N N 215 
MET HG2  H N N 216 
MET HG3  H N N 217 
MET HE1  H N N 218 
MET HE2  H N N 219 
MET HE3  H N N 220 
MET HXT  H N N 221 
PHE N    N N N 222 
PHE CA   C N S 223 
PHE C    C N N 224 
PHE O    O N N 225 
PHE CB   C N N 226 
PHE CG   C Y N 227 
PHE CD1  C Y N 228 
PHE CD2  C Y N 229 
PHE CE1  C Y N 230 
PHE CE2  C Y N 231 
PHE CZ   C Y N 232 
PHE OXT  O N N 233 
PHE H    H N N 234 
PHE H2   H N N 235 
PHE HA   H N N 236 
PHE HB2  H N N 237 
PHE HB3  H N N 238 
PHE HD1  H N N 239 
PHE HD2  H N N 240 
PHE HE1  H N N 241 
PHE HE2  H N N 242 
PHE HZ   H N N 243 
PHE HXT  H N N 244 
PRO N    N N N 245 
PRO CA   C N S 246 
PRO C    C N N 247 
PRO O    O N N 248 
PRO CB   C N N 249 
PRO CG   C N N 250 
PRO CD   C N N 251 
PRO OXT  O N N 252 
PRO H    H N N 253 
PRO HA   H N N 254 
PRO HB2  H N N 255 
PRO HB3  H N N 256 
PRO HG2  H N N 257 
PRO HG3  H N N 258 
PRO HD2  H N N 259 
PRO HD3  H N N 260 
PRO HXT  H N N 261 
SER N    N N N 262 
SER CA   C N S 263 
SER C    C N N 264 
SER O    O N N 265 
SER CB   C N N 266 
SER OG   O N N 267 
SER OXT  O N N 268 
SER H    H N N 269 
SER H2   H N N 270 
SER HA   H N N 271 
SER HB2  H N N 272 
SER HB3  H N N 273 
SER HG   H N N 274 
SER HXT  H N N 275 
THR N    N N N 276 
THR CA   C N S 277 
THR C    C N N 278 
THR O    O N N 279 
THR CB   C N R 280 
THR OG1  O N N 281 
THR CG2  C N N 282 
THR OXT  O N N 283 
THR H    H N N 284 
THR H2   H N N 285 
THR HA   H N N 286 
THR HB   H N N 287 
THR HG1  H N N 288 
THR HG21 H N N 289 
THR HG22 H N N 290 
THR HG23 H N N 291 
THR HXT  H N N 292 
TRP N    N N N 293 
TRP CA   C N S 294 
TRP C    C N N 295 
TRP O    O N N 296 
TRP CB   C N N 297 
TRP CG   C Y N 298 
TRP CD1  C Y N 299 
TRP CD2  C Y N 300 
TRP NE1  N Y N 301 
TRP CE2  C Y N 302 
TRP CE3  C Y N 303 
TRP CZ2  C Y N 304 
TRP CZ3  C Y N 305 
TRP CH2  C Y N 306 
TRP OXT  O N N 307 
TRP H    H N N 308 
TRP H2   H N N 309 
TRP HA   H N N 310 
TRP HB2  H N N 311 
TRP HB3  H N N 312 
TRP HD1  H N N 313 
TRP HE1  H N N 314 
TRP HE3  H N N 315 
TRP HZ2  H N N 316 
TRP HZ3  H N N 317 
TRP HH2  H N N 318 
TRP HXT  H N N 319 
TYR N    N N N 320 
TYR CA   C N S 321 
TYR C    C N N 322 
TYR O    O N N 323 
TYR CB   C N N 324 
TYR CG   C Y N 325 
TYR CD1  C Y N 326 
TYR CD2  C Y N 327 
TYR CE1  C Y N 328 
TYR CE2  C Y N 329 
TYR CZ   C Y N 330 
TYR OH   O N N 331 
TYR OXT  O N N 332 
TYR H    H N N 333 
TYR H2   H N N 334 
TYR HA   H N N 335 
TYR HB2  H N N 336 
TYR HB3  H N N 337 
TYR HD1  H N N 338 
TYR HD2  H N N 339 
TYR HE1  H N N 340 
TYR HE2  H N N 341 
TYR HH   H N N 342 
TYR HXT  H N N 343 
V4F C    C N N 344 
V4F CAF  C Y N 345 
V4F CAD  C Y N 346 
V4F CAE  C Y N 347 
V4F CAL  C Y N 348 
V4F CAM  C Y N 349 
V4F CAJ  C Y N 350 
V4F CAK  C Y N 351 
V4F CAG  C Y N 352 
V4F CAI  C Y N 353 
V4F C01  C N N 354 
V4F CA   C N N 355 
V4F NAH  N Y N 356 
V4F N    N N N 357 
V4F O    O N N 358 
V4F O01  O N N 359 
V4F O3   O N N 360 
V4F O2   O N N 361 
V4F O1   O N N 362 
V4F P    P N N 363 
V4F HAD  H N N 364 
V4F HAK  H N N 365 
V4F HAG  H N N 366 
V4F HAI  H N N 367 
V4F H3   H N N 368 
V4F HA1  H N N 369 
V4F HA2  H N N 370 
V4F H    H N N 371 
V4F H2   H N N 372 
V4F HPO3 H N N 373 
V4F HPO2 H N N 374 
V4F OXT  O N N 375 
V4F H1   H N N 376 
V4F HXT  H N N 377 
V53 C    C N N 378 
V53 CAF  C Y N 379 
V53 CAD  C Y N 380 
V53 CAJ  C Y N 381 
V53 CAL  C Y N 382 
V53 CAM  C Y N 383 
V53 CA   C Y N 384 
V53 CAK  C Y N 385 
V53 CAG  C Y N 386 
V53 CAI  C Y N 387 
V53 C01  C N N 388 
V53 NAH  N Y N 389 
V53 N    N N N 390 
V53 O    O N N 391 
V53 O01  O N N 392 
V53 O1   O N N 393 
V53 O2   O N N 394 
V53 O3   O N N 395 
V53 P    P N N 396 
V53 HAK  H N N 397 
V53 HAG  H N N 398 
V53 HAI  H N N 399 
V53 H    H N N 400 
V53 H2   H N N 401 
V53 OXT  O N N 402 
V53 HXT  H N N 403 
V53 HAD  H N N 404 
V53 HPO2 H N N 405 
V53 HPO3 H N N 406 
V53 H1   H N N 407 
V53 H3   H N N 408 
V5F C    C N N 409 
V5F C6   C N R 410 
V5F C2   C Y N 411 
V5F C1   C Y N 412 
V5F CA   C Y N 413 
V5F C5   C Y N 414 
V5F C4   C Y N 415 
V5F C3   C Y N 416 
V5F CB   C N N 417 
V5F N    N N N 418 
V5F O    O N N 419 
V5F O1   O N N 420 
V5F H6   H N N 421 
V5F H5   H N N 422 
V5F H4   H N N 423 
V5F H1   H N N 424 
V5F H3   H N N 425 
V5F HB1  H N N 426 
V5F HB2  H N N 427 
V5F HB3  H N N 428 
V5F H    H N N 429 
V5F OXT  O N N 430 
V5F HXT  H N N 431 
V5F H2   H N N 432 
VAL N    N N N 433 
VAL CA   C N S 434 
VAL C    C N N 435 
VAL O    O N N 436 
VAL CB   C N N 437 
VAL CG1  C N N 438 
VAL CG2  C N N 439 
VAL OXT  O N N 440 
VAL H    H N N 441 
VAL H2   H N N 442 
VAL HA   H N N 443 
VAL HB   H N N 444 
VAL HG11 H N N 445 
VAL HG12 H N N 446 
VAL HG13 H N N 447 
VAL HG21 H N N 448 
VAL HG22 H N N 449 
VAL HG23 H N N 450 
VAL HXT  H N N 451 
# 
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  
DBB N   CA   sing N N 70  
DBB CA  C    sing N N 71  
DBB CA  CB   sing N N 72  
DBB C   O    doub N N 73  
DBB CB  CG   sing N N 74  
DBB C   OXT  sing N N 75  
DBB N   H    sing N N 76  
DBB N   H2   sing N N 77  
DBB CA  HA   sing N N 78  
DBB CB  HB2  sing N N 79  
DBB CB  HB3  sing N N 80  
DBB CG  HG1  sing N N 81  
DBB CG  HG2  sing N N 82  
DBB CG  HG3  sing N N 83  
DBB OXT HXT  sing N N 84  
DBU N   CA   sing N N 85  
DBU N   H    sing N N 86  
DBU N   H2   sing N N 87  
DBU CA  CB   doub N Z 88  
DBU CA  C    sing N N 89  
DBU CB  CG   sing N N 90  
DBU CB  HB   sing N N 91  
DBU CG  HG1  sing N N 92  
DBU CG  HG2  sing N N 93  
DBU CG  HG3  sing N N 94  
DBU C   O    doub N N 95  
DBU C   OXT  sing N N 96  
DBU OXT HXT  sing N N 97  
GLU N   CA   sing N N 98  
GLU N   H    sing N N 99  
GLU N   H2   sing N N 100 
GLU CA  C    sing N N 101 
GLU CA  CB   sing N N 102 
GLU CA  HA   sing N N 103 
GLU C   O    doub N N 104 
GLU C   OXT  sing N N 105 
GLU CB  CG   sing N N 106 
GLU CB  HB2  sing N N 107 
GLU CB  HB3  sing N N 108 
GLU CG  CD   sing N N 109 
GLU CG  HG2  sing N N 110 
GLU CG  HG3  sing N N 111 
GLU CD  OE1  doub N N 112 
GLU CD  OE2  sing N N 113 
GLU OE2 HE2  sing N N 114 
GLU OXT HXT  sing N N 115 
GLY N   CA   sing N N 116 
GLY N   H    sing N N 117 
GLY N   H2   sing N N 118 
GLY CA  C    sing N N 119 
GLY CA  HA2  sing N N 120 
GLY CA  HA3  sing N N 121 
GLY C   O    doub N N 122 
GLY C   OXT  sing N N 123 
GLY OXT HXT  sing N N 124 
ILE N   CA   sing N N 125 
ILE N   H    sing N N 126 
ILE N   H2   sing N N 127 
ILE CA  C    sing N N 128 
ILE CA  CB   sing N N 129 
ILE CA  HA   sing N N 130 
ILE C   O    doub N N 131 
ILE C   OXT  sing N N 132 
ILE CB  CG1  sing N N 133 
ILE CB  CG2  sing N N 134 
ILE CB  HB   sing N N 135 
ILE CG1 CD1  sing N N 136 
ILE CG1 HG12 sing N N 137 
ILE CG1 HG13 sing N N 138 
ILE CG2 HG21 sing N N 139 
ILE CG2 HG22 sing N N 140 
ILE CG2 HG23 sing N N 141 
ILE CD1 HD11 sing N N 142 
ILE CD1 HD12 sing N N 143 
ILE CD1 HD13 sing N N 144 
ILE OXT HXT  sing N N 145 
LEU N   CA   sing N N 146 
LEU N   H    sing N N 147 
LEU N   H2   sing N N 148 
LEU CA  C    sing N N 149 
LEU CA  CB   sing N N 150 
LEU CA  HA   sing N N 151 
LEU C   O    doub N N 152 
LEU C   OXT  sing N N 153 
LEU CB  CG   sing N N 154 
LEU CB  HB2  sing N N 155 
LEU CB  HB3  sing N N 156 
LEU CG  CD1  sing N N 157 
LEU CG  CD2  sing N N 158 
LEU CG  HG   sing N N 159 
LEU CD1 HD11 sing N N 160 
LEU CD1 HD12 sing N N 161 
LEU CD1 HD13 sing N N 162 
LEU CD2 HD21 sing N N 163 
LEU CD2 HD22 sing N N 164 
LEU CD2 HD23 sing N N 165 
LEU OXT HXT  sing N N 166 
LYS N   CA   sing N N 167 
LYS N   H    sing N N 168 
LYS N   H2   sing N N 169 
LYS CA  C    sing N N 170 
LYS CA  CB   sing N N 171 
LYS CA  HA   sing N N 172 
LYS C   O    doub N N 173 
LYS C   OXT  sing N N 174 
LYS CB  CG   sing N N 175 
LYS CB  HB2  sing N N 176 
LYS CB  HB3  sing N N 177 
LYS CG  CD   sing N N 178 
LYS CG  HG2  sing N N 179 
LYS CG  HG3  sing N N 180 
LYS CD  CE   sing N N 181 
LYS CD  HD2  sing N N 182 
LYS CD  HD3  sing N N 183 
LYS CE  NZ   sing N N 184 
LYS CE  HE2  sing N N 185 
LYS CE  HE3  sing N N 186 
LYS NZ  HZ1  sing N N 187 
LYS NZ  HZ2  sing N N 188 
LYS NZ  HZ3  sing N N 189 
LYS OXT HXT  sing N N 190 
MET N   CA   sing N N 191 
MET N   H    sing N N 192 
MET N   H2   sing N N 193 
MET CA  C    sing N N 194 
MET CA  CB   sing N N 195 
MET CA  HA   sing N N 196 
MET C   O    doub N N 197 
MET C   OXT  sing N N 198 
MET CB  CG   sing N N 199 
MET CB  HB2  sing N N 200 
MET CB  HB3  sing N N 201 
MET CG  SD   sing N N 202 
MET CG  HG2  sing N N 203 
MET CG  HG3  sing N N 204 
MET SD  CE   sing N N 205 
MET CE  HE1  sing N N 206 
MET CE  HE2  sing N N 207 
MET CE  HE3  sing N N 208 
MET OXT HXT  sing N N 209 
PHE N   CA   sing N N 210 
PHE N   H    sing N N 211 
PHE N   H2   sing N N 212 
PHE CA  C    sing N N 213 
PHE CA  CB   sing N N 214 
PHE CA  HA   sing N N 215 
PHE C   O    doub N N 216 
PHE C   OXT  sing N N 217 
PHE CB  CG   sing N N 218 
PHE CB  HB2  sing N N 219 
PHE CB  HB3  sing N N 220 
PHE CG  CD1  doub Y N 221 
PHE CG  CD2  sing Y N 222 
PHE CD1 CE1  sing Y N 223 
PHE CD1 HD1  sing N N 224 
PHE CD2 CE2  doub Y N 225 
PHE CD2 HD2  sing N N 226 
PHE CE1 CZ   doub Y N 227 
PHE CE1 HE1  sing N N 228 
PHE CE2 CZ   sing Y N 229 
PHE CE2 HE2  sing N N 230 
PHE CZ  HZ   sing N N 231 
PHE OXT HXT  sing N N 232 
PRO N   CA   sing N N 233 
PRO N   CD   sing N N 234 
PRO N   H    sing N N 235 
PRO CA  C    sing N N 236 
PRO CA  CB   sing N N 237 
PRO CA  HA   sing N N 238 
PRO C   O    doub N N 239 
PRO C   OXT  sing N N 240 
PRO CB  CG   sing N N 241 
PRO CB  HB2  sing N N 242 
PRO CB  HB3  sing N N 243 
PRO CG  CD   sing N N 244 
PRO CG  HG2  sing N N 245 
PRO CG  HG3  sing N N 246 
PRO CD  HD2  sing N N 247 
PRO CD  HD3  sing N N 248 
PRO OXT HXT  sing N N 249 
SER N   CA   sing N N 250 
SER N   H    sing N N 251 
SER N   H2   sing N N 252 
SER CA  C    sing N N 253 
SER CA  CB   sing N N 254 
SER CA  HA   sing N N 255 
SER C   O    doub N N 256 
SER C   OXT  sing N N 257 
SER CB  OG   sing N N 258 
SER CB  HB2  sing N N 259 
SER CB  HB3  sing N N 260 
SER OG  HG   sing N N 261 
SER OXT HXT  sing N N 262 
THR N   CA   sing N N 263 
THR N   H    sing N N 264 
THR N   H2   sing N N 265 
THR CA  C    sing N N 266 
THR CA  CB   sing N N 267 
THR CA  HA   sing N N 268 
THR C   O    doub N N 269 
THR C   OXT  sing N N 270 
THR CB  OG1  sing N N 271 
THR CB  CG2  sing N N 272 
THR CB  HB   sing N N 273 
THR OG1 HG1  sing N N 274 
THR CG2 HG21 sing N N 275 
THR CG2 HG22 sing N N 276 
THR CG2 HG23 sing N N 277 
THR OXT HXT  sing N N 278 
TRP N   CA   sing N N 279 
TRP N   H    sing N N 280 
TRP N   H2   sing N N 281 
TRP CA  C    sing N N 282 
TRP CA  CB   sing N N 283 
TRP CA  HA   sing N N 284 
TRP C   O    doub N N 285 
TRP C   OXT  sing N N 286 
TRP CB  CG   sing N N 287 
TRP CB  HB2  sing N N 288 
TRP CB  HB3  sing N N 289 
TRP CG  CD1  doub Y N 290 
TRP CG  CD2  sing Y N 291 
TRP CD1 NE1  sing Y N 292 
TRP CD1 HD1  sing N N 293 
TRP CD2 CE2  doub Y N 294 
TRP CD2 CE3  sing Y N 295 
TRP NE1 CE2  sing Y N 296 
TRP NE1 HE1  sing N N 297 
TRP CE2 CZ2  sing Y N 298 
TRP CE3 CZ3  doub Y N 299 
TRP CE3 HE3  sing N N 300 
TRP CZ2 CH2  doub Y N 301 
TRP CZ2 HZ2  sing N N 302 
TRP CZ3 CH2  sing Y N 303 
TRP CZ3 HZ3  sing N N 304 
TRP CH2 HH2  sing N N 305 
TRP OXT HXT  sing N N 306 
TYR N   CA   sing N N 307 
TYR N   H    sing N N 308 
TYR N   H2   sing N N 309 
TYR CA  C    sing N N 310 
TYR CA  CB   sing N N 311 
TYR CA  HA   sing N N 312 
TYR C   O    doub N N 313 
TYR C   OXT  sing N N 314 
TYR CB  CG   sing N N 315 
TYR CB  HB2  sing N N 316 
TYR CB  HB3  sing N N 317 
TYR CG  CD1  doub Y N 318 
TYR CG  CD2  sing Y N 319 
TYR CD1 CE1  sing Y N 320 
TYR CD1 HD1  sing N N 321 
TYR CD2 CE2  doub Y N 322 
TYR CD2 HD2  sing N N 323 
TYR CE1 CZ   doub Y N 324 
TYR CE1 HE1  sing N N 325 
TYR CE2 CZ   sing Y N 326 
TYR CE2 HE2  sing N N 327 
TYR CZ  OH   sing N N 328 
TYR OH  HH   sing N N 329 
TYR OXT HXT  sing N N 330 
V4F CAK CAG  doub Y N 331 
V4F CAK CAJ  sing Y N 332 
V4F CA  CAJ  sing N N 333 
V4F CA  N    sing N N 334 
V4F CAG CAI  sing Y N 335 
V4F CAJ CAM  doub Y N 336 
V4F CAI CAL  doub Y N 337 
V4F CAM CAL  sing Y N 338 
V4F CAM NAH  sing Y N 339 
V4F CAL CAF  sing Y N 340 
V4F NAH CAE  doub Y N 341 
V4F CAF O01  sing N N 342 
V4F CAF CAD  doub Y N 343 
V4F O1  P    doub N N 344 
V4F O01 C01  sing N N 345 
V4F CAE CAD  sing Y N 346 
V4F CAE C    sing N N 347 
V4F C   O    doub N N 348 
V4F P   C01  sing N N 349 
V4F P   O3   sing N N 350 
V4F P   O2   sing N N 351 
V4F CAD HAD  sing N N 352 
V4F CAK HAK  sing N N 353 
V4F CAG HAG  sing N N 354 
V4F CAI HAI  sing N N 355 
V4F C01 H3   sing N N 356 
V4F CA  HA1  sing N N 357 
V4F CA  HA2  sing N N 358 
V4F N   H    sing N N 359 
V4F N   H2   sing N N 360 
V4F O3  HPO3 sing N N 361 
V4F O2  HPO2 sing N N 362 
V4F C   OXT  sing N N 363 
V4F C01 H1   sing N N 364 
V4F OXT HXT  sing N N 365 
V53 O   C    doub N N 366 
V53 C   CAJ  sing N N 367 
V53 CAJ CAD  doub Y N 368 
V53 CAJ NAH  sing Y N 369 
V53 O1  P    doub N N 370 
V53 CAD CAF  sing Y N 371 
V53 C01 P    sing N N 372 
V53 C01 O01  sing N N 373 
V53 NAH CAM  doub Y N 374 
V53 P   O3   sing N N 375 
V53 P   O2   sing N N 376 
V53 CAF O01  sing N N 377 
V53 CAF CAL  doub Y N 378 
V53 CAM CAL  sing Y N 379 
V53 CAM CA   sing Y N 380 
V53 CAL CAI  sing Y N 381 
V53 N   CA   sing N N 382 
V53 CA  CAK  doub Y N 383 
V53 CAI CAG  doub Y N 384 
V53 CAK CAG  sing Y N 385 
V53 CAK HAK  sing N N 386 
V53 CAG HAG  sing N N 387 
V53 CAI HAI  sing N N 388 
V53 N   H    sing N N 389 
V53 C   OXT  sing N N 390 
V53 OXT HXT  sing N N 391 
V53 H2  N    sing N N 392 
V53 CAD HAD  sing N N 393 
V53 O2  HPO2 sing N N 394 
V53 O3  HPO3 sing N N 395 
V53 C01 H1   sing N N 396 
V53 C01 H3   sing N N 397 
V5F C3  C2   doub Y N 398 
V5F C3  C4   sing Y N 399 
V5F C2  C1   sing Y N 400 
V5F C4  C5   doub Y N 401 
V5F CB  C6   sing N N 402 
V5F C6  O1   sing N N 403 
V5F C6  C    sing N N 404 
V5F C1  CA   doub Y N 405 
V5F C1  O1   sing N N 406 
V5F C5  CA   sing Y N 407 
V5F O   C    doub N N 408 
V5F CA  N    sing N N 409 
V5F C6  H6   sing N N 410 
V5F C2  H5   sing N N 411 
V5F C5  H4   sing N N 412 
V5F C4  H1   sing N N 413 
V5F C3  H3   sing N N 414 
V5F CB  HB1  sing N N 415 
V5F CB  HB2  sing N N 416 
V5F CB  HB3  sing N N 417 
V5F N   H    sing N N 418 
V5F C   OXT  sing N N 419 
V5F OXT HXT  sing N N 420 
V5F N   H2   sing N N 421 
VAL N   CA   sing N N 422 
VAL N   H    sing N N 423 
VAL N   H2   sing N N 424 
VAL CA  C    sing N N 425 
VAL CA  CB   sing N N 426 
VAL CA  HA   sing N N 427 
VAL C   O    doub N N 428 
VAL C   OXT  sing N N 429 
VAL CB  CG1  sing N N 430 
VAL CB  CG2  sing N N 431 
VAL CB  HB   sing N N 432 
VAL CG1 HG11 sing N N 433 
VAL CG1 HG12 sing N N 434 
VAL CG1 HG13 sing N N 435 
VAL CG2 HG21 sing N N 436 
VAL CG2 HG22 sing N N 437 
VAL CG2 HG23 sing N N 438 
VAL OXT HXT  sing N N 439 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Research Foundation (DFG)' Germany          '325871075 (CRC1309-C7)' 1 
'European Research Council (ERC)'  'European Union' ERC-2021-ADG-320892      2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   8CMN 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 64 2 2' 
_space_group.name_Hall        'P 64 2 (x,y,z+1/6)' 
_space_group.IT_number        181 
_space_group.crystal_system   hexagonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8QPC 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.014103 
_atom_sites.fract_transf_matrix[1][2]   0.008142 
_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]   0.016285 
_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]   0.008197 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 6.96715 ?       ? ? 11.43723 ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 7.96527 ?       ? ? 9.05267  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
P ? ? 9.51135 5.44231 ? ? 1.42069  35.72801 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . MET A 1 1  ? -11.78656 -12.00457 -6.46384 1.000 148.20384 ?  1  MET AA N   1 
ATOM   2   C CA  . MET A 1 1  ? -11.08129 -13.07852 -7.16314 1.000 153.59709 ?  1  MET AA CA  1 
ATOM   3   C C   . MET A 1 1  ? -9.63029  -13.23608 -6.62214 1.000 149.52367 ?  1  MET AA C   1 
ATOM   4   O O   . MET A 1 1  ? -8.68928  -13.48650 -7.35991 1.000 153.19091 ?  1  MET AA O   1 
ATOM   5   C CB  . MET A 1 1  ? -11.16176 -12.87211 -8.68292 1.000 150.87843 ?  1  MET AA CB  1 
ATOM   6   C CG  . MET A 1 1  ? -10.30629 -13.79521 -9.59419 1.000 158.78364 ?  1  MET AA CG  1 
ATOM   7   S SD  . MET A 1 1  ? -10.05066 -15.50718 -9.08474 1.000 170.82205 ?  1  MET AA SD  1 
ATOM   8   C CE  . MET A 1 1  ? -11.71361 -16.07097 -8.63719 1.000 153.49327 ?  1  MET AA CE  1 
ATOM   9   N N   . VAL A 1 2  ? -9.46701  -13.00648 -5.32105 1.000 151.27392 ?  2  VAL AA N   1 
ATOM   10  C CA  . VAL A 1 2  ? -8.16899  -13.17378 -4.70297 1.000 149.33289 ?  2  VAL AA CA  1 
ATOM   11  C C   . VAL A 1 2  ? -8.20231  -14.47635 -3.91301 1.000 144.46933 ?  2  VAL AA C   1 
ATOM   12  O O   . VAL A 1 2  ? -9.15139  -14.72392 -3.16064 1.000 152.18283 ?  2  VAL AA O   1 
ATOM   13  C CB  . VAL A 1 2  ? -7.85986  -11.96917 -3.80618 1.000 147.00963 ?  2  VAL AA CB  1 
ATOM   14  C CG1 . VAL A 1 2  ? -6.55479  -12.14758 -3.05011 1.000 139.62540 ?  2  VAL AA CG1 1 
ATOM   15  C CG2 . VAL A 1 2  ? -7.84364  -10.69350 -4.66315 1.000 152.41563 ?  2  VAL AA CG2 1 
ATOM   16  N N   . LYS A 1 3  ? -7.13407  -15.27559 -3.98031 1.000 139.81459 ?  3  LYS AA N   1 
ATOM   17  C CA  . LYS A 1 3  ? -7.11919  -16.49128 -3.17330 1.000 138.59462 ?  3  LYS AA CA  1 
ATOM   18  C C   . LYS A 1 3  ? -6.34299  -16.29199 -1.89161 1.000 139.33254 ?  3  LYS AA C   1 
ATOM   19  O O   . LYS A 1 3  ? -5.36036  -15.54613 -1.85360 1.000 141.17228 ?  3  LYS AA O   1 
ATOM   20  C CB  . LYS A 1 3  ? -6.50915  -17.64495 -3.97461 1.000 141.43388 ?  3  LYS AA CB  1 
ATOM   21  N N   . VAL A 1 4  ? -6.77390  -17.00791 -0.85093 1.000 139.05288 ?  4  VAL AA N   1 
ATOM   22  C CA  . VAL A 1 4  ? -6.05811  -17.00149 0.42264  1.000 137.11244 ?  4  VAL AA CA  1 
ATOM   23  C C   . VAL A 1 4  ? -5.76388  -18.41448 0.86431  1.000 141.76155 ?  4  VAL AA C   1 
ATOM   24  O O   . VAL A 1 4  ? -6.69036  -19.17269 1.11126  1.000 136.43657 ?  4  VAL AA O   1 
ATOM   25  C CB  . VAL A 1 4  ? -6.83484  -16.24870 1.51072  1.000 132.26810 ?  4  VAL AA CB  1 
ATOM   26  C CG1 . VAL A 1 4  ? -6.11930  -16.37232 2.83819  1.000 141.72573 ?  4  VAL AA CG1 1 
ATOM   27  C CG2 . VAL A 1 4  ? -7.03398  -14.80896 1.12502  1.000 133.77012 ?  4  VAL AA CG2 1 
ATOM   28  N N   . LYS A 1 5  ? -4.49740  -18.71938 1.07730  1.000 143.54984 ?  5  LYS AA N   1 
ATOM   29  C CA  . LYS A 1 5  ? -3.97713  -20.06171 1.33289  1.000 143.30628 ?  5  LYS AA CA  1 
ATOM   30  C C   . LYS A 1 5  ? -3.48330  -20.08394 2.77258  1.000 139.60662 ?  5  LYS AA C   1 
ATOM   31  O O   . LYS A 1 5  ? -2.55444  -19.32123 3.14064  1.000 131.25224 ?  5  LYS AA O   1 
ATOM   32  C CB  . LYS A 1 5  ? -2.83951  -20.42835 0.34491  1.000 134.12506 ?  5  LYS AA CB  1 
ATOM   33  N N   . PHE A 1 6  ? -4.01287  -21.03244 3.55913  1.000 147.58960 ?  6  PHE AA N   1 
ATOM   34  C CA  . PHE A 1 6  ? -3.71902  -21.04123 4.98494  1.000 134.74852 ?  6  PHE AA CA  1 
ATOM   35  C C   . PHE A 1 6  ? -3.63779  -22.47283 5.49773  1.000 138.06145 ?  6  PHE AA C   1 
ATOM   36  O O   . PHE A 1 6  ? -4.20912  -23.39513 4.91432  1.000 144.18616 ?  6  PHE AA O   1 
ATOM   37  C CB  . PHE A 1 6  ? -4.84304  -20.33545 5.75920  1.000 130.01225 ?  6  PHE AA CB  1 
ATOM   38  C CG  . PHE A 1 6  ? -6.18558  -20.98939 5.54647  1.000 130.80508 ?  6  PHE AA CG  1 
ATOM   39  C CD1 . PHE A 1 6  ? -6.86000  -20.84696 4.33900  1.000 136.50036 ?  6  PHE AA CD1 1 
ATOM   40  C CD2 . PHE A 1 6  ? -6.74268  -21.77698 6.51717  1.000 133.21196 ?  6  PHE AA CD2 1 
ATOM   41  C CE1 . PHE A 1 6  ? -8.06641  -21.43919 4.12624  1.000 144.62542 ?  6  PHE AA CE1 1 
ATOM   42  C CE2 . PHE A 1 6  ? -7.96012  -22.39021 6.32341  1.000 135.78852 ?  6  PHE AA CE2 1 
ATOM   43  C CZ  . PHE A 1 6  ? -8.63349  -22.22680 5.13594  1.000 139.22913 ?  6  PHE AA CZ  1 
ATOM   44  N N   . LYS A 1 7  ? -2.88148  -22.63834 6.58514  1.000 132.93927 ?  7  LYS AA N   1 
ATOM   45  C CA  . LYS A 1 7  ? -2.75289  -23.94013 7.22200  1.000 132.20975 ?  7  LYS AA CA  1 
ATOM   46  C C   . LYS A 1 7  ? -3.79248  -24.06282 8.34853  1.000 130.39256 ?  7  LYS AA C   1 
ATOM   47  O O   . LYS A 1 7  ? -3.83011  -23.20945 9.23325  1.000 125.57724 ?  7  LYS AA O   1 
ATOM   48  C CB  . LYS A 1 7  ? -1.33301  -24.13959 7.72398  1.000 123.09829 ?  7  LYS AA CB  1 
ATOM   49  C CG  . LYS A 1 7  ? -1.02005  -25.60342 7.90460  1.000 127.84243 ?  7  LYS AA CG  1 
ATOM   50  C CD  . LYS A 1 7  ? 0.39607   -25.89210 7.45951  1.000 132.78342 ?  7  LYS AA CD  1 
ATOM   51  C CE  . LYS A 1 7  ? 0.88678   -27.14971 8.13919  1.000 123.03831 ?  7  LYS AA CE  1 
ATOM   52  N NZ  . LYS A 1 7  ? 2.24058   -27.59730 7.75201  1.000 115.48349 ?  7  LYS AA NZ  1 
ATOM   53  N N   . TYR A 1 8  ? -4.63873  -25.09495 8.28820  1.000 138.14925 ?  8  TYR AA N   1 
ATOM   54  C CA  . TYR A 1 8  ? -5.60881  -25.42271 9.32152  1.000 144.31868 ?  8  TYR AA CA  1 
ATOM   55  C C   . TYR A 1 8  ? -5.28641  -26.79087 9.89421  1.000 146.36548 ?  8  TYR AA C   1 
ATOM   56  O O   . TYR A 1 8  ? -5.48997  -27.79790 9.23351  1.000 143.79986 ?  8  TYR AA O   1 
ATOM   57  C CB  . TYR A 1 8  ? -7.04903  -25.38421 8.82742  1.000 141.28833 ?  8  TYR AA CB  1 
ATOM   58  C CG  . TYR A 1 8  ? -7.97626  -25.79711 9.92364  1.000 139.40872 ?  8  TYR AA CG  1 
ATOM   59  C CD1 . TYR A 1 8  ? -8.39070  -24.87499 10.87364 1.000 139.94664 ?  8  TYR AA CD1 1 
ATOM   60  C CD2 . TYR A 1 8  ? -8.41402  -27.11828 10.04883 1.000 140.91615 ?  8  TYR AA CD2 1 
ATOM   61  C CE1 . TYR A 1 8  ? -9.22987  -25.24303 11.90385 1.000 147.12279 ?  8  TYR AA CE1 1 
ATOM   62  C CE2 . TYR A 1 8  ? -9.25019  -27.48632 11.08304 1.000 146.89830 ?  8  TYR AA CE2 1 
ATOM   63  C CZ  . TYR A 1 8  ? -9.66564  -26.55918 12.01204 1.000 152.35487 ?  8  TYR AA CZ  1 
ATOM   64  O OH  . TYR A 1 8  ? -10.48681 -26.92725 13.03224 1.000 154.38419 ?  8  TYR AA OH  1 
ATOM   65  N N   . LYS A 1 9  ? -4.83775  -26.83685 11.13690 1.000 149.78454 ?  9  LYS AA N   1 
ATOM   66  C CA  . LYS A 1 9  ? -4.53399  -28.08309 11.86671 1.000 147.13533 ?  9  LYS AA CA  1 
ATOM   67  C C   . LYS A 1 9  ? -3.48812  -28.86472 11.10444 1.000 139.29568 ?  9  LYS AA C   1 
ATOM   68  O O   . LYS A 1 9  ? -3.57086  -30.08740 10.91849 1.000 138.40551 ?  9  LYS AA O   1 
ATOM   69  C CB  . LYS A 1 9  ? -5.78665  -28.92260 12.10678 1.000 141.49311 ?  9  LYS AA CB  1 
ATOM   70  N N   . GLY A 1 10 ? -2.44781  -28.13863 10.69540 1.000 135.48662 ?  10 GLY AA N   1 
ATOM   71  C CA  . GLY A 1 10 ? -1.40771  -28.79420 9.88024  1.000 143.25616 ?  10 GLY AA CA  1 
ATOM   72  C C   . GLY A 1 10 ? -1.84144  -29.20913 8.48616  1.000 149.88412 ?  10 GLY AA C   1 
ATOM   73  O O   . GLY A 1 10 ? -1.08228  -29.86920 7.79217  1.000 147.25298 ?  10 GLY AA O   1 
ATOM   74  N N   . GLU A 1 11 ? -3.03286  -28.81322 8.05120  1.000 146.05954 ?  11 GLU AA N   1 
ATOM   75  C CA  . GLU A 1 11 ? -3.55435  -29.13002 6.71826  1.000 151.81628 ?  11 GLU AA CA  1 
ATOM   76  C C   . GLU A 1 11 ? -3.64517  -27.87212 5.85534  1.000 155.38678 ?  11 GLU AA C   1 
ATOM   77  O O   . GLU A 1 11 ? -4.26485  -26.90110 6.24250  1.000 155.45842 ?  11 GLU AA O   1 
ATOM   78  C CB  . GLU A 1 11 ? -4.94774  -29.79709 6.79856  1.000 146.32804 ?  11 GLU AA CB  1 
ATOM   79  C CG  . GLU A 1 11 ? -5.62488  -29.94553 5.43784  1.000 151.11533 ?  11 GLU AA CG  1 
ATOM   80  C CD  . GLU A 1 11 ? -7.11568  -30.34140 5.53142  1.000 153.29015 ?  11 GLU AA CD  1 
ATOM   81  O OE1 . GLU A 1 11 ? -7.63636  -30.51020 6.65860  1.000 150.00859 ?  11 GLU AA OE1 1 
ATOM   82  O OE2 . GLU A 1 11 ? -7.74254  -30.44220 4.47272  1.000 149.81476 ?  11 GLU AA OE2 1 
ATOM   83  N N   . GLU A 1 12 ? -3.06897  -27.91139 4.66996  1.000 154.94926 ?  12 GLU AA N   1 
ATOM   84  C CA  . GLU A 1 12 ? -3.16816  -26.80441 3.72392  1.000 150.21325 ?  12 GLU AA CA  1 
ATOM   85  C C   . GLU A 1 12 ? -4.54327  -26.66893 3.07986  1.000 153.50109 ?  12 GLU AA C   1 
ATOM   86  O O   . GLU A 1 12 ? -5.19560  -27.65925 2.74245  1.000 152.53523 ?  12 GLU AA O   1 
ATOM   87  C CB  . GLU A 1 12 ? -2.12221  -26.98075 2.61214  1.000 143.03722 ?  12 GLU AA CB  1 
ATOM   88  C CG  . GLU A 1 12 ? -0.68149  -26.76017 3.01645  1.000 149.85317 ?  12 GLU AA CG  1 
ATOM   89  C CD  . GLU A 1 12 ? -0.46413  -25.37014 3.63945  1.000 159.25612 ?  12 GLU AA CD  1 
ATOM   90  O OE1 . GLU A 1 12 ? -1.35332  -24.49313 3.51270  1.000 162.64395 ?  12 GLU AA OE1 1 
ATOM   91  O OE2 . GLU A 1 12 ? 0.62572   -25.14296 4.22098  1.000 142.51661 ?  12 GLU AA OE2 1 
ATOM   92  N N   . LYS A 1 13 ? -4.99468  -25.42182 2.92015  1.000 144.43362 ?  13 LYS AA N   1 
ATOM   93  C CA  . LYS A 1 13 ? -6.33247  -25.16651 2.37716  1.000 145.74890 ?  13 LYS AA CA  1 
ATOM   94  C C   . LYS A 1 13 ? -6.27996  -23.80305 1.68124  1.000 147.56824 ?  13 LYS AA C   1 
ATOM   95  O O   . LYS A 1 13 ? -5.38713  -23.02318 1.93933  1.000 143.81235 ?  13 LYS AA O   1 
ATOM   96  C CB  . LYS A 1 13 ? -7.35853  -25.05725 3.54087  1.000 143.79448 ?  13 LYS AA CB  1 
ATOM   97  C CG  . LYS A 1 13 ? -7.54766  -26.29154 4.39898  1.000 145.63907 ?  13 LYS AA CG  1 
ATOM   98  C CD  . LYS A 1 13 ? -8.83505  -26.23043 5.20181  1.000 146.44338 ?  13 LYS AA CD  1 
ATOM   99  C CE  . LYS A 1 13 ? -9.15764  -27.59621 5.77489  1.000 144.75683 ?  13 LYS AA CE  1 
ATOM   100 N NZ  . LYS A 1 13 ? -9.42662  -27.53181 7.23210  1.000 143.68581 ?  13 LYS AA NZ  1 
ATOM   101 N N   . GLU A 1 14 ? -7.30076  -23.48020 0.87512  1.000 143.84415 ?  14 GLU AA N   1 
ATOM   102 C CA  . GLU A 1 14 ? -7.49194  -22.07953 0.56037  1.000 143.90340 ?  14 GLU AA CA  1 
ATOM   103 C C   . GLU A 1 14 ? -8.91876  -21.85607 0.07142  1.000 146.31905 ?  14 GLU AA C   1 
ATOM   104 O O   . GLU A 1 14 ? -9.66891  -22.77423 -0.21488 1.000 147.58958 ?  14 GLU AA O   1 
ATOM   105 C CB  . GLU A 1 14 ? -6.49023  -21.47288 -0.42674 1.000 145.31797 ?  14 GLU AA CB  1 
ATOM   106 C CG  . GLU A 1 14 ? -6.80251  -21.20607 -1.83133 1.000 150.75853 ?  14 GLU AA CG  1 
ATOM   107 C CD  . GLU A 1 14 ? -6.88361  -22.41221 -2.67327 1.000 160.95044 ?  14 GLU AA CD  1 
ATOM   108 O OE1 . GLU A 1 14 ? -6.87770  -23.53767 -2.13319 1.000 163.06878 ?  14 GLU AA OE1 1 
ATOM   109 O OE2 . GLU A 1 14 ? -6.82388  -22.19134 -3.90112 1.000 164.62457 ?  14 GLU AA OE2 1 
ATOM   110 N N   . VAL A 1 15 ? -9.27306  -20.57323 -0.02033 1.000 140.44596 ?  15 VAL AA N   1 
ATOM   111 C CA  . VAL A 1 15 ? -10.59243 -20.15102 -0.47719 1.000 149.38673 ?  15 VAL AA CA  1 
ATOM   112 C C   . VAL A 1 15 ? -10.59274 -18.73254 -1.06303 1.000 150.96028 ?  15 VAL AA C   1 
ATOM   113 O O   . VAL A 1 15 ? -9.68689  -17.94670 -0.79894 1.000 143.00090 ?  15 VAL AA O   1 
ATOM   114 C CB  . VAL A 1 15 ? -11.63194 -20.23770 0.64737  1.000 150.10583 ?  15 VAL AA CB  1 
ATOM   115 C CG1 . VAL A 1 15 ? -11.55643 -21.58843 1.33423  1.000 147.81453 ?  15 VAL AA CG1 1 
ATOM   116 C CG2 . VAL A 1 15 ? -11.41590 -19.10497 1.64016  1.000 145.60041 ?  15 VAL AA CG2 1 
ATOM   117 N N   . ASP A 1 16 ? -11.62953 -18.41468 -1.83815 1.000 149.60076 ?  16 ASP AA N   1 
ATOM   118 C CA  . ASP A 1 16 ? -11.77911 -17.10784 -2.47999 1.000 149.41499 ?  16 ASP AA CA  1 
ATOM   119 C C   . ASP A 1 16 ? -12.01308 -15.98014 -1.48093 1.000 146.21814 ?  16 ASP AA C   1 
ATOM   120 O O   . ASP A 1 16 ? -12.58791 -16.19877 -0.41976 1.000 146.56565 ?  16 ASP AA O   1 
ATOM   121 C CB  . ASP A 1 16 ? -12.92881 -17.14855 -3.48633 1.000 150.62301 ?  16 ASP AA CB  1 
ATOM   122 N N   . THR A 1 17 ? -11.57370 -14.77280 -1.82522 1.000 146.64959 ?  17 THR AA N   1 
ATOM   123 C CA  . THR A 1 17 ? -11.72670 -13.62519 -0.94119 1.000 141.19187 ?  17 THR AA CA  1 
ATOM   124 C C   . THR A 1 17 ? -13.20411 -13.41320 -0.71412 1.000 142.47232 ?  17 THR AA C   1 
ATOM   125 O O   . THR A 1 17 ? -13.65588 -13.15513 0.39636  1.000 139.91578 ?  17 THR AA O   1 
ATOM   126 C CB  . THR A 1 17 ? -11.15935 -12.35188 -1.58350 1.000 140.26253 ?  17 THR AA CB  1 
ATOM   127 O OG1 . THR A 1 17 ? -9.72833  -12.36703 -1.50137 1.000 134.49943 ?  17 THR AA OG1 1 
ATOM   128 C CG2 . THR A 1 17 ? -11.69528 -11.11729 -0.88717 1.000 140.67789 ?  17 THR AA CG2 1 
ATOM   129 N N   . SER A 1 18 ? -13.95701 -13.52670 -1.79776 1.000 140.57270 ?  18 SER AA N   1 
ATOM   130 C CA  . SER A 1 18 ? -15.40377 -13.42864 -1.73981 1.000 145.25894 ?  18 SER AA CA  1 
ATOM   131 C C   . SER A 1 18 ? -15.92994 -14.29644 -0.59820 1.000 148.93232 ?  18 SER AA C   1 
ATOM   132 O O   . SER A 1 18 ? -16.72642 -13.82340 0.23267  1.000 149.67269 ?  18 SER AA O   1 
ATOM   133 C CB  . SER A 1 18 ? -15.98346 -13.83830 -3.08079 1.000 156.67466 ?  18 SER AA CB  1 
ATOM   134 O OG  . SER A 1 18 ? -15.73656 -15.20662 -3.35506 1.000 158.18579 ?  18 SER AA OG  1 
ATOM   135 N N   . LYS A 1 19 ? -15.55670 -15.59027 -0.56348 1.000 148.87354 ?  19 LYS AA N   1 
ATOM   136 C CA  . LYS A 1 19 ? -16.27318 -16.52445 0.31019  1.000 150.97711 ?  19 LYS AA CA  1 
ATOM   137 C C   . LYS A 1 19 ? -16.11150 -16.16300 1.79639  1.000 151.10552 ?  19 LYS AA C   1 
ATOM   138 O O   . LYS A 1 19 ? -16.73737 -16.80735 2.64925  1.000 150.43415 ?  19 LYS AA O   1 
ATOM   139 C CB  . LYS A 1 19 ? -15.83347 -17.98719 0.05874  1.000 157.77957 ?  19 LYS AA CB  1 
ATOM   140 C CG  . LYS A 1 19 ? -15.74627 -18.40016 -1.44365 1.000 160.25059 ?  19 LYS AA CG  1 
ATOM   141 C CD  . LYS A 1 19 ? -15.39065 -19.90773 -1.67909 1.000 166.22871 ?  19 LYS AA CD  1 
ATOM   142 C CE  . LYS A 1 19 ? -13.95250 -20.15037 -2.23916 1.000 157.19890 ?  19 LYS AA CE  1 
ATOM   143 N NZ  . LYS A 1 19 ? -13.65933 -20.60987 -3.63271 1.000 170.48199 ?  19 LYS AA NZ  1 
ATOM   144 N N   . ILE A 1 20 ? -15.25018 -15.17311 2.12068  1.000 152.54123 ?  20 ILE AA N   1 
ATOM   145 C CA  . ILE A 1 20 ? -14.90164 -14.84898 3.50173  1.000 146.79686 ?  20 ILE AA CA  1 
ATOM   146 C C   . ILE A 1 20 ? -16.01443 -13.98307 4.09311  1.000 155.64539 ?  20 ILE AA C   1 
ATOM   147 O O   . ILE A 1 20 ? -16.66012 -13.17712 3.40016  1.000 154.96455 ?  20 ILE AA O   1 
ATOM   148 C CB  . ILE A 1 20 ? -13.52809 -14.14097 3.55348  1.000 143.65679 ?  20 ILE AA CB  1 
ATOM   149 C CG1 . ILE A 1 20 ? -12.44344 -15.11294 3.10703  1.000 144.61508 ?  20 ILE AA CG1 1 
ATOM   150 C CG2 . ILE A 1 20 ? -13.19216 -13.63984 4.95969  1.000 143.63807 ?  20 ILE AA CG2 1 
ATOM   151 C CD1 . ILE A 1 20 ? -11.07121 -14.50579 2.97970  1.000 140.32226 ?  20 ILE AA CD1 1 
ATOM   152 N N   . LYS A 1 21 ? -16.18690 -14.10777 5.41111  1.000 146.19965 ?  21 LYS AA N   1 
ATOM   153 C CA  . LYS A 1 21 ? -17.16477 -13.32527 6.14934  1.000 148.15910 ?  21 LYS AA CA  1 
ATOM   154 C C   . LYS A 1 21 ? -16.45723 -12.42160 7.14865  1.000 137.40373 ?  21 LYS AA C   1 
ATOM   155 O O   . LYS A 1 21 ? -16.33776 -11.20867 6.92557  1.000 135.29804 ?  21 LYS AA O   1 
ATOM   156 C CB  . LYS A 1 21 ? -18.18129 -14.22465 6.83922  1.000 151.82940 ?  21 LYS AA CB  1 
ATOM   157 C CG  . LYS A 1 21 ? -18.51952 -15.51130 6.06638  1.000 155.70715 ?  21 LYS AA CG  1 
ATOM   158 C CD  . LYS A 1 21 ? -19.79479 -16.22994 6.53856  1.000 163.11576 ?  21 LYS AA CD  1 
ATOM   159 C CE  . LYS A 1 21 ? -19.61226 -16.84347 7.93595  1.000 161.60480 ?  21 LYS AA CE  1 
ATOM   160 N NZ  . LYS A 1 21 ? -20.39789 -18.11392 8.09639  1.000 173.48461 ?  21 LYS AA NZ  1 
ATOM   161 N N   . LYS A 1 22 ? -15.97873 -12.96953 8.26092  1.000 129.94536 ?  22 LYS AA N   1 
ATOM   162 C CA  . LYS A 1 22 ? -15.48029 -12.14750 9.36628  1.000 127.06036 ?  22 LYS AA CA  1 
ATOM   163 C C   . LYS A 1 22 ? -13.95818 -12.10379 9.38540  1.000 134.60468 ?  22 LYS AA C   1 
ATOM   164 O O   . LYS A 1 22 ? -13.30542 -13.14118 9.36816  1.000 128.88247 ?  22 LYS AA O   1 
ATOM   165 C CB  . LYS A 1 22 ? -15.95870 -12.71055 10.68712 1.000 129.33632 ?  22 LYS AA CB  1 
ATOM   166 C CG  . LYS A 1 22 ? -17.40866 -13.16045 10.70762 1.000 142.90241 ?  22 LYS AA CG  1 
ATOM   167 C CD  . LYS A 1 22 ? -18.36208 -11.99651 10.84115 1.000 158.80287 ?  22 LYS AA CD  1 
ATOM   168 C CE  . LYS A 1 22 ? -19.27183 -12.21252 12.03152 1.000 167.12525 ?  22 LYS AA CE  1 
ATOM   169 N NZ  . LYS A 1 22 ? -19.87783 -10.93756 12.45592 1.000 181.04211 ?  22 LYS AA NZ  1 
ATOM   170 N N   . VAL A 1 23 ? -13.38856 -10.90406 9.45203  1.000 137.57880 ?  23 VAL AA N   1 
ATOM   171 C CA  . VAL A 1 23 ? -11.93409 -10.70525 9.52632  1.000 127.85521 ?  23 VAL AA CA  1 
ATOM   172 C C   . VAL A 1 23 ? -11.53059 -9.88611  10.75374 1.000 126.23774 ?  23 VAL AA C   1 
ATOM   173 O O   . VAL A 1 23 ? -11.90900 -8.72542  10.91392 1.000 128.40302 ?  23 VAL AA O   1 
ATOM   174 C CB  . VAL A 1 23 ? -11.33357 -10.09648 8.22845  1.000 122.99759 ?  23 VAL AA CB  1 
ATOM   175 C CG1 . VAL A 1 23 ? -11.74460 -8.66444  8.03887  1.000 124.84284 ?  23 VAL AA CG1 1 
ATOM   176 C CG2 . VAL A 1 23 ? -9.85065  -10.16273 8.31150  1.000 111.72565 ?  23 VAL AA CG2 1 
ATOM   177 N N   . TRP A 1 24 ? -10.76240 -10.51648 11.64077 1.000 116.31178 ?  24 TRP AA N   1 
ATOM   178 C CA  . TRP A 1 24 ? -10.38632 -9.91233  12.92703 1.000 117.68851 ?  24 TRP AA CA  1 
ATOM   179 C C   . TRP A 1 24 ? -8.88701  -9.75051  12.87226 1.000 113.02432 ?  24 TRP AA C   1 
ATOM   180 O O   . TRP A 1 24 ? -8.20515  -10.56746 12.23018 1.000 117.53003 ?  24 TRP AA O   1 
ATOM   181 C CB  . TRP A 1 24 ? -10.72440 -10.74457 14.10956 1.000 110.75852 ?  24 TRP AA CB  1 
ATOM   182 C CG  . TRP A 1 24 ? -12.13932 -10.76670 14.32340 1.000 128.56159 ?  24 TRP AA CG  1 
ATOM   183 C CD1 . TRP A 1 24 ? -13.00900 -9.81520  14.77769 1.000 130.42774 ?  24 TRP AA CD1 1 
ATOM   184 C CD2 . TRP A 1 24 ? -12.91594 -11.93991 14.16391 1.000 135.76901 ?  24 TRP AA CD2 1 
ATOM   185 N NE1 . TRP A 1 24 ? -14.30804 -10.31346 14.83907 1.000 136.05052 ?  24 TRP AA NE1 1 
ATOM   186 C CE2 . TRP A 1 24 ? -14.26807 -11.62326 14.48098 1.000 138.67660 ?  24 TRP AA CE2 1 
ATOM   187 C CE3 . TRP A 1 24 ? -12.61101 -13.25724 13.76265 1.000 122.38601 ?  24 TRP AA CE3 1 
ATOM   188 C CZ2 . TRP A 1 24 ? -15.28516 -12.57502 14.40482 1.000 155.10732 ?  24 TRP AA CZ2 1 
ATOM   189 C CZ3 . TRP A 1 24 ? -13.62199 -14.16002 13.69553 1.000 132.72299 ?  24 TRP AA CZ3 1 
ATOM   190 C CH2 . TRP A 1 24 ? -14.90812 -13.83950 14.00456 1.000 139.83483 ?  24 TRP AA CH2 1 
ATOM   191 N N   . ARG A 1 25 ? -8.36744  -8.75920  13.58275 1.000 128.07188 ?  25 ARG AA N   1 
ATOM   192 C CA  . ARG A 1 25 ? -6.94402  -8.60638  13.73202 1.000 125.79017 ?  25 ARG AA CA  1 
ATOM   193 C C   . ARG A 1 25 ? -6.55633  -9.13833  15.10235 1.000 123.30527 ?  25 ARG AA C   1 
ATOM   194 O O   . ARG A 1 25 ? -7.01563  -8.63819  16.14204 1.000 121.12310 ?  25 ARG AA O   1 
ATOM   195 C CB  . ARG A 1 25 ? -6.50799  -7.16021  13.60793 1.000 127.65834 ?  25 ARG AA CB  1 
ATOM   196 C CG  . ARG A 1 25 ? -4.99766  -7.03755  13.71712 1.000 124.62102 ?  25 ARG AA CG  1 
ATOM   197 C CD  . ARG A 1 25 ? -4.53105  -5.69217  13.24893 1.000 130.63584 ?  25 ARG AA CD  1 
ATOM   198 N NE  . ARG A 1 25 ? -3.62806  -5.84719  12.12526 1.000 134.68215 ?  25 ARG AA NE  1 
ATOM   199 C CZ  . ARG A 1 25 ? -3.81144  -5.23285  10.96187 1.000 144.16820 ?  25 ARG AA CZ  1 
ATOM   200 N NH1 . ARG A 1 25 ? -4.95128  -4.60817  10.67707 1.000 143.23707 ?  25 ARG AA NH1 1 
ATOM   201 N NH2 . ARG A 1 25 ? -2.85412  -5.28816  10.03625 1.000 147.50981 ?  25 ARG AA NH2 1 
ATOM   202 N N   . ALA A 1 26 ? -5.72658  -10.18712 15.11300 1.000 121.52720 ?  26 ALA AA N   1 
ATOM   203 C CA  . ALA A 1 26 ? -5.35241  -10.91993 16.34218 1.000 119.26324 ?  26 ALA AA CA  1 
ATOM   204 C C   . ALA A 1 26 ? -3.83116  -10.81823 16.38634 1.000 120.37171 ?  26 ALA AA C   1 
ATOM   205 O O   . ALA A 1 26 ? -3.16040  -11.71425 15.85721 1.000 116.57507 ?  26 ALA AA O   1 
ATOM   206 C CB  . ALA A 1 26 ? -5.85347  -12.33482 16.30433 1.000 116.97775 ?  26 ALA AA CB  1 
ATOM   207 N N   . GLY A 1 27 ? -3.31144  -9.72384  16.98792 1.000 128.23448 ?  27 GLY AA N   1 
ATOM   208 C CA  . GLY A 1 27 ? -1.87306  -9.57902  17.10717 1.000 124.58144 ?  27 GLY AA CA  1 
ATOM   209 C C   . GLY A 1 27 ? -1.16071  -9.50446  15.76480 1.000 118.59938 ?  27 GLY AA C   1 
ATOM   210 O O   . GLY A 1 27 ? -1.39714  -8.56033  15.00071 1.000 111.34357 ?  27 GLY AA O   1 
ATOM   211 N N   . LYS A 1 28 ? -0.30904  -10.50304 15.45047 1.000 115.56795 ?  28 LYS AA N   1 
ATOM   212 C CA  . LYS A 1 28 ? 0.36420   -10.49344 14.15907 1.000 119.59655 ?  28 LYS AA CA  1 
ATOM   213 C C   . LYS A 1 28 ? -0.42509  -11.26890 13.12392 1.000 118.94821 ?  28 LYS AA C   1 
ATOM   214 O O   . LYS A 1 28 ? -0.07078  -11.25871 11.94671 1.000 122.57220 ?  28 LYS AA O   1 
ATOM   215 C CB  . LYS A 1 28 ? 1.77208   -11.05357 14.28877 1.000 124.69009 ?  28 LYS AA CB  1 
ATOM   216 N N   . ALA A 1 29 ? -1.51122  -11.90790 13.53605 1.000 113.57727 ?  29 ALA AA N   1 
ATOM   217 C CA  . ALA A 1 29 ? -2.31658  -12.76348 12.68184 1.000 107.04491 ?  29 ALA AA CA  1 
ATOM   218 C C   . ALA A 1 29 ? -3.61848  -12.14036 12.28113 1.000 112.72511 ?  29 ALA AA C   1 
ATOM   219 O O   . ALA A 1 29 ? -4.11417  -11.25083 12.95016 1.000 120.32373 ?  29 ALA AA O   1 
ATOM   220 C CB  . ALA A 1 29 ? -2.58607  -14.12649 13.39889 1.000 108.26397 ?  29 ALA AA CB  1 
ATOM   221 N N   . VAL A 1 30 ? -4.11617  -12.60336 11.14206 1.000 104.61113 ?  30 VAL AA N   1 
ATOM   222 C CA  . VAL A 1 30 ? -5.45282  -12.29307 10.62812 1.000 99.38419  ?  30 VAL AA CA  1 
ATOM   223 C C   . VAL A 1 30 ? -6.29239  -13.54443 10.81860 1.000 103.52751 ?  30 VAL AA C   1 
ATOM   224 O O   . VAL A 1 30 ? -5.97503  -14.61366 10.26154 1.000 113.01769 ?  30 VAL AA O   1 
ATOM   225 C CB  . VAL A 1 30 ? -5.43287  -11.89991 9.14742  1.000 97.14437  ?  30 VAL AA CB  1 
ATOM   226 C CG1 . VAL A 1 30 ? -6.77412  -11.42367 8.70662  1.000 112.04288 ?  30 VAL AA CG1 1 
ATOM   227 C CG2 . VAL A 1 30 ? -4.41364  -10.79691 8.91671  1.000 102.77896 ?  30 VAL AA CG2 1 
ATOM   228 N N   . SER A 1 31 ? -7.35163  -13.41881 11.62835 1.000 92.76716  ?  31 SER AA N   1 
ATOM   229 C CA  . SER A 1 31 ? -8.23180  -14.51618 11.94898 1.000 99.41099  ?  31 SER AA CA  1 
ATOM   230 C C   . SER A 1 31 ? -9.50173  -14.26182 11.16996 1.000 110.63253 ?  31 SER AA C   1 
ATOM   231 O O   . SER A 1 31 ? -9.86138  -13.10888 10.96711 1.000 122.70940 ?  31 SER AA O   1 
ATOM   232 C CB  . SER A 1 31 ? -8.44606  -14.59895 13.46805 1.000 93.68580  ?  31 SER AA CB  1 
ATOM   233 O OG  . SER A 1 31 ? -9.27819  -15.69748 13.85165 1.000 91.87898  ?  31 SER AA OG  1 
ATOM   234 N N   . PHE A 1 32 ? -10.17329 -15.32000 10.70050 1.000 110.46680 ?  32 PHE AA N   1 
ATOM   235 C CA  . PHE A 1 32 ? -11.33119 -15.03682 9.85943  1.000 121.79239 ?  32 PHE AA CA  1 
ATOM   236 C C   . PHE A 1 32 ? -12.21288 -16.25182 9.72597  1.000 131.27771 ?  32 PHE AA C   1 
ATOM   237 O O   . PHE A 1 32 ? -11.86502 -17.35990 10.13186 1.000 130.37081 ?  32 PHE AA O   1 
ATOM   238 C CB  . PHE A 1 32 ? -10.86122 -14.65470 8.46146  1.000 117.08360 ?  32 PHE AA CB  1 
ATOM   239 C CG  . PHE A 1 32 ? -10.06197 -15.74385 7.76909  1.000 118.00714 ?  32 PHE AA CG  1 
ATOM   240 C CD1 . PHE A 1 32 ? -10.70359 -16.76691 7.07064  1.000 129.65135 ?  32 PHE AA CD1 1 
ATOM   241 C CD2 . PHE A 1 32 ? -8.68296  -15.75787 7.83224  1.000 105.32109 ?  32 PHE AA CD2 1 
ATOM   242 C CE1 . PHE A 1 32 ? -9.97211  -17.76398 6.44839  1.000 118.93107 ?  32 PHE AA CE1 1 
ATOM   243 C CE2 . PHE A 1 32 ? -7.96247  -16.75091 7.20300  1.000 111.29341 ?  32 PHE AA CE2 1 
ATOM   244 C CZ  . PHE A 1 32 ? -8.60405  -17.75497 6.51557  1.000 111.23382 ?  32 PHE AA CZ  1 
ATOM   245 N N   . THR A 1 33 ? -13.31384 -16.03991 9.04781  1.000 126.38855 ?  33 THR AA N   1 
ATOM   246 C CA  . THR A 1 33 ? -14.34908 -17.02051 8.83163  1.000 136.70910 ?  33 THR AA CA  1 
ATOM   247 C C   . THR A 1 33 ? -14.87653 -16.83323 7.42210  1.000 149.44254 ?  33 THR AA C   1 
ATOM   248 O O   . THR A 1 33 ? -15.00136 -15.69158 6.95511  1.000 150.37558 ?  33 THR AA O   1 
ATOM   249 C CB  . THR A 1 33 ? -15.57317 -16.85161 9.73751  1.000 139.43191 ?  33 THR AA CB  1 
ATOM   250 O OG1 . THR A 1 33 ? -16.42237 -15.85734 9.18883  1.000 149.13813 ?  33 THR AA OG1 1 
ATOM   251 C CG2 . THR A 1 33 ? -15.14836 -16.39965 11.12562 1.000 137.19963 ?  33 THR AA CG2 1 
ATOM   252 N N   . TYR A 1 34 ? -15.46119 -17.92054 6.88957  1.000 154.07235 ?  34 TYR AA N   1 
ATOM   253 C CA  . TYR A 1 34 ? -15.76116 -17.97275 5.47371  1.000 152.87606 ?  34 TYR AA CA  1 
ATOM   254 C C   . TYR A 1 34 ? -16.92531 -18.93916 5.36862  1.000 157.97940 ?  34 TYR AA C   1 
ATOM   255 O O   . TYR A 1 34 ? -17.21541 -19.71229 6.29117  1.000 160.03169 ?  34 TYR AA O   1 
ATOM   256 C CB  . TYR A 1 34 ? -14.62283 -18.49546 4.56760  1.000 158.29704 ?  34 TYR AA CB  1 
ATOM   257 C CG  . TYR A 1 34 ? -14.07061 -19.87689 4.87114  1.000 146.16804 ?  34 TYR AA CG  1 
ATOM   258 C CD1 . TYR A 1 34 ? -14.64742 -21.02421 4.31755  1.000 153.65060 ?  34 TYR AA CD1 1 
ATOM   259 C CD2 . TYR A 1 34 ? -12.99748 -20.05790 5.73434  1.000 145.81218 ?  34 TYR AA CD2 1 
ATOM   260 C CE1 . TYR A 1 34 ? -14.17093 -22.26745 4.57925  1.000 152.02394 ?  34 TYR AA CE1 1 
ATOM   261 C CE2 . TYR A 1 34 ? -12.49205 -21.32920 5.98700  1.000 149.59990 ?  34 TYR AA CE2 1 
ATOM   262 C CZ  . TYR A 1 34 ? -13.08579 -22.44246 5.41546  1.000 151.09624 ?  34 TYR AA CZ  1 
ATOM   263 O OH  . TYR A 1 34 ? -12.62131 -23.68667 5.67016  1.000 143.41573 ?  34 TYR AA OH  1 
ATOM   264 N N   . ASP A 1 35 ? -17.49116 -19.00198 4.17991  1.000 156.72629 ?  35 ASP AA N   1 
ATOM   265 C CA  . ASP A 1 35 ? -18.58224 -19.89442 3.91385  1.000 172.09928 ?  35 ASP AA CA  1 
ATOM   266 C C   . ASP A 1 35 ? -18.15615 -20.97154 2.93371  1.000 172.78799 ?  35 ASP AA C   1 
ATOM   267 O O   . ASP A 1 35 ? -18.03834 -20.71982 1.72784  1.000 172.64684 ?  35 ASP AA O   1 
ATOM   268 C CB  . ASP A 1 35 ? -19.74072 -19.04052 3.40524  1.000 179.26588 ?  35 ASP AA CB  1 
ATOM   269 C CG  . ASP A 1 35 ? -21.04437 -19.77964 3.30943  1.000 186.46254 ?  35 ASP AA CG  1 
ATOM   270 O OD1 . ASP A 1 35 ? -21.77986 -19.82287 4.31083  1.000 188.65437 ?  35 ASP AA OD1 1 
ATOM   271 O OD2 . ASP A 1 35 ? -21.36895 -20.19803 2.18228  1.000 200.24036 ?  35 ASP AA OD2 1 
ATOM   272 N N   . ASP A 1 36 ? -17.99048 -22.19832 3.44361  1.000 181.21729 ?  36 ASP AA N   1 
ATOM   273 C CA  . ASP A 1 36 ? -17.56836 -23.31057 2.62845  1.000 192.43395 ?  36 ASP AA CA  1 
ATOM   274 C C   . ASP A 1 36 ? -18.86205 -23.99950 2.27867  1.000 200.03007 ?  36 ASP AA C   1 
ATOM   275 O O   . ASP A 1 36 ? -19.41719 -24.75297 3.08239  1.000 199.58224 ?  36 ASP AA O   1 
ATOM   276 C CB  . ASP A 1 36 ? -16.51391 -24.21235 3.26608  1.000 180.84892 ?  36 ASP AA CB  1 
ATOM   277 C CG  . ASP A 1 36 ? -16.79183 -24.58293 4.70795  1.000 180.20120 ?  36 ASP AA CG  1 
ATOM   278 O OD1 . ASP A 1 36 ? -17.90390 -24.28794 5.20686  1.000 186.64668 ?  36 ASP AA OD1 1 
ATOM   279 O OD2 . ASP A 1 36 ? -15.88563 -25.13439 5.34595  1.000 165.86666 ?  36 ASP AA OD2 1 
ATOM   280 N N   . ASN A 1 37 ? -19.36205 -23.66446 1.09125  1.000 196.56250 ?  37 ASN AA N   1 
ATOM   281 C CA  . ASN A 1 37 ? -20.72989 -23.93118 0.66485  1.000 204.95928 ?  37 ASN AA CA  1 
ATOM   282 C C   . ASN A 1 37 ? -21.63870 -23.71620 1.86358  1.000 202.63385 ?  37 ASN AA C   1 
ATOM   283 O O   . ASN A 1 37 ? -21.65903 -22.63161 2.43247  1.000 197.66512 ?  37 ASN AA O   1 
ATOM   284 C CB  . ASN A 1 37 ? -20.78325 -25.32758 0.06375  1.000 215.48989 ?  37 ASN AA CB  1 
ATOM   285 C CG  . ASN A 1 37 ? -21.56011 -25.36285 -1.23381 1.000 229.19998 ?  37 ASN AA CG  1 
ATOM   286 O OD1 . ASN A 1 37 ? -21.20015 -24.64786 -2.18045 1.000 225.00146 ?  37 ASN AA OD1 1 
ATOM   287 N ND2 . ASN A 1 37 ? -22.55901 -26.22064 -1.32191 1.000 246.30035 ?  37 ASN AA ND2 1 
ATOM   288 N N   . GLY A 1 38 ? -22.33560 -24.73209 2.33317  1.000 208.90134 ?  38 GLY AA N   1 
ATOM   289 C CA  . GLY A 1 38 ? -23.33248 -24.50379 3.37696  1.000 212.38069 ?  38 GLY AA CA  1 
ATOM   290 C C   . GLY A 1 38 ? -22.71694 -24.16921 4.72686  1.000 199.57891 ?  38 GLY AA C   1 
ATOM   291 O O   . GLY A 1 38 ? -23.18959 -23.27577 5.44087  1.000 198.72810 ?  38 GLY AA O   1 
ATOM   292 N N   . LYS A 1 39 ? -21.64119 -24.85081 5.08366  1.000 206.92619 ?  39 LYS AA N   1 
ATOM   293 C CA  . LYS A 1 39 ? -21.11497 -24.66303 6.42249  1.000 197.96061 ?  39 LYS AA CA  1 
ATOM   294 C C   . LYS A 1 39 ? -20.23424 -23.41700 6.51998  1.000 185.32637 ?  39 LYS AA C   1 
ATOM   295 O O   . LYS A 1 39 ? -19.94636 -22.73181 5.53036  1.000 184.23351 ?  39 LYS AA O   1 
ATOM   296 C CB  . LYS A 1 39 ? -20.33533 -25.89108 6.88102  1.000 191.08015 ?  39 LYS AA CB  1 
ATOM   297 N N   . THR A 1 40 ? -19.82085 -23.11689 7.75197  1.000 182.93135 ?  40 THR AA N   1 
ATOM   298 C CA  . THR A 1 40 ? -18.91028 -22.01009 8.05732  1.000 173.98171 ?  40 THR AA CA  1 
ATOM   299 C C   . THR A 1 40 ? -17.59626 -22.59629 8.52005  1.000 174.01979 ?  40 THR AA C   1 
ATOM   300 O O   . THR A 1 40 ? -17.57668 -23.49702 9.35931  1.000 179.43351 ?  40 THR AA O   1 
ATOM   301 C CB  . THR A 1 40 ? -19.47864 -21.08876 9.15642  1.000 179.33372 ?  40 THR AA CB  1 
ATOM   302 N N   . GLY A 1 41 ? -16.51855 -22.10814 7.94780  1.000 161.15670 ?  41 GLY AA N   1 
ATOM   303 C CA  . GLY A 1 41 ? -15.20033 -22.57627 8.31362  1.000 148.75414 ?  41 GLY AA CA  1 
ATOM   304 C C   . GLY A 1 41 ? -14.33158 -21.43253 8.79503  1.000 146.80927 ?  41 GLY AA C   1 
ATOM   305 O O   . GLY A 1 41 ? -14.65025 -20.26761 8.51717  1.000 147.54803 ?  41 GLY AA O   1 
ATOM   306 N N   . ARG A 1 42 ? -13.25281 -21.74744 9.52612  1.000 135.00534 ?  42 ARG AA N   1 
ATOM   307 C CA  . ARG A 1 42 ? -12.50721 -20.74565 10.27549 1.000 119.72415 ?  42 ARG AA CA  1 
ATOM   308 C C   . ARG A 1 42 ? -11.04483 -20.93048 9.89246  1.000 114.76716 ?  42 ARG AA C   1 
ATOM   309 O O   . ARG A 1 42 ? -10.59843 -22.04717 9.56128  1.000 121.74559 ?  42 ARG AA O   1 
ATOM   310 C CB  . ARG A 1 42 ? -12.65663 -20.91058 11.81245 1.000 121.96401 ?  42 ARG AA CB  1 
ATOM   311 C CG  . ARG A 1 42 ? -13.98725 -20.42818 12.38564 1.000 138.35923 ?  42 ARG AA CG  1 
ATOM   312 C CD  . ARG A 1 42 ? -14.18509 -20.76796 13.86349 1.000 131.66950 ?  42 ARG AA CD  1 
ATOM   313 N NE  . ARG A 1 42 ? -14.70415 -19.61045 14.61274 1.000 116.60857 ?  42 ARG AA NE  1 
ATOM   314 C CZ  . ARG A 1 42 ? -14.02260 -18.49311 14.85024 1.000 125.17886 ?  42 ARG AA CZ  1 
ATOM   315 N NH1 . ARG A 1 42 ? -12.80747 -18.29733 14.37567 1.000 125.94741 ?  42 ARG AA NH1 1 
ATOM   316 N NH2 . ARG A 1 42 ? -14.59609 -17.51242 15.52239 1.000 128.43609 ?  42 ARG AA NH2 1 
ATOM   317 N N   . GLY A 1 43 ? -10.29046 -19.84615 9.95188  1.000 116.74563 ?  43 GLY AA N   1 
ATOM   318 C CA  . GLY A 1 43 ? -8.91299  -19.96975 9.50795  1.000 118.48846 ?  43 GLY AA CA  1 
ATOM   319 C C   . GLY A 1 43 ? -8.14409  -18.71768 9.85851  1.000 109.95678 ?  43 GLY AA C   1 
ATOM   320 O O   . GLY A 1 43 ? -8.68670  -17.75394 10.38862 1.000 110.40401 ?  43 GLY AA O   1 
ATOM   321 N N   . ALA A 1 44 ? -6.86628  -18.71817 9.53974  1.000 93.08726  ?  44 ALA AA N   1 
ATOM   322 C CA  . ALA A 1 44 ? -6.05361  -17.57018 9.87318  1.000 92.48387  ?  44 ALA AA CA  1 
ATOM   323 C C   . ALA A 1 44 ? -4.72927  -17.67143 9.14330  1.000 98.84963  ?  44 ALA AA C   1 
ATOM   324 O O   . ALA A 1 44 ? -4.29686  -18.75902 8.71515  1.000 111.95682 ?  44 ALA AA O   1 
ATOM   325 C CB  . ALA A 1 44 ? -5.82453  -17.48989 11.37111 1.000 92.19792  ?  44 ALA AA CB  1 
ATOM   326 N N   . VAL A 1 45 ? -4.08587  -16.51871 9.01085  1.000 96.08121  ?  45 VAL AA N   1 
ATOM   327 C CA  . VAL A 1 45 ? -2.76003  -16.42907 8.41612  1.000 107.20463 ?  45 VAL AA CA  1 
ATOM   328 C C   . VAL A 1 45 ? -2.05815  -15.27411 9.07264  1.000 110.95516 ?  45 VAL AA C   1 
ATOM   329 O O   . VAL A 1 45 ? -2.67699  -14.44730 9.71369  1.000 114.02005 ?  45 VAL AA O   1 
ATOM   330 C CB  . VAL A 1 45 ? -2.78642  -16.17476 6.87734  1.000 107.04379 ?  45 VAL AA CB  1 
ATOM   331 C CG1 . VAL A 1 45 ? -3.83366  -17.01392 6.15129  1.000 99.76106  ?  45 VAL AA CG1 1 
ATOM   332 C CG2 . VAL A 1 45 ? -3.02641  -14.69702 6.60769  1.000 94.85957  ?  45 VAL AA CG2 1 
ATOM   333 N N   . SER A 1 46 ? -0.76508  -15.18272 8.86993  1.000 108.24345 ?  46 SER AA N   1 
ATOM   334 C CA  . SER A 1 46 ? -0.03834  -14.07476 9.45840  1.000 112.26466 ?  46 SER AA CA  1 
ATOM   335 C C   . SER A 1 46 ? -0.23120  -12.84066 8.61552  1.000 119.22196 ?  46 SER AA C   1 
ATOM   336 O O   . SER A 1 46 ? -0.33611  -12.91844 7.39152  1.000 124.03046 ?  46 SER AA O   1 
ATOM   337 C CB  . SER A 1 46 ? 1.46609   -14.37909 9.58124  1.000 120.98985 ?  46 SER AA CB  1 
ATOM   338 O OG  . SER A 1 46 ? 2.09106   -14.04042 8.33314  1.000 133.01716 ?  46 SER AA OG  1 
ATOM   339 N N   . GLU A 1 47 ? -0.19931  -11.68025 9.26544  1.000 124.09088 ?  47 GLU AA N   1 
ATOM   340 C CA  . GLU A 1 47 ? -0.39511  -10.44823 8.53156  1.000 128.75809 ?  47 GLU AA CA  1 
ATOM   341 C C   . GLU A 1 47 ? 0.71566   -10.26678 7.50804  1.000 131.87206 ?  47 GLU AA C   1 
ATOM   342 O O   . GLU A 1 47 ? 0.48645   -9.61246  6.48971  1.000 137.39665 ?  47 GLU AA O   1 
ATOM   343 C CB  . GLU A 1 47 ? -0.45397  -9.26089  9.49757  1.000 127.55896 ?  47 GLU AA CB  1 
ATOM   344 C CG  . GLU A 1 47 ? -0.20554  -7.93987  8.82449  1.000 136.57436 ?  47 GLU AA CG  1 
ATOM   345 C CD  . GLU A 1 47 ? 1.22959   -7.48015  9.06500  1.000 150.95825 ?  47 GLU AA CD  1 
ATOM   346 O OE1 . GLU A 1 47 ? 1.77056   -7.79818  10.13542 1.000 156.41818 ?  47 GLU AA OE1 1 
ATOM   347 O OE2 . GLU A 1 47 ? 1.80844   -6.83166  8.16218  1.000 161.70999 ?  47 GLU AA OE2 1 
ATOM   348 N N   . LYS A 1 48 ? 1.87547   -10.88144 7.70984  1.000 124.18458 ?  48 LYS AA N   1 
ATOM   349 C CA  . LYS A 1 48 ? 2.95737   -10.66701 6.77936  1.000 120.88384 ?  48 LYS AA CA  1 
ATOM   350 C C   . LYS A 1 48 ? 2.68206   -11.36635 5.45796  1.000 129.64855 ?  48 LYS AA C   1 
ATOM   351 O O   . LYS A 1 48 ? 2.84672   -10.76083 4.39435  1.000 137.27901 ?  48 LYS AA O   1 
ATOM   352 C CB  . LYS A 1 48 ? 4.28367   -11.17338 7.41315  1.000 121.42655 ?  48 LYS AA CB  1 
ATOM   353 N N   . ASP A 1 49 ? 2.33030   -12.66262 5.48811  1.000 119.29630 ?  49 ASP AA N   1 
ATOM   354 C CA  . ASP A 1 49 ? 1.86995   -13.42067 4.30677  1.000 120.63628 ?  49 ASP AA CA  1 
ATOM   355 C C   . ASP A 1 49 ? 0.48125   -13.10619 3.69087  1.000 129.72949 ?  49 ASP AA C   1 
ATOM   356 O O   . ASP A 1 49 ? -0.02592  -13.89746 2.90853  1.000 144.24087 ?  49 ASP AA O   1 
ATOM   357 C CB  . ASP A 1 49 ? 1.87096   -14.89592 4.60457  1.000 118.98307 ?  49 ASP AA CB  1 
ATOM   358 C CG  . ASP A 1 49 ? 3.11747   -15.35325 5.40645  1.000 131.48817 ?  49 ASP AA CG  1 
ATOM   359 O OD1 . ASP A 1 49 ? 4.16073   -14.71434 5.22134  1.000 139.12689 ?  49 ASP AA OD1 1 
ATOM   360 O OD2 . ASP A 1 49 ? 3.00781   -16.34064 6.16871  1.000 135.66872 ?  49 ASP AA OD2 1 
ATOM   361 N N   . ALA A 1 50 ? -0.12701  -11.91912 3.99720  1.000 120.75674 ?  50 ALA AA N   1 
ATOM   362 C CA  . ALA A 1 50 ? -1.49213  -11.83580 3.51209  1.000 129.06995 ?  50 ALA AA CA  1 
ATOM   363 C C   . ALA A 1 50 ? -1.65930  -11.08137 2.20181  1.000 135.47353 ?  50 ALA AA C   1 
ATOM   364 O O   . ALA A 1 50 ? -0.97231  -10.08465 1.96121  1.000 139.17911 ?  50 ALA AA O   1 
ATOM   365 C CB  . ALA A 1 50 ? -2.39912  -11.18868 4.54217  1.000 129.74706 ?  50 ALA AA CB  1 
ATOM   366 N N   . PRO A 1 51 ? -2.54481  -11.52173 1.28798  1.000 124.77676 ?  51 PRO AA N   1 
ATOM   367 C CA  . PRO A 1 51 ? -2.72699  -10.78429 0.01069  1.000 128.77380 ?  51 PRO AA CA  1 
ATOM   368 C C   . PRO A 1 51 ? -3.38396  -9.45613  0.32017  1.000 138.94090 ?  51 PRO AA C   1 
ATOM   369 O O   . PRO A 1 51 ? -4.11209  -9.33337  1.31271  1.000 138.43516 ?  51 PRO AA O   1 
ATOM   370 C CB  . PRO A 1 51 ? -3.66147  -11.69961 -0.82149 1.000 130.71005 ?  51 PRO AA CB  1 
ATOM   371 C CG  . PRO A 1 51 ? -4.24491  -12.65117 0.17309  1.000 131.58230 ?  51 PRO AA CG  1 
ATOM   372 C CD  . PRO A 1 51 ? -3.24863  -12.82419 1.25135  1.000 124.86047 ?  51 PRO AA CD  1 
ATOM   373 N N   . LYS A 1 52 ? -3.12536  -8.46998  -0.54018 1.000 138.83722 ?  52 LYS AA N   1 
ATOM   374 C CA  . LYS A 1 52 ? -3.63933  -7.13309  -0.27578 1.000 141.04951 ?  52 LYS AA CA  1 
ATOM   375 C C   . LYS A 1 52 ? -5.15516  -7.09696  -0.12084 1.000 142.32310 ?  52 LYS AA C   1 
ATOM   376 O O   . LYS A 1 52 ? -5.67895  -6.29248  0.67013  1.000 141.71273 ?  52 LYS AA O   1 
ATOM   377 C CB  . LYS A 1 52 ? -3.16294  -6.17722  -1.37829 1.000 148.06010 ?  52 LYS AA CB  1 
ATOM   378 C CG  . LYS A 1 52 ? -3.69082  -4.76018  -1.25382 1.000 150.86620 ?  52 LYS AA CG  1 
ATOM   379 C CD  . LYS A 1 52 ? -3.37489  -3.97184  -2.50837 1.000 153.55852 ?  52 LYS AA CD  1 
ATOM   380 C CE  . LYS A 1 52 ? -3.76666  -2.51412  -2.34695 1.000 160.17095 ?  52 LYS AA CE  1 
ATOM   381 N NZ  . LYS A 1 52 ? -5.22929  -2.33596  -2.36692 1.000 164.25290 ?  52 LYS AA NZ  1 
ATOM   382 N N   . GLU A 1 53 ? -5.88143  -7.94480  -0.85609 1.000 146.65714 ?  53 GLU AA N   1 
ATOM   383 C CA  . GLU A 1 53 ? -7.33719  -7.84872  -0.80413 1.000 145.87408 ?  53 GLU AA CA  1 
ATOM   384 C C   . GLU A 1 53 ? -7.85714  -8.21273  0.58088  1.000 138.00992 ?  53 GLU AA C   1 
ATOM   385 O O   . GLU A 1 53 ? -8.78040  -7.55417  1.11198  1.000 140.52060 ?  53 GLU AA O   1 
ATOM   386 C CB  . GLU A 1 53 ? -7.97777  -8.75249  -1.85848 1.000 144.25113 ?  53 GLU AA CB  1 
ATOM   387 C CG  . GLU A 1 53 ? -9.43408  -8.96758  -1.58878 1.000 151.15905 ?  53 GLU AA CG  1 
ATOM   388 C CD  . GLU A 1 53 ? -10.32180 -7.79936  -1.96729 1.000 160.40935 ?  53 GLU AA CD  1 
ATOM   389 O OE1 . GLU A 1 53 ? -9.81740  -6.65737  -2.05267 1.000 165.75385 ?  53 GLU AA OE1 1 
ATOM   390 O OE2 . GLU A 1 53 ? -11.54035 -8.01462  -2.11573 1.000 168.14145 ?  53 GLU AA OE2 1 
ATOM   391 N N   . LEU A 1 54 ? -7.25197  -9.23853  1.19168  1.000 133.68982 ?  54 LEU AA N   1 
ATOM   392 C CA  . LEU A 1 54 ? -7.57585  -9.57295  2.57261  1.000 131.45592 ?  54 LEU AA CA  1 
ATOM   393 C C   . LEU A 1 54 ? -7.37670  -8.36312  3.48647  1.000 130.47897 ?  54 LEU AA C   1 
ATOM   394 O O   . LEU A 1 54 ? -8.28446  -8.00982  4.28131  1.000 134.85971 ?  54 LEU AA O   1 
ATOM   395 C CB  . LEU A 1 54 ? -6.76317  -10.77406 3.00614  1.000 130.09818 ?  54 LEU AA CB  1 
ATOM   396 C CG  . LEU A 1 54 ? -7.09248  -11.31049 4.40390  1.000 127.86345 ?  54 LEU AA CG  1 
ATOM   397 C CD1 . LEU A 1 54 ? -8.47382  -11.91145 4.32125  1.000 128.51921 ?  54 LEU AA CD1 1 
ATOM   398 C CD2 . LEU A 1 54 ? -6.08155  -12.38396 4.77742  1.000 126.65305 ?  54 LEU AA CD2 1 
ATOM   399 N N   . LEU A 1 55 ? -6.19436  -7.71358  3.39029  1.000 131.90673 ?  55 LEU AA N   1 
ATOM   400 C CA  . LEU A 1 55 ? -5.84657  -6.69012  4.36691  1.000 133.94978 ?  55 LEU AA CA  1 
ATOM   401 C C   . LEU A 1 55 ? -6.72501  -5.45511  4.21645  1.000 143.92647 ?  55 LEU AA C   1 
ATOM   402 O O   . LEU A 1 55 ? -7.09804  -4.81511  5.20619  1.000 146.34421 ?  55 LEU AA O   1 
ATOM   403 C CB  . LEU A 1 55 ? -4.37994  -6.34613  4.19031  1.000 128.79431 ?  55 LEU AA CB  1 
ATOM   404 C CG  . LEU A 1 55 ? -3.41718  -7.48246  4.50480  1.000 124.95032 ?  55 LEU AA CG  1 
ATOM   405 C CD1 . LEU A 1 55 ? -2.02601  -7.24198  3.93016  1.000 139.63500 ?  55 LEU AA CD1 1 
ATOM   406 C CD2 . LEU A 1 55 ? -3.37170  -7.67977  6.00661  1.000 118.73093 ?  55 LEU AA CD2 1 
ATOM   407 N N   . ASP A 1 56 ? -7.03797  -5.08843  2.97993  1.000 145.35982 ?  56 ASP AA N   1 
ATOM   408 C CA  . ASP A 1 56 ? -8.14517  -4.17383  2.71635  1.000 143.06543 ?  56 ASP AA CA  1 
ATOM   409 C C   . ASP A 1 56 ? -9.43562  -4.58064  3.42279  1.000 143.55592 ?  56 ASP AA C   1 
ATOM   410 O O   . ASP A 1 56 ? -10.07442 -3.73879  4.06887  1.000 145.39173 ?  56 ASP AA O   1 
ATOM   411 C CB  . ASP A 1 56 ? -8.35088  -4.07916  1.20255  1.000 144.23024 ?  56 ASP AA CB  1 
ATOM   412 C CG  . ASP A 1 56 ? -7.18484  -3.40211  0.52539  1.000 154.60851 ?  56 ASP AA CG  1 
ATOM   413 O OD1 . ASP A 1 56 ? -6.21656  -3.02280  1.27512  1.000 153.17187 ?  56 ASP AA OD1 1 
ATOM   414 O OD2 . ASP A 1 56 ? -7.17830  -3.27213  -0.69950 1.000 161.03070 ?  56 ASP AA OD2 1 
ATOM   415 N N   . MET A 1 57 ? -9.90941  -5.82346  3.22107  1.000 142.92488 ?  57 MET AA N   1 
ATOM   416 C CA  . MET A 1 57 ? -11.08500 -6.30253  3.96139  1.000 138.81510 ?  57 MET AA CA  1 
ATOM   417 C C   . MET A 1 57 ? -10.95555 -6.05304  5.47051  1.000 139.49606 ?  57 MET AA C   1 
ATOM   418 O O   . MET A 1 57 ? -11.92725 -5.63549  6.12944  1.000 144.98177 ?  57 MET AA O   1 
ATOM   419 C CB  . MET A 1 57 ? -11.31735 -7.78181  3.68032  1.000 134.89574 ?  57 MET AA CB  1 
ATOM   420 N N   . LEU A 1 58 ? -9.73861  -6.23810  6.02363  1.000 141.40421 ?  58 LEU AA N   1 
ATOM   421 C CA  . LEU A 1 58 ? -9.53027  -6.01871  7.45068  1.000 140.92501 ?  58 LEU AA CA  1 
ATOM   422 C C   . LEU A 1 58 ? -9.64492  -4.56176  7.81894  1.000 145.83408 ?  58 LEU AA C   1 
ATOM   423 O O   . LEU A 1 58 ? -10.20956 -4.22740  8.87255  1.000 153.33197 ?  58 LEU AA O   1 
ATOM   424 C CB  . LEU A 1 58 ? -8.17320  -6.57197  7.86841  1.000 131.16948 ?  58 LEU AA CB  1 
ATOM   425 C CG  . LEU A 1 58 ? -7.87300  -6.43383  9.36635  1.000 127.30600 ?  58 LEU AA CG  1 
ATOM   426 C CD1 . LEU A 1 58 ? -9.03838  -6.86206  10.26570 1.000 134.19979 ?  58 LEU AA CD1 1 
ATOM   427 C CD2 . LEU A 1 58 ? -6.56832  -7.15594  9.74497  1.000 119.96143 ?  58 LEU AA CD2 1 
ATOM   428 N N   . ALA A 1 59 ? -9.12252  -3.67220  6.97635  1.000 144.74388 ?  59 ALA AA N   1 
ATOM   429 C CA  . ALA A 1 59 ? -9.23427  -2.25924  7.32656  1.000 150.68672 ?  59 ALA AA CA  1 
ATOM   430 C C   . ALA A 1 59 ? -10.69237 -1.81203  7.23881  1.000 156.86436 ?  59 ALA AA C   1 
ATOM   431 O O   . ALA A 1 59 ? -11.17517 -1.02567  8.07474  1.000 155.78218 ?  59 ALA AA O   1 
ATOM   432 C CB  . ALA A 1 59 ? -8.36601  -1.41335  6.40873  1.000 152.74479 ?  59 ALA AA CB  1 
ATOM   433 N N   . ARG A 1 60 ? -11.41311 -2.34368  6.25081  1.000 154.21916 ?  60 ARG AA N   1 
ATOM   434 C CA  . ARG A 1 60 ? -12.84158 -2.05950  6.11590  1.000 160.47084 ?  60 ARG AA CA  1 
ATOM   435 C C   . ARG A 1 60 ? -13.63877 -2.49079  7.34603  1.000 161.24895 ?  60 ARG AA C   1 
ATOM   436 O O   . ARG A 1 60 ? -14.53494 -1.76722  7.79216  1.000 168.59774 ?  60 ARG AA O   1 
ATOM   437 C CB  . ARG A 1 60 ? -13.40182 -2.74928  4.86868  1.000 157.94278 ?  60 ARG AA CB  1 
ATOM   438 N N   . ALA A 1 61 ? -13.37498 -3.67680  7.88891  1.000 157.97321 ?  61 ALA AA N   1 
ATOM   439 C CA  . ALA A 1 61 ? -14.07413 -4.08529  9.10700  1.000 162.72549 ?  61 ALA AA CA  1 
ATOM   440 C C   . ALA A 1 61 ? -13.68467 -3.29213  10.34441 1.000 164.21672 ?  61 ALA AA C   1 
ATOM   441 O O   . ALA A 1 61 ? -14.40121 -3.35941  11.34779 1.000 157.46730 ?  61 ALA AA O   1 
ATOM   442 C CB  . ALA A 1 61 ? -13.85811 -5.55398  9.38267  1.000 155.41496 ?  61 ALA AA CB  1 
ATOM   443 N N   . GLU A 1 62 ? -12.60202 -2.51242  10.30439 1.000 164.16030 ?  62 GLU AA N   1 
ATOM   444 C CA  . GLU A 1 62 ? -12.28842 -1.61600  11.41593 1.000 167.52895 ?  62 GLU AA CA  1 
ATOM   445 C C   . GLU A 1 62 ? -12.92154 -0.22850  11.25345 1.000 175.74742 ?  62 GLU AA C   1 
ATOM   446 O O   . GLU A 1 62 ? -12.81722 0.58953   12.17605 1.000 176.60776 ?  62 GLU AA O   1 
ATOM   447 C CB  . GLU A 1 62 ? -10.74008 -1.52051  11.64108 1.000 153.73850 ?  62 GLU AA CB  1 
ATOM   448 C CG  . GLU A 1 62 ? -10.09693 -2.92712  11.92254 1.000 147.08262 ?  62 GLU AA CG  1 
ATOM   449 C CD  . GLU A 1 62 ? -8.54111  -2.97735  11.78756 1.000 157.36831 ?  62 GLU AA CD  1 
ATOM   450 O OE1 . GLU A 1 62 ? -7.99221  -2.72266  10.71344 1.000 156.43321 ?  62 GLU AA OE1 1 
ATOM   451 O OE2 . GLU A 1 62 ? -7.90035  -3.37455  12.79785 1.000 151.04212 ?  62 GLU AA OE2 1 
ATOM   452 N N   . ARG A 1 63 ? -13.58065 0.04184   10.11306 1.000 170.73537 ?  63 ARG AA N   1 
ATOM   453 C CA  . ARG A 1 63 ? -14.31115 1.27963   9.84651  1.000 165.46060 ?  63 ARG AA CA  1 
ATOM   454 C C   . ARG A 1 63 ? -13.34771 2.44365   9.74888  1.000 174.72316 ?  63 ARG AA C   1 
ATOM   455 O O   . ARG A 1 63 ? -12.71691 2.64314   8.70366  1.000 172.45975 ?  63 ARG AA O   1 
ATOM   456 C CB  . ARG A 1 63 ? -15.38481 1.61209   10.88843 1.000 166.36217 ?  63 ARG AA CB  1 
ATOM   457 C CG  . ARG A 1 63 ? -16.62573 0.71273   10.92145 1.000 167.46858 ?  63 ARG AA CG  1 
ATOM   458 C CD  . ARG A 1 63 ? -16.30089 -0.51560  11.70225 1.000 173.11560 ?  63 ARG AA CD  1 
ATOM   459 N NE  . ARG A 1 63 ? -15.48739 -0.14430  12.86406 1.000 176.23504 ?  63 ARG AA NE  1 
ATOM   460 C CZ  . ARG A 1 63 ? -15.95109 0.11771   14.08156 1.000 177.33575 ?  63 ARG AA CZ  1 
ATOM   461 N NH1 . ARG A 1 63 ? -17.25712 0.03331   14.33328 1.000 164.07819 ?  63 ARG AA NH1 1 
ATOM   462 N NH2 . ARG A 1 63 ? -15.07566 0.51105   15.04035 1.000 176.14351 ?  63 ARG AA NH2 1 
HETATM 463 N N   . DBU B 2 1  ? 17.72675  -30.70363 15.98700 1.000 79.30405  ?  1  DBU B  N   1 
HETATM 464 C CA  . DBU B 2 1  ? 17.09700  -31.64200 17.00200 1.000 77.86405  ?  1  DBU B  CA  1 
HETATM 465 C CB  . DBU B 2 1  ? 16.86400  -31.82600 18.22700 1.000 77.59405  ?  1  DBU B  CB  1 
HETATM 466 C CG  . DBU B 2 1  ? 17.72675  -30.70363 18.96800 1.000 80.45405  ?  1  DBU B  CG  1 
HETATM 467 C C   . DBU B 2 1  ? 16.31000  -32.70200 16.26500 1.000 81.37405  ?  1  DBU B  C   1 
HETATM 468 O O   . DBU B 2 1  ? 15.92300  -33.72800 16.87700 1.000 77.87405  ?  1  DBU B  O   1 
HETATM 469 C C   . V4F B 2 2  ? 15.70100  -28.32700 15.26800 1.000 86.81405  ?  2  V4F B  C   1 
HETATM 470 C CAF . V4F B 2 2  ? 16.04200  -29.14000 11.61600 1.000 98.05405  ?  2  V4F B  CAF 1 
HETATM 471 C CAD . V4F B 2 2  ? 16.03800  -28.35900 12.80100 1.000 92.08405  ?  2  V4F B  CAD 1 
HETATM 472 C CAE . V4F B 2 2  ? 15.80000  -28.98900 14.03300 1.000 96.59405  ?  2  V4F B  CAE 1 
HETATM 473 C CAL . V4F B 2 2  ? 15.88900  -30.49100 11.71800 1.000 97.09405  ?  2  V4F B  CAL 1 
HETATM 474 C CAM . V4F B 2 2  ? 15.65700  -31.12600 12.94200 1.000 96.98405  ?  2  V4F B  CAM 1 
HETATM 475 C CAJ . V4F B 2 2  ? 15.46700  -32.51400 12.91000 1.000 94.79405  ?  2  V4F B  CAJ 1 
HETATM 476 C CAK . V4F B 2 2  ? 15.55500  -33.21800 11.71800 1.000 93.18405  ?  2  V4F B  CAK 1 
HETATM 477 C CAG . V4F B 2 2  ? 15.77900  -32.59000 10.51000 1.000 99.54405  ?  2  V4F B  CAG 1 
HETATM 478 C CAI . V4F B 2 2  ? 15.94900  -31.20700 10.53100 1.000 99.09405  ?  2  V4F B  CAI 1 
HETATM 479 C C01 . V4F B 2 2  ? 16.57900  -27.51600 9.77400  1.000 118.06405 ?  2  V4F B  C01 1 
HETATM 480 C CA  . V4F B 2 2  ? 15.29500  -33.22600 14.05000 1.000 91.73405  ?  2  V4F B  CA  1 
HETATM 481 N NAH . V4F B 2 2  ? 15.56800  -30.33600 14.03100 1.000 90.47405  ?  2  V4F B  NAH 1 
HETATM 482 N N   . V4F B 2 2  ? 16.04100  -32.40900 15.03100 1.000 91.87405  ?  2  V4F B  N   1 
HETATM 483 O O   . V4F B 2 2  ? 16.22000  -27.23600 15.47000 1.000 79.42405  ?  2  V4F B  O   1 
HETATM 484 O O01 . V4F B 2 2  ? 16.26500  -28.80800 10.30100 1.000 109.64405 ?  2  V4F B  O01 1 
HETATM 485 O O3  . V4F B 2 2  ? 15.17100  -26.38300 8.05500  1.000 128.78405 -1 2  V4F B  O3  1 
HETATM 486 O O2  . V4F B 2 2  ? 15.63800  -28.72100 7.49200  1.000 107.05405 -1 2  V4F B  O2  1 
HETATM 487 O O1  . V4F B 2 2  ? 17.48600  -27.04500 7.32400  1.000 122.77405 ?  2  V4F B  O1  1 
HETATM 488 P P   . V4F B 2 2  ? 16.21300  -27.42900 7.95400  1.000 129.64405 ?  2  V4F B  P   1 
HETATM 489 C C   . V53 B 2 3  ? 12.27300  -32.85200 17.50400 1.000 81.89405  ?  3  V53 B  C   1 
HETATM 490 C CAF . V53 B 2 3  ? 13.34100  -30.81400 20.37600 1.000 89.27405  ?  3  V53 B  CAF 1 
HETATM 491 C CAD . V53 B 2 3  ? 12.58600  -31.65200 19.55500 1.000 82.17405  ?  3  V53 B  CAD 1 
HETATM 492 C CAJ . V53 B 2 3  ? 12.86600  -31.80800 18.21700 1.000 81.25405  ?  3  V53 B  CAJ 1 
HETATM 493 C CAL . V53 B 2 3  ? 13.95000  -29.72300 19.65000 1.000 81.35405  ?  3  V53 B  CAL 1 
HETATM 494 C CAM . V53 B 2 3  ? 14.09900  -29.82700 18.25000 1.000 81.23405  ?  3  V53 B  CAM 1 
HETATM 495 C CA  . V53 B 2 3  ? 14.78300  -28.80900 17.51300 1.000 80.67405  ?  3  V53 B  CA  1 
HETATM 496 C CAK . V53 B 2 3  ? 15.46600  -27.78400 18.14800 1.000 80.06405  ?  3  V53 B  CAK 1 
HETATM 497 C CAG . V53 B 2 3  ? 15.34800  -27.64200 19.50100 1.000 80.99405  ?  3  V53 B  CAG 1 
HETATM 498 C CAI . V53 B 2 3  ? 14.61700  -28.57100 20.12400 1.000 81.46405  ?  3  V53 B  CAI 1 
HETATM 499 C C01 . V53 B 2 3  ? 14.01600  -29.92400 22.33900 1.000 92.29405  ?  3  V53 B  C01 1 
HETATM 500 N NAH . V53 B 2 3  ? 13.52500  -30.82600 17.56800 1.000 80.60405  ?  3  V53 B  NAH 1 
HETATM 501 N N   . V53 B 2 3  ? 15.05200  -29.11000 16.23900 1.000 82.27405  ?  3  V53 B  N   1 
HETATM 502 O O   . V53 B 2 3  ? 11.78900  -33.82600 18.06800 1.000 82.59405  ?  3  V53 B  O   1 
HETATM 503 O O01 . V53 B 2 3  ? 12.96800  -30.78700 21.78300 1.000 102.57405 ?  3  V53 B  O01 1 
HETATM 504 O O1  . V53 B 2 3  ? 15.19700  -27.95300 23.04300 1.000 89.29405  -1 3  V53 B  O1  1 
HETATM 505 O O2  . V53 B 2 3  ? 14.63200  -29.69300 24.72400 1.000 91.91405  -1 3  V53 B  O2  1 
HETATM 506 O O3  . V53 B 2 3  ? 12.82100  -28.28500 23.71700 1.000 118.43405 ?  3  V53 B  O3  1 
HETATM 507 P P   . V53 B 2 3  ? 14.13000  -28.82200 23.57900 1.000 111.55405 ?  3  V53 B  P   1 
HETATM 508 C C   . V4F B 2 4  ? 12.54300  -28.63400 13.74500 1.000 93.88405  ?  4  V4F B  C   1 
HETATM 509 C CAF . V4F B 2 4  ? 12.50300  -31.25700 11.09800 1.000 100.83405 ?  4  V4F B  CAF 1 
HETATM 510 C CAD . V4F B 2 4  ? 12.55000  -29.97200 11.68800 1.000 97.04405  ?  4  V4F B  CAD 1 
HETATM 511 C CAE . V4F B 2 4  ? 12.40400  -29.86300 13.06800 1.000 95.01405  ?  4  V4F B  CAE 1 
HETATM 512 C CAL . V4F B 2 4  ? 12.27200  -32.35100 11.87700 1.000 98.52405  ?  4  V4F B  CAL 1 
HETATM 513 C CAM . V4F B 2 4  ? 12.19300  -32.26400 13.27300 1.000 90.98405  ?  4  V4F B  CAM 1 
HETATM 514 C CAJ . V4F B 2 4  ? 11.83800  -33.45600 13.98400 1.000 85.90405  ?  4  V4F B  CAJ 1 
HETATM 515 C CAK . V4F B 2 4  ? 11.84900  -34.65900 13.30100 1.000 93.38405  ?  4  V4F B  CAK 1 
HETATM 516 C CAG . V4F B 2 4  ? 11.99500  -34.75800 11.91800 1.000 102.81405 ?  4  V4F B  CAG 1 
HETATM 517 C CAI . V4F B 2 4  ? 12.20600  -33.57600 11.21200 1.000 100.88405 ?  4  V4F B  CAI 1 
HETATM 518 C C01 . V4F B 2 4  ? 12.75200  -30.67900 8.67600  1.000 117.77405 ?  4  V4F B  C01 1 
HETATM 519 C CA  . V4F B 2 4  ? 11.77300  -33.64800 15.34500 1.000 85.19405  ?  4  V4F B  CA  1 
HETATM 520 N NAH . V4F B 2 4  ? 12.16300  -31.00400 13.80700 1.000 90.95405  ?  4  V4F B  NAH 1 
HETATM 521 N N   . V4F B 2 4  ? 12.32200  -32.69000 16.14400 1.000 82.77405  ?  4  V4F B  N   1 
HETATM 522 O O   . V4F B 2 4  ? 13.05400  -27.69400 13.18500 1.000 89.94405  ?  4  V4F B  O   1 
HETATM 523 O O01 . V4F B 2 4  ? 12.59300  -31.59800 9.76900  1.000 109.13405 ?  4  V4F B  O01 1 
HETATM 524 O O3  . V4F B 2 4  ? 14.35000  -31.66900 6.80700  1.000 125.40405 -1 4  V4F B  O3  1 
HETATM 525 O O2  . V4F B 2 4  ? 12.39800  -32.96800 7.44800  1.000 119.08405 -1 4  V4F B  O2  1 
HETATM 526 O O1  . V4F B 2 4  ? 12.07200  -30.81900 6.20100  1.000 138.66405 ?  4  V4F B  O1  1 
HETATM 527 P P   . V4F B 2 4  ? 12.89500  -31.62100 7.10500  1.000 143.30405 ?  4  V4F B  P   1 
HETATM 528 C C   . V53 B 2 5  ? 9.53800   -30.58200 18.71800 1.000 85.65405  ?  5  V53 B  C   1 
HETATM 529 C CAF . V53 B 2 5  ? 11.22900  -27.37500 19.51200 1.000 87.69405  ?  5  V53 B  CAF 1 
HETATM 530 C CAD . V53 B 2 5  ? 10.47600  -28.54800 19.63400 1.000 84.43405  ?  5  V53 B  CAD 1 
HETATM 531 C CAJ . V53 B 2 5  ? 10.37400  -29.46300 18.57800 1.000 84.82405  ?  5  V53 B  CAJ 1 
HETATM 532 C CAL . V53 B 2 5  ? 11.81900  -27.08800 18.25100 1.000 84.61405  ?  5  V53 B  CAL 1 
HETATM 533 C CAM . V53 B 2 5  ? 11.65100  -28.00300 17.22400 1.000 83.98405  ?  5  V53 B  CAM 1 
HETATM 534 C CA  . V53 B 2 5  ? 12.13400  -27.67600 15.91500 1.000 87.51405  ?  5  V53 B  CA  1 
HETATM 535 C CAK . V53 B 2 5  ? 12.97700  -26.58400 15.73000 1.000 84.08405  ?  5  V53 B  CAK 1 
HETATM 536 C CAG . V53 B 2 5  ? 13.17700  -25.67200 16.72900 1.000 85.01405  ?  5  V53 B  CAG 1 
HETATM 537 C CAI . V53 B 2 5  ? 12.59000  -25.96700 17.95300 1.000 85.56405  ?  5  V53 B  CAI 1 
HETATM 538 C C01 . V53 B 2 5  ? 12.08500  -25.30400 20.67800 1.000 97.92405  ?  5  V53 B  C01 1 
HETATM 539 N NAH . V53 B 2 5  ? 10.88200  -29.08600 17.37200 1.000 84.80405  ?  5  V53 B  NAH 1 
HETATM 540 N N   . V53 B 2 5  ? 12.12700  -28.67100 15.02600 1.000 91.49405  ?  5  V53 B  N   1 
HETATM 541 O O   . V53 B 2 5  ? 9.18000   -30.97500 19.81400 1.000 84.74405  ?  5  V53 B  O   1 
HETATM 542 O O01 . V53 B 2 5  ? 11.32700  -26.54600 20.67400 1.000 105.08405 ?  5  V53 B  O01 1 
HETATM 543 O O1  . V53 B 2 5  ? 13.67000  -23.75700 21.93800 1.000 97.67405  -1 5  V53 B  O1  1 
HETATM 544 O O2  . V53 B 2 5  ? 11.16900  -23.78400 22.13600 1.000 136.42405 ?  5  V53 B  O2  1 
HETATM 545 O O3  . V53 B 2 5  ? 12.55700  -25.57700 23.23500 1.000 97.01405  -1 5  V53 B  O3  1 
HETATM 546 P P   . V53 B 2 5  ? 12.42400  -24.53800 22.17700 1.000 116.42405 ?  5  V53 B  P   1 
HETATM 547 C C   . V5F B 2 6  ? 7.87300   -30.51900 12.72400 1.000 104.01405 ?  6  V5F B  C   1 
HETATM 548 C C6  . V5F B 2 6  ? 7.73200   -31.55300 13.82800 1.000 101.00405 ?  6  V5F B  C6  1 
HETATM 549 C C2  . V5F B 2 6  ? 7.02700   -33.36100 15.70900 1.000 110.53405 ?  6  V5F B  C2  1 
HETATM 550 C C1  . V5F B 2 6  ? 7.85100   -32.27800 16.01400 1.000 93.08405  ?  6  V5F B  C1  1 
HETATM 551 C CA  . V5F B 2 6  ? 8.21500   -32.06300 17.35100 1.000 90.04405  ?  6  V5F B  CA  1 
HETATM 552 C C5  . V5F B 2 6  ? 7.99700   -33.07700 18.27900 1.000 92.77405  ?  6  V5F B  C5  1 
HETATM 553 C C4  . V5F B 2 6  ? 7.22500   -34.20400 17.96800 1.000 105.31405 ?  6  V5F B  C4  1 
HETATM 554 C C3  . V5F B 2 6  ? 6.72900   -34.35300 16.64800 1.000 117.44405 ?  6  V5F B  C3  1 
HETATM 555 C CB  . V5F B 2 6  ? 9.06700   -32.15700 13.50500 1.000 101.17405 ?  6  V5F B  CB  1 
HETATM 556 N N   . V5F B 2 6  ? 9.03600   -31.02300 17.53100 1.000 87.08405  ?  6  V5F B  N   1 
HETATM 557 O O   . V5F B 2 6  ? 7.58800   -30.83100 11.55500 1.000 100.28405 ?  6  V5F B  O   1 
HETATM 558 O O1  . V5F B 2 6  ? 8.11300   -31.24800 15.16400 1.000 92.75405  ?  6  V5F B  O1  1 
HETATM 559 C C   . V4F B 2 7  ? 7.71400   -27.51700 17.22800 1.000 93.46405  ?  7  V4F B  C   1 
HETATM 560 C CAF . V4F B 2 7  ? 9.78600   -24.95800 15.69900 1.000 90.21405  ?  7  V4F B  CAF 1 
HETATM 561 C CAD . V4F B 2 7  ? 9.08100   -25.67200 16.64200 1.000 87.17405  ?  7  V4F B  CAD 1 
HETATM 562 C CAE . V4F B 2 7  ? 8.43400   -26.83600 16.28000 1.000 91.38405  ?  7  V4F B  CAE 1 
HETATM 563 C CAL . V4F B 2 7  ? 9.80700   -25.46400 14.36600 1.000 92.53405  ?  7  V4F B  CAL 1 
HETATM 564 C CAM . V4F B 2 7  ? 9.13800   -26.67400 14.04800 1.000 96.54405  ?  7  V4F B  CAM 1 
HETATM 565 C CAJ . V4F B 2 7  ? 9.02800   -27.11800 12.71000 1.000 99.51405  ?  7  V4F B  CAJ 1 
HETATM 566 C CAK . V4F B 2 7  ? 9.80300   -26.48000 11.75300 1.000 98.38405  ?  7  V4F B  CAK 1 
HETATM 567 C CAG . V4F B 2 7  ? 10.49600  -25.32600 12.04400 1.000 97.96405  ?  7  V4F B  CAG 1 
HETATM 568 C CAI . V4F B 2 7  ? 10.50100  -24.81600 13.34600 1.000 99.36405  ?  7  V4F B  CAI 1 
HETATM 569 C C01 . V4F B 2 7  ? 10.32600  -23.53300 17.55600 1.000 105.28405 ?  7  V4F B  C01 1 
HETATM 570 C CA  . V4F B 2 7  ? 8.51900   -28.34100 12.21400 1.000 98.24405  ?  7  V4F B  CA  1 
HETATM 571 N NAH . V4F B 2 7  ? 8.40700   -27.25900 15.00800 1.000 96.63405  ?  7  V4F B  NAH 1 
HETATM 572 N N   . V4F B 2 7  ? 8.35400   -29.32900 13.12600 1.000 99.83405  ?  7  V4F B  N   1 
HETATM 573 O O   . V4F B 2 7  ? 7.77100   -27.19200 18.41900 1.000 88.94405  ?  7  V4F B  O   1 
HETATM 574 O O01 . V4F B 2 7  ? 10.48400  -23.80300 16.08900 1.000 99.77405  ?  7  V4F B  O01 1 
HETATM 575 O O3  . V4F B 2 7  ? 10.38100  -21.87100 19.65500 1.000 108.63405 -1 7  V4F B  O3  1 
HETATM 576 O O2  . V4F B 2 7  ? 12.37000  -21.89100 18.22800 1.000 130.92405 -1 7  V4F B  O2  1 
HETATM 577 O O1  . V4F B 2 7  ? 10.28400  -20.83400 17.39800 1.000 130.88405 ?  7  V4F B  O1  1 
HETATM 578 P P   . V4F B 2 7  ? 10.91200  -21.84600 18.21900 1.000 136.15405 ?  7  V4F B  P   1 
HETATM 579 C C   . V53 B 2 8  ? 4.17100   -30.34500 13.04400 1.000 96.87405  ?  8  V53 B  C   1 
HETATM 580 C CAF . V53 B 2 8  ? 3.62800   -31.81700 16.34400 1.000 107.21405 ?  8  V53 B  CAF 1 
HETATM 581 C CAD . V53 B 2 8  ? 3.54700   -31.53700 14.98200 1.000 100.40405 ?  8  V53 B  CAD 1 
HETATM 582 C CAJ . V53 B 2 8  ? 4.41100   -30.62600 14.39500 1.000 95.09405  ?  8  V53 B  CAJ 1 
HETATM 583 C CAL . V53 B 2 8  ? 4.47100   -31.03400 17.13200 1.000 100.34405 ?  8  V53 B  CAL 1 
HETATM 584 C CAM . V53 B 2 8  ? 5.28500   -30.07900 16.52000 1.000 97.19405  ?  8  V53 B  CAM 1 
HETATM 585 C CA  . V53 B 2 8  ? 6.05200   -29.23900 17.31200 1.000 96.02405  ?  8  V53 B  CA  1 
HETATM 586 C CAK . V53 B 2 8  ? 6.20900   -29.50900 18.66300 1.000 92.05405  ?  8  V53 B  CAK 1 
HETATM 587 C CAG . V53 B 2 8  ? 5.42100   -30.48600 19.25700 1.000 95.54405  ?  8  V53 B  CAG 1 
HETATM 588 C CAI . V53 B 2 8  ? 4.54700   -31.25800 18.50200 1.000 104.00405 ?  8  V53 B  CAI 1 
HETATM 589 C C01 . V53 B 2 8  ? 1.86300   -33.46000 16.29300 1.000 125.17405 ?  8  V53 B  C01 1 
HETATM 590 N NAH . V53 B 2 8  ? 5.13600   -29.83700 15.19200 1.000 92.83405  ?  8  V53 B  NAH 1 
HETATM 591 N N   . V53 B 2 8  ? 6.87900   -28.42600 16.65100 1.000 94.79405  ?  8  V53 B  N   1 
HETATM 592 O O   . V53 B 2 8  ? 3.81900   -31.23400 12.25200 1.000 93.88405  ?  8  V53 B  O   1 
HETATM 593 O O01 . V53 B 2 8  ? 2.85400   -32.73400 17.04200 1.000 129.90405 ?  8  V53 B  O01 1 
HETATM 594 O O1  . V53 B 2 8  ? 1.41400   -36.00200 16.82900 1.000 147.94405 -1 8  V53 B  O1  1 
HETATM 595 O O2  . V53 B 2 8  ? 1.59200   -34.36800 18.69700 1.000 142.30405 -1 8  V53 B  O2  1 
HETATM 596 O O3  . V53 B 2 8  ? -0.40800  -34.37500 17.29500 1.000 143.85405 ?  8  V53 B  O3  1 
HETATM 597 P P   . V53 B 2 8  ? 1.02700   -34.69000 17.37300 1.000 153.96405 ?  8  V53 B  P   1 
HETATM 598 C C   . V4F B 2 9  ? 5.27100   -25.58900 15.54100 1.000 92.78405  ?  9  V4F B  C   1 
HETATM 599 C CAF . V4F B 2 9  ? 6.65000   -24.15400 12.46500 1.000 92.36405  ?  9  V4F B  CAF 1 
HETATM 600 C CAD . V4F B 2 9  ? 6.39100   -24.43300 13.78300 1.000 92.96405  ?  9  V4F B  CAD 1 
HETATM 601 C CAE . V4F B 2 9  ? 5.62500   -25.51800 14.18700 1.000 93.95405  ?  9  V4F B  CAE 1 
HETATM 602 C CAL . V4F B 2 9  ? 6.30000   -25.20600 11.54700 1.000 94.27405  ?  9  V4F B  CAL 1 
HETATM 603 C CAM . V4F B 2 9  ? 5.53600   -26.34200 11.96800 1.000 95.02405  ?  9  V4F B  CAM 1 
HETATM 604 C CAJ . V4F B 2 9  ? 5.11900   -27.35000 11.03800 1.000 98.33405  ?  9  V4F B  CAJ 1 
HETATM 605 C CAK . V4F B 2 9  ? 5.46900   -27.19600 9.70100  1.000 99.79405  ?  9  V4F B  CAK 1 
HETATM 606 C CAG . V4F B 2 9  ? 6.21500   -26.09800 9.27000  1.000 91.12405  ?  9  V4F B  CAG 1 
HETATM 607 C CAI . V4F B 2 9  ? 6.62000   -25.12300 10.18800 1.000 92.82405  ?  9  V4F B  CAI 1 
HETATM 608 C C01 . V4F B 2 9  ? 8.02900   -22.44000 13.40800 1.000 100.82405 ?  9  V4F B  C01 1 
HETATM 609 C CA  . V4F B 2 9  ? 4.39200   -28.52200 11.27400 1.000 100.36405 ?  9  V4F B  CA  1 
HETATM 610 N NAH . V4F B 2 9  ? 5.19000   -26.43000 13.27600 1.000 92.48405  ?  9  V4F B  NAH 1 
HETATM 611 N N   . V4F B 2 9  ? 4.53700   -29.08300 12.65400 1.000 100.24405 ?  9  V4F B  N   1 
HETATM 612 O O   . V4F B 2 9  ? 5.78000   -24.79300 16.33700 1.000 85.79405  ?  9  V4F B  O   1 
HETATM 613 O O01 . V4F B 2 9  ? 7.49100   -23.10600 12.15800 1.000 92.65405  ?  9  V4F B  O01 1 
HETATM 614 O O3  . V4F B 2 9  ? 8.41300   -20.46100 15.21200 1.000 100.86405 -1 9  V4F B  O3  1 
HETATM 615 O O2  . V4F B 2 9  ? 7.18200   -19.89700 13.15600 1.000 117.97405 ?  9  V4F B  O2  1 
HETATM 616 O O1  . V4F B 2 9  ? 9.64200   -20.25600 13.13400 1.000 113.57405 -1 9  V4F B  O1  1 
HETATM 617 P P   . V4F B 2 9  ? 8.28700   -20.56200 13.73600 1.000 124.02405 ?  9  V4F B  P   1 
HETATM 618 C C   . V53 B 2 10 ? 1.02000   -29.53600 14.41200 1.000 96.29405  ?  10 V53 B  C   1 
HETATM 619 C CAF . V53 B 2 10 ? 1.21600   -29.18500 18.09900 1.000 100.98405 ?  10 V53 B  CAF 1 
HETATM 620 C CAD . V53 B 2 10 ? 0.82400   -29.64000 16.83500 1.000 98.36405  ?  10 V53 B  CAD 1 
HETATM 621 C CAJ . V53 B 2 10 ? 1.38800   -29.10200 15.70400 1.000 95.20405  ?  10 V53 B  CAJ 1 
HETATM 622 C CAL . V53 B 2 10 ? 2.25600   -28.23100 18.16000 1.000 98.62405  ?  10 V53 B  CAL 1 
HETATM 623 C CAM . V53 B 2 10 ? 2.83400   -27.77700 16.96900 1.000 99.16405  ?  10 V53 B  CAM 1 
HETATM 624 C CA  . V53 B 2 10 ? 3.80600   -26.77900 16.99300 1.000 99.30405  ?  10 V53 B  CA  1 
HETATM 625 C CAK . V53 B 2 10 ? 4.32400   -26.33200 18.23000 1.000 93.41405  ?  10 V53 B  CAK 1 
HETATM 626 C CAG . V53 B 2 10 ? 3.75100   -26.80900 19.40000 1.000 95.02405  ?  10 V53 B  CAG 1 
HETATM 627 C CAI . V53 B 2 10 ? 2.72400   -27.76400 19.37700 1.000 93.53405  ?  10 V53 B  CAI 1 
HETATM 628 C C01 . V53 B 2 10 ? -0.34500  -30.63200 18.90800 1.000 122.36405 ?  10 V53 B  C01 1 
HETATM 629 N NAH . V53 B 2 10 ? 2.37300   -28.22600 15.78400 1.000 93.14405  ?  10 V53 B  NAH 1 
HETATM 630 N N   . V53 B 2 10 ? 4.33100   -26.49900 15.79600 1.000 96.39405  ?  10 V53 B  N   1 
HETATM 631 O O   . V53 B 2 10 ? 0.22200   -30.51500 14.22200 1.000 110.61405 -1 10 V53 B  O   1 
HETATM 632 O O01 . V53 B 2 10 ? 0.69600   -29.66600 19.31400 1.000 110.87405 ?  10 V53 B  O01 1 
HETATM 633 O O1  . V53 B 2 10 ? -2.18400  -32.19600 19.12600 1.000 125.37405 ?  10 V53 B  O1  1 
HETATM 634 O O2  . V53 B 2 10 ? -0.03300  -32.73400 20.33800 1.000 146.11405 -1 10 V53 B  O2  1 
HETATM 635 O O3  . V53 B 2 10 ? -1.69900  -31.12800 21.35100 1.000 140.58405 -1 10 V53 B  O3  1 
HETATM 636 P P   . V53 B 2 10 ? -1.20400  -31.86500 20.16200 1.000 155.75405 ?  10 V53 B  P   1 
HETATM 637 O OXT . V53 B 2 10 ? 1.27700   -28.79400 13.42700 1.000 95.18405  ?  10 V53 B  OXT 1 
HETATM 638 N N   . DBB C 3 1  ? -9.72492  -16.84405 20.33283 1.000 96.06837  ?  1  DBB C  N   1 
HETATM 639 C CA  . DBB C 3 1  ? -8.68300  -16.08800 19.52900 1.000 94.35837  ?  1  DBB C  CA  1 
HETATM 640 C C   . DBB C 3 1  ? -9.03600  -16.47600 18.06900 1.000 91.51837  ?  1  DBB C  C   1 
HETATM 641 O O   . DBB C 3 1  ? -8.85800  -15.67700 17.09000 1.000 85.94837  ?  1  DBB C  O   1 
HETATM 642 C CB  . DBB C 3 1  ? -8.14100  -14.74700 19.27200 1.000 85.56837  ?  1  DBB C  CB  1 
HETATM 643 C CG  . DBB C 3 1  ? -8.17229  -14.15483 20.33283 1.000 84.88837  ?  1  DBB C  CG  1 
HETATM 644 C C   . V4F C 3 2  ? -7.38000  -18.93000 21.12900 1.000 89.02837  ?  2  V4F C  C   1 
HETATM 645 C CAF . V4F C 3 2  ? -9.80700  -21.59500 20.38800 1.000 106.88837 ?  2  V4F C  CAF 1 
HETATM 646 C CAD . V4F C 3 2  ? -8.86900  -20.81700 21.03800 1.000 103.73837 ?  2  V4F C  CAD 1 
HETATM 647 C CAE . V4F C 3 2  ? -8.41800  -19.60500 20.44500 1.000 100.30837 ?  2  V4F C  CAE 1 
HETATM 648 C CAL . V4F C 3 2  ? -10.38600 -21.18300 19.13900 1.000 108.20837 ?  2  V4F C  CAL 1 
HETATM 649 C CAM . V4F C 3 2  ? -9.93100  -19.99500 18.58100 1.000 106.56837 ?  2  V4F C  CAM 1 
HETATM 650 C CAJ . V4F C 3 2  ? -10.48000 -19.56600 17.35000 1.000 105.00837 ?  2  V4F C  CAJ 1 
HETATM 651 C CAK . V4F C 3 2  ? -11.45400 -20.24800 16.64000 1.000 107.80837 ?  2  V4F C  CAK 1 
HETATM 652 C CAG . V4F C 3 2  ? -11.92900 -21.43700 17.16800 1.000 115.29837 ?  2  V4F C  CAG 1 
HETATM 653 C CAI . V4F C 3 2  ? -11.37100 -21.85400 18.40300 1.000 113.36837 ?  2  V4F C  CAI 1 
HETATM 654 C C01 . V4F C 3 2  ? -10.99100 -23.73700 20.58800 1.000 112.25837 ?  2  V4F C  C01 1 
HETATM 655 C CA  . V4F C 3 2  ? -10.03700 -18.37500 16.76600 1.000 100.19837 ?  2  V4F C  CA  1 
HETATM 656 N NAH . V4F C 3 2  ? -8.93600  -19.31000 19.20700 1.000 104.38837 ?  2  V4F C  NAH 1 
HETATM 657 N N   . V4F C 3 2  ? -9.57800  -17.67600 17.97600 1.000 100.46837 ?  2  V4F C  N   1 
HETATM 658 O O   . V4F C 3 2  ? -7.29800  -18.98500 22.31600 1.000 90.51837  ?  2  V4F C  O   1 
HETATM 659 O O01 . V4F C 3 2  ? -10.07400 -22.77200 21.11300 1.000 110.31837 ?  2  V4F C  O01 1 
HETATM 660 O O3  . V4F C 3 2  ? -12.65200 -24.50600 22.06000 1.000 122.30837 ?  2  V4F C  O3  1 
HETATM 661 O O2  . V4F C 3 2  ? -10.35300 -25.61300 22.27300 1.000 124.16837 -1 2  V4F C  O2  1 
HETATM 662 O O1  . V4F C 3 2  ? -11.64200 -25.88800 20.19400 1.000 112.17837 -1 2  V4F C  O1  1 
HETATM 663 P P   . V4F C 3 2  ? -11.45200 -25.07300 21.42200 1.000 123.53837 ?  2  V4F C  P   1 
HETATM 664 C C   . V53 C 3 3  ? -5.70800  -16.68400 15.97800 1.000 84.88837  ?  3  V53 C  C   1 
HETATM 665 C CAF . V53 C 3 3  ? -3.79100  -14.91500 18.63800 1.000 89.16837  ?  3  V53 C  CAF 1 
HETATM 666 C CAD . V53 C 3 3  ? -4.22500  -15.27600 17.34500 1.000 87.11837  ?  3  V53 C  CAD 1 
HETATM 667 C CAJ . V53 C 3 3  ? -5.20100  -16.23900 17.23300 1.000 84.76837  ?  3  V53 C  CAJ 1 
HETATM 668 C CAL . V53 C 3 3  ? -4.18700  -15.62000 19.72500 1.000 88.34837  ?  3  V53 C  CAL 1 
HETATM 669 C CAM . V53 C 3 3  ? -5.09900  -16.65900 19.52000 1.000 87.46837  ?  3  V53 C  CAM 1 
HETATM 670 C CA  . V53 C 3 3  ? -5.60900  -17.36500 20.67100 1.000 87.50837  ?  3  V53 C  CA  1 
HETATM 671 C CAK . V53 C 3 3  ? -5.18200  -16.96600 21.94000 1.000 88.92837  ?  3  V53 C  CAK 1 
HETATM 672 C CAG . V53 C 3 3  ? -4.21300  -15.97200 22.09900 1.000 90.91837  ?  3  V53 C  CAG 1 
HETATM 673 C CAI . V53 C 3 3  ? -3.71600  -15.29000 20.99600 1.000 89.27837  ?  3  V53 C  CAI 1 
HETATM 674 C C01 . V53 C 3 3  ? -2.29200  -13.37900 17.86300 1.000 111.06837 ?  3  V53 C  C01 1 
HETATM 675 N NAH . V53 C 3 3  ? -5.57800  -16.93400 18.29200 1.000 85.10837  ?  3  V53 C  NAH 1 
HETATM 676 N N   . V53 C 3 3  ? -6.64700  -18.12200 20.30600 1.000 86.82837  ?  3  V53 C  N   1 
HETATM 677 O O   . V53 C 3 3  ? -5.59100  -16.07900 14.93100 1.000 84.49837  ?  3  V53 C  O   1 
HETATM 678 O O01 . V53 C 3 3  ? -2.82600  -14.01800 19.00800 1.000 102.36837 ?  3  V53 C  O01 1 
HETATM 679 O O1  . V53 C 3 3  ? -0.47800  -11.72900 17.42400 1.000 104.71837 ?  3  V53 C  O1  1 
HETATM 680 O O2  . V53 C 3 3  ? -0.89100  -12.32500 19.75800 1.000 107.31837 -1 3  V53 C  O2  1 
HETATM 681 O O3  . V53 C 3 3  ? 0.08200   -14.02300 18.17900 1.000 125.35837 -1 3  V53 C  O3  1 
HETATM 682 P P   . V53 C 3 3  ? -0.73000  -12.81200 18.37700 1.000 134.38837 ?  3  V53 C  P   1 
HETATM 683 C C   . V4F C 3 4  ? -6.04900  -21.38200 19.00200 1.000 102.83837 ?  4  V4F C  C   1 
HETATM 684 C CAF . V4F C 3 4  ? -8.43500  -22.71700 16.50900 1.000 101.45837 ?  4  V4F C  CAF 1 
HETATM 685 C CAD . V4F C 3 4  ? -7.71200  -22.65400 17.69900 1.000 101.55837 ?  4  V4F C  CAD 1 
HETATM 686 C CAE . V4F C 3 4  ? -6.82500  -21.53900 17.86500 1.000 101.89837 ?  4  V4F C  CAE 1 
HETATM 687 C CAL . V4F C 3 4  ? -8.40900  -21.65500 15.62500 1.000 93.82837  ?  4  V4F C  CAL 1 
HETATM 688 C CAM . V4F C 3 4  ? -7.60600  -20.55800 15.85000 1.000 88.96837  ?  4  V4F C  CAM 1 
HETATM 689 C CAJ . V4F C 3 4  ? -7.51800  -19.57600 14.87300 1.000 89.40837  ?  4  V4F C  CAJ 1 
HETATM 690 C CAK . V4F C 3 4  ? -8.37600  -19.66700 13.75300 1.000 95.36837  ?  4  V4F C  CAK 1 
HETATM 691 C CAG . V4F C 3 4  ? -9.23600  -20.76000 13.51300 1.000 110.45837 ?  4  V4F C  CAG 1 
HETATM 692 C CAI . V4F C 3 4  ? -9.22400  -21.75900 14.49400 1.000 105.38837 ?  4  V4F C  CAI 1 
HETATM 693 C C01 . V4F C 3 4  ? -9.66400  -24.66500 17.22400 1.000 110.14837 ?  4  V4F C  C01 1 
HETATM 694 C CA  . V4F C 3 4  ? -6.85000  -18.36200 14.89000 1.000 87.11837  ?  4  V4F C  CA  1 
HETATM 695 N NAH . V4F C 3 4  ? -6.79800  -20.57300 16.93800 1.000 94.05837  ?  4  V4F C  NAH 1 
HETATM 696 N N   . V4F C 3 4  ? -6.35800  -17.90200 16.05100 1.000 85.91837  ?  4  V4F C  N   1 
HETATM 697 O O   . V4F C 3 4  ? -6.22100  -22.11800 19.99900 1.000 104.11837 ?  4  V4F C  O   1 
HETATM 698 O O01 . V4F C 3 4  ? -9.37700  -23.68500 16.23200 1.000 106.24837 ?  4  V4F C  O01 1 
HETATM 699 O O3  . V4F C 3 4  ? -12.24500 -25.20200 17.25100 1.000 117.13837 ?  4  V4F C  O3  1 
HETATM 700 O O2  . V4F C 3 4  ? -10.64700 -27.07200 17.28500 1.000 122.70837 -1 4  V4F C  O2  1 
HETATM 701 O O1  . V4F C 3 4  ? -10.97500 -25.75800 15.20200 1.000 115.23837 -1 4  V4F C  O1  1 
HETATM 702 P P   . V4F C 3 4  ? -11.02700 -25.78100 16.68000 1.000 121.28837 ?  4  V4F C  P   1 
HETATM 703 C C   . V53 C 3 5  ? -2.06700  -17.79500 16.30000 1.000 83.00837  ?  5  V53 C  C   1 
HETATM 704 C CAF . V53 C 3 5  ? -1.54800  -17.57600 19.95100 1.000 88.23837  ?  5  V53 C  CAF 1 
HETATM 705 C CAD . V53 C 3 5  ? -1.37200  -17.37700 18.58300 1.000 86.97837  ?  5  V53 C  CAD 1 
HETATM 706 C CAJ . V53 C 3 5  ? -2.26200  -17.92900 17.66700 1.000 84.52837  ?  5  V53 C  CAJ 1 
HETATM 707 C CAL . V53 C 3 5  ? -2.51300  -18.48100 20.34900 1.000 88.03837  ?  5  V53 C  CAL 1 
HETATM 708 C CAM . V53 C 3 5  ? -3.36100  -19.06800 19.41300 1.000 86.24837  ?  5  V53 C  CAM 1 
HETATM 709 C CA  . V53 C 3 5  ? -4.23900  -20.06600 19.78200 1.000 86.58837  ?  5  V53 C  CA  1 
HETATM 710 C CAK . V53 C 3 5  ? -4.46200  -20.21600 21.14400 1.000 88.35837  ?  5  V53 C  CAK 1 
HETATM 711 C CAG . V53 C 3 5  ? -3.65900  -19.62800 22.11200 1.000 91.13837  ?  5  V53 C  CAG 1 
HETATM 712 C CAI . V53 C 3 5  ? -2.66200  -18.75000 21.70300 1.000 90.56837  ?  5  V53 C  CAI 1 
HETATM 713 C C01 . V53 C 3 5  ? 0.33500   -16.34600 20.68700 1.000 111.92837 ?  5  V53 C  C01 1 
HETATM 714 N NAH . V53 C 3 5  ? -3.12500  -18.85500 18.09000 1.000 85.20837  ?  5  V53 C  NAH 1 
HETATM 715 N N   . V53 C 3 5  ? -5.11600  -20.43000 18.86100 1.000 91.76837  ?  5  V53 C  N   1 
HETATM 716 O O   . V53 C 3 5  ? -1.33200  -16.91400 15.85500 1.000 81.95837  ?  5  V53 C  O   1 
HETATM 717 O O01 . V53 C 3 5  ? -0.83800  -17.14100 21.02300 1.000 95.61837  ?  5  V53 C  O01 1 
HETATM 718 O O1  . V53 C 3 5  ? 2.47400   -15.36400 21.43400 1.000 101.67837 ?  5  V53 C  O1  1 
HETATM 719 O O2  . V53 C 3 5  ? 0.76300   -15.28800 23.26700 1.000 115.00837 -1 5  V53 C  O2  1 
HETATM 720 O O3  . V53 C 3 5  ? 1.74800   -17.45700 22.48100 1.000 107.92837 -1 5  V53 C  O3  1 
HETATM 721 P P   . V53 C 3 5  ? 1.39400   -16.06400 22.15100 1.000 121.68837 ?  5  V53 C  P   1 
HETATM 722 C C   . V5F C 3 6  ? -4.10400  -23.28900 14.88400 1.000 93.38837  ?  6  V5F C  C   1 
HETATM 723 C C6  . V5F C 3 6  ? -3.91800  -22.17100 13.92100 1.000 86.87837  ?  6  V5F C  C6  1 
HETATM 724 C C2  . V5F C 3 6  ? -3.01400  -20.23400 12.23800 1.000 88.60837  ?  6  V5F C  C2  1 
HETATM 725 C C1  . V5F C 3 6  ? -3.03800  -20.03900 13.62900 1.000 83.33837  ?  6  V5F C  C1  1 
HETATM 726 C CA  . V5F C 3 6  ? -2.48200  -18.91100 14.19200 1.000 82.12837  ?  6  V5F C  CA  1 
HETATM 727 C C5  . V5F C 3 6  ? -2.13400  -17.86400 13.34700 1.000 80.47837  ?  6  V5F C  C5  1 
HETATM 728 C C4  . V5F C 3 6  ? -2.16500  -18.01200 11.96600 1.000 82.00837  ?  6  V5F C  C4  1 
HETATM 729 C C3  . V5F C 3 6  ? -2.61400  -19.21000 11.37900 1.000 87.64837  ?  6  V5F C  C3  1 
HETATM 730 C CB  . V5F C 3 6  ? -5.38500  -21.75800 13.82400 1.000 90.30837  ?  6  V5F C  CB  1 
HETATM 731 N N   . V5F C 3 6  ? -2.56700  -18.84100 15.53800 1.000 82.19837  ?  6  V5F C  N   1 
HETATM 732 O O   . V5F C 3 6  ? -4.64800  -24.33800 14.49900 1.000 89.60837  ?  6  V5F C  O   1 
HETATM 733 O O1  . V5F C 3 6  ? -3.32900  -21.02700 14.52100 1.000 83.78837  ?  6  V5F C  O1  1 
HETATM 734 C C   . V4F C 3 7  ? -0.01000  -20.71300 17.74800 1.000 82.91837  ?  7  V4F C  C   1 
HETATM 735 C CAF . V4F C 3 7  ? -1.34900  -22.22300 20.82600 1.000 89.95837  ?  7  V4F C  CAF 1 
HETATM 736 C CAD . V4F C 3 7  ? -0.55900  -21.42300 20.00900 1.000 87.42837  ?  7  V4F C  CAD 1 
HETATM 737 C CAE . V4F C 3 7  ? -0.75100  -21.47300 18.63500 1.000 85.22837  ?  7  V4F C  CAE 1 
HETATM 738 C CAL . V4F C 3 7  ? -2.29800  -23.06200 20.24500 1.000 93.90837  ?  7  V4F C  CAL 1 
HETATM 739 C CAM . V4F C 3 7  ? -2.48300  -23.05100 18.84900 1.000 93.19837  ?  7  V4F C  CAM 1 
HETATM 740 C CAJ . V4F C 3 7  ? -3.33500  -23.98700 18.25900 1.000 96.48837  ?  7  V4F C  CAJ 1 
HETATM 741 C CAK . V4F C 3 7  ? -4.17800  -24.70700 19.08900 1.000 93.36837  ?  7  V4F C  CAK 1 
HETATM 742 C CAG . V4F C 3 7  ? -4.03500  -24.69100 20.46000 1.000 94.38837  ?  7  V4F C  CAG 1 
HETATM 743 C CAI . V4F C 3 7  ? -3.08300  -23.86000 21.05300 1.000 97.56837  ?  7  V4F C  CAI 1 
HETATM 744 C C01 . V4F C 3 7  ? -0.16200  -21.34200 22.62100 1.000 96.72837  ?  7  V4F C  C01 1 
HETATM 745 C CA  . V4F C 3 7  ? -3.80400  -24.10900 16.95500 1.000 95.35837  ?  7  V4F C  CA  1 
HETATM 746 N NAH . V4F C 3 7  ? -1.64600  -22.33400 18.09300 1.000 85.98837  ?  7  V4F C  NAH 1 
HETATM 747 N N   . V4F C 3 7  ? -3.62500  -23.08700 16.10500 1.000 94.84837  ?  7  V4F C  N   1 
HETATM 748 O O   . V4F C 3 7  ? 0.64600   -19.76100 18.12300 1.000 80.81837  ?  7  V4F C  O   1 
HETATM 749 O O01 . V4F C 3 7  ? -1.22200  -22.25400 22.19500 1.000 93.06837  ?  7  V4F C  O01 1 
HETATM 750 O O3  . V4F C 3 7  ? -0.70100  -22.09900 25.05600 1.000 113.78837 ?  7  V4F C  O3  1 
HETATM 751 O O2  . V4F C 3 7  ? 1.20300   -20.54800 24.60000 1.000 111.92837 -1 7  V4F C  O2  1 
HETATM 752 O O1  . V4F C 3 7  ? 1.31900   -22.90400 23.81800 1.000 119.27837 -1 7  V4F C  O1  1 
HETATM 753 P P   . V4F C 3 7  ? 0.44500   -21.79400 24.21300 1.000 128.26837 ?  7  V4F C  P   1 
HETATM 754 C C   . V53 C 3 8  ? -1.07300  -24.55500 13.07300 1.000 91.16837  ?  8  V53 C  C   1 
HETATM 755 C CAF . V53 C 3 8  ? 0.36200   -21.45700 11.79700 1.000 87.64837  ?  8  V53 C  CAF 1 
HETATM 756 C CAD . V53 C 3 8  ? -0.21900  -22.72500 11.81600 1.000 89.50837  ?  8  V53 C  CAD 1 
HETATM 757 C CAJ . V53 C 3 8  ? -0.64700  -23.24500 13.03000 1.000 88.13837  ?  8  V53 C  CAJ 1 
HETATM 758 C CAL . V53 C 3 8  ? 0.51400   -20.77100 12.99800 1.000 84.28837  ?  8  V53 C  CAL 1 
HETATM 759 C CAM . V53 C 3 8  ? 0.08500   -21.36400 14.16700 1.000 84.46837  ?  8  V53 C  CAM 1 
HETATM 760 C CA  . V53 C 3 8  ? 0.38600   -20.70300 15.38900 1.000 83.01837  ?  8  V53 C  CA  1 
HETATM 761 C CAK . V53 C 3 8  ? 0.83500   -19.41200 15.34900 1.000 80.91837  ?  8  V53 C  CAK 1 
HETATM 762 C CAG . V53 C 3 8  ? 1.23900   -18.79800 14.16800 1.000 79.96837  ?  8  V53 C  CAG 1 
HETATM 763 C CAI . V53 C 3 8  ? 1.07200   -19.49500 12.97500 1.000 82.07837  ?  8  V53 C  CAI 1 
HETATM 764 C C01 . V53 C 3 8  ? 0.44500   -21.69200 9.52800  1.000 95.60837  ?  8  V53 C  C01 1 
HETATM 765 N NAH . V53 C 3 8  ? -0.38900  -22.61300 14.16600 1.000 86.30837  ?  8  V53 C  NAH 1 
HETATM 766 N N   . V53 C 3 8  ? -0.17400  -21.19100 16.48500 1.000 83.08837  ?  8  V53 C  N   1 
HETATM 767 O O   . V53 C 3 8  ? -1.52000  -25.17300 12.09600 1.000 100.99837 ?  8  V53 C  O   1 
HETATM 768 O O01 . V53 C 3 8  ? 0.75600   -20.80900 10.63400 1.000 87.83837  ?  8  V53 C  O01 1 
HETATM 769 O O1  . V53 C 3 8  ? -0.43900  -20.78400 7.25500  1.000 115.13837 ?  8  V53 C  O1  1 
HETATM 770 O O2  . V53 C 3 8  ? 1.77800   -19.98300 7.96800  1.000 88.52837  -1 8  V53 C  O2  1 
HETATM 771 O O3  . V53 C 3 8  ? 1.48400   -22.35500 7.38200  1.000 121.43837 -1 8  V53 C  O3  1 
HETATM 772 P P   . V53 C 3 8  ? 0.80200   -21.16900 7.84100  1.000 101.64837 ?  8  V53 C  P   1 
HETATM 773 C C   . V4F C 3 9  ? 1.67300   -23.85400 17.83500 1.000 87.27837  ?  9  V4F C  C   1 
HETATM 774 C CAF . V4F C 3 9  ? -0.52600  -26.33400 19.43800 1.000 93.41837  ?  9  V4F C  CAF 1 
HETATM 775 C CAD . V4F C 3 9  ? 0.45700   -25.37100 19.26000 1.000 91.12837  ?  9  V4F C  CAD 1 
HETATM 776 C CAE . V4F C 3 9  ? 0.71500   -24.85900 17.99100 1.000 90.23837  ?  9  V4F C  CAE 1 
HETATM 777 C CAL . V4F C 3 9  ? -1.17000  -26.83400 18.30500 1.000 93.73837  ?  9  V4F C  CAL 1 
HETATM 778 C CAM . V4F C 3 9  ? -0.87000  -26.31000 17.03900 1.000 92.24837  ?  9  V4F C  CAM 1 
HETATM 779 C CAJ . V4F C 3 9  ? -1.56100  -26.80800 15.92200 1.000 93.22837  ?  9  V4F C  CAJ 1 
HETATM 780 C CAK . V4F C 3 9  ? -2.50000  -27.79800 16.07000 1.000 96.72837  ?  9  V4F C  CAK 1 
HETATM 781 C CAG . V4F C 3 9  ? -2.80300  -28.32300 17.32500 1.000 103.81837 ?  9  V4F C  CAG 1 
HETATM 782 C CAI . V4F C 3 9  ? -2.13200  -27.83000 18.45500 1.000 101.96837 ?  9  V4F C  CAI 1 
HETATM 783 C C01 . V4F C 3 9  ? 0.15800   -26.22600 21.61700 1.000 106.20837 ?  9  V4F C  C01 1 
HETATM 784 C CA  . V4F C 3 9  ? -1.41300  -26.44700 14.57600 1.000 94.19837  ?  9  V4F C  CA  1 
HETATM 785 N NAH . V4F C 3 9  ? 0.08300   -25.36800 16.91900 1.000 91.10837  ?  9  V4F C  NAH 1 
HETATM 786 N N   . V4F C 3 9  ? -1.00200  -25.06300 14.32900 1.000 90.36837  ?  9  V4F C  N   1 
HETATM 787 O O   . V4F C 3 9  ? 1.96100   -23.14400 18.81200 1.000 86.07837  ?  9  V4F C  O   1 
HETATM 788 O O01 . V4F C 3 9  ? -0.77500  -26.86500 20.69800 1.000 101.81837 ?  9  V4F C  O01 1 
HETATM 789 O O3  . V4F C 3 9  ? 1.02300   -26.07900 24.09100 1.000 106.47837 ?  9  V4F C  O3  1 
HETATM 790 O O2  . V4F C 3 9  ? -1.14100  -27.25600 23.77700 1.000 109.56837 -1 9  V4F C  O2  1 
HETATM 791 O O1  . V4F C 3 9  ? -1.01900  -24.83100 23.39500 1.000 116.80837 -1 9  V4F C  O1  1 
HETATM 792 P P   . V4F C 3 9  ? -0.28200  -26.10800 23.41200 1.000 116.83837 ?  9  V4F C  P   1 
HETATM 793 C C   . V53 C 3 10 ? 2.21300   -24.74800 11.83400 1.000 93.29837  ?  10 V53 C  C   1 
HETATM 794 C CAF . V53 C 3 10 ? 4.10000   -21.71600 12.76800 1.000 87.96837  ?  10 V53 C  CAF 1 
HETATM 795 C CAD . V53 C 3 10 ? 3.57600   -22.77700 12.04400 1.000 87.83837  ?  10 V53 C  CAD 1 
HETATM 796 C CAJ . V53 C 3 10 ? 2.77300   -23.72700 12.62400 1.000 87.53837  ?  10 V53 C  CAJ 1 
HETATM 797 C CAL . V53 C 3 10 ? 3.97100   -21.78800 14.15500 1.000 86.91837  ?  10 V53 C  CAL 1 
HETATM 798 C CAM . V53 C 3 10 ? 3.08600   -22.74700 14.71800 1.000 86.08837  ?  10 V53 C  CAM 1 
HETATM 799 C CA  . V53 C 3 10 ? 2.90000   -22.75400 16.09400 1.000 84.73837  ?  10 V53 C  CA  1 
HETATM 800 C CAK . V53 C 3 10 ? 3.42500   -21.72600 16.88300 1.000 82.36837  ?  10 V53 C  CAK 1 
HETATM 801 C CAG . V53 C 3 10 ? 4.24100   -20.74900 16.32600 1.000 83.30837  ?  10 V53 C  CAG 1 
HETATM 802 C CAI . V53 C 3 10 ? 4.48100   -20.77200 14.96200 1.000 85.62837  ?  10 V53 C  CAI 1 
HETATM 803 C C01 . V53 C 3 10 ? 5.01500   -20.77000 10.75300 1.000 97.26837  ?  10 V53 C  C01 1 
HETATM 804 N NAH . V53 C 3 10 ? 2.54300   -23.71000 13.93500 1.000 88.56837  ?  10 V53 C  NAH 1 
HETATM 805 N N   . V53 C 3 10 ? 2.01200   -23.64800 16.55100 1.000 86.39837  ?  10 V53 C  N   1 
HETATM 806 O O   . V53 C 3 10 ? 1.58600   -25.71100 12.36100 1.000 91.34837  ?  10 V53 C  O   1 
HETATM 807 O O01 . V53 C 3 10 ? 4.99700   -20.79300 12.22200 1.000 98.23837  ?  10 V53 C  O01 1 
HETATM 808 O O1  . V53 C 3 10 ? 5.80000   -20.08300 8.55300  1.000 108.35837 ?  10 V53 C  O1  1 
HETATM 809 O O2  . V53 C 3 10 ? 6.28600   -18.40400 10.29500 1.000 101.12837 -1 10 V53 C  O2  1 
HETATM 810 O O3  . V53 C 3 10 ? 7.50300   -20.67900 10.33200 1.000 109.96837 -1 10 V53 C  O3  1 
HETATM 811 P P   . V53 C 3 10 ? 6.39700   -19.82000 9.86900  1.000 117.66837 ?  10 V53 C  P   1 
HETATM 812 O OXT . V53 C 3 10 ? 2.40600   -24.78000 10.57600 1.000 93.91837  -1 10 V53 C  OXT 1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . MET A 1  ? 1.33158 2.56789 1.73160 0.31776  0.28731  -0.49580 1  MET AA N   
2   C CA  . MET A 1  ? 1.39468 2.64693 1.79438 0.30969  0.27235  -0.50983 1  MET AA CA  
3   C C   . MET A 1  ? 1.35011 2.58251 1.74859 0.30196  0.26891  -0.51820 1  MET AA C   
4   O O   . MET A 1  ? 1.39454 2.63365 1.79236 0.29804  0.26290  -0.52544 1  MET AA O   
5   C CB  . MET A 1  ? 1.35279 2.62934 1.75055 0.31460  0.27108  -0.50775 1  MET AA CB  
6   C CG  . MET A 1  ? 1.44788 2.74062 1.84456 0.30732  0.25779  -0.52114 1  MET AA CG  
7   S SD  . MET A 1  ? 1.59723 2.89546 1.99777 0.29397  0.23973  -0.53976 1  MET AA SD  
8   C CE  . MET A 1  ? 1.37235 2.68265 1.77705 0.29612  0.23772  -0.53783 1  MET AA CE  
9   N N   . VAL A 2  ? 1.38073 2.58780 1.77920 0.30055  0.27393  -0.51656 2  VAL AA N   
10  C CA  . VAL A 2  ? 1.36258 2.55060 1.76079 0.29360  0.27016  -0.52488 2  VAL AA CA  
11  C C   . VAL A 2  ? 1.30049 2.48765 1.70104 0.28439  0.25775  -0.53744 2  VAL AA C   
12  O O   . VAL A 2  ? 1.39923 2.58283 1.80019 0.28549  0.25987  -0.53460 2  VAL AA O   
13  C CB  . VAL A 2  ? 1.34350 2.50277 1.73942 0.29882  0.28434  -0.51478 2  VAL AA CB  
14  C CG1 . VAL A 2  ? 1.25673 2.39535 1.65305 0.29197  0.28008  -0.52386 2  VAL AA CG1 
15  C CG2 . VAL A 2  ? 1.41190 2.57302 1.80618 0.30790  0.29696  -0.50239 2  VAL AA CG2 
16  N N   . LYS A 3  ? 1.24063 2.42839 1.64329 0.27526  0.24588  -0.55123 3  LYS AA N   
17  C CA  . LYS A 3  ? 1.22518 2.41041 1.63037 0.26649  0.23445  -0.56320 3  LYS AA CA  
18  C C   . LYS A 3  ? 1.24444 2.40072 1.64883 0.26374  0.23659  -0.56543 3  LYS AA C   
19  O O   . LYS A 3  ? 1.27261 2.41477 1.67653 0.26480  0.24116  -0.56406 3  LYS AA O   
20  C CB  . LYS A 3  ? 1.25328 2.45815 1.66242 0.25743  0.21866  -0.57840 3  LYS AA CB  
21  N N   . VAL A 4  ? 1.24373 2.39144 1.64820 0.26012  0.23306  -0.56954 4  VAL AA N   
22  C CA  . VAL A 4  ? 1.22853 2.34944 1.63168 0.25704  0.23321  -0.57338 4  VAL AA CA  
23  C C   . VAL A 4  ? 1.28515 2.40910 1.69205 0.24688  0.21846  -0.58855 4  VAL AA C   
24  O O   . VAL A 4  ? 1.21499 2.34665 1.62233 0.24543  0.21582  -0.58989 4  VAL AA O   
25  C CB  . VAL A 4  ? 1.17608 2.27572 1.57379 0.26440  0.24731  -0.56106 4  VAL AA CB  
26  C CG1 . VAL A 4  ? 1.30569 2.37833 1.70091 0.26114  0.24623  -0.56625 4  VAL AA CG1 
27  C CG2 . VAL A 4  ? 1.19763 2.29250 1.59252 0.27418  0.26208  -0.54639 4  VAL AA CG2 
28  N N   . LYS A 5  ? 1.30952 2.42505 1.71968 0.24025  0.21003  -0.59947 5  LYS AA N   
29  C CA  . LYS A 5  ? 1.30309 2.42316 1.71874 0.22974  0.19446  -0.61556 5  LYS AA CA  
30  C C   . LYS A 5  ? 1.26609 2.35847 1.67986 0.22829  0.19500  -0.61830 5  LYS AA C   
31  O O   . LYS A 5  ? 1.16643 2.24081 1.57975 0.22994  0.19870  -0.61745 5  LYS AA O   
32  C CB  . LYS A 5  ? 1.17988 2.31373 1.60253 0.22292  0.18361  -0.62716 5  LYS AA CB  
33  N N   . PHE A 6  ? 1.36836 2.45769 1.78168 0.22468  0.19035  -0.62301 6  PHE AA N   
34  C CA  . PHE A 6  ? 1.21614 2.27814 1.62556 0.22479  0.19249  -0.62400 6  PHE AA CA  
35  C C   . PHE A 6  ? 1.25586 2.32035 1.66950 0.21616  0.17971  -0.63705 6  PHE AA C   
36  O O   . PHE A 6  ? 1.32493 2.41068 1.74281 0.21173  0.17267  -0.64209 6  PHE AA O   
37  C CB  . PHE A 6  ? 1.16441 2.21095 1.56451 0.23386  0.20850  -0.60930 6  PHE AA CB  
38  C CG  . PHE A 6  ? 1.16909 2.23142 1.56949 0.23420  0.20990  -0.60641 6  PHE AA CG  
39  C CD1 . PHE A 6  ? 1.23181 2.31925 1.63533 0.23643  0.21095  -0.60192 6  PHE AA CD1 
40  C CD2 . PHE A 6  ? 1.20361 2.25614 1.60170 0.23225  0.20991  -0.60882 6  PHE AA CD2 
41  C CE1 . PHE A 6  ? 1.32913 2.43165 1.73433 0.23679  0.21175  -0.60006 6  PHE AA CE1 
42  C CE2 . PHE A 6  ? 1.23088 2.29771 1.63076 0.23233  0.21163  -0.60674 6  PHE AA CE2 
43  C CZ  . PHE A 6  ? 1.26463 2.35681 1.66863 0.23451  0.21226  -0.60261 6  PHE AA CZ  
44  N N   . LYS A 7  ? 1.19867 2.24104 1.61138 0.21400  0.17662  -0.64276 7  LYS AA N   
45  C CA  . LYS A 7  ? 1.18869 2.22967 1.60501 0.20662  0.16554  -0.65441 7  LYS AA CA  
46  C C   . LYS A 7  ? 1.17463 2.19836 1.58134 0.21140  0.17564  -0.64668 7  LYS AA C   
47  O O   . LYS A 7  ? 1.12506 2.12393 1.52238 0.21840  0.18703  -0.63799 7  LYS AA O   
48  C CB  . LYS A 7  ? 1.07574 2.10383 1.49761 0.20155  0.15552  -0.66587 7  LYS AA CB  
49  C CG  . LYS A 7  ? 1.13025 2.16663 1.56055 0.19201  0.14034  -0.68050 7  LYS AA CG  
50  C CD  . LYS A 7  ? 1.18648 2.22932 1.62937 0.18447  0.12665  -0.69419 7  LYS AA CD  
51  C CE  . LYS A 7  ? 1.06153 2.10149 1.51188 0.17684  0.11339  -0.70757 7  LYS AA CE  
52  N NZ  . LYS A 7  ? 0.95834 2.00584 1.42366 0.16856  0.09886  -0.72237 7  LYS AA NZ  
53  N N   . TYR A 8  ? 1.26787 2.30438 1.67679 0.20780  0.17227  -0.64978 8  TYR AA N   
54  C CA  . TYR A 8  ? 1.35362 2.37491 1.75492 0.21100  0.18122  -0.64435 8  TYR AA CA  
55  C C   . TYR A 8  ? 1.37877 2.39816 1.78429 0.20311  0.16959  -0.65714 8  TYR AA C   
56  O O   . TYR A 8  ? 1.33576 2.37779 1.75019 0.19621  0.15945  -0.66556 8  TYR AA O   
57  C CB  . TYR A 8  ? 1.31047 2.34667 1.71117 0.21480  0.19028  -0.63527 8  TYR AA CB  
58  C CG  . TYR A 8  ? 1.29455 2.31382 1.68853 0.21736  0.19982  -0.63087 8  TYR AA CG  
59  C CD1 . TYR A 8  ? 1.31421 2.30672 1.69641 0.22609  0.21633  -0.61868 8  TYR AA CD1 
60  C CD2 . TYR A 8  ? 1.30898 2.33725 1.70794 0.21109  0.19309  -0.63910 8  TYR AA CD2 
61  C CE1 . TYR A 8  ? 1.41351 2.38820 1.78828 0.22875  0.22659  -0.61450 8  TYR AA CE1 
62  C CE2 . TYR A 8  ? 1.39286 2.40349 1.78512 0.21373  0.20342  -0.63479 8  TYR AA CE2 
63  C CZ  . TYR A 8  ? 1.47518 2.45868 1.85494 0.22260  0.22045  -0.62246 8  TYR AA CZ  
64  O OH  . TYR A 8  ? 1.50981 2.47429 1.88180 0.22539  0.23185  -0.61821 8  TYR AA OH  
65  N N   . LYS A 9  ? 1.43359 2.42546 1.83208 0.20460  0.17158  -0.65832 9  LYS AA N   
66  C CA  . LYS A 9  ? 1.40150 2.38669 1.80228 0.19853  0.16227  -0.66917 9  LYS AA CA  
67  C C   . LYS A 9  ? 1.29026 2.29615 1.70618 0.18868  0.14317  -0.68433 9  LYS AA C   
68  O O   . LYS A 9  ? 1.27146 2.29159 1.69572 0.18126  0.13287  -0.69410 9  LYS AA O   
69  C CB  . LYS A 9  ? 1.32930 2.31864 1.72815 0.19799  0.16764  -0.66692 9  LYS AA CB  
70  N N   . GLY A 10 ? 1.24058 2.24678 1.66052 0.18860  0.13885  -0.68661 10 GLY AA N   
71  C CA  . GLY A 10 ? 1.32721 2.35340 1.76248 0.17922  0.12162  -0.70105 10 GLY AA CA  
72  C C   . GLY A 10 ? 1.39772 2.45631 1.84088 0.17436  0.11607  -0.70417 10 GLY AA C   
73  O O   . GLY A 10 ? 1.35470 2.43037 1.80988 0.16615  0.10219  -0.71659 10 GLY AA O   
74  N N   . GLU A 11 ? 1.45521 1.95929 2.13510 -0.12461 -0.26831 0.00502  11 GLU AA N   
75  C CA  . GLU A 11 ? 1.50911 2.05846 2.20076 -0.13500 -0.27698 0.00341  11 GLU AA CA  
76  C C   . GLU A 11 ? 1.54608 2.11919 2.23872 -0.14480 -0.27951 0.01546  11 GLU AA C   
77  O O   . GLU A 11 ? 1.55108 2.09546 2.26017 -0.14155 -0.27567 0.04454  11 GLU AA O   
78  C CB  . GLU A 11 ? 1.43301 1.96280 2.16399 -0.12939 -0.27948 0.02276  11 GLU AA CB  
79  C CG  . GLU A 11 ? 1.47515 2.04472 2.22183 -0.14082 -0.29045 0.02732  11 GLU AA CG  
80  C CD  . GLU A 11 ? 1.49556 2.04270 2.28607 -0.13674 -0.29327 0.05576  11 GLU AA CD  
81  O OE1 . GLU A 11 ? 1.46188 1.96527 2.27250 -0.12444 -0.28484 0.07086  11 GLU AA OE1 
82  O OE2 . GLU A 11 ? 1.43769 2.01139 2.24320 -0.14639 -0.30384 0.06362  11 GLU AA OE2 
83  N N   . GLU A 12 ? 1.52862 2.15236 2.20639 -0.15639 -0.28638 -0.00571 12 GLU AA N   
84  C CA  . GLU A 12 ? 1.46131 2.10323 2.14288 -0.16593 -0.29180 0.00493  12 GLU AA CA  
85  C C   . GLU A 12 ? 1.49295 2.13232 2.20707 -0.17022 -0.29902 0.03543  12 GLU AA C   
86  O O   . GLU A 12 ? 1.47195 2.12092 2.20278 -0.17039 -0.30464 0.03291  12 GLU AA O   
87  C CB  . GLU A 12 ? 1.35956 2.05217 2.02303 -0.17428 -0.29826 -0.03174 12 GLU AA CB  
88  C CG  . GLU A 12 ? 1.45263 2.15262 2.08848 -0.17197 -0.29273 -0.05866 12 GLU AA CG  
89  C CD  . GLU A 12 ? 1.58627 2.25079 2.21394 -0.17204 -0.28897 -0.03425 12 GLU AA CD  
90  O OE1 . GLU A 12 ? 1.63124 2.27554 2.27295 -0.17584 -0.29115 0.00168  12 GLU AA OE1 
91  O OE2 . GLU A 12 ? 1.38323 2.04259 1.98917 -0.16951 -0.28453 -0.04978 12 GLU AA OE2 
92  N N   . LYS A 13 ? 1.37982 2.00533 2.10267 -0.17462 -0.29969 0.06755  13 LYS AA N   
93  C CA  . LYS A 13 ? 1.38715 2.00842 2.14223 -0.17918 -0.30607 0.10336  13 LYS AA CA  
94  C C   . LYS A 13 ? 1.41017 2.03839 2.15837 -0.19065 -0.31098 0.12573  13 LYS AA C   
95  O O   . LYS A 13 ? 1.37226 1.99603 2.09592 -0.19188 -0.30722 0.11976  13 LYS AA O   
96  C CB  . LYS A 13 ? 1.36737 1.94254 2.15362 -0.16574 -0.29644 0.13568  13 LYS AA CB  
97  C CG  . LYS A 13 ? 1.39342 1.95026 2.18995 -0.15378 -0.29098 0.12243  13 LYS AA CG  
98  C CD  . LYS A 13 ? 1.40240 1.92051 2.24128 -0.14272 -0.28340 0.15895  13 LYS AA CD  
99  C CE  . LYS A 13 ? 1.38093 1.88539 2.23378 -0.13420 -0.28183 0.14730  13 LYS AA CE  
100 N NZ  . LYS A 13 ? 1.37777 1.83544 2.24620 -0.11817 -0.26645 0.15997  13 LYS AA NZ  
101 N N   . GLU A 14 ? 1.35317 1.98794 2.12432 -0.19921 -0.31995 0.15617  14 GLU AA N   
102 C CA  . GLU A 14 ? 1.35649 1.98461 2.12658 -0.20720 -0.32250 0.18875  14 GLU AA CA  
103 C C   . GLU A 14 ? 1.37612 1.99977 2.18356 -0.21122 -0.32970 0.22960  14 GLU AA C   
104 O O   . GLU A 14 ? 1.38221 2.01258 2.21294 -0.21088 -0.33500 0.23101  14 GLU AA O   
105 C CB  . GLU A 14 ? 1.37592 2.03324 2.11226 -0.22262 -0.33036 0.17532  14 GLU AA CB  
106 C CG  . GLU A 14 ? 1.43554 2.12118 2.17142 -0.24017 -0.34467 0.18828  14 GLU AA CG  
107 C CD  . GLU A 14 ? 1.55314 2.26901 2.29323 -0.24479 -0.35369 0.16341  14 GLU AA CD  
108 O OE1 . GLU A 14 ? 1.57784 2.29161 2.32642 -0.23338 -0.34907 0.13880  14 GLU AA OE1 
109 O OE2 . GLU A 14 ? 1.59407 2.33643 2.32449 -0.26090 -0.36596 0.16695  14 GLU AA OE2 
110 N N   . VAL A 15 ? 1.30378 1.91519 2.11734 -0.21547 -0.33080 0.26465  15 VAL AA N   
111 C CA  . VAL A 15 ? 1.40625 2.01258 2.25719 -0.21930 -0.33778 0.30778  15 VAL AA CA  
112 C C   . VAL A 15 ? 1.42833 2.03656 2.27091 -0.23122 -0.34482 0.33670  15 VAL AA C   
113 O O   . VAL A 15 ? 1.33927 1.94222 2.15189 -0.23290 -0.34115 0.32930  15 VAL AA O   
114 C CB  . VAL A 15 ? 1.41267 1.98319 2.30748 -0.20098 -0.32531 0.33374  15 VAL AA CB  
115 C CG1 . VAL A 15 ? 1.38415 1.94854 2.28359 -0.18961 -0.31799 0.30628  15 VAL AA CG1 
116 C CG2 . VAL A 15 ? 1.36637 1.90594 2.25984 -0.19041 -0.31254 0.34922  15 VAL AA CG2 
117 N N   . ASP A 16 ? 1.39995 2.01411 2.27009 -0.23992 -0.35602 0.37136  16 ASP AA N   
118 C CA  . ASP A 16 ? 1.39826 2.01431 2.26451 -0.25249 -0.36517 0.40298  16 ASP AA CA  
119 C C   . ASP A 16 ? 1.36396 1.94549 2.24617 -0.23980 -0.35415 0.42994  16 ASP AA C   
120 O O   . ASP A 16 ? 1.36646 1.92151 2.28086 -0.22092 -0.34026 0.43845  16 ASP AA O   
121 C CB  . ASP A 16 ? 1.39908 2.02757 2.29633 -0.26385 -0.38058 0.43491  16 ASP AA CB  
122 N N   . THR A 17 ? 1.37680 1.95817 2.23705 -0.25041 -0.36024 0.44400  17 THR AA N   
123 C CA  . THR A 17 ? 1.31417 1.86326 2.18722 -0.23961 -0.35179 0.46866  17 THR AA CA  
124 C C   . THR A 17 ? 1.31596 1.84827 2.24906 -0.22879 -0.34857 0.50945  17 THR AA C   
125 O O   . THR A 17 ? 1.28327 1.78607 2.24682 -0.20940 -0.33255 0.52269  17 THR AA O   
126 C CB  . THR A 17 ? 1.31095 1.86516 2.15322 -0.25679 -0.36364 0.48271  17 THR AA CB  
127 O OG1 . THR A 17 ? 1.25280 1.81492 2.04264 -0.26344 -0.36226 0.44850  17 THR AA OG1 
128 C CG2 . THR A 17 ? 1.31811 1.84008 2.18693 -0.24690 -0.35905 0.51813  17 THR AA CG2 
129 N N   . SER A 18 ? 1.27928 1.83121 2.23064 -0.24187 -0.36345 0.53012  18 SER AA N   
130 C CA  . SER A 18 ? 1.32224 1.86265 2.33429 -0.23385 -0.36236 0.57036  18 SER AA CA  
131 C C   . SER A 18 ? 1.36374 1.88434 2.41067 -0.21134 -0.34265 0.56491  18 SER AA C   
132 O O   . SER A 18 ? 1.36678 1.86174 2.45836 -0.19449 -0.32752 0.59298  18 SER AA O   
133 C CB  . SER A 18 ? 1.45509 2.02265 2.47518 -0.25263 -0.38290 0.58298  18 SER AA CB  
134 O OG  . SER A 18 ? 1.47267 2.05904 2.47863 -0.25581 -0.38549 0.55062  18 SER AA OG  
135 N N   . LYS A 19 ? 1.36455 1.89699 2.39498 -0.21095 -0.34172 0.53061  19 LYS AA N   
136 C CA  . LYS A 19 ? 1.38386 1.89987 2.45271 -0.19328 -0.32692 0.53172  19 LYS AA CA  
137 C C   . LYS A 19 ? 1.39375 1.87593 2.47163 -0.17131 -0.30238 0.53041  19 LYS AA C   
138 O O   . LYS A 19 ? 1.37988 1.84422 2.49172 -0.15539 -0.28634 0.53526  19 LYS AA O   
139 C CB  . LYS A 19 ? 1.47121 2.00574 2.51796 -0.19794 -0.33232 0.49331  19 LYS AA CB  
140 C CG  . LYS A 19 ? 1.49695 2.06740 2.52443 -0.22089 -0.35605 0.48577  19 LYS AA CG  
141 C CD  . LYS A 19 ? 1.57209 2.16064 2.58320 -0.22401 -0.36083 0.44765  19 LYS AA CD  
142 C CE  . LYS A 19 ? 1.46861 2.08393 2.42030 -0.23567 -0.36647 0.40185  19 LYS AA CE  
143 N NZ  . LYS A 19 ? 1.63252 2.28434 2.56067 -0.25606 -0.38529 0.38577  19 LYS AA NZ  
144 N N   . ILE A 20 ? 1.42566 1.89827 2.47194 -0.17119 -0.29941 0.52339  20 ILE AA N   
145 C CA  . ILE A 20 ? 1.36351 1.80448 2.40963 -0.15245 -0.27819 0.51698  20 ILE AA CA  
146 C C   . ILE A 20 ? 1.45947 1.87395 2.58039 -0.14128 -0.26718 0.57769  20 ILE AA C   
147 O O   . ILE A 20 ? 1.44017 1.86150 2.58628 -0.14915 -0.27660 0.61238  20 ILE AA O   
148 C CB  . ILE A 20 ? 1.34157 1.78215 2.33459 -0.16083 -0.28493 0.49598  20 ILE AA CB  
149 C CG1 . ILE A 20 ? 1.36265 1.82763 2.30444 -0.17178 -0.29359 0.44872  20 ILE AA CG1 
150 C CG2 . ILE A 20 ? 1.34672 1.74952 2.36135 -0.14674 -0.27180 0.51295  20 ILE AA CG2 
151 C CD1 . ILE A 20 ? 1.32470 1.79503 2.21187 -0.18280 -0.30061 0.42609  20 ILE AA CD1 
152 N N   . LYS A 21 ? 1.33782 1.72127 2.49584 -0.12299 -0.24440 0.59023  21 LYS AA N   
153 C CA  . LYS A 21 ? 1.34596 1.70370 2.57971 -0.11066 -0.22282 0.64360  21 LYS AA CA  
154 C C   . LYS A 21 ? 1.21682 1.54765 2.45625 -0.10502 -0.20953 0.65283  21 LYS AA C   
155 O O   . LYS A 21 ? 1.18762 1.51679 2.43630 -0.11326 -0.21609 0.67813  21 LYS AA O   
156 C CB  . LYS A 21 ? 1.37948 1.72543 2.66392 -0.09597 -0.19831 0.65496  21 LYS AA CB  
157 C CG  . LYS A 21 ? 1.42760 1.79806 2.69050 -0.10191 -0.21339 0.62885  21 LYS AA CG  
158 C CD  . LYS A 21 ? 1.50449 1.86561 2.82756 -0.09089 -0.19373 0.65349  21 LYS AA CD  
159 C CE  . LYS A 21 ? 1.49065 1.82398 2.82562 -0.07500 -0.16550 0.64302  21 LYS AA CE  
160 N NZ  . LYS A 21 ? 1.63361 1.96848 2.98953 -0.07054 -0.15953 0.63993  21 LYS AA NZ  
161 N N   . LYS A 22 ? 1.13049 1.44033 2.36651 -0.09320 -0.19105 0.63298  22 LYS AA N   
162 C CA  . LYS A 22 ? 1.09548 1.38716 2.34507 -0.08585 -0.17065 0.63535  22 LYS AA CA  
163 C C   . LYS A 22 ? 1.21565 1.49682 2.40189 -0.09572 -0.19467 0.60795  22 LYS AA C   
164 O O   . LYS A 22 ? 1.15761 1.44337 2.29597 -0.09447 -0.20439 0.56696  22 LYS AA O   
165 C CB  . LYS A 22 ? 1.11534 1.39866 2.40019 -0.06467 -0.12984 0.62493  22 LYS AA CB  
166 C CG  . LYS A 22 ? 1.26686 1.56080 2.60198 -0.05426 -0.10679 0.64400  22 LYS AA CG  
167 C CD  . LYS A 22 ? 1.44245 1.75740 2.83394 -0.04510 -0.08295 0.67352  22 LYS AA CD  
168 C CE  . LYS A 22 ? 1.52935 1.84790 2.97275 -0.02032 -0.03298 0.68027  22 LYS AA CE  
169 N NZ  . LYS A 22 ? 1.68235 2.01718 3.17925 -0.00320 -0.00270 0.70706  22 LYS AA NZ  
170 N N   . VAL A 23 ? 1.25660 1.53566 2.43510 -0.10366 -0.20275 0.61750  23 VAL AA N   
171 C CA  . VAL A 23 ? 1.15754 1.42547 2.27490 -0.11449 -0.22652 0.59455  23 VAL AA CA  
172 C C   . VAL A 23 ? 1.13215 1.39082 2.27349 -0.10641 -0.21008 0.59171  23 VAL AA C   
173 O O   . VAL A 23 ? 1.14362 1.41612 2.31899 -0.09996 -0.20376 0.61032  23 VAL AA O   
174 C CB  . VAL A 23 ? 1.10804 1.39942 2.16589 -0.13548 -0.26136 0.58944  23 VAL AA CB  
175 C CG1 . VAL A 23 ? 1.12070 1.40743 2.21533 -0.14546 -0.26508 0.63389  23 VAL AA CG1 
176 C CG2 . VAL A 23 ? 0.98985 1.27969 1.97553 -0.14592 -0.27928 0.55225  23 VAL AA CG2 
177 N N   . TRP A 24 ? 1.01915 1.25853 2.14164 -0.09939 -0.20568 0.56501  24 TRP AA N   
178 C CA  . TRP A 24 ? 1.06438 1.26133 2.14591 -0.06340 -0.18781 0.54479  24 TRP AA CA  
179 C C   . TRP A 24 ? 1.03236 1.21117 2.05088 -0.08348 -0.22366 0.52711  24 TRP AA C   
180 O O   . TRP A 24 ? 1.08533 1.28392 2.09636 -0.11358 -0.24897 0.51884  24 TRP AA O   
181 C CB  . TRP A 24 ? 0.99433 1.15216 2.06183 -0.03064 -0.14945 0.52276  24 TRP AA CB  
182 C CG  . TRP A 24 ? 1.20058 1.36761 2.31656 -0.00955 -0.11200 0.54012  24 TRP AA CG  
183 C CD1 . TRP A 24 ? 1.24105 1.37245 2.34216 0.01928  -0.08025 0.55333  24 TRP AA CD1 
184 C CD2 . TRP A 24 ? 1.25573 1.46357 2.43930 -0.01702 -0.09937 0.54567  24 TRP AA CD2 
185 N NE1 . TRP A 24 ? 1.27837 1.44163 2.44930 0.02927  -0.05046 0.57027  24 TRP AA NE1 
186 C CE2 . TRP A 24 ? 1.28006 1.48864 2.50038 0.00638  -0.06163 0.56608  24 TRP AA CE2 
187 C CE3 . TRP A 24 ? 1.07623 1.30044 2.27344 -0.04232 -0.11608 0.53515  24 TRP AA CE3 
188 C CZ2 . TRP A 24 ? 1.45681 1.69592 2.74064 0.00149  -0.04278 0.57889  24 TRP AA CZ2 
189 C CZ3 . TRP A 24 ? 1.19193 1.42352 2.42742 -0.04205 -0.09765 0.54509  24 TRP AA CZ3 
190 C CH2 . TRP A 24 ? 1.25981 1.50642 2.54686 -0.02476 -0.06286 0.56815  24 TRP AA CH2 
191 N N   . ARG A 25 ? 1.27524 1.38200 2.20891 -0.06539 -0.21759 0.51690  25 ARG AA N   
192 C CA  . ARG A 25 ? 1.27981 1.35623 2.14341 -0.08314 -0.24701 0.49848  25 ARG AA CA  
193 C C   . ARG A 25 ? 1.29846 1.29452 2.09206 -0.05523 -0.21833 0.46513  25 ARG AA C   
194 O O   . ARG A 25 ? 1.31959 1.23383 2.04870 -0.02060 -0.17764 0.45592  25 ARG AA O   
195 C CB  . ARG A 25 ? 1.33856 1.37473 2.13715 -0.08979 -0.26011 0.50675  25 ARG AA CB  
196 C CG  . ARG A 25 ? 1.33167 1.34272 2.06063 -0.11432 -0.29317 0.48902  25 ARG AA CG  
197 C CD  . ARG A 25 ? 1.42730 1.42527 2.11100 -0.13390 -0.31700 0.50193  25 ARG AA CD  
198 N NE  . ARG A 25 ? 1.44408 1.51998 2.15325 -0.18531 -0.36888 0.51168  25 ARG AA NE  
199 C CZ  . ARG A 25 ? 1.53400 1.66705 2.27668 -0.21768 -0.39160 0.53759  25 ARG AA CZ  
200 N NH1 . ARG A 25 ? 1.50608 1.64821 2.28807 -0.20104 -0.37572 0.55894  25 ARG AA NH1 
201 N NH2 . ARG A 25 ? 1.59371 1.73382 2.27717 -0.25154 -0.40940 0.53792  25 ARG AA NH2 
202 N N   . ALA A 26 ? 1.26610 1.28318 2.06820 -0.07128 -0.24001 0.44651  26 ALA AA N   
203 C CA  . ALA A 26 ? 1.27812 1.22913 2.02422 -0.04923 -0.21622 0.41351  26 ALA AA CA  
204 C C   . ALA A 26 ? 1.31982 1.24784 2.00592 -0.07385 -0.25329 0.39624  26 ALA AA C   
205 O O   . ALA A 26 ? 1.23970 1.22187 1.96776 -0.09875 -0.28876 0.39004  26 ALA AA O   
206 C CB  . ALA A 26 ? 1.20801 1.20807 2.02854 -0.04558 -0.20856 0.40673  26 ALA AA CB  
207 N N   . GLY A 27 ? 1.47824 1.32729 2.06680 -0.06750 -0.24669 0.38937  27 GLY AA N   
208 C CA  . GLY A 27 ? 1.46040 1.28487 1.98826 -0.09194 -0.28050 0.37292  27 GLY AA CA  
209 C C   . GLY A 27 ? 1.33951 1.25070 1.91603 -0.13910 -0.33735 0.39165  27 GLY AA C   
210 O O   . GLY A 27 ? 1.23403 1.17453 1.82198 -0.15350 -0.35014 0.41664  27 GLY AA O   
211 N N   . LYS A 28 ? 1.27685 1.23814 1.87606 -0.16349 -0.36829 0.37365  28 LYS AA N   
212 C CA  . LYS A 28 ? 1.30094 1.35309 1.89010 -0.19519 -0.38643 0.35756  28 LYS AA CA  
213 C C   . LYS A 28 ? 1.25915 1.38174 1.87860 -0.18575 -0.35820 0.34401  28 LYS AA C   
214 O O   . LYS A 28 ? 1.30044 1.47442 1.88232 -0.19681 -0.35087 0.32399  28 LYS AA O   
215 C CB  . LYS A 28 ? 1.39030 1.44075 1.90660 -0.20243 -0.38676 0.31110  28 LYS AA CB  
216 N N   . ALA A 29 ? 1.16869 1.29041 1.85632 -0.16510 -0.34261 0.35539  29 ALA AA N   
217 C CA  . ALA A 29 ? 1.06107 1.23593 1.77022 -0.15658 -0.31957 0.34117  29 ALA AA CA  
218 C C   . ALA A 29 ? 1.11030 1.29415 1.87859 -0.15115 -0.31275 0.38561  29 ALA AA C   
219 O O   . ALA A 29 ? 1.20244 1.34995 2.01936 -0.14477 -0.31630 0.42916  29 ALA AA O   
220 C CB  . ALA A 29 ? 1.07017 1.23774 1.80563 -0.13752 -0.30333 0.31704  29 ALA AA CB  
221 N N   . VAL A 30 ? 0.99341 1.22647 1.75487 -0.15370 -0.30246 0.37173  30 VAL AA N   
222 C CA  . VAL A 30 ? 0.90485 1.15156 1.71974 -0.14786 -0.29369 0.40735  30 VAL AA CA  
223 C C   . VAL A 30 ? 0.94270 1.19819 1.79269 -0.13060 -0.27323 0.39470  30 VAL AA C   
224 O O   . VAL A 30 ? 1.06498 1.35226 1.87692 -0.13358 -0.27032 0.35078  30 VAL AA O   
225 C CB  . VAL A 30 ? 0.87395 1.16436 1.65274 -0.16561 -0.30178 0.40146  30 VAL AA CB  
226 C CG1 . VAL A 30 ? 1.04224 1.33842 1.87646 -0.16124 -0.29746 0.44367  30 VAL AA CG1 
227 C CG2 . VAL A 30 ? 0.96376 1.24687 1.69451 -0.18511 -0.32083 0.40610  30 VAL AA CG2 
228 N N   . SER A 31 ? 0.79120 1.01828 1.71525 -0.11244 -0.25561 0.43259  31 SER AA N   
229 C CA  . SER A 31 ? 0.86277 1.09026 1.82414 -0.09637 -0.23363 0.42736  31 SER AA CA  
230 C C   . SER A 31 ? 0.98522 1.23338 1.98493 -0.09593 -0.22596 0.45793  31 SER AA C   
231 O O   . SER A 31 ? 1.13085 1.37517 2.15639 -0.10020 -0.22775 0.49507  31 SER AA O   
232 C CB  . SER A 31 ? 0.78800 0.97113 1.80051 -0.07787 -0.20943 0.44097  31 SER AA CB  
233 O OG  . SER A 31 ? 0.75494 0.93664 1.79941 -0.06434 -0.18511 0.43491  31 SER AA OG  
234 N N   . PHE A 32 ? 0.97475 1.24484 1.97764 -0.09281 -0.21976 0.44268  32 PHE AA N   
235 C CA  . PHE A 32 ? 1.10092 1.39051 2.13613 -0.09524 -0.21820 0.47191  32 PHE AA CA  
236 C C   . PHE A 32 ? 1.21110 1.51160 2.26526 -0.08838 -0.20810 0.46277  32 PHE AA C   
237 O O   . PHE A 32 ? 1.20679 1.50516 2.24155 -0.08387 -0.20468 0.42954  32 PHE AA O   
238 C CB  . PHE A 32 ? 1.04604 1.37374 2.02886 -0.11597 -0.24234 0.45599  32 PHE AA CB  
239 C CG  . PHE A 32 ? 1.06796 1.42903 1.98674 -0.12587 -0.25095 0.39821  32 PHE AA CG  
240 C CD1 . PHE A 32 ? 1.20626 1.59373 2.12617 -0.12673 -0.24968 0.38128  32 PHE AA CD1 
241 C CD2 . PHE A 32 ? 0.92477 1.29077 1.78618 -0.13395 -0.25838 0.36155  32 PHE AA CD2 
242 C CE1 . PHE A 32 ? 1.07506 1.49239 1.95138 -0.13589 -0.25715 0.33592  32 PHE AA CE1 
243 C CE2 . PHE A 32 ? 1.00633 1.40560 1.81671 -0.14065 -0.26008 0.30852  32 PHE AA CE2 
244 C CZ  . PHE A 32 ? 0.99171 1.41511 1.81955 -0.14282 -0.26239 0.30332  32 PHE AA CZ  
245 N N   . THR A 33 ? 1.13318 1.44759 2.22142 -0.09022 -0.20728 0.49158  33 THR AA N   
246 C CA  . THR A 33 ? 1.25176 1.57574 2.36682 -0.08579 -0.20033 0.49393  33 THR AA CA  
247 C C   . THR A 33 ? 1.40394 1.76221 2.51198 -0.10007 -0.21872 0.50086  33 THR AA C   
248 O O   . THR A 33 ? 1.41139 1.77285 2.52934 -0.10674 -0.22594 0.52879  33 THR AA O   
249 C CB  . THR A 33 ? 1.26983 1.56574 2.46221 -0.07013 -0.17019 0.53937  33 THR AA CB  
250 O OG1 . THR A 33 ? 1.37716 1.68003 2.60937 -0.07386 -0.16939 0.58215  33 THR AA OG1 
251 C CG2 . THR A 33 ? 1.24646 1.50681 2.45969 -0.05885 -0.14414 0.54719  33 THR AA CG2 
252 N N   . TYR A 34 ? 1.45611 1.83366 2.56428 -0.10265 -0.22275 0.48649  34 TYR AA N   
253 C CA  . TYR A 34 ? 1.43409 1.84635 2.52815 -0.11898 -0.24295 0.48407  34 TYR AA CA  
254 C C   . TYR A 34 ? 1.48260 1.89725 2.62265 -0.11604 -0.24110 0.50148  34 TYR AA C   
255 O O   . TYR A 34 ? 1.50881 1.90477 2.66689 -0.10297 -0.22489 0.49678  34 TYR AA O   
256 C CB  . TYR A 34 ? 1.51087 1.95359 2.55011 -0.13699 -0.26423 0.44476  34 TYR AA CB  
257 C CG  . TYR A 34 ? 1.36265 1.80975 2.38132 -0.13510 -0.26384 0.40596  34 TYR AA CG  
258 C CD1 . TYR A 34 ? 1.44618 1.90962 2.48222 -0.14035 -0.27301 0.40281  34 TYR AA CD1 
259 C CD2 . TYR A 34 ? 1.37432 1.80772 2.35815 -0.12812 -0.25530 0.37360  34 TYR AA CD2 
260 C CE1 . TYR A 34 ? 1.43009 1.89701 2.44912 -0.13860 -0.27357 0.36853  34 TYR AA CE1 
261 C CE2 . TYR A 34 ? 1.42672 1.86441 2.39299 -0.12661 -0.25598 0.33866  34 TYR AA CE2 
262 C CZ  . TYR A 34 ? 1.43411 1.88857 2.41829 -0.13143 -0.26475 0.33580  34 TYR AA CZ  
263 O OH  . TYR A 34 ? 1.34093 1.79855 2.30967 -0.12956 -0.26599 0.30263  34 TYR AA OH  
264 N N   . ASP A 35 ? 1.45391 1.89323 2.60775 -0.13068 -0.26046 0.51826  35 ASP AA N   
265 C CA  . ASP A 35 ? 1.63267 2.07709 2.82923 -0.13144 -0.26399 0.53674  35 ASP AA CA  
266 C C   . ASP A 35 ? 1.64143 2.11490 2.80883 -0.14799 -0.28714 0.50747  35 ASP AA C   
267 O O   . ASP A 35 ? 1.63627 2.13564 2.78788 -0.16563 -0.30789 0.50909  35 ASP AA O   
268 C CB  . ASP A 35 ? 1.70675 2.15262 2.95192 -0.13393 -0.26641 0.58622  35 ASP AA CB  
269 C CG  . ASP A 35 ? 1.77922 2.22503 3.08047 -0.13240 -0.26630 0.61555  35 ASP AA CG  
270 O OD1 . ASP A 35 ? 1.80044 2.22319 3.14439 -0.11593 -0.24174 0.63660  35 ASP AA OD1 
271 O OD2 . ASP A 35 ? 1.94488 2.41416 3.24918 -0.14891 -0.29053 0.62131  35 ASP AA OD2 
272 N N   . ASP A 36 ? 1.75127 2.21995 2.91421 -0.14251 -0.28309 0.48229  36 ASP AA N   
273 C CA  . ASP A 36 ? 1.89344 2.38787 3.03031 -0.15602 -0.30239 0.45152  36 ASP AA CA  
274 C C   . ASP A 36 ? 1.97244 2.46869 3.15910 -0.15894 -0.31037 0.48104  36 ASP AA C   
275 O O   . ASP A 36 ? 1.96305 2.44086 3.17930 -0.14787 -0.29932 0.48695  36 ASP AA O   
276 C CB  . ASP A 36 ? 1.76057 2.25143 2.85944 -0.15040 -0.29680 0.40466  36 ASP AA CB  
277 C CG  . ASP A 36 ? 1.75639 2.21282 2.87761 -0.13110 -0.27466 0.40792  36 ASP AA CG  
278 O OD1 . ASP A 36 ? 1.82791 2.26502 2.99880 -0.12165 -0.26189 0.44675  36 ASP AA OD1 
279 O OD2 . ASP A 36 ? 1.58789 2.03680 2.67749 -0.12554 -0.26900 0.37248  36 ASP AA OD2 
280 N N   . ASN A 37 ? 1.91804 2.43520 3.11524 -0.17454 -0.32966 0.50277  37 ASN AA N   
281 C CA  . ASN A 37 ? 2.00600 2.52386 3.25766 -0.17890 -0.33886 0.54349  37 ASN AA CA  
282 C C   . ASN A 37 ? 1.96906 2.45665 3.27345 -0.15949 -0.31415 0.57631  37 ASN AA C   
283 O O   . ASN A 37 ? 1.90821 2.38059 3.22157 -0.14896 -0.29667 0.59305  37 ASN AA O   
284 C CB  . ASN A 37 ? 2.13610 2.67002 3.38151 -0.18985 -0.35760 0.52334  37 ASN AA CB  
285 C CG  . ASN A 37 ? 2.29637 2.85028 3.56190 -0.20860 -0.38311 0.54976  37 ASN AA CG  
286 O OD1 . ASN A 37 ? 2.24525 2.81799 3.48578 -0.22234 -0.39608 0.54965  37 ASN AA OD1 
287 N ND2 . ASN A 37 ? 2.50026 3.05060 3.80743 -0.21093 -0.39200 0.57098  37 ASN AA ND2 
288 N N   . GLY A 38 ? 2.04053 2.51812 3.37866 -0.15387 -0.31010 0.58417  38 GLY AA N   
289 C CA  . GLY A 38 ? 2.07436 2.52641 3.46873 -0.13701 -0.28501 0.62095  38 GLY AA CA  
290 C C   . GLY A 38 ? 1.92621 2.35242 3.30446 -0.11823 -0.25527 0.60392  38 GLY AA C   
291 O O   . GLY A 38 ? 1.91153 2.31935 3.31988 -0.10521 -0.23116 0.63185  38 GLY AA O   
292 N N   . LYS A 39 ? 2.03579 2.46016 3.36630 -0.11702 -0.25614 0.55807  39 LYS AA N   
293 C CA  . LYS A 39 ? 1.93565 2.33265 3.25330 -0.09984 -0.22907 0.54322  39 LYS AA CA  
294 C C   . LYS A 39 ? 1.78852 2.18255 3.07049 -0.09732 -0.22278 0.53268  39 LYS AA C   
295 O O   . LYS A 39 ? 1.77404 2.18867 3.03733 -0.10959 -0.24007 0.53399  39 LYS AA O   
296 C CB  . LYS A 39 ? 1.86100 2.25374 3.14543 -0.09863 -0.23191 0.50053  39 LYS AA CB  
297 N N   . THR A 40 ? 1.77022 2.13703 3.04331 -0.08186 -0.19761 0.52363  40 THR AA N   
298 C CA  . THR A 40 ? 1.67128 2.02996 2.90927 -0.07798 -0.19028 0.51139  40 THR AA CA  
299 C C   . THR A 40 ? 1.69111 2.04541 2.87544 -0.07724 -0.19313 0.46336  40 THR AA C   
300 O O   . THR A 40 ? 1.76431 2.10174 2.95161 -0.06894 -0.18221 0.44978  40 THR AA O   
301 C CB  . THR A 40 ? 1.73137 2.05683 3.02567 -0.06310 -0.15933 0.55589  40 THR AA CB  
302 N N   . GLY A 41 ? 1.53866 1.90901 2.67555 -0.08700 -0.20820 0.43906  41 GLY AA N   
303 C CA  . GLY A 41 ? 1.39906 1.76817 2.48475 -0.08760 -0.21171 0.39428  41 GLY AA CA  
304 C C   . GLY A 41 ? 1.38808 1.74351 2.44649 -0.08388 -0.20496 0.38956  41 GLY AA C   
305 O O   . GLY A 41 ? 1.39091 1.74475 2.47049 -0.08591 -0.20524 0.42258  41 GLY AA O   
306 N N   . ARG A 42 ? 1.25410 1.59596 2.27953 -0.08007 -0.20247 0.35856  42 ARG AA N   
307 C CA  . ARG A 42 ? 1.06995 1.38613 2.09289 -0.07558 -0.19701 0.36765  42 ARG AA CA  
308 C C   . ARG A 42 ? 1.02394 1.36070 1.97599 -0.08621 -0.21197 0.31885  42 ARG AA C   
309 O O   . ARG A 42 ? 1.11621 1.47345 2.03612 -0.09085 -0.21857 0.28083  42 ARG AA O   
310 C CB  . ARG A 42 ? 1.10041 1.37043 2.16325 -0.05868 -0.17417 0.38296  42 ARG AA CB  
311 C CG  . ARG A 42 ? 1.29113 1.53826 2.42764 -0.04762 -0.14772 0.43514  42 ARG AA CG  
312 C CD  . ARG A 42 ? 1.20713 1.41579 2.37992 -0.03419 -0.11623 0.44362  42 ARG AA CD  
313 N NE  . ARG A 42 ? 1.00434 1.19812 2.22813 -0.02850 -0.08216 0.48218  42 ARG AA NE  
314 C CZ  . ARG A 42 ? 1.11612 1.30724 2.33287 -0.02955 -0.08023 0.48475  42 ARG AA CZ  
315 N NH1 . ARG A 42 ? 1.14405 1.33420 2.30717 -0.03722 -0.11345 0.46064  42 ARG AA NH1 
316 N NH2 . ARG A 42 ? 1.14032 1.34236 2.39730 -0.01763 -0.04492 0.50600  42 ARG AA NH2 
317 N N   . GLY A 43 ? 1.05691 1.38733 1.99156 -0.09078 -0.21728 0.32435  43 GLY AA N   
318 C CA  . GLY A 43 ? 1.09364 1.44726 1.96112 -0.10227 -0.22901 0.27937  43 GLY AA CA  
319 C C   . GLY A 43 ? 0.99535 1.33044 1.85207 -0.10620 -0.23468 0.29362  43 GLY AA C   
320 O O   . GLY A 43 ? 0.99560 1.30182 1.89743 -0.10000 -0.23027 0.33805  43 GLY AA O   
321 N N   . ALA A 44 ? 0.79518 1.14827 1.59344 -0.11667 -0.24321 0.25656  44 ALA AA N   
322 C CA  . ALA A 44 ? 0.79917 1.13320 1.58159 -0.12289 -0.25172 0.26890  44 ALA AA CA  
323 C C   . ALA A 44 ? 0.89098 1.25895 1.60591 -0.13659 -0.25823 0.22376  44 ALA AA C   
324 O O   . ALA A 44 ? 1.05337 1.44855 1.75193 -0.13954 -0.25928 0.19112  44 ALA AA O   
325 C CB  . ALA A 44 ? 0.80425 1.08638 1.61247 -0.11049 -0.24826 0.28275  44 ALA AA CB  
326 N N   . VAL A 45 ? 0.86492 1.22647 1.55926 -0.14751 -0.26836 0.23645  45 VAL AA N   
327 C CA  . VAL A 45 ? 1.01492 1.40218 1.65619 -0.16081 -0.27459 0.20361  45 VAL AA CA  
328 C C   . VAL A 45 ? 1.07999 1.43275 1.70305 -0.16658 -0.28386 0.22163  45 VAL AA C   
329 O O   . VAL A 45 ? 1.11957 1.43390 1.77878 -0.16443 -0.29127 0.26773  45 VAL AA O   
330 C CB  . VAL A 45 ? 1.00012 1.43067 1.63638 -0.17791 -0.28476 0.20845  45 VAL AA CB  
331 C CG1 . VAL A 45 ? 0.88865 1.34429 1.55752 -0.17612 -0.28355 0.21223  45 VAL AA CG1 
332 C CG2 . VAL A 45 ? 0.85038 1.26894 1.48491 -0.18647 -0.29176 0.24299  45 VAL AA CG2 
333 N N   . SER A 46 ? 1.05733 1.42283 1.63259 -0.17521 -0.28643 0.19170  46 SER AA N   
334 C CA  . SER A 46 ? 1.12740 1.45630 1.68185 -0.18471 -0.30032 0.21297  46 SER AA CA  
335 C C   . SER A 46 ? 1.21427 1.55179 1.76383 -0.19948 -0.31034 0.24293  46 SER AA C   
336 O O   . SER A 46 ? 1.26276 1.64345 1.80638 -0.20601 -0.30698 0.23182  46 SER AA O   
337 C CB  . SER A 46 ? 1.25133 1.58894 1.75679 -0.18814 -0.29827 0.17177  46 SER AA CB  
338 O OG  . SER A 46 ? 1.39644 1.77383 1.88378 -0.20531 -0.30553 0.16942  46 SER AA OG  
339 N N   . GLU A 47 ? 1.44084 1.69730 1.57675 0.12644  0.44643  -0.30240 47 GLU AA N   
340 C CA  . GLU A 47 ? 1.48002 1.75149 1.66071 0.08250  0.48093  -0.29362 47 GLU AA CA  
341 C C   . GLU A 47 ? 1.52864 1.82896 1.65293 0.06575  0.47801  -0.32237 47 GLU AA C   
342 O O   . GLU A 47 ? 1.58563 1.90232 1.73249 0.02474  0.50572  -0.32141 47 GLU AA O   
343 C CB  . GLU A 47 ? 1.45435 1.72056 1.67175 0.07818  0.48820  -0.26969 47 GLU AA CB  
344 C CG  . GLU A 47 ? 1.55838 1.83511 1.79571 0.03854  0.51551  -0.26639 47 GLU AA CG  
345 C CD  . GLU A 47 ? 1.74916 2.04637 1.94019 0.03859  0.50464  -0.29486 47 GLU AA CD  
346 O OE1 . GLU A 47 ? 1.82456 2.11155 2.00707 0.05292  0.49496  -0.31656 47 GLU AA OE1 
347 O OE2 . GLU A 47 ? 1.88238 2.20358 2.05828 0.01263  0.51452  -0.30222 47 GLU AA OE2 
348 N N   . LYS A 48 ? 1.45534 1.75490 1.50821 0.09344  0.44720  -0.34145 48 LYS AA N   
349 C CA  . LYS A 48 ? 1.41895 1.74587 1.42822 0.07418  0.44467  -0.36648 48 LYS AA CA  
350 C C   . LYS A 48 ? 1.53523 1.87660 1.51423 0.05948  0.44223  -0.38998 48 LYS AA C   
351 O O   . LYS A 48 ? 1.62025 1.99843 1.59730 0.02217  0.45789  -0.39986 48 LYS AA O   
352 C CB  . LYS A 48 ? 1.42949 1.77153 1.41264 0.07756  0.42585  -0.40830 48 LYS AA CB  
353 N N   . ASP A 49 ? 1.42443 1.73784 1.37045 0.08631  0.41930  -0.40233 49 ASP AA N   
354 C CA  . ASP A 49 ? 1.44979 1.77227 1.36157 0.07466  0.41085  -0.42969 49 ASP AA CA  
355 C C   . ASP A 49 ? 1.54262 1.87284 1.51367 0.03806  0.44916  -0.42145 49 ASP AA C   
356 O O   . ASP A 49 ? 1.73989 2.06545 1.67515 0.03290  0.43863  -0.44538 49 ASP AA O   
357 C CB  . ASP A 49 ? 1.46194 1.74006 1.31882 0.11347  0.37066  -0.44589 49 ASP AA CB  
358 C CG  . ASP A 49 ? 1.64580 1.89183 1.45833 0.14029  0.34705  -0.43977 49 ASP AA CG  
359 O OD1 . ASP A 49 ? 1.73217 2.01329 1.54073 0.12585  0.35210  -0.44532 49 ASP AA OD1 
360 O OD2 . ASP A 49 ? 1.72135 1.91854 1.51490 0.16563  0.32765  -0.43604 49 ASP AA OD2 
361 N N   . ALA A 50 ? 1.39922 1.73008 1.45890 0.00790  0.49513  -0.38126 50 ALA AA N   
362 C CA  . ALA A 50 ? 1.49321 1.79149 1.61937 -0.02431 0.52119  -0.33555 50 ALA AA CA  
363 C C   . ALA A 50 ? 1.57414 1.87673 1.69650 -0.07966 0.51436  -0.29397 50 ALA AA C   
364 O O   . ALA A 50 ? 1.60269 1.95899 1.72650 -0.10782 0.55697  -0.31589 50 ALA AA O   
365 C CB  . ALA A 50 ? 1.47689 1.74115 1.71176 -0.02093 0.55604  -0.28021 50 ALA AA CB  
366 N N   . PRO A 51 ? 1.45971 1.70699 1.57425 -0.09940 0.45903  -0.23268 51 PRO AA N   
367 C CA  . PRO A 51 ? 1.51042 1.76073 1.62167 -0.15369 0.45196  -0.19074 51 PRO AA CA  
368 C C   . PRO A 51 ? 1.60959 1.84645 1.82308 -0.18618 0.49739  -0.12991 51 PRO AA C   
369 O O   . PRO A 51 ? 1.58929 1.79188 1.87874 -0.16703 0.51426  -0.09544 51 PRO AA O   
370 C CB  . PRO A 51 ? 1.56636 1.74776 1.65227 -0.15937 0.37816  -0.13568 51 PRO AA CB  
371 C CG  . PRO A 51 ? 1.58596 1.71955 1.69402 -0.11606 0.35426  -0.12639 51 PRO AA CG  
372 C CD  . PRO A 51 ? 1.49051 1.67454 1.57908 -0.07361 0.39340  -0.20875 51 PRO AA CD  
373 N N   . LYS A 52 ? 1.59946 1.86380 1.81192 -0.23412 0.51550  -0.11648 52 LYS AA N   
374 C CA  . LYS A 52 ? 1.60231 1.85345 1.90348 -0.26511 0.55874  -0.06499 52 LYS AA CA  
375 C C   . LYS A 52 ? 1.61646 1.79139 1.99977 -0.26834 0.53860  0.02785  52 LYS AA C   
376 O O   . LYS A 52 ? 1.58721 1.74430 2.05294 -0.26565 0.57653  0.06168  52 LYS AA O   
377 C CB  . LYS A 52 ? 1.68659 1.97391 1.96511 -0.32058 0.57054  -0.06016 52 LYS AA CB  
378 C CG  . LYS A 52 ? 1.70143 1.96777 2.06304 -0.35706 0.60852  -0.00487 52 LYS AA CG  
379 C CD  . LYS A 52 ? 1.73600 2.02781 2.07071 -0.41599 0.60634  0.01125  52 LYS AA CD  
380 C CE  . LYS A 52 ? 1.81284 2.07503 2.19789 -0.42197 0.59902  0.06067  52 LYS AA CE  
381 N NZ  . LYS A 52 ? 1.86785 2.05949 2.31352 -0.42135 0.56775  0.14384  52 LYS AA NZ  
382 N N   . GLU A 53 ? 1.69343 1.82359 2.05528 -0.27305 0.47855  0.07109  53 GLU AA N   
383 C CA  . GLU A 53 ? 1.67852 1.74314 2.12089 -0.28207 0.45837  0.16584  53 GLU AA CA  
384 C C   . GLU A 53 ? 1.56534 1.61093 2.06748 -0.23616 0.47256  0.17529  53 GLU AA C   
385 O O   . GLU A 53 ? 1.57550 1.59491 2.16874 -0.23758 0.49473  0.23786  53 GLU AA O   
386 C CB  . GLU A 53 ? 1.68633 1.70582 2.08873 -0.29692 0.38666  0.20903  53 GLU AA CB  
387 C CG  . GLU A 53 ? 1.76866 1.72572 2.24898 -0.29518 0.35981  0.29955  53 GLU AA CG  
388 C CD  . GLU A 53 ? 1.86614 1.80095 2.42774 -0.33525 0.37800  0.38016  53 GLU AA CD  
389 O OE1 . GLU A 53 ? 1.92174 1.88861 2.48754 -0.35388 0.41909  0.35797  53 GLU AA OE1 
390 O OE2 . GLU A 53 ? 1.97266 1.86150 2.55444 -0.33217 0.32976  0.44142  53 GLU AA OE2 
391 N N   . LEU A 54 ? 1.52247 1.58407 1.97307 -0.19341 0.46112  0.11250  54 LEU AA N   
392 C CA  . LEU A 54 ? 1.48014 1.53350 1.98109 -0.14836 0.47934  0.11105  54 LEU AA CA  
393 C C   . LEU A 54 ? 1.43680 1.51722 2.00359 -0.14283 0.55088  0.10112  54 LEU AA C   
394 O O   . LEU A 54 ? 1.47189 1.52805 2.12412 -0.12831 0.56982  0.15491  54 LEU AA O   
395 C CB  . LEU A 54 ? 1.48255 1.55376 1.90682 -0.10645 0.45845  0.03455  54 LEU AA CB  
396 C CG  . LEU A 54 ? 1.44341 1.50431 1.91050 -0.05874 0.46863  0.03202  54 LEU AA CG  
397 C CD1 . LEU A 54 ? 1.45619 1.45742 1.96954 -0.06192 0.41861  0.12120  54 LEU AA CD1 
398 C CD2 . LEU A 54 ? 1.44889 1.53305 1.83030 -0.01922 0.45256  -0.05576 54 LEU AA CD2 
399 N N   . LEU A 55 ? 1.45116 1.58295 1.97774 -0.15353 0.58991  0.03363  55 LEU AA N   
400 C CA  . LEU A 55 ? 1.46251 1.60920 2.01777 -0.13745 0.63166  0.00995  55 LEU AA CA  
401 C C   . LEU A 55 ? 1.58677 1.69263 2.18915 -0.15672 0.62124  0.07721  55 LEU AA C   
402 O O   . LEU A 55 ? 1.61620 1.69697 2.24725 -0.12744 0.62427  0.08634  55 LEU AA O   
403 C CB  . LEU A 55 ? 1.40612 1.60632 1.88116 -0.14279 0.63849  -0.07039 55 LEU AA CB  
404 C CG  . LEU A 55 ? 1.36876 1.60677 1.77201 -0.10826 0.62718  -0.14732 55 LEU AA CG  
405 C CD1 . LEU A 55 ? 1.56468 1.85762 1.88320 -0.12080 0.61710  -0.20795 55 LEU AA CD1 
406 C CD2 . LEU A 55 ? 1.29515 1.51476 1.70132 -0.05760 0.60959  -0.16173 55 LEU AA CD2 
407 N N   . ASP A 56 ? 1.60856 1.70607 2.20838 -0.20346 0.60416  0.11932  56 ASP AA N   
408 C CA  . ASP A 56 ? 1.58167 1.63588 2.21828 -0.21471 0.57656  0.18863  56 ASP AA CA  
409 C C   . ASP A 56 ? 1.58335 1.59670 2.27442 -0.17871 0.55455  0.24182  56 ASP AA C   
410 O O   . ASP A 56 ? 1.60268 1.59531 2.32624 -0.15489 0.55502  0.26203  56 ASP AA O   
411 C CB  . ASP A 56 ? 1.60617 1.65547 2.21845 -0.26759 0.54609  0.22578  56 ASP AA CB  
412 C CG  . ASP A 56 ? 1.73870 1.83304 2.30268 -0.30322 0.56638  0.18155  56 ASP AA CG  
413 O OD1 . ASP A 56 ? 1.71504 1.84328 2.26151 -0.28401 0.59944  0.12059  56 ASP AA OD1 
414 O OD2 . ASP A 56 ? 1.82725 1.92545 2.36573 -0.34760 0.54629  0.20439  56 ASP AA OD2 
415 N N   . MET A 57 ? 1.57611 1.57677 2.27762 -0.17646 0.53084  0.27073  57 MET AA N   
416 C CA  . MET A 57 ? 1.51699 1.48982 2.26753 -0.13995 0.50621  0.31903  57 MET AA CA  
417 C C   . MET A 57 ? 1.51310 1.49334 2.29377 -0.08941 0.54202  0.28907  57 MET AA C   
418 O O   . MET A 57 ? 1.57357 1.53702 2.39806 -0.05900 0.53301  0.32535  57 MET AA O   
419 C CB  . MET A 57 ? 1.47222 1.43143 2.22177 -0.14421 0.47717  0.34360  57 MET AA CB  
420 N N   . LEU A 58 ? 1.53826 1.54723 2.28723 -0.07806 0.58012  0.21646  58 LEU AA N   
421 C CA  . LEU A 58 ? 1.53117 1.53700 2.28634 -0.03268 0.60154  0.18191  58 LEU AA CA  
422 C C   . LEU A 58 ? 1.59756 1.58312 2.36035 -0.02824 0.61260  0.18379  58 LEU AA C   
423 O O   . LEU A 58 ? 1.69129 1.64998 2.48465 0.00754  0.61713  0.19910  58 LEU AA O   
424 C CB  . LEU A 58 ? 1.41657 1.45877 2.10850 -0.02205 0.61635  0.09621  58 LEU AA CB  
425 C CG  . LEU A 58 ? 1.37803 1.41020 2.04882 0.01645  0.61493  0.05995  58 LEU AA CG  
426 C CD1 . LEU A 58 ? 1.45853 1.45673 2.18372 0.04869  0.60605  0.11277  58 LEU AA CD1 
427 C CD2 . LEU A 58 ? 1.29805 1.37145 1.88848 0.02782  0.60125  -0.01961 58 LEU AA CD2 
428 N N   . ALA A 59 ? 1.58920 1.58580 2.32461 -0.06476 0.61747  0.17040  59 ALA AA N   
429 C CA  . ALA A 59 ? 1.66792 1.64266 2.41483 -0.06062 0.62948  0.17398  59 ALA AA CA  
430 C C   . ALA A 59 ? 1.73677 1.68204 2.54132 -0.04771 0.61136  0.24499  59 ALA AA C   
431 O O   . ALA A 59 ? 1.72056 1.64041 2.55804 -0.01642 0.62441  0.25684  59 ALA AA O   
432 C CB  . ALA A 59 ? 1.70036 1.69700 2.40625 -0.10517 0.63542  0.14852  59 ALA AA CB  
433 N N   . ARG A 60 ? 1.69906 1.64889 2.51168 -0.07000 0.57718  0.29101  60 ARG AA N   
434 C CA  . ARG A 60 ? 1.76778 1.70333 2.62605 -0.05703 0.54868  0.35384  60 ARG AA CA  
435 C C   . ARG A 60 ? 1.76056 1.69205 2.67411 -0.00176 0.55370  0.37532  60 ARG AA C   
436 O O   . ARG A 60 ? 1.84011 1.76618 2.79966 0.02603  0.55504  0.40612  60 ARG AA O   
437 C CB  . ARG A 60 ? 1.74071 1.67895 2.58145 -0.09277 0.50182  0.39205  60 ARG AA CB  
438 N N   . ALA A 61 ? 1.71741 1.65510 2.62976 0.01505  0.55593  0.36244  61 ALA AA N   
439 C CA  . ALA A 61 ? 1.76279 1.69644 2.72360 0.06611  0.56052  0.38340  61 ALA AA CA  
440 C C   . ALA A 61 ? 1.79238 1.69532 2.75179 0.09865  0.59744  0.35277  61 ALA AA C   
441 O O   . ALA A 61 ? 1.69948 1.58701 2.69655 0.13941  0.60037  0.37958  61 ALA AA O   
442 C CB  . ALA A 61 ? 1.66935 1.61224 2.62347 0.07232  0.55112  0.37813  61 ALA AA CB  
443 N N   . GLU A 62 ? 1.81139 1.70296 2.72299 0.07783  0.62056  0.30063  62 GLU AA N   
444 C CA  . GLU A 62 ? 1.86962 1.72562 2.77010 0.09816  0.64535  0.27599  62 GLU AA CA  
445 C C   . GLU A 62 ? 1.96599 1.80441 2.90721 0.10647  0.65673  0.30613  62 GLU AA C   
446 O O   . GLU A 62 ? 1.99001 1.79064 2.92964 0.12440  0.67782  0.29607  62 GLU AA O   
447 C CB  . GLU A 62 ? 1.71655 1.58318 2.54164 0.07346  0.65639  0.19911  62 GLU AA CB  
448 C CG  . GLU A 62 ? 1.63685 1.53373 2.41789 0.07225  0.64087  0.16230  62 GLU AA CG  
449 C CD  . GLU A 62 ? 1.77887 1.71523 2.48518 0.04894  0.63928  0.08596  62 GLU AA CD  
450 O OE1 . GLU A 62 ? 1.76415 1.72420 2.45540 0.01942  0.64533  0.07023  62 GLU AA OE1 
451 O OE2 . GLU A 62 ? 1.70890 1.66138 2.36863 0.06152  0.62443  0.04539  62 GLU AA OE2 
452 N N   . ARG A 63 ? 1.88430 1.74968 2.85318 0.08779  0.63784  0.34334  63 ARG AA N   
453 C CA  . ARG A 63 ? 1.80624 1.66721 2.81331 0.09238  0.64077  0.37543  63 ARG AA CA  
454 C C   . ARG A 63 ? 1.94259 1.78174 2.91436 0.06870  0.66607  0.33560  63 ARG AA C   
455 O O   . ARG A 63 ? 1.92264 1.77756 2.85248 0.01994  0.65572  0.31894  63 ARG AA O   
456 C CB  . ARG A 63 ? 1.79958 1.64808 2.87334 0.14914  0.65265  0.41369  63 ARG AA CB  
457 C CG  . ARG A 63 ? 1.78174 1.67129 2.91001 0.17407  0.62458  0.46544  63 ARG AA CG  
458 C CD  . ARG A 63 ? 1.86341 1.74002 2.97418 0.19160  0.62340  0.45279  63 ARG AA CD  
459 N NE  . ARG A 63 ? 1.94092 1.75532 2.99989 0.19784  0.65073  0.41426  63 ARG AA NE  
460 C CZ  . ARG A 63 ? 1.96549 1.77267 2.99979 0.20663  0.64818  0.42097  63 ARG AA CZ  
461 N NH1 . ARG A 63 ? 1.77253 1.62147 2.84022 0.22313  0.62699  0.46406  63 ARG AA NH1 
462 N NH2 . ARG A 63 ? 1.98394 1.74487 2.96384 0.19600  0.66963  0.38435  63 ARG AA NH2 
# 
