data_8CMN
# 
_entry.id   8CMN 
# 
_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   8CMN         pdb_00008cmn 10.2210/pdb8cmn/pdb 
WWPDB D_1292128726 ?            ?                   
# 
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 2023-07-19 ? 
2 'Structure model' 1 1 2023-08-16 ? 
3 'Structure model' 1 2 2023-09-27 ? 
4 'Structure model' 2 0 2023-11-15 ? 
5 'Structure model' 2 1 2025-01-29 ? 
6 'Structure model' 2 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' 'Data collection'      
2 3 'Structure model' Other                  
3 4 'Structure model' Advisory               
4 4 'Structure model' 'Atomic model'         
5 4 'Structure model' 'Data collection'      
6 4 'Structure model' 'Derived calculations' 
7 5 'Structure model' 'Database references'  
8 5 'Structure model' 'Structure summary'    
9 6 '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' chem_comp                   
2  2 'Structure model' chem_comp_atom              
3  2 'Structure model' chem_comp_bond              
4  3 'Structure model' pdbx_database_status        
5  4 'Structure model' atom_site                   
6  4 'Structure model' chem_comp_atom              
7  4 'Structure model' chem_comp_bond              
8  4 'Structure model' pdbx_validate_peptide_omega 
9  4 'Structure model' pdbx_validate_rmsd_angle    
10 4 'Structure model' pdbx_validate_symm_contact  
11 4 'Structure model' struct_conn                 
12 5 'Structure model' citation                    
13 5 'Structure model' citation_author             
14 5 'Structure model' pdbx_entry_details          
15 5 'Structure model' pdbx_modification_feature   
16 6 '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' '_chem_comp.type'                                    
2  3 'Structure model' '_pdbx_database_status.process_site'                 
3  3 'Structure model' '_pdbx_database_status.status_code_sf'               
4  4 'Structure model' '_atom_site.auth_atom_id'                            
5  4 'Structure model' '_atom_site.label_atom_id'                           
6  4 'Structure model' '_chem_comp_atom.atom_id'                            
7  4 'Structure model' '_chem_comp_bond.atom_id_1'                          
8  4 'Structure model' '_chem_comp_bond.atom_id_2'                          
9  4 'Structure model' '_pdbx_validate_rmsd_angle.angle_deviation'          
10 4 'Structure model' '_pdbx_validate_rmsd_angle.angle_standard_deviation' 
11 4 'Structure model' '_pdbx_validate_rmsd_angle.angle_target_value'       
12 4 'Structure model' '_pdbx_validate_rmsd_angle.angle_value'              
13 4 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_1'           
14 4 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_2'           
15 4 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_3'           
16 4 'Structure model' '_pdbx_validate_rmsd_angle.auth_comp_id_2'           
17 4 'Structure model' '_pdbx_validate_rmsd_angle.auth_seq_id_2'            
18 4 'Structure model' '_pdbx_validate_symm_contact.auth_atom_id_1'         
19 4 'Structure model' '_pdbx_validate_symm_contact.auth_atom_id_2'         
20 4 'Structure model' '_struct_conn.ptnr1_label_atom_id'                   
21 5 'Structure model' '_citation.country'                                  
22 5 'Structure model' '_citation.journal_abbrev'                           
23 5 'Structure model' '_citation.journal_id_ASTM'                          
24 5 'Structure model' '_citation.journal_id_CSD'                           
25 5 'Structure model' '_citation.journal_id_ISSN'                          
26 5 'Structure model' '_citation.page_first'                               
27 5 'Structure model' '_citation.page_last'                                
28 5 'Structure model' '_citation.pdbx_database_id_DOI'                     
29 5 'Structure model' '_citation.pdbx_database_id_PubMed'                  
30 5 'Structure model' '_citation.title'                                    
31 5 'Structure model' '_citation.year'                                     
32 5 'Structure model' '_pdbx_entry_details.has_protein_modification'       
33 6 'Structure model' '_citation.journal_volume'                           
34 6 'Structure model' '_citation.year'                                     
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8CMN 
_pdbx_database_status.recvd_initial_deposition_date   2023-02-20 
_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 0000-0002-6180-5975 
'Wu, J.'        3 ?                   
'Huc, I.'       4 0000-0001-7036-9696 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202422958 
_citation.page_last                 e202422958 
_citation.title                     'DNA Mimic Foldamer Recognition of a Chromosomal Protein.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202422958 
_citation.pdbx_database_id_PubMed   39714421 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
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 
# 
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 7d'                                                                                    7626.914 
1 ? ? ? ? 
2 polymer syn 'N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide' 2536.719 
2 ? ? ? ? 
3 water   nat water                                                                                                       18.015   
7 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '7 kDa DNA-binding protein d,Sac7d' 
# 
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  MVKVKFKYKGEEKEVDTSKIKKVWRVGKMVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK 
MVKVKFKYKGEEKEVDTSKIKKVWRVGKMVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK AA  ? 
2 'polypeptide(L)' no yes '(GOA)(V4F)(V53)(V4F)(V53)(V5F)(V4F)(V53)(V4F)(V53)'               XXXXXXXXXX B,C ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
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 VAL n 
1 27 GLY n 
1 28 LYS n 
1 29 MET 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  GOA 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 
# 
_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 DSM 639' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     330779 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              'plys S' 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       10 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
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 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                   ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                                                           ? 'C2 H5 N O2'      75.067  
GOA non-polymer         . 'GLYCOLIC ACID'                                                   
'HYDROXYACETIC ACID; HYDROXYETHANOIC ACID' 'C2 H4 O3'        76.051  
HOH non-polymer         . WATER                                                             ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                        ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                                                           ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                                                            ? 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                                                        ? 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                                     ? 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                                           ? 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                                            ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                                                         ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                        ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                                          ? 'C9 H11 N O3'     181.189 
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 VAL 26 26 26 VAL VAL 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 MET 29 29 29 MET MET 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  GOA 1  1  1  GOA 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 2 1  GOA 1  1  1  GOA XUW C  . n 
C 2 2  V4F 2  2  1  V4F XUW C  . n 
C 2 3  V53 3  3  1  V53 XUW C  . n 
C 2 4  V4F 4  4  1  V4F XUW C  . n 
C 2 5  V53 5  5  1  V53 XUW C  . n 
C 2 6  V5F 6  6  1  V5F XUW C  . n 
C 2 7  V4F 7  7  1  V4F XUW C  . n 
C 2 8  V53 8  8  1  V53 XUW C  . n 
C 2 9  V4F 9  9  1  V4F XUW C  . n 
C 2 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 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
3 V5F ? ? V5F ? ? 'SUBJECT OF INVESTIGATION' ? 
4 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
5 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
6 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
7 V53 ? ? V53 ? ? 'SUBJECT OF INVESTIGATION' ? 
8 V4F ? ? V4F ? ? 'SUBJECT OF INVESTIGATION' ? 
9 GOA ? ? GOA ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 3 HOH 1 101 2  HOH HOH AA . 
D 3 HOH 2 102 3  HOH HOH AA . 
D 3 HOH 3 103 1  HOH HOH AA . 
D 3 HOH 4 104 8  HOH HOH AA . 
E 3 HOH 1 101 7  HOH HOH C  . 
E 3 HOH 2 102 9  HOH HOH C  . 
E 3 HOH 3 103 10 HOH HOH C  . 
# 
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 9  ? CG  ? A LYS 9  CG  
2  1 Y 1 AA LYS 9  ? CD  ? A LYS 9  CD  
3  1 Y 1 AA LYS 9  ? CE  ? A LYS 9  CE  
4  1 Y 1 AA LYS 9  ? NZ  ? A LYS 9  NZ  
5  1 Y 1 AA LYS 39 ? CG  ? A LYS 39 CG  
6  1 Y 1 AA LYS 39 ? CD  ? A LYS 39 CD  
7  1 Y 1 AA LYS 39 ? CE  ? A LYS 39 CE  
8  1 Y 1 AA LYS 39 ? NZ  ? A LYS 39 NZ  
9  1 Y 1 AA THR 40 ? OG1 ? A THR 40 OG1 
10 1 Y 1 AA THR 40 ? CG2 ? A THR 40 CG2 
# 
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 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           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                     8CMN 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     71.410 
_cell.length_a_esd                 ? 
_cell.length_b                     71.410 
_cell.length_b_esd                 ? 
_cell.length_c                     116.170 
_cell.length_c_esd                 ? 
_cell.volume                       513029.912 
_cell.volume_esd                   ? 
_cell.Z_PDB                        24 
_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                         8CMN 
_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                   8CMN 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.88 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          79.17 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.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                     77.36 
_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 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-11-24 
_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   0.8856 
_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 ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          74.99 
_reflns.entry_id                                       8CMN 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.65 
_reflns.d_resolution_low                               42.34 
_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                                     5508 
_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                           99.62 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.81 
_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                                   0.998 
_reflns.pdbx_CC_star                                   1 
_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                                    2.65 
_reflns_shell.d_res_low                                     2.75 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             531 
_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                                  0.81 
_reflns_shell.pdbx_CC_star                                  0.946 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_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                               66.50 
_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                                 8CMN 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.65 
_refine.ls_d_res_low                             42.34 
_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                     5502 
_refine.ls_number_reflns_R_free                  547 
_refine.ls_number_reflns_R_work                  4955 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.66 
_refine.ls_percent_reflns_R_free                 9.94 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2651 
_refine.ls_R_factor_R_free                       0.2974 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2614 
_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                          1.39 
_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                 32.1161 
_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                            0.4450 
_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                       2.65 
_refine_hist.d_res_low                        42.34 
_refine_hist.number_atoms_solvent             7 
_refine_hist.number_atoms_total               848 
_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        495 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         346 
_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' ? 0.0078  ? 877  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 2.6861  ? 1230 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.2531  ? 89   ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0132  ? 122  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.0023 ? 182  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_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 
'X-RAY DIFFRACTION' 2.65 2.92  . . 130 1194 99.77 . . . . 0.3585 . . . . . . . . . . . 0.4309 
'X-RAY DIFFRACTION' 2.92 3.34  . . 134 1205 99.78 . . . . 0.2904 . . . . . . . . . . . 0.3432 
'X-RAY DIFFRACTION' 3.34 4.20  . . 136 1226 99.56 . . . . 0.2420 . . . . . . . . . . . 0.2912 
'X-RAY DIFFRACTION' 4.21 42.34 . . 147 1330 99.53 . . . . 0.2531 . . . . . . . . . . . 0.2723 
# 
_struct.entry_id                     8CMN 
_struct.title                        '18mer DNA mimic Foldamer with an aliphatic linker in complex with Sac7d wild 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        8CMN 
_struct_keywords.text            'Foldamer, DNA mimic, DNA binding protein, histone' 
_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 2 ? 
D N N 3 ? 
E 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 8CMN       8CMN   ? 2 ?                                                                  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 8CMN AA 1 ? 66 ? P13123 1 ? 66 ? 1 66 
2 2 8CMN B  1 ? 10 ? 8CMN   1 ? 10 ? 1 10 
3 2 8CMN C  1 ? 10 ? 8CMN   1 ? 10 ? 1 10 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_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 GOA 1 C ? ? ? 1_555 B V4F 2  N ? ? B GOA 1 B V4F 2  1_555 ? ? ? ? ? ? ? 1.344 ? ? 
covale2  covale both ? B V4F 2 C ? ? ? 1_555 B V53 3  N ? ? B V4F 2 B V53 3  1_555 ? ? ? ? ? ? ? 1.352 ? ? 
covale3  covale both ? B V53 3 C ? ? ? 1_555 B V4F 4  N ? ? B V53 3 B V4F 4  1_555 ? ? ? ? ? ? ? 1.351 ? ? 
covale4  covale both ? B V4F 4 C ? ? ? 1_555 B V53 5  N ? ? B V4F 4 B V53 5  1_555 ? ? ? ? ? ? ? 1.353 ? ? 
covale5  covale both ? B V53 5 C ? ? ? 1_555 B V5F 6  N ? ? B V53 5 B V5F 6  1_555 ? ? ? ? ? ? ? 1.359 ? ? 
covale6  covale both ? B V5F 6 C ? ? ? 1_555 B V4F 7  N ? ? B V5F 6 B V4F 7  1_555 ? ? ? ? ? ? ? 1.343 ? ? 
covale7  covale both ? B V4F 7 C ? ? ? 1_555 B V53 8  N ? ? B V4F 7 B V53 8  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale8  covale both ? B V53 8 C ? ? ? 1_555 B V4F 9  N ? ? B V53 8 B V4F 9  1_555 ? ? ? ? ? ? ? 1.353 ? ? 
covale9  covale both ? B V4F 9 C ? ? ? 1_555 B V53 10 N ? ? B V4F 9 B V53 10 1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale10 covale both ? C GOA 1 C ? ? ? 1_555 C V4F 2  N ? ? C GOA 1 C V4F 2  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale11 covale both ? C V4F 2 C ? ? ? 1_555 C V53 3  N ? ? C V4F 2 C V53 3  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale12 covale both ? C V53 3 C ? ? ? 1_555 C V4F 4  N ? ? C V53 3 C V4F 4  1_555 ? ? ? ? ? ? ? 1.351 ? ? 
covale13 covale both ? C V4F 4 C ? ? ? 1_555 C V53 5  N ? ? C V4F 4 C V53 5  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale14 covale both ? C V53 5 C ? ? ? 1_555 C V5F 6  N ? ? C V53 5 C V5F 6  1_555 ? ? ? ? ? ? ? 1.359 ? ? 
covale15 covale both ? C V5F 6 C ? ? ? 1_555 C V4F 7  N ? ? C V5F 6 C V4F 7  1_555 ? ? ? ? ? ? ? 1.346 ? ? 
covale16 covale both ? C V4F 7 C ? ? ? 1_555 C V53 8  N ? ? C V4F 7 C V53 8  1_555 ? ? ? ? ? ? ? 1.351 ? ? 
covale17 covale both ? C V53 8 C ? ? ? 1_555 C V4F 9  N ? ? C V53 8 C V4F 9  1_555 ? ? ? ? ? ? ? 1.348 ? ? 
covale18 covale both ? C V4F 9 C ? ? ? 1_555 C V53 10 N ? ? C V4F 9 C V53 10 1_555 ? ? ? ? ? ? ? 1.358 ? ? 
# 
_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  GOA B 1  ? . . . . GOA B 1  ? 1_555 . . . . . . . GLY 1 GOA None 'Non-standard residue' 
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 GOA C 1  ? . . . . GOA C 1  ? 1_555 . . . . . . . GLY 1 GOA 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 V4F 2 B . ? V4F 2 B V53 3  B ? V53 3  B 1 -27.27 
2 V53 3 B . ? V53 3 B V4F 4  B ? V4F 4  B 1 -26.39 
3 V53 5 B . ? V53 5 B V5F 6  B ? V5F 6  B 1 -23.15 
4 V53 8 B . ? V53 8 B V4F 9  B ? V4F 9  B 1 -21.04 
5 V4F 9 B . ? V4F 9 B V53 10 B ? V53 10 B 1 -29.78 
6 V53 3 C . ? V53 3 C V4F 4  C ? V4F 4  C 1 -29.58 
7 V53 5 C . ? V53 5 C V5F 6  C ? V5F 6  C 1 -17.24 
8 V5F 6 C . ? V5F 6 C V4F 7  C ? V4F 7  C 1 -22.71 
9 V4F 7 C . ? V4F 7 C V53 8  C ? V53 8  C 1 -29.73 
# 
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 ? VAL A 26 ? ILE AA 20 VAL AA 26 
AA2 2 MET A 29 ? ASP A 36 ? MET 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 VAL A 4  ? N VAL AA 4  O VAL A 15 ? O VAL AA 15 
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                   8CMN 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OH 
_pdbx_validate_close_contact.auth_asym_id_1   AA 
_pdbx_validate_close_contact.auth_comp_id_1   TYR 
_pdbx_validate_close_contact.auth_seq_id_1    8 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O1 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   V4F 
_pdbx_validate_close_contact.auth_seq_id_2    4 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.15 
# 
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 CA B GOA 1 ? ? 1_555 O2 B GOA 1 ? ? 7_555 1.43 
2 1 CA C GOA 1 ? ? 1_555 O2 C GOA 1 ? ? 4_545 1.43 
3 1 CA B GOA 1 ? ? 1_555 CA B GOA 1 ? ? 7_555 2.12 
# 
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  ? ? 66.23 117.20 -50.97 2.20 Y 
2  1 CA B V53 3 ? ? C B V53 3 ? ? N B V4F 4  ? ? 81.58 117.20 -35.62 2.20 Y 
3  1 CA B V4F 4 ? ? C B V4F 4 ? ? N B V53 5  ? ? 67.67 117.20 -49.53 2.20 Y 
4  1 CA B V53 5 ? ? C B V53 5 ? ? N B V5F 6  ? ? 82.41 117.20 -34.79 2.20 Y 
5  1 CA B V5F 6 ? ? C B V5F 6 ? ? N B V4F 7  ? ? 84.25 117.20 -32.95 2.20 Y 
6  1 CA B V4F 7 ? ? C B V4F 7 ? ? N B V53 8  ? ? 65.30 117.20 -51.90 2.20 Y 
7  1 CA B V53 8 ? ? C B V53 8 ? ? N B V4F 9  ? ? 83.81 117.20 -33.39 2.20 Y 
8  1 CA B V4F 9 ? ? C B V4F 9 ? ? N B V53 10 ? ? 67.79 117.20 -49.41 2.20 Y 
9  1 CA C V4F 2 ? ? C C V4F 2 ? ? N C V53 3  ? ? 61.34 117.20 -55.86 2.20 Y 
10 1 CA C V53 3 ? ? C C V53 3 ? ? N C V4F 4  ? ? 79.93 117.20 -37.27 2.20 Y 
11 1 CA C V4F 4 ? ? C C V4F 4 ? ? N C V53 5  ? ? 66.26 117.20 -50.94 2.20 Y 
12 1 CA C V53 5 ? ? C C V53 5 ? ? N C V5F 6  ? ? 79.83 117.20 -37.37 2.20 Y 
13 1 CA C V5F 6 ? ? C C V5F 6 ? ? N C V4F 7  ? ? 79.42 117.20 -37.78 2.20 Y 
14 1 CA C V4F 7 ? ? C C V4F 7 ? ? N C V53 8  ? ? 64.66 117.20 -52.54 2.20 Y 
15 1 CA C V53 8 ? ? C C V53 8 ? ? N C V4F 9  ? ? 85.04 117.20 -32.16 2.20 Y 
16 1 CA C V4F 9 ? ? C C V4F 9 ? ? N C V53 10 ? ? 70.16 117.20 -47.04 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 ? ? -105.65 -63.25  
2 1 ASN AA 37 ? ? 51.56   -129.56 
# 
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 GOA 1 ? B GOA 1 
2 1 C GOA 1 ? C GOA 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 -5.42331665203 -20.1404329241 2.28437364025  0.558643811693 ? 0.0126414678229   ? -0.0496381315361 
? 0.569484637222 ? -0.174090723789  ? 0.342914358816 ? -0.0424056302552 ? -0.205987222238 ? 0.246529559024   ? -0.110422082288 ? 
0.046955026081   ? 0.0587720375018 ? 0.956909912816  ? 1.198182249      ? -0.780640486158 ? 0.00144018454652 ? 0.799982618686  ? 
1.85670808126    ? 1.16654715617   ? 1.3308704038    ? -5.17438182501e-06 ? 
2 'X-RAY DIFFRACTION' ? refined -8.94627918238 -20.3802320884 0.465146021811 0.645831996952 ? -0.00346075580414 ? -0.0230473577762 
? 0.683393722336 ? -0.111342488999  ? 0.689142976971 ? 0.304552087288   ? 0.0912578012191 ? -0.0896027132925 ? 0.0146525221496 ? 
-0.0846476474632 ? 0.0153391545654 ? 0.383909535635  ? 0.620420165336   ? -0.459753728102 ? -1.17707534916   ? -0.123527279258 ? 
0.03278884252    ? 0.88496394343   ? -0.807948074851 ? -3.224496567e-07   ? 
3 'X-RAY DIFFRACTION' ? refined -10.7589106924 -13.8384902811 9.21116909842  0.401299772836 ? 0.0512460556373   ? 0.0443284876365  
? 0.378192899319 ? -0.0227804885295 ? 0.422222899283 ? 0.362026555296   ? 0.101960621882  ? -0.314024087506  ? 0.445873493271  ? 
-0.352701709434  ? 0.540773137119  ? -0.353126908008 ? -0.409249929859  ? -0.716930647327 ? -0.131628720753  ? 0.615533016753  ? 
-0.0647135103956 ? -0.844503067902 ? -0.455080116657 ? 2.0743353958e-07   ? 
4 'X-RAY DIFFRACTION' ? refined -8.59808970831 -10.1193517052 5.63823093927  0.465131630203 ? 0.0545017828137   ? 0.116603879896   
? 0.319093185022 ? 0.0591101074302  ? 0.410890728621 ? 0.0280411737748  ? 0.10249316997   ? -0.892764044435  ? 0.207926172989  ? 
0.172008570018   ? 1.14826197421   ? 0.611042794006  ? -0.0176205372805 ? 0.186565522787  ? -0.1223919247    ? -0.249880303362 ? 
0.206892617699   ? -0.124351439913 ? 0.12114665945   ? -2.83697467139e-07 ? 
# 
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 B 1  AA 1  ? B 10 AA 10 ? ? 
;chain 'A' and (resid 1 through 10 )
;
2 'X-RAY DIFFRACTION' 2 B 11 AA 11 ? B 19 AA 19 ? ? 
;chain 'A' and (resid 11 through 19 )
;
3 'X-RAY DIFFRACTION' 3 B 20 AA 20 ? B 36 AA 36 ? ? 
;chain 'A' and (resid 20 through 36 )
;
4 'X-RAY DIFFRACTION' 4 B 37 AA 37 ? B 63 AA 63 ? ? 
;chain 'A' and (resid 37 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  
GLU N    N N N 74  
GLU CA   C N S 75  
GLU C    C N N 76  
GLU O    O N N 77  
GLU CB   C N N 78  
GLU CG   C N N 79  
GLU CD   C N N 80  
GLU OE1  O N N 81  
GLU OE2  O N N 82  
GLU OXT  O N N 83  
GLU H    H N N 84  
GLU H2   H N N 85  
GLU HA   H N N 86  
GLU HB2  H N N 87  
GLU HB3  H N N 88  
GLU HG2  H N N 89  
GLU HG3  H N N 90  
GLU HE2  H N N 91  
GLU HXT  H N N 92  
GLY N    N N N 93  
GLY CA   C N N 94  
GLY C    C N N 95  
GLY O    O N N 96  
GLY OXT  O N N 97  
GLY H    H N N 98  
GLY H2   H N N 99  
GLY HA2  H N N 100 
GLY HA3  H N N 101 
GLY HXT  H N N 102 
GOA C    C N N 103 
GOA CA   C N N 104 
GOA O    O N N 105 
GOA OXT  O N N 106 
GOA O2   O N N 107 
GOA H22  H N N 108 
GOA H21  H N N 109 
GOA HXT  H N N 110 
GOA H20  H N N 111 
HOH O    O N N 112 
HOH H1   H N N 113 
HOH H2   H N N 114 
ILE N    N N N 115 
ILE CA   C N S 116 
ILE C    C N N 117 
ILE O    O N N 118 
ILE CB   C N S 119 
ILE CG1  C N N 120 
ILE CG2  C N N 121 
ILE CD1  C N N 122 
ILE OXT  O N N 123 
ILE H    H N N 124 
ILE H2   H N N 125 
ILE HA   H N N 126 
ILE HB   H N N 127 
ILE HG12 H N N 128 
ILE HG13 H N N 129 
ILE HG21 H N N 130 
ILE HG22 H N N 131 
ILE HG23 H N N 132 
ILE HD11 H N N 133 
ILE HD12 H N N 134 
ILE HD13 H N N 135 
ILE HXT  H N N 136 
LEU N    N N N 137 
LEU CA   C N S 138 
LEU C    C N N 139 
LEU O    O N N 140 
LEU CB   C N N 141 
LEU CG   C N N 142 
LEU CD1  C N N 143 
LEU CD2  C N N 144 
LEU OXT  O N N 145 
LEU H    H N N 146 
LEU H2   H N N 147 
LEU HA   H N N 148 
LEU HB2  H N N 149 
LEU HB3  H N N 150 
LEU HG   H N N 151 
LEU HD11 H N N 152 
LEU HD12 H N N 153 
LEU HD13 H N N 154 
LEU HD21 H N N 155 
LEU HD22 H N N 156 
LEU HD23 H N N 157 
LEU HXT  H N N 158 
LYS N    N N N 159 
LYS CA   C N S 160 
LYS C    C N N 161 
LYS O    O N N 162 
LYS CB   C N N 163 
LYS CG   C N N 164 
LYS CD   C N N 165 
LYS CE   C N N 166 
LYS NZ   N N N 167 
LYS OXT  O N N 168 
LYS H    H N N 169 
LYS H2   H N N 170 
LYS HA   H N N 171 
LYS HB2  H N N 172 
LYS HB3  H N N 173 
LYS HG2  H N N 174 
LYS HG3  H N N 175 
LYS HD2  H N N 176 
LYS HD3  H N N 177 
LYS HE2  H N N 178 
LYS HE3  H N N 179 
LYS HZ1  H N N 180 
LYS HZ2  H N N 181 
LYS HZ3  H N N 182 
LYS HXT  H N N 183 
MET N    N N N 184 
MET CA   C N S 185 
MET C    C N N 186 
MET O    O N N 187 
MET CB   C N N 188 
MET CG   C N N 189 
MET SD   S N N 190 
MET CE   C N N 191 
MET OXT  O N N 192 
MET H    H N N 193 
MET H2   H N N 194 
MET HA   H N N 195 
MET HB2  H N N 196 
MET HB3  H N N 197 
MET HG2  H N N 198 
MET HG3  H N N 199 
MET HE1  H N N 200 
MET HE2  H N N 201 
MET HE3  H N N 202 
MET HXT  H N N 203 
PHE N    N N N 204 
PHE CA   C N S 205 
PHE C    C N N 206 
PHE O    O N N 207 
PHE CB   C N N 208 
PHE CG   C Y N 209 
PHE CD1  C Y N 210 
PHE CD2  C Y N 211 
PHE CE1  C Y N 212 
PHE CE2  C Y N 213 
PHE CZ   C Y N 214 
PHE OXT  O N N 215 
PHE H    H N N 216 
PHE H2   H N N 217 
PHE HA   H N N 218 
PHE HB2  H N N 219 
PHE HB3  H N N 220 
PHE HD1  H N N 221 
PHE HD2  H N N 222 
PHE HE1  H N N 223 
PHE HE2  H N N 224 
PHE HZ   H N N 225 
PHE HXT  H N N 226 
PRO N    N N N 227 
PRO CA   C N S 228 
PRO C    C N N 229 
PRO O    O N N 230 
PRO CB   C N N 231 
PRO CG   C N N 232 
PRO CD   C N N 233 
PRO OXT  O N N 234 
PRO H    H N N 235 
PRO HA   H N N 236 
PRO HB2  H N N 237 
PRO HB3  H N N 238 
PRO HG2  H N N 239 
PRO HG3  H N N 240 
PRO HD2  H N N 241 
PRO HD3  H N N 242 
PRO HXT  H N N 243 
SER N    N N N 244 
SER CA   C N S 245 
SER C    C N N 246 
SER O    O N N 247 
SER CB   C N N 248 
SER OG   O N N 249 
SER OXT  O N N 250 
SER H    H N N 251 
SER H2   H N N 252 
SER HA   H N N 253 
SER HB2  H N N 254 
SER HB3  H N N 255 
SER HG   H N N 256 
SER HXT  H N N 257 
THR N    N N N 258 
THR CA   C N S 259 
THR C    C N N 260 
THR O    O N N 261 
THR CB   C N R 262 
THR OG1  O N N 263 
THR CG2  C N N 264 
THR OXT  O N N 265 
THR H    H N N 266 
THR H2   H N N 267 
THR HA   H N N 268 
THR HB   H N N 269 
THR HG1  H N N 270 
THR HG21 H N N 271 
THR HG22 H N N 272 
THR HG23 H N N 273 
THR HXT  H N N 274 
TRP N    N N N 275 
TRP CA   C N S 276 
TRP C    C N N 277 
TRP O    O N N 278 
TRP CB   C N N 279 
TRP CG   C Y N 280 
TRP CD1  C Y N 281 
TRP CD2  C Y N 282 
TRP NE1  N Y N 283 
TRP CE2  C Y N 284 
TRP CE3  C Y N 285 
TRP CZ2  C Y N 286 
TRP CZ3  C Y N 287 
TRP CH2  C Y N 288 
TRP OXT  O N N 289 
TRP H    H N N 290 
TRP H2   H N N 291 
TRP HA   H N N 292 
TRP HB2  H N N 293 
TRP HB3  H N N 294 
TRP HD1  H N N 295 
TRP HE1  H N N 296 
TRP HE3  H N N 297 
TRP HZ2  H N N 298 
TRP HZ3  H N N 299 
TRP HH2  H N N 300 
TRP HXT  H N N 301 
TYR N    N N N 302 
TYR CA   C N S 303 
TYR C    C N N 304 
TYR O    O N N 305 
TYR CB   C N N 306 
TYR CG   C Y N 307 
TYR CD1  C Y N 308 
TYR CD2  C Y N 309 
TYR CE1  C Y N 310 
TYR CE2  C Y N 311 
TYR CZ   C Y N 312 
TYR OH   O N N 313 
TYR OXT  O N N 314 
TYR H    H N N 315 
TYR H2   H N N 316 
TYR HA   H N N 317 
TYR HB2  H N N 318 
TYR HB3  H N N 319 
TYR HD1  H N N 320 
TYR HD2  H N N 321 
TYR HE1  H N N 322 
TYR HE2  H N N 323 
TYR HH   H N N 324 
TYR HXT  H N N 325 
V4F C    C N N 326 
V4F CAF  C Y N 327 
V4F CAD  C Y N 328 
V4F CAE  C Y N 329 
V4F CAL  C Y N 330 
V4F CAM  C Y N 331 
V4F CAJ  C Y N 332 
V4F CAK  C Y N 333 
V4F CAG  C Y N 334 
V4F CAI  C Y N 335 
V4F C01  C N N 336 
V4F CA   C N N 337 
V4F NAH  N Y N 338 
V4F N    N N N 339 
V4F O    O N N 340 
V4F O01  O N N 341 
V4F O3   O N N 342 
V4F O2   O N N 343 
V4F O1   O N N 344 
V4F P    P N N 345 
V4F HAD  H N N 346 
V4F HAK  H N N 347 
V4F HAG  H N N 348 
V4F HAI  H N N 349 
V4F H3   H N N 350 
V4F HA1  H N N 351 
V4F HA2  H N N 352 
V4F H    H N N 353 
V4F H2   H N N 354 
V4F HPO3 H N N 355 
V4F HPO2 H N N 356 
V4F OXT  O N N 357 
V4F H1   H N N 358 
V4F HXT  H N N 359 
V53 C    C N N 360 
V53 CAF  C Y N 361 
V53 CAD  C Y N 362 
V53 CAJ  C Y N 363 
V53 CAL  C Y N 364 
V53 CAM  C Y N 365 
V53 CA   C Y N 366 
V53 CAK  C Y N 367 
V53 CAG  C Y N 368 
V53 CAI  C Y N 369 
V53 C01  C N N 370 
V53 NAH  N Y N 371 
V53 N    N N N 372 
V53 O    O N N 373 
V53 O01  O N N 374 
V53 O1   O N N 375 
V53 O2   O N N 376 
V53 O3   O N N 377 
V53 P    P N N 378 
V53 HAK  H N N 379 
V53 HAG  H N N 380 
V53 HAI  H N N 381 
V53 H    H N N 382 
V53 H2   H N N 383 
V53 OXT  O N N 384 
V53 HXT  H N N 385 
V53 HAD  H N N 386 
V53 HPO2 H N N 387 
V53 HPO3 H N N 388 
V53 H1   H N N 389 
V53 H3   H N N 390 
V5F C    C N N 391 
V5F C6   C N R 392 
V5F C2   C Y N 393 
V5F C1   C Y N 394 
V5F CA   C Y N 395 
V5F C5   C Y N 396 
V5F C4   C Y N 397 
V5F C3   C Y N 398 
V5F CB   C N N 399 
V5F N    N N N 400 
V5F O    O N N 401 
V5F O1   O N N 402 
V5F H6   H N N 403 
V5F H5   H N N 404 
V5F H4   H N N 405 
V5F H1   H N N 406 
V5F H3   H N N 407 
V5F HB1  H N N 408 
V5F HB2  H N N 409 
V5F HB3  H N N 410 
V5F H    H N N 411 
V5F OXT  O N N 412 
V5F HXT  H N N 413 
V5F H2   H N N 414 
VAL N    N N N 415 
VAL CA   C N S 416 
VAL C    C N N 417 
VAL O    O N N 418 
VAL CB   C N N 419 
VAL CG1  C N N 420 
VAL CG2  C N N 421 
VAL OXT  O N N 422 
VAL H    H N N 423 
VAL H2   H N N 424 
VAL HA   H N N 425 
VAL HB   H N N 426 
VAL HG11 H N N 427 
VAL HG12 H N N 428 
VAL HG13 H N N 429 
VAL HG21 H N N 430 
VAL HG22 H N N 431 
VAL HG23 H N N 432 
VAL HXT  H N N 433 
# 
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  
GLU N   CA   sing N N 70  
GLU N   H    sing N N 71  
GLU N   H2   sing N N 72  
GLU CA  C    sing N N 73  
GLU CA  CB   sing N N 74  
GLU CA  HA   sing N N 75  
GLU C   O    doub N N 76  
GLU C   OXT  sing N N 77  
GLU CB  CG   sing N N 78  
GLU CB  HB2  sing N N 79  
GLU CB  HB3  sing N N 80  
GLU CG  CD   sing N N 81  
GLU CG  HG2  sing N N 82  
GLU CG  HG3  sing N N 83  
GLU CD  OE1  doub N N 84  
GLU CD  OE2  sing N N 85  
GLU OE2 HE2  sing N N 86  
GLU OXT HXT  sing N N 87  
GLY N   CA   sing N N 88  
GLY N   H    sing N N 89  
GLY N   H2   sing N N 90  
GLY CA  C    sing N N 91  
GLY CA  HA2  sing N N 92  
GLY CA  HA3  sing N N 93  
GLY C   O    doub N N 94  
GLY C   OXT  sing N N 95  
GLY OXT HXT  sing N N 96  
GOA C   CA   sing N N 97  
GOA C   O    doub N N 98  
GOA C   OXT  sing N N 99  
GOA CA  O2   sing N N 100 
GOA CA  H22  sing N N 101 
GOA CA  H21  sing N N 102 
GOA OXT HXT  sing N N 103 
GOA O2  H20  sing N N 104 
HOH O   H1   sing N N 105 
HOH O   H2   sing N N 106 
ILE N   CA   sing N N 107 
ILE N   H    sing N N 108 
ILE N   H2   sing N N 109 
ILE CA  C    sing N N 110 
ILE CA  CB   sing N N 111 
ILE CA  HA   sing N N 112 
ILE C   O    doub N N 113 
ILE C   OXT  sing N N 114 
ILE CB  CG1  sing N N 115 
ILE CB  CG2  sing N N 116 
ILE CB  HB   sing N N 117 
ILE CG1 CD1  sing N N 118 
ILE CG1 HG12 sing N N 119 
ILE CG1 HG13 sing N N 120 
ILE CG2 HG21 sing N N 121 
ILE CG2 HG22 sing N N 122 
ILE CG2 HG23 sing N N 123 
ILE CD1 HD11 sing N N 124 
ILE CD1 HD12 sing N N 125 
ILE CD1 HD13 sing N N 126 
ILE OXT HXT  sing N N 127 
LEU N   CA   sing N N 128 
LEU N   H    sing N N 129 
LEU N   H2   sing N N 130 
LEU CA  C    sing N N 131 
LEU CA  CB   sing N N 132 
LEU CA  HA   sing N N 133 
LEU C   O    doub N N 134 
LEU C   OXT  sing N N 135 
LEU CB  CG   sing N N 136 
LEU CB  HB2  sing N N 137 
LEU CB  HB3  sing N N 138 
LEU CG  CD1  sing N N 139 
LEU CG  CD2  sing N N 140 
LEU CG  HG   sing N N 141 
LEU CD1 HD11 sing N N 142 
LEU CD1 HD12 sing N N 143 
LEU CD1 HD13 sing N N 144 
LEU CD2 HD21 sing N N 145 
LEU CD2 HD22 sing N N 146 
LEU CD2 HD23 sing N N 147 
LEU OXT HXT  sing N N 148 
LYS N   CA   sing N N 149 
LYS N   H    sing N N 150 
LYS N   H2   sing N N 151 
LYS CA  C    sing N N 152 
LYS CA  CB   sing N N 153 
LYS CA  HA   sing N N 154 
LYS C   O    doub N N 155 
LYS C   OXT  sing N N 156 
LYS CB  CG   sing N N 157 
LYS CB  HB2  sing N N 158 
LYS CB  HB3  sing N N 159 
LYS CG  CD   sing N N 160 
LYS CG  HG2  sing N N 161 
LYS CG  HG3  sing N N 162 
LYS CD  CE   sing N N 163 
LYS CD  HD2  sing N N 164 
LYS CD  HD3  sing N N 165 
LYS CE  NZ   sing N N 166 
LYS CE  HE2  sing N N 167 
LYS CE  HE3  sing N N 168 
LYS NZ  HZ1  sing N N 169 
LYS NZ  HZ2  sing N N 170 
LYS NZ  HZ3  sing N N 171 
LYS OXT HXT  sing N N 172 
MET N   CA   sing N N 173 
MET N   H    sing N N 174 
MET N   H2   sing N N 175 
MET CA  C    sing N N 176 
MET CA  CB   sing N N 177 
MET CA  HA   sing N N 178 
MET C   O    doub N N 179 
MET C   OXT  sing N N 180 
MET CB  CG   sing N N 181 
MET CB  HB2  sing N N 182 
MET CB  HB3  sing N N 183 
MET CG  SD   sing N N 184 
MET CG  HG2  sing N N 185 
MET CG  HG3  sing N N 186 
MET SD  CE   sing N N 187 
MET CE  HE1  sing N N 188 
MET CE  HE2  sing N N 189 
MET CE  HE3  sing N N 190 
MET OXT HXT  sing N N 191 
PHE N   CA   sing N N 192 
PHE N   H    sing N N 193 
PHE N   H2   sing N N 194 
PHE CA  C    sing N N 195 
PHE CA  CB   sing N N 196 
PHE CA  HA   sing N N 197 
PHE C   O    doub N N 198 
PHE C   OXT  sing N N 199 
PHE CB  CG   sing N N 200 
PHE CB  HB2  sing N N 201 
PHE CB  HB3  sing N N 202 
PHE CG  CD1  doub Y N 203 
PHE CG  CD2  sing Y N 204 
PHE CD1 CE1  sing Y N 205 
PHE CD1 HD1  sing N N 206 
PHE CD2 CE2  doub Y N 207 
PHE CD2 HD2  sing N N 208 
PHE CE1 CZ   doub Y N 209 
PHE CE1 HE1  sing N N 210 
PHE CE2 CZ   sing Y N 211 
PHE CE2 HE2  sing N N 212 
PHE CZ  HZ   sing N N 213 
PHE OXT HXT  sing N N 214 
PRO N   CA   sing N N 215 
PRO N   CD   sing N N 216 
PRO N   H    sing N N 217 
PRO CA  C    sing N N 218 
PRO CA  CB   sing N N 219 
PRO CA  HA   sing N N 220 
PRO C   O    doub N N 221 
PRO C   OXT  sing N N 222 
PRO CB  CG   sing N N 223 
PRO CB  HB2  sing N N 224 
PRO CB  HB3  sing N N 225 
PRO CG  CD   sing N N 226 
PRO CG  HG2  sing N N 227 
PRO CG  HG3  sing N N 228 
PRO CD  HD2  sing N N 229 
PRO CD  HD3  sing N N 230 
PRO OXT HXT  sing N N 231 
SER N   CA   sing N N 232 
SER N   H    sing N N 233 
SER N   H2   sing N N 234 
SER CA  C    sing N N 235 
SER CA  CB   sing N N 236 
SER CA  HA   sing N N 237 
SER C   O    doub N N 238 
SER C   OXT  sing N N 239 
SER CB  OG   sing N N 240 
SER CB  HB2  sing N N 241 
SER CB  HB3  sing N N 242 
SER OG  HG   sing N N 243 
SER OXT HXT  sing N N 244 
THR N   CA   sing N N 245 
THR N   H    sing N N 246 
THR N   H2   sing N N 247 
THR CA  C    sing N N 248 
THR CA  CB   sing N N 249 
THR CA  HA   sing N N 250 
THR C   O    doub N N 251 
THR C   OXT  sing N N 252 
THR CB  OG1  sing N N 253 
THR CB  CG2  sing N N 254 
THR CB  HB   sing N N 255 
THR OG1 HG1  sing N N 256 
THR CG2 HG21 sing N N 257 
THR CG2 HG22 sing N N 258 
THR CG2 HG23 sing N N 259 
THR OXT HXT  sing N N 260 
TRP N   CA   sing N N 261 
TRP N   H    sing N N 262 
TRP N   H2   sing N N 263 
TRP CA  C    sing N N 264 
TRP CA  CB   sing N N 265 
TRP CA  HA   sing N N 266 
TRP C   O    doub N N 267 
TRP C   OXT  sing N N 268 
TRP CB  CG   sing N N 269 
TRP CB  HB2  sing N N 270 
TRP CB  HB3  sing N N 271 
TRP CG  CD1  doub Y N 272 
TRP CG  CD2  sing Y N 273 
TRP CD1 NE1  sing Y N 274 
TRP CD1 HD1  sing N N 275 
TRP CD2 CE2  doub Y N 276 
TRP CD2 CE3  sing Y N 277 
TRP NE1 CE2  sing Y N 278 
TRP NE1 HE1  sing N N 279 
TRP CE2 CZ2  sing Y N 280 
TRP CE3 CZ3  doub Y N 281 
TRP CE3 HE3  sing N N 282 
TRP CZ2 CH2  doub Y N 283 
TRP CZ2 HZ2  sing N N 284 
TRP CZ3 CH2  sing Y N 285 
TRP CZ3 HZ3  sing N N 286 
TRP CH2 HH2  sing N N 287 
TRP OXT HXT  sing N N 288 
TYR N   CA   sing N N 289 
TYR N   H    sing N N 290 
TYR N   H2   sing N N 291 
TYR CA  C    sing N N 292 
TYR CA  CB   sing N N 293 
TYR CA  HA   sing N N 294 
TYR C   O    doub N N 295 
TYR C   OXT  sing N N 296 
TYR CB  CG   sing N N 297 
TYR CB  HB2  sing N N 298 
TYR CB  HB3  sing N N 299 
TYR CG  CD1  doub Y N 300 
TYR CG  CD2  sing Y N 301 
TYR CD1 CE1  sing Y N 302 
TYR CD1 HD1  sing N N 303 
TYR CD2 CE2  doub Y N 304 
TYR CD2 HD2  sing N N 305 
TYR CE1 CZ   doub Y N 306 
TYR CE1 HE1  sing N N 307 
TYR CE2 CZ   sing Y N 308 
TYR CE2 HE2  sing N N 309 
TYR CZ  OH   sing N N 310 
TYR OH  HH   sing N N 311 
TYR OXT HXT  sing N N 312 
V4F CAK CAG  doub Y N 313 
V4F CAK CAJ  sing Y N 314 
V4F CA  CAJ  sing N N 315 
V4F CA  N    sing N N 316 
V4F CAG CAI  sing Y N 317 
V4F CAJ CAM  doub Y N 318 
V4F CAI CAL  doub Y N 319 
V4F CAM CAL  sing Y N 320 
V4F CAM NAH  sing Y N 321 
V4F CAL CAF  sing Y N 322 
V4F NAH CAE  doub Y N 323 
V4F CAF O01  sing N N 324 
V4F CAF CAD  doub Y N 325 
V4F O1  P    doub N N 326 
V4F O01 C01  sing N N 327 
V4F CAE CAD  sing Y N 328 
V4F CAE C    sing N N 329 
V4F C   O    doub N N 330 
V4F P   C01  sing N N 331 
V4F P   O3   sing N N 332 
V4F P   O2   sing N N 333 
V4F CAD HAD  sing N N 334 
V4F CAK HAK  sing N N 335 
V4F CAG HAG  sing N N 336 
V4F CAI HAI  sing N N 337 
V4F C01 H3   sing N N 338 
V4F CA  HA1  sing N N 339 
V4F CA  HA2  sing N N 340 
V4F N   H    sing N N 341 
V4F N   H2   sing N N 342 
V4F O3  HPO3 sing N N 343 
V4F O2  HPO2 sing N N 344 
V4F C   OXT  sing N N 345 
V4F C01 H1   sing N N 346 
V4F OXT HXT  sing N N 347 
V53 O   C    doub N N 348 
V53 C   CAJ  sing N N 349 
V53 CAJ CAD  doub Y N 350 
V53 CAJ NAH  sing Y N 351 
V53 O1  P    doub N N 352 
V53 CAD CAF  sing Y N 353 
V53 C01 P    sing N N 354 
V53 C01 O01  sing N N 355 
V53 NAH CAM  doub Y N 356 
V53 P   O3   sing N N 357 
V53 P   O2   sing N N 358 
V53 CAF O01  sing N N 359 
V53 CAF CAL  doub Y N 360 
V53 CAM CAL  sing Y N 361 
V53 CAM CA   sing Y N 362 
V53 CAL CAI  sing Y N 363 
V53 N   CA   sing N N 364 
V53 CA  CAK  doub Y N 365 
V53 CAI CAG  doub Y N 366 
V53 CAK CAG  sing Y N 367 
V53 CAK HAK  sing N N 368 
V53 CAG HAG  sing N N 369 
V53 CAI HAI  sing N N 370 
V53 N   H    sing N N 371 
V53 C   OXT  sing N N 372 
V53 OXT HXT  sing N N 373 
V53 H2  N    sing N N 374 
V53 CAD HAD  sing N N 375 
V53 O2  HPO2 sing N N 376 
V53 O3  HPO3 sing N N 377 
V53 C01 H1   sing N N 378 
V53 C01 H3   sing N N 379 
V5F C3  C2   doub Y N 380 
V5F C3  C4   sing Y N 381 
V5F C2  C1   sing Y N 382 
V5F C4  C5   doub Y N 383 
V5F CB  C6   sing N N 384 
V5F C6  O1   sing N N 385 
V5F C6  C    sing N N 386 
V5F C1  CA   doub Y N 387 
V5F C1  O1   sing N N 388 
V5F C5  CA   sing Y N 389 
V5F O   C    doub N N 390 
V5F CA  N    sing N N 391 
V5F C6  H6   sing N N 392 
V5F C2  H5   sing N N 393 
V5F C5  H4   sing N N 394 
V5F C4  H1   sing N N 395 
V5F C3  H3   sing N N 396 
V5F CB  HB1  sing N N 397 
V5F CB  HB2  sing N N 398 
V5F CB  HB3  sing N N 399 
V5F N   H    sing N N 400 
V5F C   OXT  sing N N 401 
V5F OXT HXT  sing N N 402 
V5F N   H2   sing N N 403 
VAL N   CA   sing N N 404 
VAL N   H    sing N N 405 
VAL N   H2   sing N N 406 
VAL CA  C    sing N N 407 
VAL CA  CB   sing N N 408 
VAL CA  HA   sing N N 409 
VAL C   O    doub N N 410 
VAL C   OXT  sing N N 411 
VAL CB  CG1  sing N N 412 
VAL CB  CG2  sing N N 413 
VAL CB  HB   sing N N 414 
VAL CG1 HG11 sing N N 415 
VAL CG1 HG12 sing N N 416 
VAL CG1 HG13 sing N N 417 
VAL CG2 HG21 sing N N 418 
VAL CG2 HG22 sing N N 419 
VAL CG2 HG23 sing N N 420 
VAL OXT HXT  sing N N 421 
# 
_pdbx_audit_support.funding_organization   'European Research Council (ERC)' 
_pdbx_audit_support.country                'European Union' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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   1azq 
_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                    8CMN 
_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.fract_transf_matrix[1][1]   0.014004 
_atom_sites.fract_transf_matrix[1][2]   0.008085 
_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]   0.016170 
_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]   0.008608 
_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   ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-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.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 0.0 
;2-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  ? -11.47351 -11.82926 -6.70215 1.000 72.69376  ?  1   MET AA N   1 
ATOM   2   C CA  . MET A 1 1  ? -10.59506 -12.74153 -7.42636 1.000 81.86715  ?  1   MET AA CA  1 
ATOM   3   C C   . MET A 1 1  ? -9.18504  -12.69133 -6.83219 1.000 84.56577  ?  1   MET AA C   1 
ATOM   4   O O   . MET A 1 1  ? -8.17662  -12.83226 -7.52007 1.000 84.94128  ?  1   MET AA O   1 
ATOM   5   C CB  . MET A 1 1  ? -10.60966 -12.40726 -8.93207 1.000 102.29737 ?  1   MET AA CB  1 
ATOM   6   C CG  . MET A 1 1  ? -9.67224  -13.20562 -9.87293 1.000 107.70138 ?  1   MET AA CG  1 
ATOM   7   S SD  . MET A 1 1  ? -9.25964  -14.91310 -9.41977 1.000 134.27061 ?  1   MET AA SD  1 
ATOM   8   C CE  . MET A 1 1  ? -10.86260 -15.61980 -9.04723 1.000 100.87443 ?  1   MET AA CE  1 
ATOM   9   N N   . VAL A 1 2  ? -9.10333  -12.49651 -5.52586 1.000 84.54771  ?  2   VAL AA N   1 
ATOM   10  C CA  . VAL A 1 2  ? -7.82852  -12.54681 -4.82873 1.000 68.04553  ?  2   VAL AA CA  1 
ATOM   11  C C   . VAL A 1 2  ? -7.83529  -13.77536 -3.94025 1.000 73.74901  ?  2   VAL AA C   1 
ATOM   12  O O   . VAL A 1 2  ? -8.82180  -14.05029 -3.24791 1.000 69.60627  ?  2   VAL AA O   1 
ATOM   13  C CB  . VAL A 1 2  ? -7.55859  -11.26507 -4.02670 1.000 68.61051  ?  2   VAL AA CB  1 
ATOM   14  C CG1 . VAL A 1 2  ? -6.30929  -11.43173 -3.17876 1.000 62.26713  ?  2   VAL AA CG1 1 
ATOM   15  C CG2 . VAL A 1 2  ? -7.39066  -10.10043 -4.98315 1.000 74.57411  ?  2   VAL AA CG2 1 
ATOM   16  N N   . LYS A 1 3  ? -6.74409  -14.51965 -3.97945 1.000 65.28518  ?  3   LYS AA N   1 
ATOM   17  C CA  . LYS A 1 3  ? -6.64281  -15.79984 -3.31060 1.000 64.25368  ?  3   LYS AA CA  1 
ATOM   18  C C   . LYS A 1 3  ? -5.79861  -15.64748 -2.05519 1.000 54.67790  ?  3   LYS AA C   1 
ATOM   19  O O   . LYS A 1 3  ? -4.70860  -15.07010 -2.10032 1.000 64.66658  ?  3   LYS AA O   1 
ATOM   20  C CB  . LYS A 1 3  ? -6.03928  -16.82514 -4.26335 1.000 65.79886  ?  3   LYS AA CB  1 
ATOM   21  C CG  . LYS A 1 3  ? -5.47370  -18.02149 -3.59333 1.000 76.12281  ?  3   LYS AA CG  1 
ATOM   22  C CD  . LYS A 1 3  ? -4.70078  -18.86163 -4.58398 1.000 72.91688  ?  3   LYS AA CD  1 
ATOM   23  C CE  . LYS A 1 3  ? -5.52105  -19.19097 -5.81492 1.000 70.10628  ?  3   LYS AA CE  1 
ATOM   24  N NZ  . LYS A 1 3  ? -5.30202  -20.61046 -6.20866 1.000 101.25311 ?  3   LYS AA NZ  1 
ATOM   25  N N   . VAL A 1 4  ? -6.32021  -16.13928 -0.93605 1.000 57.67240  ?  4   VAL AA N   1 
ATOM   26  C CA  . VAL A 1 4  ? -5.63065  -16.15742 0.34292  1.000 50.61903  ?  4   VAL AA CA  1 
ATOM   27  C C   . VAL A 1 4  ? -5.24501  -17.60117 0.61398  1.000 57.01174  ?  4   VAL AA C   1 
ATOM   28  O O   . VAL A 1 4  ? -6.11527  -18.47707 0.70812  1.000 67.54325  ?  4   VAL AA O   1 
ATOM   29  C CB  . VAL A 1 4  ? -6.51588  -15.60241 1.46859  1.000 61.19152  ?  4   VAL AA CB  1 
ATOM   30  C CG1 . VAL A 1 4  ? -5.76522  -15.59416 2.77967  1.000 48.90457  ?  4   VAL AA CG1 1 
ATOM   31  C CG2 . VAL A 1 4  ? -7.00768  -14.20782 1.12123  1.000 60.55076  ?  4   VAL AA CG2 1 
ATOM   32  N N   . LYS A 1 5  ? -3.94720  -17.85300 0.71300  1.000 54.26810  ?  5   LYS AA N   1 
ATOM   33  C CA  . LYS A 1 5  ? -3.42700  -19.17850 1.00665  1.000 52.69915  ?  5   LYS AA CA  1 
ATOM   34  C C   . LYS A 1 5  ? -3.08127  -19.23133 2.48398  1.000 51.20139  ?  5   LYS AA C   1 
ATOM   35  O O   . LYS A 1 5  ? -2.24834  -18.45137 2.96034  1.000 60.00723  ?  5   LYS AA O   1 
ATOM   36  C CB  . LYS A 1 5  ? -2.20111  -19.48738 0.15344  1.000 58.01644  ?  5   LYS AA CB  1 
ATOM   37  C CG  . LYS A 1 5  ? -2.27749  -18.93185 -1.24788 1.000 58.09511  ?  5   LYS AA CG  1 
ATOM   38  C CD  . LYS A 1 5  ? -1.24684  -19.60075 -2.12078 1.000 64.95722  ?  5   LYS AA CD  1 
ATOM   39  C CE  . LYS A 1 5  ? -1.45474  -19.24598 -3.57534 1.000 76.05554  ?  5   LYS AA CE  1 
ATOM   40  N NZ  . LYS A 1 5  ? -0.57869  -20.04205 -4.47348 1.000 79.01273  ?  5   LYS AA NZ  1 
ATOM   41  N N   . PHE A 1 6  ? -3.71895  -20.14165 3.20814  1.000 45.39941  ?  6   PHE AA N   1 
ATOM   42  C CA  . PHE A 1 6  ? -3.55710  -20.18721 4.65231  1.000 54.67743  ?  6   PHE AA CA  1 
ATOM   43  C C   . PHE A 1 6  ? -3.40261  -21.62734 5.10512  1.000 52.17671  ?  6   PHE AA C   1 
ATOM   44  O O   . PHE A 1 6  ? -3.85278  -22.56061 4.44345  1.000 60.90365  ?  6   PHE AA O   1 
ATOM   45  C CB  . PHE A 1 6  ? -4.74290  -19.53634 5.37157  1.000 39.57095  ?  6   PHE AA CB  1 
ATOM   46  C CG  . PHE A 1 6  ? -6.04515  -20.22770 5.12143  1.000 53.77933  ?  6   PHE AA CG  1 
ATOM   47  C CD1 . PHE A 1 6  ? -6.73429  -20.02595 3.93674  1.000 50.68041  ?  6   PHE AA CD1 1 
ATOM   48  C CD2 . PHE A 1 6  ? -6.57599  -21.09050 6.06486  1.000 55.02026  ?  6   PHE AA CD2 1 
ATOM   49  C CE1 . PHE A 1 6  ? -7.93057  -20.66530 3.70178  1.000 60.61043  ?  6   PHE AA CE1 1 
ATOM   50  C CE2 . PHE A 1 6  ? -7.77245  -21.73266 5.83773  1.000 49.20332  ?  6   PHE AA CE2 1 
ATOM   51  C CZ  . PHE A 1 6  ? -8.45417  -21.51909 4.65422  1.000 56.68384  ?  6   PHE AA CZ  1 
ATOM   52  N N   . LYS A 1 7  ? -2.77628  -21.79997 6.25781  1.000 55.07582  ?  7   LYS AA N   1 
ATOM   53  C CA  . LYS A 1 7  ? -2.57604  -23.11986 6.83470  1.000 60.28240  ?  7   LYS AA CA  1 
ATOM   54  C C   . LYS A 1 7  ? -3.55496  -23.30137 7.98665  1.000 58.81205  ?  7   LYS AA C   1 
ATOM   55  O O   . LYS A 1 7  ? -3.57710  -22.49152 8.91954  1.000 47.87071  ?  7   LYS AA O   1 
ATOM   56  C CB  . LYS A 1 7  ? -1.14087  -23.28757 7.32044  1.000 55.78345  ?  7   LYS AA CB  1 
ATOM   57  C CG  . LYS A 1 7  ? -0.59961  -24.67962 7.12310  1.000 61.64116  ?  7   LYS AA CG  1 
ATOM   58  C CD  . LYS A 1 7  ? 0.76967   -24.81136 7.74323  1.000 73.39013  ?  7   LYS AA CD  1 
ATOM   59  C CE  . LYS A 1 7  ? 1.23084   -26.25243 7.73209  1.000 81.25179  ?  7   LYS AA CE  1 
ATOM   60  N NZ  . LYS A 1 7  ? 2.70827   -26.37753 7.74466  1.000 78.23940  ?  7   LYS AA NZ  1 
ATOM   61  N N   . TYR A 1 8  ? -4.35676  -24.35536 7.92456  1.000 50.77829  ?  8   TYR AA N   1 
ATOM   62  C CA  . TYR A 1 8  ? -5.31300  -24.64754 8.97665  1.000 58.03998  ?  8   TYR AA CA  1 
ATOM   63  C C   . TYR A 1 8  ? -4.98010  -26.00089 9.59340  1.000 67.80596  ?  8   TYR AA C   1 
ATOM   64  O O   . TYR A 1 8  ? -5.11037  -27.03998 8.93911  1.000 63.50839  ?  8   TYR AA O   1 
ATOM   65  C CB  . TYR A 1 8  ? -6.73866  -24.63082 8.45066  1.000 61.64890  ?  8   TYR AA CB  1 
ATOM   66  C CG  . TYR A 1 8  ? -7.71263  -25.13082 9.47461  1.000 60.03789  ?  8   TYR AA CG  1 
ATOM   67  C CD1 . TYR A 1 8  ? -8.17372  -24.29696 10.47875 1.000 54.83675  ?  8   TYR AA CD1 1 
ATOM   68  C CD2 . TYR A 1 8  ? -8.15236  -26.44488 9.45562  1.000 69.00170  ?  8   TYR AA CD2 1 
ATOM   69  C CE1 . TYR A 1 8  ? -9.05198  -24.75354 11.42978 1.000 61.50591  ?  8   TYR AA CE1 1 
ATOM   70  C CE2 . TYR A 1 8  ? -9.02781  -26.91333 10.39932 1.000 66.31530  ?  8   TYR AA CE2 1 
ATOM   71  C CZ  . TYR A 1 8  ? -9.47789  -26.06586 11.38509 1.000 77.99744  ?  8   TYR AA CZ  1 
ATOM   72  O OH  . TYR A 1 8  ? -10.35720 -26.53983 12.32780 1.000 77.79673  ?  8   TYR AA OH  1 
ATOM   73  N N   . LYS A 1 9  ? -4.55508  -25.97670 10.85376 1.000 61.66405  ?  9   LYS AA N   1 
ATOM   74  C CA  . LYS A 1 9  ? -4.21087  -27.19118 11.58938 1.000 66.47226  ?  9   LYS AA CA  1 
ATOM   75  C C   . LYS A 1 9  ? -3.17073  -28.01019 10.83324 1.000 72.81230  ?  9   LYS AA C   1 
ATOM   76  O O   . LYS A 1 9  ? -3.19231  -29.24321 10.83277 1.000 76.49193  ?  9   LYS AA O   1 
ATOM   77  C CB  . LYS A 1 9  ? -5.45607  -28.02718 11.89566 1.000 70.19033  ?  9   LYS AA CB  1 
ATOM   78  N N   . GLY A 1 10 ? -2.26464  -27.31208 10.15754 1.000 67.03116  ?  10  GLY AA N   1 
ATOM   79  C CA  . GLY A 1 10 ? -1.21111  -27.96966 9.42595  1.000 72.08819  ?  10  GLY AA CA  1 
ATOM   80  C C   . GLY A 1 10 ? -1.56251  -28.41587 8.02531  1.000 63.75211  ?  10  GLY AA C   1 
ATOM   81  O O   . GLY A 1 10 ? -0.74739  -29.09211 7.38638  1.000 79.19771  ?  10  GLY AA O   1 
ATOM   82  N N   . GLU A 1 11 ? -2.74287  -28.07204 7.52356  1.000 68.58710  ?  11  GLU AA N   1 
ATOM   83  C CA  . GLU A 1 11 ? -3.13225  -28.41424 6.16415  1.000 60.32855  ?  11  GLU AA CA  1 
ATOM   84  C C   . GLU A 1 11 ? -3.19951  -27.14576 5.32778  1.000 63.55222  ?  11  GLU AA C   1 
ATOM   85  O O   . GLU A 1 11 ? -3.86448  -26.17853 5.71272  1.000 61.43006  ?  11  GLU AA O   1 
ATOM   86  C CB  . GLU A 1 11 ? -4.47675  -29.13912 6.13711  1.000 62.65678  ?  11  GLU AA CB  1 
ATOM   87  C CG  . GLU A 1 11 ? -5.08093  -29.24112 4.74544  1.000 78.56168  ?  11  GLU AA CG  1 
ATOM   88  C CD  . GLU A 1 11 ? -6.51821  -29.71468 4.76888  1.000 81.95983  ?  11  GLU AA CD  1 
ATOM   89  O OE1 . GLU A 1 11 ? -7.03487  -29.99489 5.87236  1.000 95.39083  ?  11  GLU AA OE1 1 
ATOM   90  O OE2 . GLU A 1 11 ? -7.13212  -29.80621 3.68488  1.000 94.55865  ?  11  GLU AA OE2 1 
ATOM   91  N N   . GLU A 1 12 ? -2.50035  -27.14724 4.19684  1.000 69.54375  ?  12  GLU AA N   1 
ATOM   92  C CA  . GLU A 1 12 ? -2.54949  -26.00243 3.30325  1.000 67.24445  ?  12  GLU AA CA  1 
ATOM   93  C C   . GLU A 1 12 ? -3.93053  -25.89466 2.67355  1.000 70.30568  ?  12  GLU AA C   1 
ATOM   94  O O   . GLU A 1 12 ? -4.50148  -26.88932 2.21699  1.000 73.63236  ?  12  GLU AA O   1 
ATOM   95  C CB  . GLU A 1 12 ? -1.47292  -26.10850 2.22286  1.000 64.64284  ?  12  GLU AA CB  1 
ATOM   96  C CG  . GLU A 1 12 ? -0.07680  -25.69369 2.68958  1.000 69.32324  ?  12  GLU AA CG  1 
ATOM   97  C CD  . GLU A 1 12 ? -0.01267  -24.25827 3.21063  1.000 86.05323  ?  12  GLU AA CD  1 
ATOM   98  O OE1 . GLU A 1 12 ? -0.94440  -23.46566 2.93943  1.000 74.29270  ?  12  GLU AA OE1 1 
ATOM   99  O OE2 . GLU A 1 12 ? 0.98090   -23.91951 3.89118  1.000 74.54460  ?  12  GLU AA OE2 1 
ATOM   100 N N   . LYS A 1 13 ? -4.47023  -24.68077 2.66368  1.000 60.39634  ?  13  LYS AA N   1 
ATOM   101 C CA  . LYS A 1 13 ? -5.79584  -24.39914 2.15198  1.000 64.81125  ?  13  LYS AA CA  1 
ATOM   102 C C   . LYS A 1 13 ? -5.74115  -23.07815 1.41211  1.000 64.28780  ?  13  LYS AA C   1 
ATOM   103 O O   . LYS A 1 13 ? -4.78555  -22.30522 1.53287  1.000 58.99033  ?  13  LYS AA O   1 
ATOM   104 C CB  . LYS A 1 13 ? -6.84133  -24.30715 3.26776  1.000 62.94089  ?  13  LYS AA CB  1 
ATOM   105 C CG  . LYS A 1 13 ? -6.96785  -25.53428 4.12993  1.000 60.87763  ?  13  LYS AA CG  1 
ATOM   106 C CD  . LYS A 1 13 ? -8.40756  -25.71224 4.55834  1.000 60.16250  ?  13  LYS AA CD  1 
ATOM   107 C CE  . LYS A 1 13 ? -8.60931  -27.02988 5.26782  1.000 64.64564  ?  13  LYS AA CE  1 
ATOM   108 N NZ  . LYS A 1 13 ? -9.57819  -26.89117 6.38402  1.000 73.90943  ?  13  LYS AA NZ  1 
ATOM   109 N N   . GLU A 1 14 ? -6.80868  -22.80101 0.68091  1.000 64.67593  ?  14  GLU AA N   1 
ATOM   110 C CA  . GLU A 1 14 ? -6.86336  -21.58904 -0.11141 1.000 65.00408  ?  14  GLU AA CA  1 
ATOM   111 C C   . GLU A 1 14 ? -8.31314  -21.16112 -0.25271 1.000 65.85383  ?  14  GLU AA C   1 
ATOM   112 O O   . GLU A 1 14 ? -9.18387  -21.99470 -0.51452 1.000 72.00579  ?  14  GLU AA O   1 
ATOM   113 C CB  . GLU A 1 14 ? -6.22170  -21.82460 -1.47764 1.000 65.88585  ?  14  GLU AA CB  1 
ATOM   114 C CG  . GLU A 1 14 ? -6.68768  -20.86794 -2.51911 1.000 70.82352  ?  14  GLU AA CG  1 
ATOM   115 C CD  . GLU A 1 14 ? -7.68448  -21.47078 -3.47519 1.000 95.70237  ?  14  GLU AA CD  1 
ATOM   116 O OE1 . GLU A 1 14 ? -7.49986  -22.64251 -3.86909 1.000 91.45472  ?  14  GLU AA OE1 1 
ATOM   117 O OE2 . GLU A 1 14 ? -8.65068  -20.76535 -3.83682 1.000 92.69884  ?  14  GLU AA OE2 1 
ATOM   118 N N   . VAL A 1 15 ? -8.56981  -19.86957 -0.06442 1.000 64.87498  ?  15  VAL AA N   1 
ATOM   119 C CA  . VAL A 1 15 ? -9.91213  -19.32162 -0.22506 1.000 66.36540  ?  15  VAL AA CA  1 
ATOM   120 C C   . VAL A 1 15 ? -9.81435  -17.96925 -0.91968 1.000 63.82073  ?  15  VAL AA C   1 
ATOM   121 O O   . VAL A 1 15 ? -8.94307  -17.15401 -0.60602 1.000 62.72730  ?  15  VAL AA O   1 
ATOM   122 C CB  . VAL A 1 15 ? -10.65346 -19.22196 1.12767  1.000 62.71282  ?  15  VAL AA CB  1 
ATOM   123 C CG1 . VAL A 1 15 ? -10.02508 -18.17877 2.03987  1.000 56.16956  ?  15  VAL AA CG1 1 
ATOM   124 C CG2 . VAL A 1 15 ? -12.12379 -18.93056 0.90193  1.000 63.64762  ?  15  VAL AA CG2 1 
ATOM   125 N N   . ASP A 1 16 ? -10.69790 -17.74908 -1.88516 1.000 70.90016  ?  16  ASP AA N   1 
ATOM   126 C CA  . ASP A 1 16 ? -10.74456 -16.48793 -2.60584 1.000 66.13710  ?  16  ASP AA CA  1 
ATOM   127 C C   . ASP A 1 16 ? -11.27667 -15.37855 -1.70399 1.000 57.79967  ?  16  ASP AA C   1 
ATOM   128 O O   . ASP A 1 16 ? -12.00186 -15.62481 -0.73863 1.000 58.42550  ?  16  ASP AA O   1 
ATOM   129 C CB  . ASP A 1 16 ? -11.61935 -16.63031 -3.85107 1.000 76.30404  ?  16  ASP AA CB  1 
ATOM   130 C CG  . ASP A 1 16 ? -11.52098 -15.43643 -4.78070 1.000 82.78110  ?  16  ASP AA CG  1 
ATOM   131 O OD1 . ASP A 1 16 ? -10.78789 -15.52362 -5.78909 1.000 76.08008  ?  16  ASP AA OD1 1 
ATOM   132 O OD2 . ASP A 1 16 ? -12.18220 -14.41254 -4.50524 1.000 88.04266  ?  16  ASP AA OD2 1 
ATOM   133 N N   . THR A 1 17 ? -10.89839 -14.14068 -2.02420 1.000 74.17315  ?  17  THR AA N   1 
ATOM   134 C CA  . THR A 1 17 ? -11.34576 -12.99442 -1.23944 1.000 59.98978  ?  17  THR AA CA  1 
ATOM   135 C C   . THR A 1 17 ? -12.86929 -12.88488 -1.22198 1.000 68.44938  ?  17  THR AA C   1 
ATOM   136 O O   . THR A 1 17 ? -13.46672 -12.53411 -0.19576 1.000 61.32545  ?  17  THR AA O   1 
ATOM   137 C CB  . THR A 1 17 ? -10.72570 -11.71842 -1.80175 1.000 65.90765  ?  17  THR AA CB  1 
ATOM   138 O OG1 . THR A 1 17 ? -9.38997  -11.57044 -1.30222 1.000 54.16300  ?  17  THR AA OG1 1 
ATOM   139 C CG2 . THR A 1 17 ? -11.56809 -10.51404 -1.42179 1.000 76.89503  ?  17  THR AA CG2 1 
ATOM   140 N N   . SER A 1 18 ? -13.51425 -13.19655 -2.34932 1.000 63.15681  ?  18  SER AA N   1 
ATOM   141 C CA  . SER A 1 18 ? -14.96367 -13.04935 -2.45221 1.000 63.51675  ?  18  SER AA CA  1 
ATOM   142 C C   . SER A 1 18 ? -15.70265 -13.98682 -1.50679 1.000 57.40639  ?  18  SER AA C   1 
ATOM   143 O O   . SER A 1 18 ? -16.82716 -13.68808 -1.09311 1.000 74.30840  ?  18  SER AA O   1 
ATOM   144 C CB  . SER A 1 18 ? -15.40712 -13.30162 -3.89093 1.000 61.08033  ?  18  SER AA CB  1 
ATOM   145 O OG  . SER A 1 18 ? -15.15521 -14.64650 -4.25698 1.000 70.74721  ?  18  SER AA OG  1 
ATOM   146 N N   . LYS A 1 19 ? -15.10021 -15.12469 -1.16256 1.000 63.40811  ?  19  LYS AA N   1 
ATOM   147 C CA  . LYS A 1 19 ? -15.75916 -16.07307 -0.27393 1.000 63.39040  ?  19  LYS AA CA  1 
ATOM   148 C C   . LYS A 1 19 ? -15.68090 -15.65626 1.19043  1.000 54.32451  ?  19  LYS AA C   1 
ATOM   149 O O   . LYS A 1 19 ? -16.47003 -16.14927 2.00416  1.000 53.43003  ?  19  LYS AA O   1 
ATOM   150 C CB  . LYS A 1 19 ? -15.15226 -17.46905 -0.45383 1.000 71.35148  ?  19  LYS AA CB  1 
ATOM   151 C CG  . LYS A 1 19 ? -14.89132 -17.85692 -1.90848 1.000 87.40045  ?  19  LYS AA CG  1 
ATOM   152 C CD  . LYS A 1 19 ? -14.57140 -19.34492 -2.05705 1.000 104.33562 ?  19  LYS AA CD  1 
ATOM   153 C CE  . LYS A 1 19 ? -13.14809 -19.57625 -2.55834 1.000 86.94706  ?  19  LYS AA CE  1 
ATOM   154 N NZ  . LYS A 1 19 ? -13.08201 -19.98365 -3.99048 1.000 88.53691  ?  19  LYS AA NZ  1 
ATOM   155 N N   . ILE A 1 20 ? -14.76690 -14.74758 1.53496  1.000 61.53243  ?  20  ILE AA N   1 
ATOM   156 C CA  . ILE A 1 20 ? -14.53812 -14.38134 2.92785  1.000 63.25177  ?  20  ILE AA CA  1 
ATOM   157 C C   . ILE A 1 20 ? -15.69264 -13.53332 3.44451  1.000 62.32503  ?  20  ILE AA C   1 
ATOM   158 O O   . ILE A 1 20 ? -16.18119 -12.62907 2.75505  1.000 74.74195  ?  20  ILE AA O   1 
ATOM   159 C CB  . ILE A 1 20 ? -13.19838 -13.63702 3.06006  1.000 63.71771  ?  20  ILE AA CB  1 
ATOM   160 C CG1 . ILE A 1 20 ? -12.04922 -14.53168 2.59261  1.000 65.89758  ?  20  ILE AA CG1 1 
ATOM   161 C CG2 . ILE A 1 20 ? -12.97410 -13.16576 4.49128  1.000 54.48926  ?  20  ILE AA CG2 1 
ATOM   162 C CD1 . ILE A 1 20 ? -10.71094 -13.84193 2.58210  1.000 65.95111  ?  20  ILE AA CD1 1 
ATOM   163 N N   . LYS A 1 21 ? -16.13061 -13.81789 4.67123  1.000 65.35495  ?  21  LYS AA N   1 
ATOM   164 C CA  . LYS A 1 21 ? -17.20284 -13.06613 5.31815  1.000 70.10679  ?  21  LYS AA CA  1 
ATOM   165 C C   . LYS A 1 21 ? -16.68872 -12.14342 6.39784  1.000 66.69120  ?  21  LYS AA C   1 
ATOM   166 O O   . LYS A 1 21 ? -16.83013 -10.91797 6.29723  1.000 82.12445  ?  21  LYS AA O   1 
ATOM   167 C CB  . LYS A 1 21 ? -18.24278 -14.03233 5.90053  1.000 66.70696  ?  21  LYS AA CB  1 
ATOM   168 C CG  . LYS A 1 21 ? -18.36863 -15.34115 5.15498  1.000 75.61040  ?  21  LYS AA CG  1 
ATOM   169 C CD  . LYS A 1 21 ? -19.67398 -16.02792 5.50131  1.000 87.59730  ?  21  LYS AA CD  1 
ATOM   170 C CE  . LYS A 1 21 ? -19.65039 -16.55966 6.92515  1.000 89.39737  ?  21  LYS AA CE  1 
ATOM   171 N NZ  . LYS A 1 21 ? -20.24068 -17.92398 6.99665  1.000 72.38391  ?  21  LYS AA NZ  1 
ATOM   172 N N   . LYS A 1 22 ? -16.09084 -12.68396 7.45809  1.000 64.07932  ?  22  LYS AA N   1 
ATOM   173 C CA  . LYS A 1 22 ? -15.63392 -11.90457 8.59425  1.000 62.66779  ?  22  LYS AA CA  1 
ATOM   174 C C   . LYS A 1 22 ? -14.11634 -11.85761 8.61970  1.000 56.96828  ?  22  LYS AA C   1 
ATOM   175 O O   . LYS A 1 22 ? -13.45350 -12.87301 8.40470  1.000 54.68183  ?  22  LYS AA O   1 
ATOM   176 C CB  . LYS A 1 22 ? -16.14467 -12.49718 9.90472  1.000 69.33825  ?  22  LYS AA CB  1 
ATOM   177 C CG  . LYS A 1 22 ? -17.54200 -13.05031 9.80980  1.000 68.14823  ?  22  LYS AA CG  1 
ATOM   178 C CD  . LYS A 1 22 ? -18.53954 -11.92451 9.70012  1.000 76.70563  ?  22  LYS AA CD  1 
ATOM   179 C CE  . LYS A 1 22 ? -19.56863 -12.01046 10.80739 1.000 82.06625  ?  22  LYS AA CE  1 
ATOM   180 N NZ  . LYS A 1 22 ? -20.26959 -10.71263 11.00195 1.000 70.56423  ?  22  LYS AA NZ  1 
ATOM   181 N N   . VAL A 1 23 ? -13.57306 -10.67828 8.88922  1.000 59.46657  ?  23  VAL AA N   1 
ATOM   182 C CA  . VAL A 1 23 ? -12.13549 -10.48643 8.99800  1.000 55.26389  ?  23  VAL AA CA  1 
ATOM   183 C C   . VAL A 1 23 ? -11.85987 -9.70608  10.27611 1.000 53.11785  ?  23  VAL AA C   1 
ATOM   184 O O   . VAL A 1 23 ? -12.54401 -8.71875  10.57153 1.000 70.38633  ?  23  VAL AA O   1 
ATOM   185 C CB  . VAL A 1 23 ? -11.56381 -9.77927  7.75102  1.000 55.82805  ?  23  VAL AA CB  1 
ATOM   186 C CG1 . VAL A 1 23 ? -12.02177 -8.33776  7.66308  1.000 73.49306  ?  23  VAL AA CG1 1 
ATOM   187 C CG2 . VAL A 1 23 ? -10.06833 -9.85603  7.73888  1.000 62.02352  ?  23  VAL AA CG2 1 
ATOM   188 N N   . TRP A 1 24 ? -10.89853 -10.18290 11.05944 1.000 52.81824  ?  24  TRP AA N   1 
ATOM   189 C CA  . TRP A 1 24 ? -10.52635 -9.60843  12.33892 1.000 60.74186  ?  24  TRP AA CA  1 
ATOM   190 C C   . TRP A 1 24 ? -9.01384  -9.49550  12.39949 1.000 54.88831  ?  24  TRP AA C   1 
ATOM   191 O O   . TRP A 1 24 ? -8.29062  -10.27326 11.76967 1.000 46.86835  ?  24  TRP AA O   1 
ATOM   192 C CB  . TRP A 1 24 ? -10.99164 -10.46462 13.52676 1.000 47.09318  ?  24  TRP AA CB  1 
ATOM   193 C CG  . TRP A 1 24 ? -12.45904 -10.64469 13.64354 1.000 58.85103  ?  24  TRP AA CG  1 
ATOM   194 C CD1 . TRP A 1 24 ? -13.36587 -9.72616  14.07842 1.000 64.39632  ?  24  TRP AA CD1 1 
ATOM   195 C CD2 . TRP A 1 24 ? -13.19834 -11.83330 13.34891 1.000 71.60794  ?  24  TRP AA CD2 1 
ATOM   196 N NE1 . TRP A 1 24 ? -14.63017 -10.26474 14.06561 1.000 65.65664  ?  24  TRP AA NE1 1 
ATOM   197 C CE2 . TRP A 1 24 ? -14.55401 -11.55934 13.62129 1.000 68.94876  ?  24  TRP AA CE2 1 
ATOM   198 C CE3 . TRP A 1 24 ? -12.84687 -13.10246 12.87793 1.000 62.04658  ?  24  TRP AA CE3 1 
ATOM   199 C CZ2 . TRP A 1 24 ? -15.55728 -12.50467 13.43885 1.000 68.27800  ?  24  TRP AA CZ2 1 
ATOM   200 C CZ3 . TRP A 1 24 ? -13.84269 -14.03979 12.69764 1.000 63.23828  ?  24  TRP AA CZ3 1 
ATOM   201 C CH2 . TRP A 1 24 ? -15.18359 -13.73696 12.97680 1.000 72.79652  ?  24  TRP AA CH2 1 
ATOM   202 N N   . ARG A 1 25 ? -8.54671  -8.53882  13.18759 1.000 58.23709  ?  25  ARG AA N   1 
ATOM   203 C CA  . ARG A 1 25 ? -7.12902  -8.34953  13.45058 1.000 46.25443  ?  25  ARG AA CA  1 
ATOM   204 C C   . ARG A 1 25 ? -6.84128  -8.83427  14.86401 1.000 52.43877  ?  25  ARG AA C   1 
ATOM   205 O O   . ARG A 1 25 ? -7.40012  -8.30553  15.83027 1.000 65.40181  ?  25  ARG AA O   1 
ATOM   206 C CB  . ARG A 1 25 ? -6.74316  -6.88193  13.28089 1.000 54.68139  ?  25  ARG AA CB  1 
ATOM   207 C CG  . ARG A 1 25 ? -5.29068  -6.58130  13.55918 1.000 61.52832  ?  25  ARG AA CG  1 
ATOM   208 C CD  . ARG A 1 25 ? -4.94483  -5.17370  13.10609 1.000 63.79183  ?  25  ARG AA CD  1 
ATOM   209 N NE  . ARG A 1 25 ? -4.14554  -5.17913  11.88656 1.000 88.88345  ?  25  ARG AA NE  1 
ATOM   210 C CZ  . ARG A 1 25 ? -4.40713  -4.45078  10.80920 1.000 83.93832  ?  25  ARG AA CZ  1 
ATOM   211 N NH1 . ARG A 1 25 ? -5.44944  -3.63612  10.76077 1.000 64.87744  ?  25  ARG AA NH1 1 
ATOM   212 N NH2 . ARG A 1 25 ? -3.60380  -4.53994  9.75400  1.000 91.93064  ?  25  ARG AA NH2 1 
ATOM   213 N N   . VAL A 1 26 ? -5.99142  -9.85091  14.98020 1.000 60.96330  ?  26  VAL AA N   1 
ATOM   214 C CA  . VAL A 1 26 ? -5.62257  -10.45410 16.25654 1.000 57.17963  ?  26  VAL AA CA  1 
ATOM   215 C C   . VAL A 1 26 ? -4.10188  -10.40499 16.33636 1.000 51.48317  ?  26  VAL AA C   1 
ATOM   216 O O   . VAL A 1 26 ? -3.41650  -11.26832 15.77647 1.000 49.50960  ?  26  VAL AA O   1 
ATOM   217 C CB  . VAL A 1 26 ? -6.13516  -11.89156 16.39447 1.000 57.95082  ?  26  VAL AA CB  1 
ATOM   218 C CG1 . VAL A 1 26 ? -5.80777  -12.44395 17.77536 1.000 51.63130  ?  26  VAL AA CG1 1 
ATOM   219 C CG2 . VAL A 1 26 ? -7.62940  -11.95431 16.12246 1.000 55.11305  ?  26  VAL AA CG2 1 
ATOM   220 N N   . GLY A 1 27 ? -3.57189  -9.39931  17.02084 1.000 49.87281  ?  27  GLY AA N   1 
ATOM   221 C CA  . GLY A 1 27 ? -2.12938  -9.27103  17.14584 1.000 49.18275  ?  27  GLY AA CA  1 
ATOM   222 C C   . GLY A 1 27 ? -1.48700  -9.04387  15.79213 1.000 55.79052  ?  27  GLY AA C   1 
ATOM   223 O O   . GLY A 1 27 ? -1.82129  -8.09681  15.06869 1.000 49.93959  ?  27  GLY AA O   1 
ATOM   224 N N   . LYS A 1 28 ? -0.55240  -9.92156  15.43101 1.000 54.96316  ?  28  LYS AA N   1 
ATOM   225 C CA  . LYS A 1 28 ? 0.10831   -9.85046  14.13522 1.000 51.84229  ?  28  LYS AA CA  1 
ATOM   226 C C   . LYS A 1 28 ? -0.68836  -10.52313 13.02663 1.000 55.38695  ?  28  LYS AA C   1 
ATOM   227 O O   . LYS A 1 28 ? -0.22714  -10.54199 11.88002 1.000 56.27708  ?  28  LYS AA O   1 
ATOM   228 C CB  . LYS A 1 28 ? 1.49523   -10.49584 14.21074 1.000 48.08918  ?  28  LYS AA CB  1 
ATOM   229 C CG  . LYS A 1 28 ? 2.47121   -9.78736  15.12736 1.000 51.55145  ?  28  LYS AA CG  1 
ATOM   230 C CD  . LYS A 1 28 ? 3.46963   -10.76730 15.72981 1.000 76.31382  ?  28  LYS AA CD  1 
ATOM   231 C CE  . LYS A 1 28 ? 2.79075   -12.05374 16.19103 1.000 66.40841  ?  28  LYS AA CE  1 
ATOM   232 N NZ  . LYS A 1 28 ? 3.44641   -12.63245 17.39976 1.000 67.75034  ?  28  LYS AA NZ  1 
ATOM   233 N N   . MET A 1 29 ? -1.86345  -11.06209 13.32841 1.000 49.42496  ?  29  MET AA N   1 
ATOM   234 C CA  . MET A 1 29 ? -2.55270  -11.94647 12.41009 1.000 50.56998  ?  29  MET AA CA  1 
ATOM   235 C C   . MET A 1 29 ? -3.89993  -11.38139 11.98766 1.000 48.34841  ?  29  MET AA C   1 
ATOM   236 O O   . MET A 1 29 ? -4.48899  -10.52518 12.64818 1.000 54.00168  ?  29  MET AA O   1 
ATOM   237 C CB  . MET A 1 29 ? -2.74847  -13.33090 13.03387 1.000 43.89373  ?  29  MET AA CB  1 
ATOM   238 C CG  . MET A 1 29 ? -1.47000  -13.92704 13.58209 1.000 52.13250  ?  29  MET AA CG  1 
ATOM   239 S SD  . MET A 1 29 ? -0.63751  -14.84349 12.29465 1.000 58.00373  ?  29  MET AA SD  1 
ATOM   240 C CE  . MET A 1 29 ? 1.02037   -14.99929 12.93343 1.000 49.15408  ?  29  MET AA CE  1 
ATOM   241 N N   . VAL A 1 30 ? -4.37244  -11.89765 10.86555 1.000 44.47485  ?  30  VAL AA N   1 
ATOM   242 C CA  . VAL A 1 30 ? -5.68382  -11.63022 10.30920 1.000 50.53617  ?  30  VAL AA CA  1 
ATOM   243 C C   . VAL A 1 30 ? -6.44094  -12.94962 10.36503 1.000 41.44345  ?  30  VAL AA C   1 
ATOM   244 O O   . VAL A 1 30 ? -6.10164  -13.90367 9.64884  1.000 45.65429  ?  30  VAL AA O   1 
ATOM   245 C CB  . VAL A 1 30 ? -5.58432  -11.10073 8.87341  1.000 53.75566  ?  30  VAL AA CB  1 
ATOM   246 C CG1 . VAL A 1 30 ? -6.94407  -10.86486 8.31055  1.000 49.23117  ?  30  VAL AA CG1 1 
ATOM   247 C CG2 . VAL A 1 30 ? -4.76026  -9.82597  8.82936  1.000 42.98126  ?  30  VAL AA CG2 1 
ATOM   248 N N   . SER A 1 31 ? -7.43634  -13.01594 11.24225 1.000 36.97233  ?  31  SER AA N   1 
ATOM   249 C CA  . SER A 1 31 ? -8.28208  -14.19096 11.39694 1.000 45.39417  ?  31  SER AA CA  1 
ATOM   250 C C   . SER A 1 31 ? -9.58298  -13.94971 10.65113 1.000 51.95637  ?  31  SER AA C   1 
ATOM   251 O O   . SER A 1 31 ? -10.09375 -12.83173 10.63314 1.000 45.18939  ?  31  SER AA O   1 
ATOM   252 C CB  . SER A 1 31 ? -8.56333  -14.47445 12.87497 1.000 48.55170  ?  31  SER AA CB  1 
ATOM   253 O OG  . SER A 1 31 ? -9.40184  -15.60407 13.03177 1.000 58.42596  ?  31  SER AA OG  1 
ATOM   254 N N   . PHE A 1 32 ? -10.12162 -14.98528 10.02031 1.000 47.46945  ?  32  PHE AA N   1 
ATOM   255 C CA  . PHE A 1 32 ? -11.26474 -14.73584 9.16224  1.000 52.57177  ?  32  PHE AA CA  1 
ATOM   256 C C   . PHE A 1 32 ? -12.15174 -15.96445 9.06033  1.000 58.80863  ?  32  PHE AA C   1 
ATOM   257 O O   . PHE A 1 32 ? -11.75415 -17.08916 9.38652  1.000 54.76631  ?  32  PHE AA O   1 
ATOM   258 C CB  . PHE A 1 32 ? -10.82766 -14.29537 7.75718  1.000 50.63023  ?  32  PHE AA CB  1 
ATOM   259 C CG  . PHE A 1 32 ? -9.94881  -15.28520 7.06989  1.000 40.64504  ?  32  PHE AA CG  1 
ATOM   260 C CD1 . PHE A 1 32 ? -10.49190 -16.38264 6.41916  1.000 52.16991  ?  32  PHE AA CD1 1 
ATOM   261 C CD2 . PHE A 1 32 ? -8.57513  -15.13477 7.09234  1.000 43.42084  ?  32  PHE AA CD2 1 
ATOM   262 C CE1 . PHE A 1 32 ? -9.67993  -17.31013 5.80063  1.000 43.93315  ?  32  PHE AA CE1 1 
ATOM   263 C CE2 . PHE A 1 32 ? -7.75482  -16.05380 6.46981  1.000 40.25367  ?  32  PHE AA CE2 1 
ATOM   264 C CZ  . PHE A 1 32 ? -8.30952  -17.14586 5.82485  1.000 47.79650  ?  32  PHE AA CZ  1 
ATOM   265 N N   . THR A 1 33 ? -13.36434 -15.71231 8.57704  1.000 60.61905  ?  33  THR AA N   1 
ATOM   266 C CA  . THR A 1 33 ? -14.32625 -16.73246 8.20762  1.000 52.18684  ?  33  THR AA CA  1 
ATOM   267 C C   . THR A 1 33 ? -14.66145 -16.58802 6.73098  1.000 57.57677  ?  33  THR AA C   1 
ATOM   268 O O   . THR A 1 33 ? -14.60686 -15.49401 6.16300  1.000 56.76009  ?  33  THR AA O   1 
ATOM   269 C CB  . THR A 1 33 ? -15.61176 -16.62087 9.02717  1.000 60.43245  ?  33  THR AA CB  1 
ATOM   270 O OG1 . THR A 1 33 ? -16.51451 -15.72361 8.36972  1.000 70.72379  ?  33  THR AA OG1 1 
ATOM   271 C CG2 . THR A 1 33 ? -15.31428 -16.08740 10.40081 1.000 66.47153  ?  33  THR AA CG2 1 
ATOM   272 N N   . TYR A 1 34 ? -15.01098 -17.70725 6.11841  1.000 64.60118  ?  34  TYR AA N   1 
ATOM   273 C CA  . TYR A 1 34 ? -15.40743 -17.73772 4.72416  1.000 66.57960  ?  34  TYR AA CA  1 
ATOM   274 C C   . TYR A 1 34 ? -16.53598 -18.73987 4.57512  1.000 67.55731  ?  34  TYR AA C   1 
ATOM   275 O O   . TYR A 1 34 ? -16.86745 -19.48762 5.49913  1.000 65.40180  ?  34  TYR AA O   1 
ATOM   276 C CB  . TYR A 1 34 ? -14.23665 -18.10668 3.80630  1.000 60.11424  ?  34  TYR AA CB  1 
ATOM   277 C CG  . TYR A 1 34 ? -13.66582 -19.47087 4.10384  1.000 57.06403  ?  34  TYR AA CG  1 
ATOM   278 C CD1 . TYR A 1 34 ? -12.68278 -19.63552 5.06789  1.000 54.82343  ?  34  TYR AA CD1 1 
ATOM   279 C CD2 . TYR A 1 34 ? -14.11953 -20.59636 3.43092  1.000 59.37501  ?  34  TYR AA CD2 1 
ATOM   280 C CE1 . TYR A 1 34 ? -12.16274 -20.87957 5.34803  1.000 61.43719  ?  34  TYR AA CE1 1 
ATOM   281 C CE2 . TYR A 1 34 ? -13.60533 -21.84527 3.70614  1.000 60.23184  ?  34  TYR AA CE2 1 
ATOM   282 C CZ  . TYR A 1 34 ? -12.62746 -21.98201 4.66505  1.000 67.41313  ?  34  TYR AA CZ  1 
ATOM   283 O OH  . TYR A 1 34 ? -12.10944 -23.22565 4.94646  1.000 69.64934  ?  34  TYR AA OH  1 
ATOM   284 N N   . ASP A 1 35 ? -17.09827 -18.76615 3.38259  1.000 71.35117  ?  35  ASP AA N   1 
ATOM   285 C CA  . ASP A 1 35 ? -18.22684 -19.61702 3.04840  1.000 79.33128  ?  35  ASP AA CA  1 
ATOM   286 C C   . ASP A 1 35 ? -17.70964 -20.70979 2.11555  1.000 88.24437  ?  35  ASP AA C   1 
ATOM   287 O O   . ASP A 1 35 ? -17.60761 -20.50579 0.90541  1.000 89.74159  ?  35  ASP AA O   1 
ATOM   288 C CB  . ASP A 1 35 ? -19.32432 -18.76755 2.41662  1.000 85.92050  ?  35  ASP AA CB  1 
ATOM   289 C CG  . ASP A 1 35 ? -20.63365 -19.48697 2.29229  1.000 95.83157  ?  35  ASP AA CG  1 
ATOM   290 O OD1 . ASP A 1 35 ? -20.84682 -20.11631 1.24537  1.000 95.15622  ?  35  ASP AA OD1 1 
ATOM   291 O OD2 . ASP A 1 35 ? -21.45274 -19.40309 3.23116  1.000 99.03169  ?  35  ASP AA OD2 1 
ATOM   292 N N   . ASP A 1 36 ? -17.35720 -21.87028 2.68228  1.000 88.14601  ?  36  ASP AA N   1 
ATOM   293 C CA  . ASP A 1 36 ? -17.00242 -22.99884 1.81990  1.000 99.90364  ?  36  ASP AA CA  1 
ATOM   294 C C   . ASP A 1 36 ? -18.32453 -23.65841 1.45531  1.000 110.16125 ?  36  ASP AA C   1 
ATOM   295 O O   . ASP A 1 36 ? -18.88605 -24.47246 2.20078  1.000 99.99874  ?  36  ASP AA O   1 
ATOM   296 C CB  . ASP A 1 36 ? -16.00484 -23.96225 2.47083  1.000 95.57857  ?  36  ASP AA CB  1 
ATOM   297 C CG  . ASP A 1 36 ? -16.42316 -24.43097 3.85103  1.000 109.01264 ?  36  ASP AA CG  1 
ATOM   298 O OD1 . ASP A 1 36 ? -17.50645 -24.06585 4.30449  1.000 110.14258 ?  36  ASP AA OD1 1 
ATOM   299 O OD2 . ASP A 1 36 ? -15.66186 -25.17847 4.49707  1.000 101.42158 ?  36  ASP AA OD2 1 
ATOM   300 N N   . ASN A 1 37 ? -18.85869 -23.24154 0.31068  1.000 113.01675 ?  37  ASN AA N   1 
ATOM   301 C CA  . ASN A 1 37 ? -20.15674 -23.70773 -0.16683 1.000 113.68365 ?  37  ASN AA CA  1 
ATOM   302 C C   . ASN A 1 37 ? -21.15952 -23.51646 0.97335  1.000 115.67431 ?  37  ASN AA C   1 
ATOM   303 O O   . ASN A 1 37 ? -21.18653 -22.44302 1.58773  1.000 116.08819 ?  37  ASN AA O   1 
ATOM   304 C CB  . ASN A 1 37 ? -20.00181 -25.12721 -0.67495 1.000 110.99384 ?  37  ASN AA CB  1 
ATOM   305 C CG  . ASN A 1 37 ? -20.62852 -25.32525 -2.02791 1.000 124.69884 ?  37  ASN AA CG  1 
ATOM   306 O OD1 . ASN A 1 37 ? -20.29267 -24.63276 -2.98928 1.000 123.10358 ?  37  ASN AA OD1 1 
ATOM   307 N ND2 . ASN A 1 37 ? -21.55033 -26.27385 -2.11545 1.000 124.30262 ?  37  ASN AA ND2 1 
ATOM   308 N N   . GLY A 1 38 ? -21.94282 -24.52669 1.34059  1.000 117.15032 ?  38  GLY AA N   1 
ATOM   309 C CA  . GLY A 1 38 ? -22.94880 -24.32177 2.36886  1.000 112.97642 ?  38  GLY AA CA  1 
ATOM   310 C C   . GLY A 1 38 ? -22.36897 -24.04815 3.74709  1.000 118.04922 ?  38  GLY AA C   1 
ATOM   311 O O   . GLY A 1 38 ? -22.93564 -23.27354 4.52362  1.000 115.06475 ?  38  GLY AA O   1 
ATOM   312 N N   . LYS A 1 39 ? -21.24330 -24.67405 4.07263  1.000 119.16229 ?  39  LYS AA N   1 
ATOM   313 C CA  . LYS A 1 39 ? -20.75732 -24.53895 5.43672  1.000 112.30959 ?  39  LYS AA CA  1 
ATOM   314 C C   . LYS A 1 39 ? -19.89512 -23.28525 5.56271  1.000 106.18766 ?  39  LYS AA C   1 
ATOM   315 O O   . LYS A 1 39 ? -19.50864 -22.65584 4.57266  1.000 107.64831 ?  39  LYS AA O   1 
ATOM   316 C CB  . LYS A 1 39 ? -19.98417 -25.79064 5.86511  1.000 109.96787 ?  39  LYS AA CB  1 
ATOM   317 N N   . THR A 1 40 ? -19.60816 -22.90804 6.80139  1.000 100.97114 ?  40  THR AA N   1 
ATOM   318 C CA  . THR A 1 40 ? -18.66724 -21.83435 7.07410  1.000 96.78430  ?  40  THR AA CA  1 
ATOM   319 C C   . THR A 1 40 ? -17.34247 -22.43627 7.52288  1.000 103.19860 ?  40  THR AA C   1 
ATOM   320 O O   . THR A 1 40 ? -17.31634 -23.43936 8.24224  1.000 109.56316 ?  40  THR AA O   1 
ATOM   321 C CB  . THR A 1 40 ? -19.20125 -20.87477 8.14095  1.000 91.31378  ?  40  THR AA CB  1 
ATOM   322 N N   . GLY A 1 41 ? -16.24412 -21.83075 7.07165  1.000 82.57019  ?  41  GLY AA N   1 
ATOM   323 C CA  . GLY A 1 41 ? -14.92264 -22.26784 7.45843  1.000 71.28168  ?  41  GLY AA CA  1 
ATOM   324 C C   . GLY A 1 41 ? -14.13232 -21.10913 8.02994  1.000 65.90834  ?  41  GLY AA C   1 
ATOM   325 O O   . GLY A 1 41 ? -14.44849 -19.94335 7.80693  1.000 68.04571  ?  41  GLY AA O   1 
ATOM   326 N N   . ARG A 1 42 ? -13.08654 -21.44876 8.77731  1.000 69.94930  ?  42  ARG AA N   1 
ATOM   327 C CA  . ARG A 1 42 ? -12.28288 -20.45127 9.46590  1.000 55.99031  ?  42  ARG AA CA  1 
ATOM   328 C C   . ARG A 1 42 ? -10.81261 -20.62428 9.10988  1.000 53.42180  ?  42  ARG AA C   1 
ATOM   329 O O   . ARG A 1 42 ? -10.34490 -21.73692 8.85157  1.000 60.99769  ?  42  ARG AA O   1 
ATOM   330 C CB  . ARG A 1 42 ? -12.47736 -20.54202 10.98444 1.000 52.18940  ?  42  ARG AA CB  1 
ATOM   331 C CG  . ARG A 1 42 ? -13.80307 -19.96304 11.46946 1.000 55.84235  ?  42  ARG AA CG  1 
ATOM   332 C CD  . ARG A 1 42 ? -14.10768 -20.42214 12.88741 1.000 64.36785  ?  42  ARG AA CD  1 
ATOM   333 N NE  . ARG A 1 42 ? -14.62850 -19.35751 13.73940 1.000 76.75943  ?  42  ARG AA NE  1 
ATOM   334 C CZ  . ARG A 1 42 ? -13.92962 -18.30748 14.15108 1.000 69.55400  ?  42  ARG AA CZ  1 
ATOM   335 N NH1 . ARG A 1 42 ? -12.67750 -18.11491 13.76723 1.000 77.88787  ?  42  ARG AA NH1 1 
ATOM   336 N NH2 . ARG A 1 42 ? -14.50052 -17.42613 14.96691 1.000 57.24878  ?  42  ARG AA NH2 1 
ATOM   337 N N   . GLY A 1 43 ? -10.08736 -19.50889 9.09629  1.000 55.45781  ?  43  GLY AA N   1 
ATOM   338 C CA  . GLY A 1 43 ? -8.66597  -19.55648 8.80330  1.000 53.28657  ?  43  GLY AA CA  1 
ATOM   339 C C   . GLY A 1 43 ? -7.96847  -18.30859 9.29867  1.000 49.91950  ?  43  GLY AA C   1 
ATOM   340 O O   . GLY A 1 43 ? -8.59426  -17.38989 9.82813  1.000 45.50001  ?  43  GLY AA O   1 
ATOM   341 N N   . ALA A 1 44 ? -6.64691  -18.28231 9.12997  1.000 43.11442  ?  44  ALA AA N   1 
ATOM   342 C CA  . ALA A 1 44 ? -5.88232  -17.11739 9.55355  1.000 43.83104  ?  44  ALA AA CA  1 
ATOM   343 C C   . ALA A 1 44 ? -4.56564  -17.05772 8.79662  1.000 51.21558  ?  44  ALA AA C   1 
ATOM   344 O O   . ALA A 1 44 ? -3.96546  -18.08753 8.47954  1.000 51.50518  ?  44  ALA AA O   1 
ATOM   345 C CB  . ALA A 1 44 ? -5.61579  -17.12856 11.06156 1.000 37.60805  ?  44  ALA AA CB  1 
ATOM   346 N N   . VAL A 1 45 ? -4.12764  -15.82962 8.51376  1.000 47.80231  ?  45  VAL AA N   1 
ATOM   347 C CA  . VAL A 1 45 ? -2.80765  -15.57165 7.94888  1.000 55.44786  ?  45  VAL AA CA  1 
ATOM   348 C C   . VAL A 1 45 ? -2.17030  -14.44181 8.74085  1.000 47.61275  ?  45  VAL AA C   1 
ATOM   349 O O   . VAL A 1 45 ? -2.85614  -13.62344 9.34557  1.000 47.12445  ?  45  VAL AA O   1 
ATOM   350 C CB  . VAL A 1 45 ? -2.85416  -15.19565 6.44866  1.000 48.09904  ?  45  VAL AA CB  1 
ATOM   351 C CG1 . VAL A 1 45 ? -3.75959  -16.13529 5.67677  1.000 47.06438  ?  45  VAL AA CG1 1 
ATOM   352 C CG2 . VAL A 1 45 ? -3.30810  -13.74930 6.27202  1.000 55.93124  ?  45  VAL AA CG2 1 
ATOM   353 N N   . SER A 1 46 ? -0.84467  -14.37542 8.71080  1.000 44.84589  ?  46  SER AA N   1 
ATOM   354 C CA  . SER A 1 46 ? -0.18280  -13.22828 9.31427  1.000 44.59374  ?  46  SER AA CA  1 
ATOM   355 C C   . SER A 1 46 ? -0.38329  -11.99257 8.44587  1.000 43.47374  ?  46  SER AA C   1 
ATOM   356 O O   . SER A 1 46 ? -0.52232  -12.08303 7.22544  1.000 50.31301  ?  46  SER AA O   1 
ATOM   357 C CB  . SER A 1 46 ? 1.30633   -13.50419 9.51705  1.000 52.84842  ?  46  SER AA CB  1 
ATOM   358 O OG  . SER A 1 46 ? 2.04916   -13.16773 8.36012  1.000 56.36833  ?  46  SER AA OG  1 
ATOM   359 N N   . GLU A 1 47 ? -0.42014  -10.82578 9.09450  1.000 52.37199  ?  47  GLU AA N   1 
ATOM   360 C CA  . GLU A 1 47 ? -0.62233  -9.57740  8.36383  1.000 48.85801  ?  47  GLU AA CA  1 
ATOM   361 C C   . GLU A 1 47 ? 0.47289   -9.35119  7.32731  1.000 52.86754  ?  47  GLU AA C   1 
ATOM   362 O O   . GLU A 1 47 ? 0.21753   -8.76095  6.27142  1.000 52.31897  ?  47  GLU AA O   1 
ATOM   363 C CB  . GLU A 1 47 ? -0.68978  -8.40372  9.34734  1.000 56.33925  ?  47  GLU AA CB  1 
ATOM   364 C CG  . GLU A 1 47 ? -0.42764  -7.02746  8.73952  1.000 58.43533  ?  47  GLU AA CG  1 
ATOM   365 C CD  . GLU A 1 47 ? 0.96431   -6.50789  9.05392  1.000 80.98095  ?  47  GLU AA CD  1 
ATOM   366 O OE1 . GLU A 1 47 ? 1.51459   -6.88370  10.11060 1.000 82.74472  ?  47  GLU AA OE1 1 
ATOM   367 O OE2 . GLU A 1 47 ? 1.51069   -5.72711  8.24592  1.000 88.43130  ?  47  GLU AA OE2 1 
ATOM   368 N N   . LYS A 1 48 ? 1.68719   -9.83471  7.59926  1.000 54.91907  ?  48  LYS AA N   1 
ATOM   369 C CA  . LYS A 1 48 ? 2.79901   -9.63285  6.67562  1.000 54.83276  ?  48  LYS AA CA  1 
ATOM   370 C C   . LYS A 1 48 ? 2.58645   -10.37983 5.36510  1.000 52.71872  ?  48  LYS AA C   1 
ATOM   371 O O   . LYS A 1 48 ? 2.89232   -9.85245  4.28996  1.000 60.54081  ?  48  LYS AA O   1 
ATOM   372 C CB  . LYS A 1 48 ? 4.10354   -10.08043 7.32489  1.000 58.92953  ?  48  LYS AA CB  1 
ATOM   373 C CG  . LYS A 1 48 ? 4.63394   -9.14178  8.38538  1.000 65.03725  ?  48  LYS AA CG  1 
ATOM   374 C CD  . LYS A 1 48 ? 5.87572   -9.72318  9.04761  1.000 86.51543  ?  48  LYS AA CD  1 
ATOM   375 C CE  . LYS A 1 48 ? 5.85335   -11.24596 9.03836  1.000 87.67392  ?  48  LYS AA CE  1 
ATOM   376 N NZ  . LYS A 1 48 ? 6.68894   -11.82169 10.12601 1.000 99.86592  ?  48  LYS AA NZ  1 
ATOM   377 N N   . ASP A 1 49 ? 2.08310   -11.61176 5.43439  1.000 50.74221  ?  49  ASP AA N   1 
ATOM   378 C CA  . ASP A 1 49 ? 1.87004   -12.43382 4.25078  1.000 54.13105  ?  49  ASP AA CA  1 
ATOM   379 C C   . ASP A 1 49 ? 0.53665   -12.16577 3.57076  1.000 51.91299  ?  49  ASP AA C   1 
ATOM   380 O O   . ASP A 1 49 ? 0.23015   -12.81681 2.56826  1.000 50.77629  ?  49  ASP AA O   1 
ATOM   381 C CB  . ASP A 1 49 ? 1.95241   -13.91815 4.61421  1.000 48.77577  ?  49  ASP AA CB  1 
ATOM   382 C CG  . ASP A 1 49 ? 3.10012   -14.22697 5.54000  1.000 52.99766  ?  49  ASP AA CG  1 
ATOM   383 O OD1 . ASP A 1 49 ? 4.16611   -13.59147 5.39950  1.000 61.32245  ?  49  ASP AA OD1 1 
ATOM   384 O OD2 . ASP A 1 49 ? 2.93639   -15.11116 6.40738  1.000 59.37093  ?  49  ASP AA OD2 1 
ATOM   385 N N   . ALA A 1 50 ? -0.25477  -11.24488 4.08551  1.000 57.90977  ?  50  ALA AA N   1 
ATOM   386 C CA  . ALA A 1 50 ? -1.60310  -11.06468 3.57377  1.000 47.01543  ?  50  ALA AA CA  1 
ATOM   387 C C   . ALA A 1 50 ? -1.58013  -10.29576 2.25370  1.000 59.48090  ?  50  ALA AA C   1 
ATOM   388 O O   . ALA A 1 50 ? -0.81914  -9.33548  2.10366  1.000 56.68324  ?  50  ALA AA O   1 
ATOM   389 C CB  . ALA A 1 50 ? -2.46414  -10.32227 4.59024  1.000 55.15122  ?  50  ALA AA CB  1 
ATOM   390 N N   . PRO A 1 51 ? -2.39197  -10.70629 1.28222  1.000 58.79161  ?  51  PRO AA N   1 
ATOM   391 C CA  . PRO A 1 51 ? -2.52923  -9.91900  0.05347  1.000 54.78146  ?  51  PRO AA CA  1 
ATOM   392 C C   . PRO A 1 51 ? -3.23890  -8.60180  0.32473  1.000 59.45040  ?  51  PRO AA C   1 
ATOM   393 O O   . PRO A 1 51 ? -3.96323  -8.44512  1.31053  1.000 62.28421  ?  51  PRO AA O   1 
ATOM   394 C CB  . PRO A 1 51 ? -3.36183  -10.82463 -0.86189 1.000 63.53966  ?  51  PRO AA CB  1 
ATOM   395 C CG  . PRO A 1 51 ? -4.06037  -11.77648 0.06573  1.000 52.07801  ?  51  PRO AA CG  1 
ATOM   396 C CD  . PRO A 1 51 ? -3.14957  -11.96679 1.23545  1.000 48.79822  ?  51  PRO AA CD  1 
ATOM   397 N N   . LYS A 1 52 ? -3.01742  -7.64257  -0.57996 1.000 62.90998  ?  52  LYS AA N   1 
ATOM   398 C CA  . LYS A 1 52 ? -3.52473  -6.29006  -0.36669 1.000 65.03486  ?  52  LYS AA CA  1 
ATOM   399 C C   . LYS A 1 52 ? -5.03847  -6.27271  -0.20953 1.000 66.16575  ?  52  LYS AA C   1 
ATOM   400 O O   . LYS A 1 52 ? -5.57664  -5.51416  0.60614  1.000 64.05331  ?  52  LYS AA O   1 
ATOM   401 C CB  . LYS A 1 52 ? -3.10877  -5.37548  -1.51719 1.000 65.62760  ?  52  LYS AA CB  1 
ATOM   402 C CG  . LYS A 1 52 ? -3.59823  -3.94408  -1.34834 1.000 64.03548  ?  52  LYS AA CG  1 
ATOM   403 C CD  . LYS A 1 52 ? -3.20880  -3.06667  -2.52096 1.000 73.48392  ?  52  LYS AA CD  1 
ATOM   404 C CE  . LYS A 1 52 ? -3.46220  -1.59893  -2.20935 1.000 82.84902  ?  52  LYS AA CE  1 
ATOM   405 N NZ  . LYS A 1 52 ? -4.91332  -1.26549  -2.20704 1.000 78.26235  ?  52  LYS AA NZ  1 
ATOM   406 N N   . GLU A 1 53 ? -5.74617  -7.09373  -0.98376 1.000 69.89515  ?  53  GLU AA N   1 
ATOM   407 C CA  . GLU A 1 53 ? -7.20119  -7.07130  -0.92015 1.000 59.00879  ?  53  GLU AA CA  1 
ATOM   408 C C   . GLU A 1 53 ? -7.70424  -7.50483  0.45310  1.000 62.86642  ?  53  GLU AA C   1 
ATOM   409 O O   . GLU A 1 53 ? -8.64538  -6.91102  0.99302  1.000 66.89941  ?  53  GLU AA O   1 
ATOM   410 C CB  . GLU A 1 53 ? -7.77994  -7.95097  -2.02370 1.000 57.95798  ?  53  GLU AA CB  1 
ATOM   411 C CG  . GLU A 1 53 ? -9.23867  -8.23642  -1.85795 1.000 65.66341  ?  53  GLU AA CG  1 
ATOM   412 C CD  . GLU A 1 53 ? -10.14126 -7.07562  -2.23596 1.000 78.01694  ?  53  GLU AA CD  1 
ATOM   413 O OE1 . GLU A 1 53 ? -9.66989  -5.91969  -2.27769 1.000 97.47358  ?  53  GLU AA OE1 1 
ATOM   414 O OE2 . GLU A 1 53 ? -11.33859 -7.32548  -2.48796 1.000 88.48001  ?  53  GLU AA OE2 1 
ATOM   415 N N   . LEU A 1 54 ? -7.07543  -8.52533  1.04198  1.000 63.50689  ?  54  LEU AA N   1 
ATOM   416 C CA  . LEU A 1 54 ? -7.46087  -8.96281  2.38002  1.000 57.27028  ?  54  LEU AA CA  1 
ATOM   417 C C   . LEU A 1 54 ? -7.26262  -7.85035  3.40276  1.000 55.65571  ?  54  LEU AA C   1 
ATOM   418 O O   . LEU A 1 54 ? -8.12809  -7.61400  4.25574  1.000 56.35915  ?  54  LEU AA O   1 
ATOM   419 C CB  . LEU A 1 54 ? -6.65695  -10.20093 2.77798  1.000 54.20968  ?  54  LEU AA CB  1 
ATOM   420 C CG  . LEU A 1 54 ? -7.08050  -10.86799 4.08916  1.000 59.53954  ?  54  LEU AA CG  1 
ATOM   421 C CD1 . LEU A 1 54 ? -8.46559  -11.47283 3.94326  1.000 56.53370  ?  54  LEU AA CD1 1 
ATOM   422 C CD2 . LEU A 1 54 ? -6.07440  -11.92153 4.52116  1.000 40.68169  ?  54  LEU AA CD2 1 
ATOM   423 N N   . LEU A 1 55 ? -6.12199  -7.16044  3.33471  1.000 53.06927  ?  55  LEU AA N   1 
ATOM   424 C CA  . LEU A 1 55 ? -5.85184  -6.07638  4.27397  1.000 55.11587  ?  55  LEU AA CA  1 
ATOM   425 C C   . LEU A 1 55 ? -6.82731  -4.92103  4.08369  1.000 62.18929  ?  55  LEU AA C   1 
ATOM   426 O O   . LEU A 1 55 ? -7.24540  -4.28351  5.05981  1.000 63.26596  ?  55  LEU AA O   1 
ATOM   427 C CB  . LEU A 1 55 ? -4.41062  -5.60103  4.10767  1.000 55.57496  ?  55  LEU AA CB  1 
ATOM   428 C CG  . LEU A 1 55 ? -3.38940  -6.66836  4.49158  1.000 56.49450  ?  55  LEU AA CG  1 
ATOM   429 C CD1 . LEU A 1 55 ? -2.00060  -6.30653  3.99972  1.000 63.66672  ?  55  LEU AA CD1 1 
ATOM   430 C CD2 . LEU A 1 55 ? -3.39662  -6.86724  5.99412  1.000 61.84763  ?  55  LEU AA CD2 1 
ATOM   431 N N   . ASP A 1 56 ? -7.20246  -4.63788  2.83515  1.000 60.95535  ?  56  ASP AA N   1 
ATOM   432 C CA  . ASP A 1 56 ? -8.20242  -3.60787  2.57841  1.000 66.32250  ?  56  ASP AA CA  1 
ATOM   433 C C   . ASP A 1 56 ? -9.55333  -4.00021  3.16118  1.000 72.32803  ?  56  ASP AA C   1 
ATOM   434 O O   . ASP A 1 56 ? -10.27276 -3.15497  3.70469  1.000 73.00153  ?  56  ASP AA O   1 
ATOM   435 C CB  . ASP A 1 56 ? -8.31511  -3.35167  1.07672  1.000 61.22213  ?  56  ASP AA CB  1 
ATOM   436 C CG  . ASP A 1 56 ? -7.15578  -2.53603  0.53834  1.000 77.59747  ?  56  ASP AA CG  1 
ATOM   437 O OD1 . ASP A 1 56 ? -6.29660  -2.11204  1.34228  1.000 79.27619  ?  56  ASP AA OD1 1 
ATOM   438 O OD2 . ASP A 1 56 ? -7.10284  -2.31942  -0.68861 1.000 78.49102  ?  56  ASP AA OD2 1 
ATOM   439 N N   . MET A 1 57 ? -9.91618  -5.28047  3.05187  1.000 59.15332  ?  57  MET AA N   1 
ATOM   440 C CA  . MET A 1 57 ? -11.12796 -5.76221  3.70969  1.000 65.59849  ?  57  MET AA CA  1 
ATOM   441 C C   . MET A 1 57 ? -11.04535 -5.56822  5.21641  1.000 68.02474  ?  57  MET AA C   1 
ATOM   442 O O   . MET A 1 57 ? -12.02942 -5.18006  5.85923  1.000 73.38426  ?  57  MET AA O   1 
ATOM   443 C CB  . MET A 1 57 ? -11.35432 -7.23529  3.38858  1.000 57.07000  ?  57  MET AA CB  1 
ATOM   444 C CG  . MET A 1 57 ? -11.53651 -7.53981  1.92738  1.000 62.78531  ?  57  MET AA CG  1 
ATOM   445 S SD  . MET A 1 57 ? -11.85649 -9.29257  1.71807  1.000 75.37954  ?  57  MET AA SD  1 
ATOM   446 C CE  . MET A 1 57 ? -13.34548 -9.46812  2.69167  1.000 56.40190  ?  57  MET AA CE  1 
ATOM   447 N N   . LEU A 1 58 ? -9.87860  -5.85274  5.79637  1.000 65.95306  ?  58  LEU AA N   1 
ATOM   448 C CA  . LEU A 1 58 ? -9.68664  -5.64164  7.22713  1.000 66.13712  ?  58  LEU AA CA  1 
ATOM   449 C C   . LEU A 1 58 ? -9.91184  -4.18112  7.59668  1.000 66.26859  ?  58  LEU AA C   1 
ATOM   450 O O   . LEU A 1 58 ? -10.61715 -3.87400  8.56394  1.000 73.43041  ?  58  LEU AA O   1 
ATOM   451 C CB  . LEU A 1 58 ? -8.28613  -6.09196  7.64212  1.000 58.73409  ?  58  LEU AA CB  1 
ATOM   452 C CG  . LEU A 1 58 ? -7.93885  -5.96257  9.12919  1.000 58.15347  ?  58  LEU AA CG  1 
ATOM   453 C CD1 . LEU A 1 58 ? -9.13233  -6.29418  10.01936 1.000 57.47897  ?  58  LEU AA CD1 1 
ATOM   454 C CD2 . LEU A 1 58 ? -6.76858  -6.85532  9.47548  1.000 61.75465  ?  58  LEU AA CD2 1 
ATOM   455 N N   . ALA A 1 59 ? -9.31437  -3.26628  6.83293  1.000 64.11791  ?  59  ALA AA N   1 
ATOM   456 C CA  . ALA A 1 59 ? -9.47662  -1.84426  7.12305  1.000 67.94227  ?  59  ALA AA CA  1 
ATOM   457 C C   . ALA A 1 59 ? -10.93192 -1.41323  6.97374  1.000 65.53078  ?  59  ALA AA C   1 
ATOM   458 O O   . ALA A 1 59 ? -11.43514 -0.61300  7.77315  1.000 68.19798  ?  59  ALA AA O   1 
ATOM   459 C CB  . ALA A 1 59 ? -8.56999  -1.01517  6.21535  1.000 65.30494  ?  59  ALA AA CB  1 
ATOM   460 N N   . ARG A 1 60 ? -11.62300 -1.93895  5.96034  1.000 66.35026  ?  60  ARG AA N   1 
ATOM   461 C CA  . ARG A 1 60 ? -13.04234 -1.64551  5.78580  1.000 71.57350  ?  60  ARG AA CA  1 
ATOM   462 C C   . ARG A 1 60 ? -13.84293 -2.08914  7.00027  1.000 75.73944  ?  60  ARG AA C   1 
ATOM   463 O O   . ARG A 1 60 ? -14.70488 -1.35316  7.49676  1.000 83.59955  ?  60  ARG AA O   1 
ATOM   464 C CB  . ARG A 1 60 ? -13.57359 -2.33669  4.53026  1.000 72.23677  ?  60  ARG AA CB  1 
ATOM   465 C CG  . ARG A 1 60 ? -13.26349 -1.63149  3.22893  1.000 78.16945  ?  60  ARG AA CG  1 
ATOM   466 C CD  . ARG A 1 60 ? -13.75942 -2.45518  2.05562  1.000 83.58004  ?  60  ARG AA CD  1 
ATOM   467 N NE  . ARG A 1 60 ? -12.83092 -2.41595  0.93262  1.000 76.78791  ?  60  ARG AA NE  1 
ATOM   468 C CZ  . ARG A 1 60 ? -12.55998 -3.45065  0.14973  1.000 84.22404  ?  60  ARG AA CZ  1 
ATOM   469 N NH1 . ARG A 1 60 ? -13.12494 -4.63096  0.34180  1.000 77.87439  ?  60  ARG AA NH1 1 
ATOM   470 N NH2 . ARG A 1 60 ? -11.69807 -3.29614  -0.85297 1.000 91.67232  ?  60  ARG AA NH2 1 
ATOM   471 N N   . ALA A 1 61 ? -13.57463 -3.30285  7.48748  1.000 76.73914  ?  61  ALA AA N   1 
ATOM   472 C CA  . ALA A 1 61 ? -14.29853 -3.82293  8.63593  1.000 68.88038  ?  61  ALA AA CA  1 
ATOM   473 C C   . ALA A 1 61 ? -14.03023 -3.02279  9.89782  1.000 77.09869  ?  61  ALA AA C   1 
ATOM   474 O O   . ALA A 1 61 ? -14.84203 -3.07341  10.82197 1.000 78.72153  ?  61  ALA AA O   1 
ATOM   475 C CB  . ALA A 1 61 ? -13.94119 -5.29121  8.86677  1.000 60.21654  ?  61  ALA AA CB  1 
ATOM   476 N N   . GLU A 1 62 ? -12.90254 -2.31861  9.97203  1.000 70.97269  ?  62  GLU AA N   1 
ATOM   477 C CA  . GLU A 1 62 ? -12.63577 -1.40109  11.07132 1.000 84.47528  ?  62  GLU AA CA  1 
ATOM   478 C C   . GLU A 1 62 ? -13.23063 -0.02207  10.83314 1.000 82.12947  ?  62  GLU AA C   1 
ATOM   479 O O   . GLU A 1 62 ? -13.07789 0.85634   11.68835 1.000 81.16564  ?  62  GLU AA O   1 
ATOM   480 C CB  . GLU A 1 62 ? -11.13072 -1.29078  11.30720 1.000 65.78121  ?  62  GLU AA CB  1 
ATOM   481 C CG  . GLU A 1 62 ? -10.47136 -2.62355  11.61825 1.000 71.16463  ?  62  GLU AA CG  1 
ATOM   482 C CD  . GLU A 1 62 ? -8.95777  -2.54883  11.62323 1.000 82.25985  ?  62  GLU AA CD  1 
ATOM   483 O OE1 . GLU A 1 62 ? -8.34666  -2.86422  12.66585 1.000 91.20509  ?  62  GLU AA OE1 1 
ATOM   484 O OE2 . GLU A 1 62 ? -8.37773  -2.18081  10.58021 1.000 73.21688  ?  62  GLU AA OE2 1 
ATOM   485 N N   . ARG A 1 63 ? -13.94798 0.15757   9.72392  1.000 84.29520  ?  63  ARG AA N   1 
ATOM   486 C CA  . ARG A 1 63 ? -14.69127 1.38155   9.41645  1.000 88.31637  ?  63  ARG AA CA  1 
ATOM   487 C C   . ARG A 1 63 ? -13.77772 2.59638   9.45606  1.000 98.91913  ?  63  ARG AA C   1 
ATOM   488 O O   . ARG A 1 63 ? -13.27277 3.02952   8.42072  1.000 98.54400  ?  63  ARG AA O   1 
ATOM   489 C CB  . ARG A 1 63 ? -15.87836 1.58035   10.36738 1.000 78.58530  ?  63  ARG AA CB  1 
ATOM   490 C CG  . ARG A 1 63 ? -16.78491 0.37273   10.55262 1.000 75.84553  ?  63  ARG AA CG  1 
ATOM   491 C CD  . ARG A 1 63 ? -16.16233 -0.67567  11.42013 1.000 88.63506  ?  63  ARG AA CD  1 
ATOM   492 N NE  . ARG A 1 63 ? -15.68596 -0.15076  12.68801 1.000 100.30269 ?  63  ARG AA NE  1 
ATOM   493 C CZ  . ARG A 1 63 ? -16.48475 0.00523   13.72375 1.000 93.36536  ?  63  ARG AA CZ  1 
ATOM   494 N NH1 . ARG A 1 63 ? -17.74537 -0.37531  13.66550 1.000 83.99899  ?  63  ARG AA NH1 1 
ATOM   495 N NH2 . ARG A 1 63 ? -16.00527 0.54072   14.84131 1.000 100.93550 ?  63  ARG AA NH2 1 
HETATM 496 C C   . GOA B 2 1  ? -9.14653  -16.12036 16.98438 1.000 53.82230  ?  1   GOA B  C   1 
HETATM 497 C CA  . GOA B 2 1  ? -8.87139  -15.40569 18.30380 1.000 52.23230  ?  1   GOA B  CA  1 
HETATM 498 O O   . GOA B 2 1  ? -9.05841  -15.52305 15.91305 1.000 50.13230  ?  1   GOA B  O   1 
HETATM 499 O O2  . GOA B 2 1  ? -9.36686  -16.22387 19.36167 1.000 52.91230  ?  1   GOA B  O2  1 
HETATM 500 C C   . V4F B 2 2  ? -7.79212  -19.28555 20.36307 1.000 49.79230  ?  2   V4F B  C   1 
HETATM 501 C CAF . V4F B 2 2  ? -10.31389 -21.74868 19.28170 1.000 55.59230  ?  2   V4F B  CAF 1 
HETATM 502 C CAD . V4F B 2 2  ? -9.38937  -21.11128 20.10357 1.000 52.98230  ?  2   V4F B  CAD 1 
HETATM 503 C CAE . V4F B 2 2  ? -8.80489  -19.92586 19.64742 1.000 52.11230  ?  2   V4F B  CAE 1 
HETATM 504 C CAL . V4F B 2 2  ? -10.67995 -21.17171 18.08025 1.000 57.46230  ?  2   V4F B  CAL 1 
HETATM 505 C CAM . V4F B 2 2  ? -10.05941 -20.00699 17.65938 1.000 53.80230  ?  2   V4F B  CAM 1 
HETATM 506 C CAJ . V4F B 2 2  ? -10.40874 -19.45315 16.42948 1.000 59.24230  ?  2   V4F B  CAJ 1 
HETATM 507 C CAK . V4F B 2 2  ? -11.37293 -20.07766 15.64688 1.000 60.98230  ?  2   V4F B  CAK 1 
HETATM 508 C CAG . V4F B 2 2  ? -11.99230 -21.24355 16.06843 1.000 56.84230  ?  2   V4F B  CAG 1 
HETATM 509 C CAI . V4F B 2 2  ? -11.64071 -21.79018 17.29290 1.000 59.74230  ?  2   V4F B  CAI 1 
HETATM 510 C C01 . V4F B 2 2  ? -10.86405 -23.46987 20.87173 1.000 70.35230  ?  2   V4F B  C01 1 
HETATM 511 C CA  . V4F B 2 2  ? -9.81733  -18.27614 15.97097 1.000 53.80230  ?  2   V4F B  CA  1 
HETATM 512 N NAH . V4F B 2 2  ? -9.10322  -19.45692 18.42312 1.000 52.99230  ?  2   V4F B  NAH 1 
HETATM 513 N N   . V4F B 2 2  ? -9.50766  -17.40791 17.11736 1.000 50.23230  ?  2   V4F B  N   1 
HETATM 514 O O   . V4F B 2 2  ? -7.59413  -19.56179 21.54519 1.000 52.98230  ?  2   V4F B  O   1 
HETATM 515 O O01 . V4F B 2 2  ? -11.03206 -22.86307 19.58870 1.000 54.79230  ?  2   V4F B  O01 1 
HETATM 516 O O3  . V4F B 2 2  ? -12.76449 -25.00650 21.62763 1.000 84.27230  -1 2   V4F B  O3  1 
HETATM 517 O O2  . V4F B 2 2  ? -10.44126 -25.92849 21.38901 1.000 75.49230  -1 2   V4F B  O2  1 
HETATM 518 O O1  . V4F B 2 2  ? -11.72391 -25.34654 19.39220 1.000 64.74230  ?  2   V4F B  O1  1 
HETATM 519 P P   . V4F B 2 2  ? -11.53948 -25.10753 20.82570 1.000 74.50230  ?  2   V4F B  P   1 
HETATM 520 C C   . V53 B 2 3  ? -5.48441  -16.82776 15.50091 1.000 45.36230  ?  3   V53 B  C   1 
HETATM 521 C CAF . V53 B 2 3  ? -3.72449  -15.37713 18.38462 1.000 50.24230  ?  3   V53 B  CAF 1 
HETATM 522 C CAD . V53 B 2 3  ? -4.10152  -15.58716 17.06114 1.000 53.52230  ?  3   V53 B  CAD 1 
HETATM 523 C CAJ . V53 B 2 3  ? -5.13934  -16.48535 16.80150 1.000 58.05230  ?  3   V53 B  CAJ 1 
HETATM 524 C CAL . V53 B 2 3  ? -4.39302  -16.04156 19.41088 1.000 58.80230  ?  3   V53 B  CAL 1 
HETATM 525 C CAM . V53 B 2 3  ? -5.42350  -16.91855 19.08510 1.000 51.16230  ?  3   V53 B  CAM 1 
HETATM 526 C CA  . V53 B 2 3  ? -6.02781  -17.70586 20.05334 1.000 50.97230  ?  3   V53 B  CA  1 
HETATM 527 C CAK . V53 B 2 3  ? -5.74972  -17.43323 21.39248 1.000 54.75230  ?  3   V53 B  CAK 1 
HETATM 528 C CAG . V53 B 2 3  ? -4.74347  -16.53020 21.73405 1.000 51.50230  ?  3   V53 B  CAG 1 
HETATM 529 C CAI . V53 B 2 3  ? -4.05964  -15.82709 20.74626 1.000 48.02230  ?  3   V53 B  CAI 1 
HETATM 530 C C01 . V53 B 2 3  ? -2.16734  -13.75474 17.69815 1.000 47.67230  ?  3   V53 B  C01 1 
HETATM 531 N NAH . V53 B 2 3  ? -5.69761  -17.17856 17.80049 1.000 55.13230  ?  3   V53 B  NAH 1 
HETATM 532 N N   . V53 B 2 3  ? -7.05711  -18.44050 19.60536 1.000 48.42230  ?  3   V53 B  N   1 
HETATM 533 O O   . V53 B 2 3  ? -5.15036  -16.12640 14.54922 1.000 44.35230  ?  3   V53 B  O   1 
HETATM 534 O O01 . V53 B 2 3  ? -2.76773  -14.48466 18.77211 1.000 45.92230  ?  3   V53 B  O01 1 
HETATM 535 O O1  . V53 B 2 3  ? -0.16317  -12.35369 17.03936 1.000 52.60230  -1 3   V53 B  O1  1 
HETATM 536 O O2  . V53 B 2 3  ? -1.27604  -11.82069 19.18779 1.000 74.29230  ?  3   V53 B  O2  1 
HETATM 537 O O3  . V53 B 2 3  ? 0.07100   -13.90716 18.95437 1.000 55.46230  -1 3   V53 B  O3  1 
HETATM 538 P P   . V53 B 2 3  ? -0.74016  -12.86396 18.30536 1.000 54.30230  ?  3   V53 B  P   1 
HETATM 539 C C   . V4F B 2 4  ? -6.36497  -21.52839 18.22983 1.000 53.76230  ?  4   V4F B  C   1 
HETATM 540 C CAF . V4F B 2 4  ? -8.61524  -22.63533 15.56340 1.000 62.67230  ?  4   V4F B  CAF 1 
HETATM 541 C CAD . V4F B 2 4  ? -7.98059  -22.60277 16.79833 1.000 53.33230  ?  4   V4F B  CAD 1 
HETATM 542 C CAE . V4F B 2 4  ? -7.10248  -21.55480 17.04982 1.000 55.39230  ?  4   V4F B  CAE 1 
HETATM 543 C CAL . V4F B 2 4  ? -8.45287  -21.57378 14.67324 1.000 58.77230  ?  4   V4F B  CAL 1 
HETATM 544 C CAM . V4F B 2 4  ? -7.58944  -20.51881 14.97783 1.000 53.28230  ?  4   V4F B  CAM 1 
HETATM 545 C CAJ . V4F B 2 4  ? -7.32533  -19.53370 14.00735 1.000 53.87230  ?  4   V4F B  CAJ 1 
HETATM 546 C CAK . V4F B 2 4  ? -8.09188  -19.54349 12.84396 1.000 50.98230  ?  4   V4F B  CAK 1 
HETATM 547 C CAG . V4F B 2 4  ? -8.97618  -20.57110 12.55536 1.000 55.93230  ?  4   V4F B  CAG 1 
HETATM 548 C CAI . V4F B 2 4  ? -9.15422  -21.59098 13.47550 1.000 61.51230  ?  4   V4F B  CAI 1 
HETATM 549 C C01 . V4F B 2 4  ? -9.88966  -24.51008 16.23631 1.000 54.87230  ?  4   V4F B  C01 1 
HETATM 550 C CA  . V4F B 2 4  ? -6.57596  -18.36008 14.16377 1.000 59.61230  ?  4   V4F B  CA  1 
HETATM 551 N NAH . V4F B 2 4  ? -6.88490  -20.59892 16.12233 1.000 58.65230  ?  4   V4F B  NAH 1 
HETATM 552 N N   . V4F B 2 4  ? -6.20544  -17.96561 15.39823 1.000 49.00230  ?  4   V4F B  N   1 
HETATM 553 O O   . V4F B 2 4  ? -6.63675  -22.31902 19.13359 1.000 61.92230  ?  4   V4F B  O   1 
HETATM 554 O O01 . V4F B 2 4  ? -9.56415  -23.55577 15.20967 1.000 59.94230  ?  4   V4F B  O01 1 
HETATM 555 O O3  . V4F B 2 4  ? -12.20014 -24.95631 15.26998 1.000 66.90230  -1 4   V4F B  O3  1 
HETATM 556 O O2  . V4F B 2 4  ? -11.24601 -26.63077 16.76659 1.000 68.20230  ?  4   V4F B  O2  1 
HETATM 557 O O1  . V4F B 2 4  ? -10.31742 -26.39572 14.46901 1.000 90.57230  -1 4   V4F B  O1  1 
HETATM 558 P P   . V4F B 2 4  ? -11.00940 -25.77101 15.60267 1.000 73.84230  ?  4   V4F B  P   1 
HETATM 559 C C   . V53 B 2 5  ? -1.98746  -17.97165 16.09026 1.000 49.07230  ?  5   V53 B  C   1 
HETATM 560 C CAF . V53 B 2 5  ? -1.57055  -18.29054 19.68204 1.000 48.42230  ?  5   V53 B  CAF 1 
HETATM 561 C CAD . V53 B 2 5  ? -1.33593  -17.92706 18.36526 1.000 52.80230  ?  5   V53 B  CAD 1 
HETATM 562 C CAJ . V53 B 2 5  ? -2.27752  -18.27296 17.40364 1.000 47.99230  ?  5   V53 B  CAJ 1 
HETATM 563 C CAL . V53 B 2 5  ? -2.61012  -19.15597 19.98047 1.000 47.48230  ?  5   V53 B  CAL 1 
HETATM 564 C CAM . V53 B 2 5  ? -3.47751  -19.53437 18.96541 1.000 56.39230  ?  5   V53 B  CAM 1 
HETATM 565 C CA  . V53 B 2 5  ? -4.47855  -20.46287 19.20974 1.000 48.22230  ?  5   V53 B  CA  1 
HETATM 566 C CAK . V53 B 2 5  ? -4.74528  -20.80936 20.53174 1.000 55.15230  ?  5   V53 B  CAK 1 
HETATM 567 C CAG . V53 B 2 5  ? -3.89724  -20.41027 21.55665 1.000 50.71230  ?  5   V53 B  CAG 1 
HETATM 568 C CAI . V53 B 2 5  ? -2.82317  -19.57788 21.28117 1.000 46.72230  ?  5   V53 B  CAI 1 
HETATM 569 C C01 . V53 B 2 5  ? 0.41611   -17.25784 20.30215 1.000 55.72230  ?  5   V53 B  C01 1 
HETATM 570 N NAH . V53 B 2 5  ? -3.20743  -19.18460 17.69941 1.000 51.46230  ?  5   V53 B  NAH 1 
HETATM 571 N N   . V53 B 2 5  ? -5.32585  -20.66243 18.19833 1.000 48.31230  ?  5   V53 B  N   1 
HETATM 572 O O   . V53 B 2 5  ? -1.30596  -16.98412 15.82122 1.000 54.16230  ?  5   V53 B  O   1 
HETATM 573 O O01 . V53 B 2 5  ? -0.74248  -17.98726 20.71224 1.000 54.85230  ?  5   V53 B  O01 1 
HETATM 574 O O1  . V53 B 2 5  ? 2.29440   -15.79338 21.13422 1.000 78.96230  -1 5   V53 B  O1  1 
HETATM 575 O O2  . V53 B 2 5  ? 0.18089   -15.87416 22.44897 1.000 66.41230  ?  5   V53 B  O2  1 
HETATM 576 O O3  . V53 B 2 5  ? 1.71718   -17.85353 22.35496 1.000 64.35230  -1 5   V53 B  O3  1 
HETATM 577 P P   . V53 B 2 5  ? 1.22026   -16.60704 21.71745 1.000 83.93230  ?  5   V53 B  P   1 
HETATM 578 C C   . V5F B 2 6  ? -4.03309  -23.30957 13.94186 1.000 53.10230  ?  6   V5F B  C   1 
HETATM 579 C C6  . V5F B 2 6  ? -3.89006  -22.02743 13.12108 1.000 49.78230  ?  6   V5F B  C6  1 
HETATM 580 C C2  . V5F B 2 6  ? -2.76436  -19.94905 11.78575 1.000 48.12230  ?  6   V5F B  C2  1 
HETATM 581 C C1  . V5F B 2 6  ? -2.88118  -19.90435 13.17476 1.000 45.30230  ?  6   V5F B  C1  1 
HETATM 582 C CA  . V5F B 2 6  ? -2.32518  -18.85101 13.89388 1.000 50.65230  ?  6   V5F B  CA  1 
HETATM 583 C C5  . V5F B 2 6  ? -1.82678  -17.76666 13.18311 1.000 47.14230  ?  6   V5F B  C5  1 
HETATM 584 C C4  . V5F B 2 6  ? -1.76511  -17.79497 11.79125 1.000 38.83230  ?  6   V5F B  C4  1 
HETATM 585 C C3  . V5F B 2 6  ? -2.23690  -18.88187 11.07784 1.000 45.29230  ?  6   V5F B  C3  1 
HETATM 586 C CB  . V5F B 2 6  ? -5.30695  -21.70036 12.63459 1.000 49.67230  ?  6   V5F B  CB  1 
HETATM 587 N N   . V5F B 2 6  ? -2.47059  -18.90611 15.22916 1.000 54.43230  ?  6   V5F B  N   1 
HETATM 588 O O   . V5F B 2 6  ? -4.46829  -24.32183 13.39877 1.000 53.86230  ?  6   V5F B  O   1 
HETATM 589 O O1  . V5F B 2 6  ? -3.32986  -20.96539 13.91136 1.000 48.81230  ?  6   V5F B  O1  1 
HETATM 590 C C   . V4F B 2 7  ? -0.35627  -21.14647 17.38062 1.000 52.89230  ?  7   V4F B  C   1 
HETATM 591 C CAF . V4F B 2 7  ? -1.91232  -22.95423 20.17321 1.000 62.03230  ?  7   V4F B  CAF 1 
HETATM 592 C CAD . V4F B 2 7  ? -1.07217  -22.05269 19.52543 1.000 50.08230  ?  7   V4F B  CAD 1 
HETATM 593 C CAE . V4F B 2 7  ? -1.14836  -22.00852 18.13188 1.000 55.05230  ?  7   V4F B  CAE 1 
HETATM 594 C CAL . V4F B 2 7  ? -2.77542  -23.75978 19.45271 1.000 59.13230  ?  7   V4F B  CAL 1 
HETATM 595 C CAM . V4F B 2 7  ? -2.80710  -23.68533 18.06683 1.000 53.46230  ?  7   V4F B  CAM 1 
HETATM 596 C CAJ . V4F B 2 7  ? -3.69322  -24.51029 17.36875 1.000 54.15230  ?  7   V4F B  CAJ 1 
HETATM 597 C CAK . V4F B 2 7  ? -4.50653  -25.39183 18.07407 1.000 54.66230  ?  7   V4F B  CAK 1 
HETATM 598 C CAG . V4F B 2 7  ? -4.47029  -25.45947 19.45927 1.000 51.85230  ?  7   V4F B  CAG 1 
HETATM 599 C CAI . V4F B 2 7  ? -3.59633  -24.63494 20.15107 1.000 47.26230  ?  7   V4F B  CAI 1 
HETATM 600 C C01 . V4F B 2 7  ? -1.16842  -22.38649 22.38615 1.000 64.92230  ?  7   V4F B  C01 1 
HETATM 601 C CA  . V4F B 2 7  ? -3.82151  -24.55416 15.97867 1.000 56.25230  ?  7   V4F B  CA  1 
HETATM 602 N NAH . V4F B 2 7  ? -1.96257  -22.84419 17.44933 1.000 54.74230  ?  7   V4F B  NAH 1 
HETATM 603 N N   . V4F B 2 7  ? -3.66378  -23.29309 15.23341 1.000 53.80230  ?  7   V4F B  N   1 
HETATM 604 O O   . V4F B 2 7  ? 0.34342   -20.30988 17.94422 1.000 53.24230  ?  7   V4F B  O   1 
HETATM 605 O O01 . V4F B 2 7  ? -1.99565  -23.15033 21.51410 1.000 60.47230  ?  7   V4F B  O01 1 
HETATM 606 O O3  . V4F B 2 7  ? 0.08832   -22.59778 24.55987 1.000 64.09230  -1 7   V4F B  O3  1 
HETATM 607 O O2  . V4F B 2 7  ? -2.35346  -23.11440 24.54303 1.000 58.08230  ?  7   V4F B  O2  1 
HETATM 608 O O1  . V4F B 2 7  ? -0.71981  -24.66827 23.48758 1.000 70.06230  -1 7   V4F B  O1  1 
HETATM 609 P P   . V4F B 2 7  ? -1.04402  -23.29573 23.90876 1.000 76.43230  ?  7   V4F B  P   1 
HETATM 610 C C   . V53 B 2 8  ? -0.71416  -24.44287 12.38221 1.000 59.31230  ?  8   V53 B  C   1 
HETATM 611 C CAF . V53 B 2 8  ? 0.71579   -21.20132 11.51605 1.000 49.06230  ?  8   V53 B  CAF 1 
HETATM 612 C CAD . V53 B 2 8  ? 0.23087   -22.49368 11.38283 1.000 52.59230  ?  8   V53 B  CAD 1 
HETATM 613 C CAJ . V53 B 2 8  ? -0.32904  -23.11816 12.49753 1.000 51.59230  ?  8   V53 B  CAJ 1 
HETATM 614 C CAL . V53 B 2 8  ? 0.74355   -20.60391 12.76833 1.000 49.51230  ?  8   V53 B  CAL 1 
HETATM 615 C CAM . V53 B 2 8  ? 0.19639   -21.28269 13.84852 1.000 43.53230  ?  8   V53 B  CAM 1 
HETATM 616 C CA  . V53 B 2 8  ? 0.32710   -20.78577 15.13342 1.000 49.26230  ?  8   V53 B  CA  1 
HETATM 617 C CAK . V53 B 2 8  ? 0.72852   -19.45759 15.27780 1.000 45.52230  ?  8   V53 B  CAK 1 
HETATM 618 C CAG . V53 B 2 8  ? 1.24074   -18.74622 14.19574 1.000 45.01230  ?  8   V53 B  CAG 1 
HETATM 619 C CAI . V53 B 2 8  ? 1.24782   -19.31954 12.93170 1.000 48.52230  ?  8   V53 B  CAI 1 
HETATM 620 C C01 . V53 B 2 8  ? 1.29350   -21.15277 9.23254  1.000 46.87230  ?  8   V53 B  C01 1 
HETATM 621 N NAH . V53 B 2 8  ? -0.22214  -22.54689 13.70203 1.000 49.25230  ?  8   V53 B  NAH 1 
HETATM 622 N N   . V53 B 2 8  ? -0.34780  -21.45107 16.06641 1.000 53.88230  ?  8   V53 B  N   1 
HETATM 623 O O   . V53 B 2 8  ? -1.02227  -24.92005 11.29027 1.000 65.40230  ?  8   V53 B  O   1 
HETATM 624 O O01 . V53 B 2 8  ? 1.25044   -20.47792 10.49329 1.000 53.87230  ?  8   V53 B  O01 1 
HETATM 625 O O1  . V53 B 2 8  ? 1.43159   -20.71328 6.70256  1.000 48.02230  ?  8   V53 B  O1  1 
HETATM 626 O O2  . V53 B 2 8  ? 3.13891   -19.78921 8.21665  1.000 51.46230  -1 8   V53 B  O2  1 
HETATM 627 O O3  . V53 B 2 8  ? 0.84734   -18.79919 8.18081  1.000 49.48230  -1 8   V53 B  O3  1 
HETATM 628 P P   . V53 B 2 8  ? 1.69292   -19.97635 7.94294  1.000 60.63230  ?  8   V53 B  P   1 
HETATM 629 C C   . V4F B 2 9  ? 1.34559   -24.13527 17.34132 1.000 54.51230  ?  9   V4F B  C   1 
HETATM 630 C CAF . V4F B 2 9  ? -0.98080  -26.72598 18.47891 1.000 64.03230  ?  9   V4F B  CAF 1 
HETATM 631 C CAD . V4F B 2 9  ? -0.01534  -25.72985 18.52821 1.000 61.08230  ?  9   V4F B  CAD 1 
HETATM 632 C CAE . V4F B 2 9  ? 0.39545   -25.15530 17.32711 1.000 55.11230  ?  9   V4F B  CAE 1 
HETATM 633 C CAL . V4F B 2 9  ? -1.46177  -27.16024 17.25388 1.000 56.53230  ?  9   V4F B  CAL 1 
HETATM 634 C CAM . V4F B 2 9  ? -1.00983  -26.57464 16.07189 1.000 55.40230  ?  9   V4F B  CAM 1 
HETATM 635 C CAJ . V4F B 2 9  ? -1.53796  -27.02608 14.85257 1.000 60.00230  ?  9   V4F B  CAJ 1 
HETATM 636 C CAK . V4F B 2 9  ? -2.48073  -28.04899 14.85072 1.000 64.75230  ?  9   V4F B  CAK 1 
HETATM 637 C CAG . V4F B 2 9  ? -2.92267  -28.62453 16.03147 1.000 62.35230  ?  9   V4F B  CAG 1 
HETATM 638 C CAI . V4F B 2 9  ? -2.40744  -28.17700 17.23755 1.000 57.37230  ?  9   V4F B  CAI 1 
HETATM 639 C C01 . V4F B 2 9  ? -0.92543  -26.99938 20.82955 1.000 67.62230  ?  9   V4F B  C01 1 
HETATM 640 C CA  . V4F B 2 9  ? -1.19569  -26.53295 13.59031 1.000 58.81230  ?  9   V4F B  CA  1 
HETATM 641 N NAH . V4F B 2 9  ? -0.07166  -25.61116 16.14308 1.000 56.40230  ?  9   V4F B  NAH 1 
HETATM 642 N N   . V4F B 2 9  ? -0.79792  -25.11369 13.55455 1.000 55.18230  ?  9   V4F B  N   1 
HETATM 643 O O   . V4F B 2 9  ? 1.69936   -23.64508 18.41334 1.000 59.46230  ?  9   V4F B  O   1 
HETATM 644 O O01 . V4F B 2 9  ? -1.47811  -27.38821 19.56686 1.000 54.24230  ?  9   V4F B  O01 1 
HETATM 645 O O3  . V4F B 2 9  ? -2.72329  -26.72090 22.61966 1.000 71.88230  -1 9   V4F B  O3  1 
HETATM 646 O O2  . V4F B 2 9  ? -0.79797  -28.20631 23.11436 1.000 80.91230  ?  9   V4F B  O2  1 
HETATM 647 O O1  . V4F B 2 9  ? -2.54516  -28.89652 21.47952 1.000 74.16230  -1 9   V4F B  O1  1 
HETATM 648 P P   . V4F B 2 9  ? -1.83060  -27.80618 22.15510 1.000 76.78230  ?  9   V4F B  P   1 
HETATM 649 C C   . V53 B 2 10 ? 2.63727   -24.57853 11.49862 1.000 56.55230  ?  10  V53 B  C   1 
HETATM 650 C CAF . V53 B 2 10 ? 4.37986   -21.65077 12.84299 1.000 51.71230  ?  10  V53 B  CAF 1 
HETATM 651 C CAD . V53 B 2 10 ? 3.95171   -22.60461 11.93006 1.000 51.09230  ?  10  V53 B  CAD 1 
HETATM 652 C CAJ . V53 B 2 10 ? 3.09842   -23.60800 12.37896 1.000 55.26230  ?  10  V53 B  CAJ 1 
HETATM 653 C CAL . V53 B 2 10 ? 3.98897   -21.73497 14.17274 1.000 49.26230  ?  10  V53 B  CAL 1 
HETATM 654 C CAM . V53 B 2 10 ? 3.09648   -22.72797 14.55382 1.000 51.61230  ?  10  V53 B  CAM 1 
HETATM 655 C CA  . V53 B 2 10 ? 2.74337   -22.87604 15.89069 1.000 51.59230  ?  10  V53 B  CA  1 
HETATM 656 C CAK . V53 B 2 10 ? 3.11936   -21.89033 16.80425 1.000 44.63230  ?  10  V53 B  CAK 1 
HETATM 657 C CAG . V53 B 2 10 ? 3.98196   -20.86872 16.41883 1.000 43.85230  ?  10  V53 B  CAG 1 
HETATM 658 C CAI . V53 B 2 10 ? 4.40909   -20.78522 15.09638 1.000 48.50230  ?  10  V53 B  CAI 1 
HETATM 659 C C01 . V53 B 2 10 ? 5.58157   -20.61098 11.14123 1.000 58.12230  ?  10  V53 B  C01 1 
HETATM 660 N NAH . V53 B 2 10 ? 2.70187   -23.65087 13.66101 1.000 52.14230  ?  10  V53 B  NAH 1 
HETATM 661 N N   . V53 B 2 10 ? 1.82532   -23.82239 16.11924 1.000 55.41230  ?  10  V53 B  N   1 
HETATM 662 O O   . V53 B 2 10 ? 2.97321   -24.54422 10.29521 1.000 62.25230  ?  10  V53 B  O   1 
HETATM 663 O O01 . V53 B 2 10 ? 5.23575   -20.63927 12.53003 1.000 60.76230  ?  10  V53 B  O01 1 
HETATM 664 O O1  . V53 B 2 10 ? 7.26334   -19.85076 9.50514  1.000 61.91230  -1 10  V53 B  O1  1 
HETATM 665 O O2  . V53 B 2 10 ? 6.06430   -18.16867 10.95182 1.000 53.28230  -1 10  V53 B  O2  1 
HETATM 666 O O3  . V53 B 2 10 ? 7.75479   -19.74942 11.99260 1.000 64.92230  ?  10  V53 B  O3  1 
HETATM 667 P P   . V53 B 2 10 ? 6.89684   -19.38108 10.85550 1.000 71.43230  ?  10  V53 B  P   1 
HETATM 668 O OXT . V53 B 2 10 ? 1.95061   -25.52885 11.93227 1.000 54.26230  -1 10  V53 B  OXT 1 
HETATM 669 C C   . GOA C 2 1  ? 16.31395  -32.82644 16.08503 1.000 67.37930  ?  1   GOA C  C   1 
HETATM 670 C CA  . GOA C 2 1  ? 17.16482  -31.86248 16.92770 1.000 53.86930  ?  1   GOA C  CA  1 
HETATM 671 O O   . GOA C 2 1  ? 15.83155  -33.83407 16.60084 1.000 66.63930  ?  1   GOA C  O   1 
HETATM 672 O O2  . GOA C 2 1  ? 17.85250  -30.92144 16.09071 1.000 71.89930  ?  1   GOA C  O2  1 
HETATM 673 C C   . V4F C 2 2  ? 16.18926  -28.59809 13.78155 1.000 71.42930  ?  2   V4F C  C   1 
HETATM 674 C CAF . V4F C 2 2  ? 16.18903  -30.11793 10.41940 1.000 75.52930  ?  2   V4F C  CAF 1 
HETATM 675 C CAD . V4F C 2 2  ? 16.30024  -29.11808 11.38345 1.000 75.49930  ?  2   V4F C  CAD 1 
HETATM 676 C CAE . V4F C 2 2  ? 16.14197  -29.48863 12.71635 1.000 74.32930  ?  2   V4F C  CAE 1 
HETATM 677 C CAL . V4F C 2 2  ? 15.94260  -31.43238 10.79712 1.000 74.89930  ?  2   V4F C  CAL 1 
HETATM 678 C CAM . V4F C 2 2  ? 15.77949  -31.73451 12.14061 1.000 74.53930  ?  2   V4F C  CAM 1 
HETATM 679 C CAJ . V4F C 2 2  ? 15.52042  -33.04350 12.54334 1.000 79.65930  ?  2   V4F C  CAJ 1 
HETATM 680 C CAK . V4F C 2 2  ? 15.42286  -34.04709 11.58609 1.000 73.25930  ?  2   V4F C  CAK 1 
HETATM 681 C CAG . V4F C 2 2  ? 15.58531  -33.74576 10.23871 1.000 82.09930  ?  2   V4F C  CAG 1 
HETATM 682 C CAI . V4F C 2 2  ? 15.84526  -32.43827 9.84372  1.000 81.67930  ?  2   V4F C  CAI 1 
HETATM 683 C C01 . V4F C 2 2  ? 16.65794  -28.55803 8.73035  1.000 91.27930  ?  2   V4F C  C01 1 
HETATM 684 C CA  . V4F C 2 2  ? 15.35536  -33.37691 13.89093 1.000 71.62930  ?  2   V4F C  CA  1 
HETATM 685 N NAH . V4F C 2 2  ? 15.83056  -30.75129 13.04248 1.000 67.92930  ?  2   V4F C  NAH 1 
HETATM 686 N N   . V4F C 2 2  ? 16.15539  -32.51373 14.78263 1.000 66.42930  ?  2   V4F C  N   1 
HETATM 687 O O   . V4F C 2 2  ? 16.62750  -27.45664 13.63972 1.000 67.73930  ?  2   V4F C  O   1 
HETATM 688 O O01 . V4F C 2 2  ? 16.34970  -29.91113 9.08094  1.000 88.67930  ?  2   V4F C  O01 1 
HETATM 689 O O3  . V4F C 2 2  ? 18.04819  -28.90320 6.66179  1.000 90.30930  -1 2   V4F C  O3  1 
HETATM 690 O O2  . V4F C 2 2  ? 16.50507  -26.96969 6.72790  1.000 85.33930  -1 2   V4F C  O2  1 
HETATM 691 O O1  . V4F C 2 2  ? 15.59762  -29.28535 6.49952  1.000 93.96930  ?  2   V4F C  O1  1 
HETATM 692 P P   . V4F C 2 2  ? 16.68255  -28.41051 6.96146  1.000 105.47930 ?  2   V4F C  P   1 
HETATM 693 C C   . V53 C 2 3  ? 12.77623  -32.18433 17.03122 1.000 65.34930  ?  3   V53 C  C   1 
HETATM 694 C CAF . V53 C 2 3  ? 14.10310  -29.57496 19.28094 1.000 72.31930  ?  3   V53 C  CAF 1 
HETATM 695 C CAD . V53 C 2 3  ? 13.37802  -30.69813 18.87971 1.000 62.66930  ?  3   V53 C  CAD 1 
HETATM 696 C CAJ . V53 C 2 3  ? 13.49442  -31.10777 17.54870 1.000 61.69930  ?  3   V53 C  CAJ 1 
HETATM 697 C CAL . V53 C 2 3  ? 14.83789  -28.85031 18.35460 1.000 58.71930  ?  3   V53 C  CAL 1 
HETATM 698 C CAM . V53 C 2 3  ? 14.91235  -29.30122 17.05030 1.000 60.55930  ?  3   V53 C  CAM 1 
HETATM 699 C CA  . V53 C 2 3  ? 15.52995  -28.53581 16.07217 1.000 61.53930  ?  3   V53 C  CA  1 
HETATM 700 C CAK . V53 C 2 3  ? 16.31740  -27.45693 16.47045 1.000 57.83930  ?  3   V53 C  CAK 1 
HETATM 701 C CAG . V53 C 2 3  ? 16.28323  -27.01830 17.79208 1.000 63.07930  ?  3   V53 C  CAG 1 
HETATM 702 C CAI . V53 C 2 3  ? 15.54012  -27.71426 18.73942 1.000 62.46930  ?  3   V53 C  CAI 1 
HETATM 703 C C01 . V53 C 2 3  ? 13.32844  -29.66730 21.55665 1.000 95.22930  ?  3   V53 C  C01 1 
HETATM 704 N NAH . V53 C 2 3  ? 14.17570  -30.35348 16.67443 1.000 62.23930  ?  3   V53 C  NAH 1 
HETATM 705 N N   . V53 C 2 3  ? 15.63721  -29.13353 14.89048 1.000 63.55930  ?  3   V53 C  N   1 
HETATM 706 O O   . V53 C 2 3  ? 12.25551  -33.03113 17.75751 1.000 70.23930  ?  3   V53 C  O   1 
HETATM 707 O O01 . V53 C 2 3  ? 14.11804  -29.04500 20.53833 1.000 85.35930  ?  3   V53 C  O01 1 
HETATM 708 O O1  . V53 C 2 3  ? 15.01201  -28.21821 22.84686 1.000 74.02930  -1 3   V53 C  O1  1 
HETATM 709 O O2  . V53 C 2 3  ? 14.66169  -30.55638 23.52834 1.000 99.79930  -1 3   V53 C  O2  1 
HETATM 710 O O3  . V53 C 2 3  ? 12.88070  -28.87282 23.97552 1.000 93.68930  ?  3   V53 C  O3  1 
HETATM 711 P P   . V53 C 2 3  ? 14.03001  -29.27075 23.15348 1.000 116.18930 ?  3   V53 C  P   1 
HETATM 712 C C   . V4F C 2 4  ? 12.90638  -28.56316 13.10350 1.000 73.44930  ?  4   V4F C  C   1 
HETATM 713 C CAF . V4F C 2 4  ? 12.63457  -31.21434 10.55304 1.000 81.97930  ?  4   V4F C  CAF 1 
HETATM 714 C CAD . V4F C 2 4  ? 12.76870  -29.95410 11.12366 1.000 71.51930  ?  4   V4F C  CAD 1 
HETATM 715 C CAE . V4F C 2 4  ? 12.73861  -29.81125 12.49884 1.000 68.87930  ?  4   V4F C  CAE 1 
HETATM 716 C CAL . V4F C 2 4  ? 12.37902  -32.33054 11.40064 1.000 70.34930  ?  4   V4F C  CAL 1 
HETATM 717 C CAM . V4F C 2 4  ? 12.36627  -32.13314 12.79422 1.000 69.75930  ?  4   V4F C  CAM 1 
HETATM 718 C CAJ . V4F C 2 4  ? 12.00863  -33.18430 13.66827 1.000 71.71930  ?  4   V4F C  CAJ 1 
HETATM 719 C CAK . V4F C 2 4  ? 11.90500  -34.47016 13.15513 1.000 72.26930  ?  4   V4F C  CAK 1 
HETATM 720 C CAG . V4F C 2 4  ? 11.95513  -34.70463 11.79745 1.000 76.11930  ?  4   V4F C  CAG 1 
HETATM 721 C CAI . V4F C 2 4  ? 12.18431  -33.63635 10.95309 1.000 68.77930  ?  4   V4F C  CAI 1 
HETATM 722 C C01 . V4F C 2 4  ? 12.63304  -32.37929 8.26781  1.000 84.41930  ?  4   V4F C  C01 1 
HETATM 723 C CA  . V4F C 2 4  ? 12.05473  -33.18898 15.06744 1.000 65.96930  ?  4   V4F C  CA  1 
HETATM 724 N NAH . V4F C 2 4  ? 12.45783  -30.87598 13.26892 1.000 67.10930  ?  4   V4F C  NAH 1 
HETATM 725 N N   . V4F C 2 4  ? 12.72177  -32.19560 15.68102 1.000 62.74930  ?  4   V4F C  N   1 
HETATM 726 O O   . V4F C 2 4  ? 13.33979  -27.61355 12.45090 1.000 66.77930  ?  4   V4F C  O   1 
HETATM 727 O O01 . V4F C 2 4  ? 12.71346  -31.24784 9.15919  1.000 80.45930  ?  4   V4F C  O01 1 
HETATM 728 O O3  . V4F C 2 4  ? 12.97499  -30.43805 6.69303  1.000 91.27930  ?  4   V4F C  O3  1 
HETATM 729 O O2  . V4F C 2 4  ? 14.23037  -32.55721 6.30229  1.000 105.41930 -1 4   V4F C  O2  1 
HETATM 730 O O1  . V4F C 2 4  ? 11.75225  -32.41702 5.92025  1.000 101.07930 -1 4   V4F C  O1  1 
HETATM 731 P P   . V4F C 2 4  ? 12.95207  -31.90378 6.61860  1.000 105.48930 ?  4   V4F C  P   1 
HETATM 732 C C   . V53 C 2 5  ? 9.97802   -30.14826 18.06025 1.000 68.48930  ?  5   V53 C  C   1 
HETATM 733 C CAF . V53 C 2 5  ? 11.64435  -26.95791 18.71296 1.000 68.00930  ?  5   V53 C  CAF 1 
HETATM 734 C CAD . V53 C 2 5  ? 10.87980  -28.09844 18.94134 1.000 62.48930  ?  5   V53 C  CAD 1 
HETATM 735 C CAJ . V53 C 2 5  ? 10.82192  -29.05853 17.92927 1.000 67.27930  ?  5   V53 C  CAJ 1 
HETATM 736 C CAL . V53 C 2 5  ? 12.23617  -26.75011 17.47544 1.000 59.90930  ?  5   V53 C  CAL 1 
HETATM 737 C CAM . V53 C 2 5  ? 12.09757  -27.71374 16.49146 1.000 59.74930  ?  5   V53 C  CAM 1 
HETATM 738 C CA  . V53 C 2 5  ? 12.56543  -27.48752 15.20384 1.000 63.07930  ?  5   V53 C  CA  1 
HETATM 739 C CAK . V53 C 2 5  ? 13.40607  -26.39496 14.99446 1.000 66.33930  ?  5   V53 C  CAK 1 
HETATM 740 C CAG . V53 C 2 5  ? 13.57668  -25.43405 15.98623 1.000 66.05930  ?  5   V53 C  CAG 1 
HETATM 741 C CAI . V53 C 2 5  ? 12.98964  -25.60993 17.23416 1.000 63.78930  ?  5   V53 C  CAI 1 
HETATM 742 C C01 . V53 C 2 5  ? 11.26500  -26.08986 20.92304 1.000 94.20930  ?  5   V53 C  C01 1 
HETATM 743 N NAH . V53 C 2 5  ? 11.29878  -28.76209 16.71523 1.000 62.39930  ?  5   V53 C  NAH 1 
HETATM 744 N N   . V53 C 2 5  ? 12.51460  -28.54148 14.39517 1.000 70.56930  ?  5   V53 C  N   1 
HETATM 745 O O   . V53 C 2 5  ? 9.72609   -30.62616 19.16598 1.000 72.56930  ?  5   V53 C  O   1 
HETATM 746 O O01 . V53 C 2 5  ? 11.86209  -25.96877 19.62541 1.000 83.12930  ?  5   V53 C  O01 1 
HETATM 747 O O1  . V53 C 2 5  ? 12.08111  -23.85691 21.77693 1.000 99.61930  -1 5   V53 C  O1  1 
HETATM 748 O O2  . V53 C 2 5  ? 13.66075  -25.78578 21.82451 1.000 101.87930 ?  5   V53 C  O2  1 
HETATM 749 O O3  . V53 C 2 5  ? 11.72843  -25.67619 23.39652 1.000 116.10930 -1 5   V53 C  O3  1 
HETATM 750 P P   . V53 C 2 5  ? 12.31284  -25.28290 22.10789 1.000 112.89930 ?  5   V53 C  P   1 
HETATM 751 C C   . V5F C 2 6  ? 8.54587   -29.73586 12.27241 1.000 72.05930  ?  6   V5F C  C   1 
HETATM 752 C C6  . V5F C 2 6  ? 8.26072   -31.02174 13.05979 1.000 69.13930  ?  6   V5F C  C6  1 
HETATM 753 C C2  . V5F C 2 6  ? 7.38684   -32.83904 15.04213 1.000 60.12930  ?  6   V5F C  C2  1 
HETATM 754 C C1  . V5F C 2 6  ? 8.26149   -31.79756 15.34876 1.000 65.15930  ?  6   V5F C  C1  1 
HETATM 755 C CA  . V5F C 2 6  ? 8.64615   -31.57108 16.67189 1.000 60.59930  ?  6   V5F C  CA  1 
HETATM 756 C C5  . V5F C 2 6  ? 8.28017   -32.48959 17.65137 1.000 56.41930  ?  6   V5F C  C5  1 
HETATM 757 C C4  . V5F C 2 6  ? 7.44579   -33.55701 17.33661 1.000 65.18930  ?  6   V5F C  C4  1 
HETATM 758 C C3  . V5F C 2 6  ? 7.00208   -33.73631 16.03065 1.000 71.17930  ?  6   V5F C  C3  1 
HETATM 759 C CB  . V5F C 2 6  ? 9.04941   -32.13828 12.36451 1.000 72.36930  ?  6   V5F C  CB  1 
HETATM 760 N N   . V5F C 2 6  ? 9.48808   -30.54237 16.85599 1.000 60.52930  ?  6   V5F C  N   1 
HETATM 761 O O   . V5F C 2 6  ? 8.57469   -29.75338 11.04152 1.000 73.76930  ?  6   V5F C  O   1 
HETATM 762 O O1  . V5F C 2 6  ? 8.64243   -30.83850 14.44048 1.000 71.74930  ?  6   V5F C  O1  1 
HETATM 763 C C   . V4F C 2 7  ? 7.00452   -28.23012 16.76686 1.000 67.45930  ?  7   V4F C  C   1 
HETATM 764 C CAF . V4F C 2 7  ? 9.16898   -25.26711 16.70567 1.000 65.45930  ?  7   V4F C  CAF 1 
HETATM 765 C CAD . V4F C 2 7  ? 8.33221   -26.24974 17.22194 1.000 53.98930  ?  7   V4F C  CAD 1 
HETATM 766 C CAE . V4F C 2 7  ? 7.88773   -27.24163 16.35286 1.000 64.90930  ?  7   V4F C  CAE 1 
HETATM 767 C CAL . V4F C 2 7  ? 9.56412   -25.30833 15.37885 1.000 63.22930  ?  7   V4F C  CAL 1 
HETATM 768 C CAM . V4F C 2 7  ? 9.07792   -26.31260 14.55243 1.000 65.92930  ?  7   V4F C  CAM 1 
HETATM 769 C CAJ . V4F C 2 7  ? 9.46120   -26.34883 13.21292 1.000 66.96930  ?  7   V4F C  CAJ 1 
HETATM 770 C CAK . V4F C 2 7  ? 10.32160  -25.37639 12.71889 1.000 59.60930  ?  7   V4F C  CAK 1 
HETATM 771 C CAG . V4F C 2 7  ? 10.80322  -24.37237 13.54903 1.000 68.71930  ?  7   V4F C  CAG 1 
HETATM 772 C CAI . V4F C 2 7  ? 10.42615  -24.33862 14.88536 1.000 63.16930  ?  7   V4F C  CAI 1 
HETATM 773 C C01 . V4F C 2 7  ? 9.35693   -24.29530 18.82222 1.000 77.55930  ?  7   V4F C  C01 1 
HETATM 774 C CA  . V4F C 2 7  ? 9.00491   -27.33328 12.33537 1.000 72.65930  ?  7   V4F C  CA  1 
HETATM 775 N NAH . V4F C 2 7  ? 8.21550   -27.21261 15.04871 1.000 65.73930  ?  7   V4F C  NAH 1 
HETATM 776 N N   . V4F C 2 7  ? 8.72551   -28.61898 13.00204 1.000 68.03930  ?  7   V4F C  N   1 
HETATM 777 O O   . V4F C 2 7  ? 6.81188   -28.42772 17.96874 1.000 61.71930  ?  7   V4F C  O   1 
HETATM 778 O O01 . V4F C 2 7  ? 9.71506   -24.26011 17.43989 1.000 75.53930  ?  7   V4F C  O01 1 
HETATM 779 O O3  . V4F C 2 7  ? 11.06351  -22.60613 19.56364 1.000 88.82930  -1 7   V4F C  O3  1 
HETATM 780 O O2  . V4F C 2 7  ? 9.00149   -22.86156 20.88975 1.000 104.42930 -1 7   V4F C  O2  1 
HETATM 781 O O1  . V4F C 2 7  ? 8.89005   -21.79974 18.64540 1.000 97.94930  ?  7   V4F C  O1  1 
HETATM 782 P P   . V4F C 2 7  ? 9.58597   -22.71199 19.54854 1.000 103.35930 ?  7   V4F C  P   1 
HETATM 783 C C   . V53 C 2 8  ? 4.96657   -29.07827 11.22763 1.000 65.21930  ?  8   V53 C  C   1 
HETATM 784 C CAF . V53 C 2 8  ? 3.61141   -31.77050 13.32654 1.000 71.97930  ?  8   V53 C  CAF 1 
HETATM 785 C CAD . V53 C 2 8  ? 3.89717   -30.96393 12.23044 1.000 56.89930  ?  8   V53 C  CAD 1 
HETATM 786 C CAJ . V53 C 2 8  ? 4.77349   -29.89374 12.33772 1.000 63.63930  ?  8   V53 C  CAJ 1 
HETATM 787 C CAL . V53 C 2 8  ? 4.16524   -31.41976 14.58385 1.000 66.76930  ?  8   V53 C  CAL 1 
HETATM 788 C CAM . V53 C 2 8  ? 5.02394   -30.31423 14.62863 1.000 66.08930  ?  8   V53 C  CAM 1 
HETATM 789 C CA  . V53 C 2 8  ? 5.51562   -29.83286 15.83768 1.000 64.03930  ?  8   V53 C  CA  1 
HETATM 790 C CAK . V53 C 2 8  ? 5.37083   -30.59502 16.99094 1.000 65.11930  ?  8   V53 C  CAK 1 
HETATM 791 C CAG . V53 C 2 8  ? 4.55155   -31.71054 16.98033 1.000 64.52930  ?  8   V53 C  CAG 1 
HETATM 792 C CAI . V53 C 2 8  ? 3.96843   -32.10364 15.78583 1.000 61.83930  ?  8   V53 C  CAI 1 
HETATM 793 C C01 . V53 C 2 8  ? 2.29324   -33.86098 13.99462 1.000 92.34930  ?  8   V53 C  C01 1 
HETATM 794 N NAH . V53 C 2 8  ? 5.23723   -29.55055 13.54342 1.000 64.46930  ?  8   V53 C  NAH 1 
HETATM 795 N N   . V53 C 2 8  ? 6.40491   -28.84873 15.72581 1.000 66.60930  ?  8   V53 C  N   1 
HETATM 796 O O   . V53 C 2 8  ? 4.64361   -29.45986 10.10359 1.000 66.02930  ?  8   V53 C  O   1 
HETATM 797 O O01 . V53 C 2 8  ? 2.76475   -32.84779 13.08406 1.000 84.61930  ?  8   V53 C  O01 1 
HETATM 798 O O1  . V53 C 2 8  ? 1.48442   -34.72996 11.73387 1.000 83.63930  -1 8   V53 C  O1  1 
HETATM 799 O O2  . V53 C 2 8  ? -0.02630  -34.77132 13.67397 1.000 101.86930 -1 8   V53 C  O2  1 
HETATM 800 O O3  . V53 C 2 8  ? 1.91083   -36.34683 13.59060 1.000 118.23930 ?  8   V53 C  O3  1 
HETATM 801 P P   . V53 C 2 8  ? 1.32589   -35.07051 13.15529 1.000 120.08930 ?  8   V53 C  P   1 
HETATM 802 C C   . V4F C 2 9  ? 4.78738   -25.95423 15.28349 1.000 61.24930  ?  9   V4F C  C   1 
HETATM 803 C CAF . V4F C 2 9  ? 7.06923   -23.58599 13.70603 1.000 60.94930  ?  9   V4F C  CAF 1 
HETATM 804 C CAD . V4F C 2 9  ? 6.27006   -24.19136 14.66141 1.000 58.47930  ?  9   V4F C  CAD 1 
HETATM 805 C CAE . V4F C 2 9  ? 5.60247   -25.36504 14.32029 1.000 59.81930  ?  9   V4F C  CAE 1 
HETATM 806 C CAL . V4F C 2 9  ? 7.11867   -24.10486 12.42330 1.000 55.63930  ?  9   V4F C  CAL 1 
HETATM 807 C CAM . V4F C 2 9  ? 6.39660   -25.25469 12.10867 1.000 62.03930  ?  9   V4F C  CAM 1 
HETATM 808 C CAJ . V4F C 2 9  ? 6.47759   -25.77469 10.80828 1.000 59.53930  ?  9   V4F C  CAJ 1 
HETATM 809 C CAK . V4F C 2 9  ? 7.26810   -25.13022 9.86624  1.000 52.64930  ?  9   V4F C  CAK 1 
HETATM 810 C CAG . V4F C 2 9  ? 7.98173   -23.98407 10.18710 1.000 59.24930  ?  9   V4F C  CAG 1 
HETATM 811 C CAI . V4F C 2 9  ? 7.90366   -23.46907 11.47050 1.000 59.02930  ?  9   V4F C  CAI 1 
HETATM 812 C C01 . V4F C 2 9  ? 7.67692   -21.86429 15.22051 1.000 64.02930  ?  9   V4F C  C01 1 
HETATM 813 C CA  . V4F C 2 9  ? 5.80651   -26.92692 10.38315 1.000 58.98930  ?  9   V4F C  CA  1 
HETATM 814 N NAH . V4F C 2 9  ? 5.62419   -25.82346 13.05442 1.000 57.56930  ?  9   V4F C  NAH 1 
HETATM 815 N N   . V4F C 2 9  ? 5.54530   -27.88608 11.47271 1.000 65.12930  ?  9   V4F C  N   1 
HETATM 816 O O   . V4F C 2 9  ? 4.90267   -25.58617 16.45286 1.000 54.24930  ?  9   V4F C  O   1 
HETATM 817 O O01 . V4F C 2 9  ? 7.78876   -22.44243 13.91121 1.000 71.36930  ?  9   V4F C  O01 1 
HETATM 818 O O3  . V4F C 2 9  ? 7.78899   -19.40114 14.63598 1.000 71.74930  -1 9   V4F C  O3  1 
HETATM 819 O O2  . V4F C 2 9  ? 8.91105   -20.11602 16.69616 1.000 80.85930  ?  9   V4F C  O2  1 
HETATM 820 O O1  . V4F C 2 9  ? 9.88350   -20.72941 14.48847 1.000 65.25930  -1 9   V4F C  O1  1 
HETATM 821 P P   . V4F C 2 9  ? 8.69193   -20.38392 15.27376 1.000 80.29930  ?  9   V4F C  P   1 
HETATM 822 C C   . V53 C 2 10 ? 1.30942   -29.26831 11.50433 1.000 75.83930  ?  10  V53 C  C   1 
HETATM 823 C CAF . V53 C 2 10 ? 0.38586   -29.99876 14.96389 1.000 69.06930  ?  10  V53 C  CAF 1 
HETATM 824 C CAD . V53 C 2 10 ? 0.40568   -30.06083 13.58089 1.000 56.47930  ?  10  V53 C  CAD 1 
HETATM 825 C CAJ . V53 C 2 10 ? 1.29384   -29.23755 12.89836 1.000 61.86930  ?  10  V53 C  CAJ 1 
HETATM 826 C CAL . V53 C 2 10 ? 1.30901   -29.21712 15.63732 1.000 64.62930  ?  10  V53 C  CAL 1 
HETATM 827 C CAM . V53 C 2 10 ? 2.19744   -28.43167 14.91238 1.000 60.59930  ?  10  V53 C  CAM 1 
HETATM 828 C CA  . V53 C 2 10 ? 3.03373   -27.53853 15.57815 1.000 63.74930  ?  10  V53 C  CA  1 
HETATM 829 C CAK . V53 C 2 10 ? 3.05936   -27.55925 16.97202 1.000 61.55930  ?  10  V53 C  CAK 1 
HETATM 830 C CAG . V53 C 2 10 ? 2.17462   -28.34635 17.69741 1.000 61.93930  ?  10  V53 C  CAG 1 
HETATM 831 C CAI . V53 C 2 10 ? 1.28667   -29.17393 17.02538 1.000 55.02930  ?  10  V53 C  CAI 1 
HETATM 832 C C01 . V53 C 2 10 ? -1.38804  -31.54907 15.02845 1.000 91.81930  ?  10  V53 C  C01 1 
HETATM 833 N NAH . V53 C 2 10 ? 2.15710   -28.45311 13.57002 1.000 51.49930  ?  10  V53 C  NAH 1 
HETATM 834 N N   . V53 C 2 10 ? 3.90320   -26.86515 14.80068 1.000 60.56930  ?  10  V53 C  N   1 
HETATM 835 O O   . V53 C 2 10 ? 2.03896   -28.48175 10.85841 1.000 66.80930  -1 10  V53 C  O   1 
HETATM 836 O O01 . V53 C 2 10 ? -0.42424  -30.76309 15.74410 1.000 84.30930  ?  10  V53 C  O01 1 
HETATM 837 O O1  . V53 C 2 10 ? -2.09705  -33.91456 14.98272 1.000 92.95930  ?  10  V53 C  O1  1 
HETATM 838 O O2  . V53 C 2 10 ? -3.17970  -32.24066 16.58406 1.000 95.10930  -1 10  V53 C  O2  1 
HETATM 839 O O3  . V53 C 2 10 ? -0.79390  -33.01733 16.92494 1.000 87.25930  -1 10  V53 C  O3  1 
HETATM 840 P P   . V53 C 2 10 ? -1.98121  -32.91701 16.05812 1.000 110.83930 ?  10  V53 C  P   1 
HETATM 841 O OXT . V53 C 2 10 ? 0.55155   -30.05330 10.89467 1.000 78.58930  ?  10  V53 C  OXT 1 
HETATM 842 O O   . HOH D 3 .  ? 1.05499   -16.52192 6.40774  1.000 49.95423  ?  101 HOH AA O   1 
HETATM 843 O O   . HOH D 3 .  ? 1.17255   -8.22195  2.88631  1.000 52.52522  ?  102 HOH AA O   1 
HETATM 844 O O   . HOH D 3 .  ? -2.17632  -19.58419 7.31387  1.000 42.15513  ?  103 HOH AA O   1 
HETATM 845 O O   . HOH D 3 .  ? 4.36171   -16.64864 8.38892  1.000 58.79370  ?  104 HOH AA O   1 
HETATM 846 O O   . HOH E 3 .  ? 1.18721   -34.57480 9.45376  1.000 95.74627  ?  101 HOH C  O   1 
HETATM 847 O O   . HOH E 3 .  ? 11.58018  -36.07514 17.42362 1.000 75.35225  ?  102 HOH C  O   1 
HETATM 848 O O   . HOH E 3 .  ? 12.55258  -37.79321 16.12378 1.000 83.24857  ?  103 HOH C  O   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  ? 0.75280 1.05154 0.95770 -0.19274 0.04240  0.09296  1  MET AA N   
2   C CA  . MET A 1  ? 0.83830 1.25134 1.02094 -0.20717 -0.01132 0.06380  1  MET AA CA  
3   C C   . MET A 1  ? 0.87825 1.35271 0.98215 -0.19424 0.00716  0.01850  1  MET AA C   
4   O O   . MET A 1  ? 0.87718 1.42970 0.92050 -0.17412 -0.01570 -0.03383 1  MET AA O   
5   C CB  . MET A 1  ? 1.08363 1.54450 1.25871 -0.20210 -0.03744 0.05096  1  MET AA CB  
6   C CG  . MET A 1  ? 1.15137 1.66736 1.27343 -0.17078 -0.09294 -0.00873 1  MET AA CG  
7   S SD  . MET A 1  ? 1.51421 1.98101 1.60646 -0.13210 -0.15909 -0.05191 1  MET AA SD  
8   C CE  . MET A 1  ? 1.07722 1.48295 1.27260 -0.16512 -0.19789 0.00166  1  MET AA CE  
9   N N   . VAL A 2  ? 0.90486 1.30977 0.99780 -0.18676 0.04738  0.03218  2  VAL AA N   
10  C CA  . VAL A 2  ? 0.71000 1.14565 0.72977 -0.16866 0.05993  -0.01097 2  VAL AA CA  
11  C C   . VAL A 2  ? 0.78775 1.20318 0.81120 -0.16732 0.04992  -0.02085 2  VAL AA C   
12  O O   . VAL A 2  ? 0.74431 1.07332 0.82710 -0.18283 0.05929  0.02622  2  VAL AA O   
13  C CB  . VAL A 2  ? 0.75475 1.08458 0.76756 -0.13791 0.08933  0.00551  2  VAL AA CB  
14  C CG1 . VAL A 2  ? 0.68651 1.02374 0.65562 -0.12370 0.08647  -0.02743 2  VAL AA CG1 
15  C CG2 . VAL A 2  ? 0.82307 1.18848 0.82192 -0.14403 0.07629  -0.00127 2  VAL AA CG2 
16  N N   . LYS A 3  ? 0.69920 1.13789 0.64345 -0.12758 0.01365  -0.08451 3  LYS AA N   
17  C CA  . LYS A 3  ? 0.71879 1.08264 0.63992 -0.09735 -0.02506 -0.10629 3  LYS AA CA  
18  C C   . LYS A 3  ? 0.61721 0.97452 0.48578 -0.08771 0.02229  -0.12299 3  LYS AA C   
19  O O   . LYS A 3  ? 0.73779 1.10827 0.61098 -0.06845 0.03572  -0.12707 3  LYS AA O   
20  C CB  . LYS A 3  ? 0.75122 1.11690 0.63193 -0.05350 -0.09540 -0.15536 3  LYS AA CB  
21  C CG  . LYS A 3  ? 0.91969 1.21028 0.76234 -0.01756 -0.11951 -0.17755 3  LYS AA CG  
22  C CD  . LYS A 3  ? 0.89521 1.15570 0.71959 0.01010  -0.14928 -0.18814 3  LYS AA CD  
23  C CE  . LYS A 3  ? 0.85107 1.11072 0.70193 0.00258  -0.19492 -0.18008 3  LYS AA CE  
24  N NZ  . LYS A 3  ? 1.26360 1.48219 1.10137 0.02127  -0.23143 -0.19081 3  LYS AA NZ  
25  N N   . VAL A 4  ? 0.67657 0.94267 0.57204 -0.08995 0.03519  -0.09490 4  VAL AA N   
26  C CA  . VAL A 4  ? 0.60944 0.85365 0.46021 -0.07910 0.07540  -0.10818 4  VAL AA CA  
27  C C   . VAL A 4  ? 0.72234 0.91468 0.52917 -0.03829 0.01628  -0.15171 4  VAL AA C   
28  O O   . VAL A 4  ? 0.86759 0.97979 0.71895 -0.03577 -0.02194 -0.13010 4  VAL AA O   
29  C CB  . VAL A 4  ? 0.74389 0.92235 0.65876 -0.11291 0.13754  -0.04204 4  VAL AA CB  
30  C CG1 . VAL A 4  ? 0.61201 0.75004 0.49611 -0.08623 0.15693  -0.04846 4  VAL AA CG1 
31  C CG2 . VAL A 4  ? 0.71638 0.89237 0.69191 -0.11625 0.15183  0.00755  4  VAL AA CG2 
32  N N   . LYS A 5  ? 0.70119 0.88646 0.47430 -0.00491 0.00601  -0.16934 5  LYS AA N   
33  C CA  . LYS A 5  ? 0.71048 0.83805 0.45380 0.02225  -0.03312 -0.18891 5  LYS AA CA  
34  C C   . LYS A 5  ? 0.71553 0.79031 0.43958 0.02362  0.00225  -0.17906 5  LYS AA C   
35  O O   . LYS A 5  ? 0.82187 0.90335 0.55478 0.02106  0.03498  -0.15854 5  LYS AA O   
36  C CB  . LYS A 5  ? 0.76592 0.92247 0.51598 0.03878  -0.05162 -0.19494 5  LYS AA CB  
37  C CG  . LYS A 5  ? 0.73848 0.95458 0.51429 0.03626  -0.06148 -0.19564 5  LYS AA CG  
38  C CD  . LYS A 5  ? 0.80098 1.07311 0.59399 0.06939  -0.08603 -0.22247 5  LYS AA CD  
39  C CE  . LYS A 5  ? 0.92062 1.23672 0.73242 0.06819  -0.09777 -0.22517 5  LYS AA CE  
40  N NZ  . LYS A 5  ? 0.94157 1.29743 0.76313 0.10402  -0.12180 -0.25317 5  LYS AA NZ  
41  N N   . PHE A 6  ? 0.66300 0.68755 0.37442 0.03255  -0.01403 -0.19726 6  PHE AA N   
42  C CA  . PHE A 6  ? 0.80354 0.77335 0.50060 0.03214  0.02609  -0.18642 6  PHE AA CA  
43  C C   . PHE A 6  ? 0.78784 0.71434 0.48030 0.05243  -0.01499 -0.20703 6  PHE AA C   
44  O O   . PHE A 6  ? 0.90188 0.80970 0.60248 0.07370  -0.07584 -0.22380 6  PHE AA O   
45  C CB  . PHE A 6  ? 0.60575 0.54346 0.35430 0.00477  0.07893  -0.14984 6  PHE AA CB  
46  C CG  . PHE A 6  ? 0.78661 0.64664 0.61012 -0.00530 0.03814  -0.10941 6  PHE AA CG  
47  C CD1 . PHE A 6  ? 0.72303 0.60885 0.59374 -0.02108 0.00928  -0.09058 6  PHE AA CD1 
48  C CD2 . PHE A 6  ? 0.82764 0.58880 0.67408 0.00143  0.02793  -0.09072 6  PHE AA CD2 
49  C CE1 . PHE A 6  ? 0.84967 0.66397 0.78929 -0.03010 -0.02858 -0.05364 6  PHE AA CE1 
50  C CE2 . PHE A 6  ? 0.75489 0.44437 0.67025 -0.00775 -0.00991 -0.05349 6  PHE AA CE2 
51  C CZ  . PHE A 6  ? 0.82519 0.54108 0.78745 -0.02360 -0.03818 -0.03479 6  PHE AA CZ  
52  N N   . LYS A 7  ? 0.83252 0.73887 0.52125 0.04503  0.01645  -0.19795 7  LYS AA N   
53  C CA  . LYS A 7  ? 0.90773 0.78377 0.59896 0.06695  -0.01507 -0.21004 7  LYS AA CA  
54  C C   . LYS A 7  ? 0.91525 0.70298 0.61636 0.07754  -0.00269 -0.20401 7  LYS AA C   
55  O O   . LYS A 7  ? 0.76707 0.56228 0.48952 0.06400  0.04868  -0.18642 7  LYS AA O   
56  C CB  . LYS A 7  ? 0.84111 0.75414 0.52427 0.07506  -0.00906 -0.20971 7  LYS AA CB  
57  C CG  . LYS A 7  ? 0.91419 0.83219 0.59570 0.11430  -0.06085 -0.22789 7  LYS AA CG  
58  C CD  . LYS A 7  ? 1.05221 1.00576 0.73051 0.13375  -0.05787 -0.23342 7  LYS AA CD  
59  C CE  . LYS A 7  ? 1.15417 1.10206 0.83097 0.17394  -0.10301 -0.25038 7  LYS AA CE  
60  N NZ  . LYS A 7  ? 1.09457 1.10057 0.77760 0.19996  -0.11023 -0.26309 7  LYS AA NZ  
61  N N   . TYR A 8  ? 0.84244 0.54053 0.54637 0.09941  -0.05497 -0.20512 8  TYR AA N   
62  C CA  . TYR A 8  ? 0.96075 0.54515 0.69935 0.09373  -0.04124 -0.17079 8  TYR AA CA  
63  C C   . TYR A 8  ? 1.08557 0.66732 0.82343 0.11129  -0.07171 -0.17830 8  TYR AA C   
64  O O   . TYR A 8  ? 1.03487 0.60921 0.76895 0.13021  -0.13285 -0.19048 8  TYR AA O   
65  C CB  . TYR A 8  ? 1.00785 0.51741 0.81712 0.07336  -0.06243 -0.12471 8  TYR AA CB  
66  C CG  . TYR A 8  ? 0.96996 0.44520 0.86601 0.05378  -0.03991 -0.06905 8  TYR AA CG  
67  C CD1 . TYR A 8  ? 0.86889 0.37503 0.83963 0.02557  0.00692  -0.02219 8  TYR AA CD1 
68  C CD2 . TYR A 8  ? 1.08313 0.54372 0.99490 0.06537  -0.08227 -0.06829 8  TYR AA CD2 
69  C CE1 . TYR A 8  ? 0.92471 0.45797 0.95427 0.01328  -0.02139 0.01226  8  TYR AA CE1 
70  C CE2 . TYR A 8  ? 1.03083 0.48659 1.00225 0.05055  -0.04397 -0.02755 8  TYR AA CE2 
71  C CZ  . TYR A 8  ? 1.14284 0.64731 1.17340 0.02765  0.03052  0.00997  8  TYR AA CZ  
72  O OH  . TYR A 8  ? 1.18292 0.62895 1.14406 0.02429  0.04113  0.03238  8  TYR AA OH  
73  N N   . LYS A 9  ? 1.00173 0.59403 0.74719 0.10450  -0.03066 -0.16934 9  LYS AA N   
74  C CA  . LYS A 9  ? 1.06609 0.65227 0.80729 0.11693  -0.05063 -0.17356 9  LYS AA CA  
75  C C   . LYS A 9  ? 1.14001 0.78428 0.84225 0.13927  -0.09461 -0.20222 9  LYS AA C   
76  O O   . LYS A 9  ? 1.19593 0.81863 0.89179 0.16001  -0.13881 -0.20661 9  LYS AA O   
77  C CB  . LYS A 9  ? 1.12128 0.63438 0.91125 0.11288  -0.07026 -0.14386 9  LYS AA CB  
78  N N   . GLY A 10 ? 1.04506 0.76668 0.73515 0.13316  -0.08078 -0.21402 10 GLY AA N   
79  C CA  . GLY A 10 ? 1.09897 0.86982 0.77024 0.16531  -0.12256 -0.23170 10 GLY AA CA  
80  C C   . GLY A 10 ? 0.98665 0.76824 0.66740 0.17944  -0.16684 -0.24215 10 GLY AA C   
81  O O   . GLY A 10 ? 1.17068 0.98803 0.85045 0.21289  -0.19989 -0.25839 10 GLY AA O   
82  N N   . GLU A 11 ? 0.87056 0.64221 1.09323 -0.07943 0.02308  -0.14426 11 GLU AA N   
83  C CA  . GLU A 11 ? 0.79565 0.53869 0.95787 -0.07771 0.01086  -0.15918 11 GLU AA CA  
84  C C   . GLU A 11 ? 0.83481 0.60104 0.97885 -0.05347 0.02293  -0.15357 11 GLU AA C   
85  O O   . GLU A 11 ? 0.77945 0.60196 0.95265 -0.05369 0.01987  -0.13913 11 GLU AA O   
86  C CB  . GLU A 11 ? 0.82344 0.58111 0.97612 -0.10818 -0.02486 -0.16445 11 GLU AA CB  
87  C CG  . GLU A 11 ? 1.04960 0.79178 1.14360 -0.10636 -0.03893 -0.17688 11 GLU AA CG  
88  C CD  . GLU A 11 ? 1.08536 0.85362 1.17513 -0.13528 -0.07387 -0.17890 11 GLU AA CD  
89  O OE1 . GLU A 11 ? 1.23166 1.02878 1.36398 -0.15698 -0.08730 -0.17092 11 GLU AA OE1 
90  O OE2 . GLU A 11 ? 1.26290 1.02308 1.30683 -0.13641 -0.08793 -0.18838 11 GLU AA OE2 
91  N N   . GLU A 12 ? 0.94086 0.66392 1.03756 -0.03249 0.03698  -0.16480 12 GLU AA N   
92  C CA  . GLU A 12 ? 0.91296 0.65416 0.98787 -0.00916 0.04804  -0.16071 12 GLU AA CA  
93  C C   . GLU A 12 ? 0.94986 0.72017 1.00126 -0.02327 0.02040  -0.16247 12 GLU AA C   
94  O O   . GLU A 12 ? 1.01058 0.75693 1.03018 -0.04195 -0.00238 -0.17581 12 GLU AA O   
95  C CB  . GLU A 12 ? 0.91418 0.59979 0.94216 0.01568  0.06874  -0.17321 12 GLU AA CB  
96  C CG  . GLU A 12 ? 0.97112 0.63998 1.02286 0.03880  0.10226  -0.16725 12 GLU AA CG  
97  C CD  . GLU A 12 ? 1.15172 0.87374 1.24417 0.05513  0.11934  -0.14797 12 GLU AA CD  
98  O OE1 . GLU A 12 ? 0.98766 0.75458 1.08054 0.05435  0.10866  -0.14043 12 GLU AA OE1 
99  O OE2 . GLU A 12 ? 0.99645 0.71520 1.12071 0.06891  0.14382  -0.14032 12 GLU AA OE2 
100 N N   . LYS A 13 ? 0.80140 0.62405 0.86934 -0.01448 0.02250  -0.14877 13 LYS AA N   
101 C CA  . LYS A 13 ? 0.85082 0.70902 0.90269 -0.02638 -0.00200 -0.14747 13 LYS AA CA  
102 C C   . LYS A 13 ? 0.84007 0.72269 0.87988 -0.00038 0.01334  -0.13979 13 LYS AA C   
103 O O   . LYS A 13 ? 0.76818 0.65020 0.82298 0.02415  0.04163  -0.13258 13 LYS AA O   
104 C CB  . LYS A 13 ? 0.79282 0.70570 0.89296 -0.05118 -0.02206 -0.13488 13 LYS AA CB  
105 C CG  . LYS A 13 ? 0.76597 0.66218 0.88493 -0.07804 -0.03783 -0.14014 13 LYS AA CG  
106 C CD  . LYS A 13 ? 0.73689 0.67667 0.87234 -0.10649 -0.06936 -0.13535 13 LYS AA CD  
107 C CE  . LYS A 13 ? 0.79653 0.71606 0.94365 -0.13436 -0.08778 -0.14254 13 LYS AA CE  
108 N NZ  . LYS A 13 ? 0.87945 0.85339 1.07538 -0.15730 -0.10586 -0.12947 13 LYS AA NZ  
109 N N   . GLU A 14 ? 0.84533 0.75207 0.85998 -0.00647 -0.00595 -0.14061 14 GLU AA N   
110 C CA  . GLU A 14 ? 0.84670 0.77691 0.84625 0.01679  0.00595  -0.13395 14 GLU AA CA  
111 C C   . GLU A 14 ? 0.83966 0.82128 0.84121 0.00165  -0.01919 -0.12711 14 GLU AA C   
112 O O   . GLU A 14 ? 0.92701 0.90237 0.90650 -0.02130 -0.04654 -0.13627 14 GLU AA O   
113 C CB  . GLU A 14 ? 0.89529 0.77357 0.83450 0.03543  0.01583  -0.14919 14 GLU AA CB  
114 C CG  . GLU A 14 ? 0.95964 0.86082 0.87051 0.05087  0.01627  -0.14613 14 GLU AA CG  
115 C CD  . GLU A 14 ? 1.29332 1.18593 1.15700 0.03513  -0.01143 -0.15824 14 GLU AA CD  
116 O OE1 . GLU A 14 ? 1.26712 1.11058 1.09716 0.02475  -0.02073 -0.17501 14 GLU AA OE1 
117 O OE2 . GLU A 14 ? 1.24219 1.17741 1.10254 0.03325  -0.02371 -0.15092 14 GLU AA OE2 
118 N N   . VAL A 15 ? 0.80126 0.83371 0.82998 0.01425  -0.00988 -0.11094 15 VAL AA N   
119 C CA  . VAL A 15 ? 0.80180 0.88601 0.83377 0.00266  -0.03135 -0.10297 15 VAL AA CA  
120 C C   . VAL A 15 ? 0.76364 0.87363 0.78762 0.02941  -0.01445 -0.09385 15 VAL AA C   
121 O O   . VAL A 15 ? 0.73951 0.85606 0.78778 0.05163  0.01287  -0.08469 15 VAL AA O   
122 C CB  . VAL A 15 ? 0.71954 0.85385 0.80942 -0.01936 -0.04460 -0.08938 15 VAL AA CB  
123 C CG1 . VAL A 15 ? 0.60846 0.77498 0.75075 -0.00313 -0.01926 -0.07257 15 VAL AA CG1 
124 C CG2 . VAL A 15 ? 0.71702 0.89741 0.80389 -0.03593 -0.07157 -0.08426 15 VAL AA CG2 
125 N N   . ASP A 16 ? 0.86044 0.98403 0.84942 0.02733  -0.03067 -0.09663 16 ASP AA N   
126 C CA  . ASP A 16 ? 0.79437 0.94490 0.77364 0.05080  -0.01774 -0.08801 16 ASP AA CA  
127 C C   . ASP A 16 ? 0.64827 0.86507 0.68278 0.05038  -0.01526 -0.06742 16 ASP AA C   
128 O O   . ASP A 16 ? 0.63368 0.88149 0.70474 0.02715  -0.03222 -0.06094 16 ASP AA O   
129 C CB  . ASP A 16 ? 0.94131 1.08931 0.86858 0.04603  -0.03812 -0.09671 16 ASP AA CB  
130 C CG  . ASP A 16 ? 1.02391 1.18929 0.93211 0.07260  -0.02314 -0.09045 16 ASP AA CG  
131 O OD1 . ASP A 16 ? 0.96754 1.09110 0.83206 0.09146  -0.00987 -0.10107 16 ASP AA OD1 
132 O OD2 . ASP A 16 ? 1.06237 1.28343 0.99942 0.07453  -0.02469 -0.07488 16 ASP AA OD2 
133 N N   . THR A 17 ? 0.84634 1.08478 0.88711 0.07660  0.00651  -0.05708 17 THR AA N   
134 C CA  . THR A 17 ? 0.62869 0.92986 0.72079 0.07896  0.01131  -0.03740 17 THR AA CA  
135 C C   . THR A 17 ? 0.71857 1.06660 0.81559 0.05682  -0.01841 -0.03179 17 THR AA C   
136 O O   . THR A 17 ? 0.59656 0.99142 0.74210 0.04343  -0.02563 -0.01883 17 THR AA O   
137 C CB  . THR A 17 ? 0.70078 1.01340 0.79002 0.11164  0.03838  -0.02905 17 THR AA CB  
138 O OG1 . THR A 17 ? 0.55317 0.84180 0.66297 0.12990  0.06768  -0.02749 17 THR AA OG1 
139 C CG2 . THR A 17 ? 0.80490 1.18564 0.93111 0.11228  0.03574  -0.01064 17 THR AA CG2 
140 N N   . SER A 18 ? 0.67225 1.00817 0.71925 0.05236  -0.03609 -0.04156 18 SER AA N   
141 C CA  . SER A 18 ? 0.66201 1.04178 0.70956 0.03291  -0.06397 -0.03639 18 SER AA CA  
142 C C   . SER A 18 ? 0.57346 0.96250 0.64522 -0.00010 -0.08926 -0.03790 18 SER AA C   
143 O O   . SER A 18 ? 0.76343 1.20121 0.85875 -0.01687 -0.10835 -0.02821 18 SER AA O   
144 C CB  . SER A 18 ? 0.65892 1.01749 0.64436 0.03495  -0.07711 -0.04825 18 SER AA CB  
145 O OG  . SER A 18 ? 0.81240 1.11543 0.76024 0.02284  -0.08790 -0.06702 18 SER AA OG  
146 N N   . LYS A 19 ? 0.66660 1.00971 0.73291 -0.00993 -0.09000 -0.04986 19 LYS AA N   
147 C CA  . LYS A 19 ? 0.65708 1.00609 0.74538 -0.04133 -0.11385 -0.05193 19 LYS AA CA  
148 C C   . LYS A 19 ? 0.50739 0.89462 0.66208 -0.04712 -0.10632 -0.03670 19 LYS AA C   
149 O O   . LYS A 19 ? 0.47970 0.88948 0.66091 -0.07343 -0.12761 -0.03381 19 LYS AA O   
150 C CB  . LYS A 19 ? 0.78926 1.07459 0.84718 -0.05014 -0.11773 -0.07048 19 LYS AA CB  
151 C CG  . LYS A 19 ? 1.03006 1.26882 1.02194 -0.03897 -0.11783 -0.08660 19 LYS AA CG  
152 C CD  . LYS A 19 ? 1.27378 1.45457 1.23593 -0.05385 -0.12837 -0.10532 19 LYS AA CD  
153 C CE  . LYS A 19 ? 1.08117 1.20502 1.01740 -0.03075 -0.10208 -0.11574 19 LYS AA CE  
154 N NZ  . LYS A 19 ? 1.13672 1.21952 1.00776 -0.02326 -0.10619 -0.13176 19 LYS AA NZ  
155 N N   . ILE A 20 ? 0.79719 0.72501 0.81575 -0.03308 0.04096  -0.04936 20 ILE AA N   
156 C CA  . ILE A 20 ? 0.81836 0.75776 0.82716 -0.00803 0.04029  -0.03792 20 ILE AA CA  
157 C C   . ILE A 20 ? 0.81860 0.76496 0.78451 0.02522  0.03528  -0.01768 20 ILE AA C   
158 O O   . ILE A 20 ? 1.00301 0.92040 0.91644 0.02840  0.03310  -0.02338 20 ILE AA O   
159 C CB  . ILE A 20 ? 0.85071 0.74743 0.82284 -0.01778 0.04333  -0.06252 20 ILE AA CB  
160 C CG1 . ILE A 20 ? 0.86421 0.75680 0.88280 -0.05000 0.04887  -0.08102 20 ILE AA CG1 
161 C CG2 . ILE A 20 ? 0.73613 0.64212 0.69209 0.00818  0.04219  -0.05136 20 ILE AA CG2 
162 C CD1 . ILE A 20 ? 0.89039 0.74028 0.87518 -0.06289 0.05198  -0.10645 20 ILE AA CD1 
163 N N   . LYS A 21 ? 0.83681 0.82162 0.82476 0.05060  0.03378  0.00645  21 LYS AA N   
164 C CA  . LYS A 21 ? 0.90602 0.90081 0.85691 0.08448  0.02979  0.02778  21 LYS AA CA  
165 C C   . LYS A 21 ? 0.88307 0.86041 0.79048 0.10462  0.03014  0.02655  21 LYS AA C   
166 O O   . LYS A 21 ? 1.11250 1.05439 0.95346 0.11624  0.02910  0.02007  21 LYS AA O   
167 C CB  . LYS A 21 ? 0.82559 0.87812 0.83085 0.10074  0.02768  0.05843  21 LYS AA CB  
168 C CG  . LYS A 21 ? 0.90784 0.98668 0.97833 0.07660  0.02879  0.05922  21 LYS AA CG  
169 C CD  . LYS A 21 ? 1.02999 1.15954 1.13877 0.09457  0.02563  0.08985  21 LYS AA CD  
170 C CE  . LYS A 21 ? 1.02728 1.19670 1.17272 0.11511  0.02633  0.11042  21 LYS AA CE  
171 N NZ  . LYS A 21 ? 0.77061 0.99075 0.98890 0.11146  0.02638  0.12959  21 LYS AA NZ  
172 N N   . LYS A 22 ? 0.83052 0.83159 0.77261 0.10948  0.03169  0.03289  22 LYS AA N   
173 C CA  . LYS A 22 ? 0.82860 0.81840 0.73409 0.12936  0.03169  0.03407  22 LYS AA CA  
174 C C   . LYS A 22 ? 0.76582 0.72831 0.67040 0.10745  0.03493  0.00915  22 LYS AA C   
175 O O   . LYS A 22 ? 0.71345 0.69107 0.67314 0.08525  0.03757  0.00270  22 LYS AA O   
176 C CB  . LYS A 22 ? 0.88404 0.92360 0.82690 0.15449  0.03053  0.06243  22 LYS AA CB  
177 C CG  . LYS A 22 ? 0.84608 0.92538 0.81787 0.16887  0.02802  0.08829  22 LYS AA CG  
178 C CD  . LYS A 22 ? 0.98091 1.04265 0.89090 0.19216  0.02537  0.09660  22 LYS AA CD  
179 C CE  . LYS A 22 ? 1.03237 1.13430 0.95147 0.22641  0.02344  0.12825  22 LYS AA CE  
180 N NZ  . LYS A 22 ? 0.91783 0.99621 0.76708 0.25262  0.02212  0.13445  22 LYS AA NZ  
181 N N   . VAL A 23 ? 0.83164 0.75405 0.67377 0.11384  0.03498  -0.00442 23 VAL AA N   
182 C CA  . VAL A 23 ? 0.79032 0.68492 0.62454 0.09535  0.03761  -0.02756 23 VAL AA CA  
183 C C   . VAL A 23 ? 0.77762 0.66648 0.57413 0.11872  0.03647  -0.02206 23 VAL AA C   
184 O O   . VAL A 23 ? 1.01941 0.89362 0.76133 0.14226  0.03462  -0.01460 23 VAL AA O   
185 C CB  . VAL A 23 ? 0.82947 0.67075 0.62099 0.07158  0.03928  -0.05664 23 VAL AA CB  
186 C CG1 . VAL A 23 ? 1.09259 0.89558 0.80424 0.08905  0.03758  -0.06026 23 VAL AA CG1 
187 C CG2 . VAL A 23 ? 0.91292 0.73212 0.71157 0.04796  0.04245  -0.07983 23 VAL AA CG2 
188 N N   . TRP A 24 ? 0.75905 0.66151 0.58630 0.11295  0.03771  -0.02433 24 TRP AA N   
189 C CA  . TRP A 24 ? 0.86873 0.77039 0.66879 0.13249  0.03655  -0.01895 24 TRP AA CA  
190 C C   . TRP A 24 ? 0.80386 0.68043 0.60122 0.11044  0.03852  -0.04240 24 TRP AA C   
191 O O   . TRP A 24 ? 0.68708 0.56596 0.52775 0.08323  0.04116  -0.05505 24 TRP AA O   
192 C CB  . TRP A 24 ? 0.66075 0.61770 0.51087 0.15270  0.03534  0.00913  24 TRP AA CB  
193 C CG  . TRP A 24 ? 0.79700 0.78424 0.65483 0.17635  0.03338  0.03495  24 TRP AA CG  
194 C CD1 . TRP A 24 ? 0.88680 0.86677 0.69320 0.20510  0.03145  0.04785  24 TRP AA CD1 
195 C CD2 . TRP A 24 ? 0.92268 0.95350 0.84460 0.17365  0.03341  0.05193  24 TRP AA CD2 
196 N NE1 . TRP A 24 ? 0.88085 0.89798 0.71582 0.22067  0.03009  0.07219  24 TRP AA NE1 
197 C CE2 . TRP A 24 ? 0.88834 0.93726 0.79414 0.20150  0.03103  0.07502  24 TRP AA CE2 
198 C CE3 . TRP A 24 ? 0.77015 0.82599 0.76134 0.15026  0.03557  0.04992  24 TRP AA CE3 
199 C CZ2 . TRP A 24 ? 0.84870 0.94026 0.80529 0.20618  0.03021  0.09595  24 TRP AA CZ2 
200 C CZ3 . TRP A 24 ? 0.75503 0.85201 0.79573 0.15479  0.03500  0.07024  24 TRP AA CZ3 
201 C CH2 . TRP A 24 ? 0.87590 0.99077 0.89927 0.18232  0.03207  0.09300  24 TRP AA CH2 
202 N N   . ARG A 25 ? 0.87072 0.72425 0.61778 0.12258  0.03741  -0.04742 25 ARG AA N   
203 C CA  . ARG A 25 ? 0.72813 0.56029 0.46903 0.10529  0.03856  -0.06714 25 ARG AA CA  
204 C C   . ARG A 25 ? 0.78358 0.65319 0.55566 0.11951  0.03718  -0.05048 25 ARG AA C   
205 O O   . ARG A 25 ? 0.95508 0.83256 0.69732 0.14728  0.03486  -0.03486 25 ARG AA O   
206 C CB  . ARG A 25 ? 0.88082 0.65699 0.53984 0.10653  0.03823  -0.08663 25 ARG AA CB  
207 C CG  . ARG A 25 ? 0.97966 0.73139 0.62675 0.08910  0.03901  -0.10733 25 ARG AA CG  
208 C CD  . ARG A 25 ? 1.02839 0.75385 0.64156 0.07662  0.03539  -0.11648 25 ARG AA CD  
209 N NE  . ARG A 25 ? 1.33582 1.05963 0.98171 0.04421  0.03525  -0.13250 25 ARG AA NE  
210 C CZ  . ARG A 25 ? 1.27331 0.99561 0.92035 0.03475  0.03292  -0.13371 25 ARG AA CZ  
211 N NH1 . ARG A 25 ? 1.04472 0.75973 0.66059 0.05003  0.03144  -0.12188 25 ARG AA NH1 
212 N NH2 . ARG A 25 ? 1.35997 1.09049 1.04248 0.01293  0.03110  -0.14516 25 ARG AA NH2 
213 N N   . VAL A 26 ? 0.86359 0.75671 0.69602 0.10086  0.03891  -0.05319 26 VAL AA N   
214 C CA  . VAL A 26 ? 0.79019 0.72173 0.66064 0.11096  0.03787  -0.03783 26 VAL AA CA  
215 C C   . VAL A 26 ? 0.72348 0.63581 0.59684 0.08808  0.03913  -0.05880 26 VAL AA C   
216 O O   . VAL A 26 ? 0.67884 0.59957 0.60273 0.06319  0.04229  -0.06787 26 VAL AA O   
217 C CB  . VAL A 26 ? 0.75496 0.74156 0.70534 0.11201  0.03907  -0.01673 26 VAL AA CB  
218 C CG1 . VAL A 26 ? 0.64994 0.67616 0.63566 0.12502  0.03788  0.00053  26 VAL AA CG1 
219 C CG2 . VAL A 26 ? 0.71408 0.71735 0.66262 0.13090  0.03790  0.00201  26 VAL AA CG2 
220 N N   . GLY A 27 ? 0.72977 0.61608 0.54909 0.09611  0.03690  -0.06648 27 GLY AA N   
221 C CA  . GLY A 27 ? 0.72770 0.59521 0.54582 0.07520  0.03755  -0.08599 27 GLY AA CA  
222 C C   . GLY A 27 ? 0.82911 0.65579 0.63489 0.04568  0.04072  -0.11335 27 GLY AA C   
223 O O   . GLY A 27 ? 0.78751 0.57340 0.53657 0.04578  0.04073  -0.12586 27 GLY AA O   
224 N N   . LYS A 28 ? 0.79722 0.63450 0.65663 0.02014  0.04386  -0.12267 28 LYS AA N   
225 C CA  . LYS A 28 ? 0.77072 0.57262 0.62642 -0.00953 0.04763  -0.14813 28 LYS AA CA  
226 C C   . LYS A 28 ? 0.80239 0.61277 0.68930 -0.01764 0.05054  -0.14553 28 LYS AA C   
227 O O   . LYS A 28 ? 0.82297 0.60556 0.70973 -0.04248 0.05405  -0.16581 28 LYS AA O   
228 C CB  . LYS A 28 ? 0.70635 0.51483 0.60599 -0.03400 0.05041  -0.15959 28 LYS AA CB  
229 C CG  . LYS A 28 ? 0.76594 0.56001 0.63277 -0.03218 0.04755  -0.16695 28 LYS AA CG  
230 C CD  . LYS A 28 ? 1.04740 0.87496 0.97722 -0.04427 0.04902  -0.16293 28 LYS AA CD  
231 C CE  . LYS A 28 ? 0.87940 0.76412 0.87970 -0.03314 0.05000  -0.13684 28 LYS AA CE  
232 N NZ  . LYS A 28 ? 0.87085 0.79256 0.91079 -0.02846 0.04861  -0.12403 28 LYS AA NZ  
233 N N   . MET A 29 ? 0.70597 0.55333 0.61862 0.00217  0.04918  -0.12138 29 MET AA N   
234 C CA  . MET A 29 ? 0.69999 0.56511 0.65632 -0.00687 0.05187  -0.11611 29 MET AA CA  
235 C C   . MET A 29 ? 0.68754 0.54420 0.60529 0.01089  0.04945  -0.10741 29 MET AA C   
236 O O   . MET A 29 ? 0.77719 0.62775 0.64688 0.03606  0.04585  -0.09786 29 MET AA O   
237 C CB  . MET A 29 ? 0.57012 0.49257 0.60508 -0.00276 0.05310  -0.09407 29 MET AA CB  
238 C CG  . MET A 29 ? 0.65623 0.59227 0.73230 -0.01726 0.05543  -0.09914 29 MET AA CG  
239 S SD  . MET A 29 ? 0.71674 0.64380 0.84334 -0.05547 0.06254  -0.11882 29 MET AA SD  
240 C CE  . MET A 29 ? 0.59840 0.52427 0.74497 -0.07114 0.06453  -0.13035 29 MET AA CE  
241 N N   . VAL A 30 ? 0.63078 0.48761 0.57145 -0.00307 0.05175  -0.11063 30 VAL AA N   
242 C CA  . VAL A 30 ? 0.71512 0.57098 0.63404 0.00983  0.04983  -0.10098 30 VAL AA CA  
243 C C   . VAL A 30 ? 0.55925 0.46678 0.54863 0.01286  0.05056  -0.07918 30 VAL AA C   
244 O O   . VAL A 30 ? 0.59255 0.50961 0.63250 -0.01069 0.05439  -0.08578 30 VAL AA O   
245 C CB  . VAL A 30 ? 0.78248 0.59313 0.66686 -0.01105 0.05167  -0.12428 30 VAL AA CB  
246 C CG1 . VAL A 30 ? 0.73117 0.54364 0.59575 0.00214  0.04941  -0.11308 30 VAL AA CG1 
247 C CG2 . VAL A 30 ? 0.68566 0.44493 0.50250 -0.01533 0.05140  -0.14647 30 VAL AA CG2 
248 N N   . SER A 31 ? 0.49024 0.43099 0.48355 0.04168  0.04727  -0.05320 31 SER AA N   
249 C CA  . SER A 31 ? 0.55911 0.55038 0.61528 0.04838  0.04745  -0.02987 31 SER AA CA  
250 C C   . SER A 31 ? 0.64956 0.63877 0.68577 0.05717  0.04536  -0.02176 31 SER AA C   
251 O O   . SER A 31 ? 0.59343 0.55666 0.56690 0.07307  0.04260  -0.02252 31 SER AA O   
252 C CB  . SER A 31 ? 0.57854 0.61090 0.65531 0.07495  0.04527  -0.00488 31 SER AA CB  
253 O OG  . SER A 31 ? 0.66702 0.74840 0.80450 0.08184  0.04557  0.01817  31 SER AA OG  
254 N N   . PHE A 32 ? 0.56630 0.58229 0.65503 0.04656  0.04680  -0.01400 32 PHE AA N   
255 C CA  . PHE A 32 ? 0.63957 0.64993 0.70799 0.05067  0.04467  -0.00925 32 PHE AA CA  
256 C C   . PHE A 32 ? 0.68112 0.73950 0.81384 0.05180  0.04476  0.01176  32 PHE AA C   
257 O O   . PHE A 32 ? 0.59813 0.68848 0.79426 0.04260  0.04766  0.01774  32 PHE AA O   
258 C CB  . PHE A 32 ? 0.64046 0.60425 0.67901 0.02390  0.04656  -0.03673 32 PHE AA CB  
259 C CG  . PHE A 32 ? 0.49630 0.46120 0.58683 -0.00845 0.05156  -0.05187 32 PHE AA CG  
260 C CD1 . PHE A 32 ? 0.61524 0.60726 0.75972 -0.02083 0.05314  -0.04437 32 PHE AA CD1 
261 C CD2 . PHE A 32 ? 0.54139 0.48072 0.62769 -0.02650 0.05497  -0.07316 32 PHE AA CD2 
262 C CE1 . PHE A 32 ? 0.49479 0.48715 0.68731 -0.05037 0.05858  -0.05813 32 PHE AA CE1 
263 C CE2 . PHE A 32 ? 0.48474 0.42507 0.61965 -0.05581 0.06033  -0.08661 32 PHE AA CE2 
264 C CZ  . PHE A 32 ? 0.55389 0.52034 0.74182 -0.06758 0.06241  -0.07913 32 PHE AA CZ  
265 N N   . THR A 33 ? 0.70891 0.77105 0.82329 0.06294  0.04165  0.02277  33 THR AA N   
266 C CA  . THR A 33 ? 0.57211 0.67279 0.73797 0.06148  0.04114  0.04017  33 THR AA CA  
267 C C   . THR A 33 ? 0.65460 0.72920 0.80386 0.04135  0.04099  0.02578  33 THR AA C   
268 O O   . THR A 33 ? 0.67896 0.71114 0.76653 0.04020  0.03969  0.01065  33 THR AA O   
269 C CB  . THR A 33 ? 0.66612 0.80132 0.82872 0.09519  0.03698  0.07036  33 THR AA CB  
270 O OG1 . THR A 33 ? 0.82125 0.93469 0.93124 0.10440  0.03361  0.07085  33 THR AA OG1 
271 C CG2 . THR A 33 ? 0.74818 0.88828 0.88915 0.11975  0.03612  0.07935  33 THR AA CG2 
272 N N   . TYR A 34 ? 0.71651 0.81681 0.92123 0.02534  0.04243  0.03077  34 TYR AA N   
273 C CA  . TYR A 34 ? 0.75039 0.83213 0.94721 0.00541  0.04211  0.01946  34 TYR AA CA  
274 C C   . TYR A 34 ? 0.73088 0.85773 0.97826 0.00870  0.04038  0.04194  34 TYR AA C   
275 O O   . TYR A 34 ? 0.67382 0.84456 0.96660 0.02310  0.04035  0.06382  34 TYR AA O   
276 C CB  . TYR A 34 ? 0.67320 0.72600 0.88487 -0.03035 0.04751  -0.00872 34 TYR AA CB  
277 C CG  . TYR A 34 ? 0.59893 0.68376 0.88548 -0.04484 0.05249  -0.00528 34 TYR AA CG  
278 C CD1 . TYR A 34 ? 0.56264 0.65376 0.86664 -0.04201 0.05545  -0.00681 34 TYR AA CD1 
279 C CD2 . TYR A 34 ? 0.60233 0.71150 0.94215 -0.06122 0.05434  -0.00001 34 TYR AA CD2 
280 C CE1 . TYR A 34 ? 0.61356 0.73435 0.98642 -0.05457 0.06040  -0.00288 34 TYR AA CE1 
281 C CE2 . TYR A 34 ? 0.58087 0.71859 0.98908 -0.07406 0.05961  0.00346  34 TYR AA CE2 
282 C CZ  . TYR A 34 ? 0.66432 0.80792 1.08915 -0.07035 0.06277  0.00223  34 TYR AA CZ  
283 O OH  . TYR A 34 ? 0.68673 0.83666 1.12296 -0.07193 0.06051  0.00542  34 TYR AA OH  
284 N N   . ASP A 35 ? 0.78525 0.90071 1.02506 -0.00591 0.03899  0.03593  35 ASP AA N   
285 C CA  . ASP A 35 ? 0.85996 1.01334 1.14092 -0.00541 0.03670  0.05518  35 ASP AA CA  
286 C C   . ASP A 35 ? 0.95610 1.10985 1.28694 -0.04024 0.04146  0.04080  35 ASP AA C   
287 O O   . ASP A 35 ? 0.99207 1.11511 1.30260 -0.06226 0.04187  0.02219  35 ASP AA O   
288 C CB  . ASP A 35 ? 0.96407 1.10489 1.19563 0.00563  0.03105  0.06061  35 ASP AA CB  
289 C CG  . ASP A 35 ? 1.06314 1.24704 1.33098 0.01320  0.02739  0.08525  35 ASP AA CG  
290 O OD1 . ASP A 35 ? 1.04611 1.23120 1.33819 -0.01042 0.02769  0.07882  35 ASP AA OD1 
291 O OD2 . ASP A 35 ? 1.09207 1.30788 1.36280 0.04260  0.02424  0.11091  35 ASP AA OD2 
292 N N   . ASP A 36 ? 0.92189 1.10953 1.31773 -0.04537 0.04552  0.04916  36 ASP AA N   
293 C CA  . ASP A 36 ? 1.05217 1.24421 1.49951 -0.07700 0.05055  0.03852  36 ASP AA CA  
294 C C   . ASP A 36 ? 1.16893 1.38808 1.62862 -0.07152 0.04523  0.05654  36 ASP AA C   
295 O O   . ASP A 36 ? 1.02815 1.27299 1.49836 -0.05469 0.04171  0.07375  36 ASP AA O   
296 C CB  . ASP A 36 ? 0.99911 1.18586 1.44658 -0.07674 0.05092  0.03286  36 ASP AA CB  
297 C CG  . ASP A 36 ? 1.15173 1.37328 1.61698 -0.05113 0.04834  0.05620  36 ASP AA CG  
298 O OD1 . ASP A 36 ? 1.15415 1.40447 1.62630 -0.03049 0.04531  0.07802  36 ASP AA OD1 
299 O OD2 . ASP A 36 ? 1.05738 1.27447 1.52171 -0.05017 0.04853  0.05304  36 ASP AA OD2 
300 N N   . ASN A 37 ? 1.50897 1.36256 1.42260 0.12044  -0.09461 0.05940  37 ASN AA N   
301 C CA  . ASN A 37 ? 1.51400 1.37476 1.43070 0.12162  -0.10296 0.05635  37 ASN AA CA  
302 C C   . ASN A 37 ? 1.53280 1.39864 1.46366 0.10672  -0.09853 0.05008  37 ASN AA C   
303 O O   . ASN A 37 ? 1.53223 1.40103 1.47756 0.10306  -0.08626 0.05121  37 ASN AA O   
304 C CB  . ASN A 37 ? 1.48899 1.34263 1.38564 0.12274  -0.11659 0.05451  37 ASN AA CB  
305 C CG  . ASN A 37 ? 1.66108 1.52161 1.55529 0.13526  -0.12453 0.05667  37 ASN AA CG  
306 O OD1 . ASN A 37 ? 1.63917 1.50259 1.53561 0.14975  -0.12210 0.06314  37 ASN AA OD1 
307 N ND2 . ASN A 37 ? 1.65692 1.52018 1.54583 0.12941  -0.13369 0.05086  37 ASN AA ND2 
308 N N   . GLY A 38 ? 1.55317 1.41859 1.47942 0.09684  -0.10706 0.04310  38 GLY AA N   
309 C CA  . GLY A 38 ? 1.49403 1.36426 1.43430 0.08301  -0.10283 0.03685  38 GLY AA CA  
310 C C   . GLY A 38 ? 1.55998 1.42212 1.50323 0.06925  -0.09400 0.03479  38 GLY AA C   
311 O O   . GLY A 38 ? 1.51526 1.38178 1.47489 0.06102  -0.08487 0.03294  38 GLY AA O   
312 N N   . LYS A 39 ? 1.58313 1.43400 1.51050 0.06663  -0.09632 0.03524  39 LYS AA N   
313 C CA  . LYS A 39 ? 1.49777 1.34254 1.42694 0.05242  -0.08910 0.03244  39 LYS AA CA  
314 C C   . LYS A 39 ? 1.41631 1.26385 1.35449 0.05574  -0.07629 0.03823  39 LYS AA C   
315 O O   . LYS A 39 ? 1.43310 1.28446 1.37258 0.06980  -0.07368 0.04444  39 LYS AA O   
316 C CB  . LYS A 39 ? 1.47929 1.31189 1.38710 0.04736  -0.09662 0.02994  39 LYS AA CB  
317 N N   . THR A 40 ? 1.34912 1.19431 1.29302 0.04204  -0.06751 0.03572  40 THR AA N   
318 C CA  . THR A 40 ? 1.29363 1.14060 1.24313 0.04204  -0.05461 0.03989  40 THR AA CA  
319 C C   . THR A 40 ? 1.38181 1.22356 1.31571 0.03887  -0.05705 0.04013  40 THR AA C   
320 O O   . THR A 40 ? 1.46774 1.30355 1.39161 0.02987  -0.06394 0.03568  40 THR AA O   
321 C CB  . THR A 40 ? 1.21774 1.06705 1.18472 0.02849  -0.04123 0.03736  40 THR AA CB  
322 N N   . GLY A 41 ? 1.12070 0.96481 1.05179 0.04693  -0.05111 0.04528  41 GLY AA N   
323 C CA  . GLY A 41 ? 0.98275 0.82520 0.90043 0.04500  -0.05227 0.04604  41 GLY AA CA  
324 C C   . GLY A 41 ? 0.91006 0.75821 0.83595 0.03881  -0.03701 0.04712  41 GLY AA C   
325 O O   . GLY A 41 ? 0.93169 0.78298 0.87075 0.04026  -0.02536 0.04879  41 GLY AA O   
326 N N   . ARG A 42 ? 0.96370 0.81342 0.88063 0.03187  -0.03654 0.04607  42 ARG AA N   
327 C CA  . ARG A 42 ? 0.78246 0.63919 0.70573 0.02307  -0.02208 0.04581  42 ARG AA CA  
328 C C   . ARG A 42 ? 0.75259 0.61421 0.66298 0.03036  -0.02326 0.04883  42 ARG AA C   
329 O O   . ARG A 42 ? 0.85447 0.71351 0.74965 0.03701  -0.03570 0.05008  42 ARG AA O   
330 C CB  . ARG A 42 ? 0.73259 0.59010 0.66028 0.00366  -0.01800 0.04049  42 ARG AA CB  
331 C CG  . ARG A 42 ? 0.77440 0.62878 0.71857 -0.00597 -0.01132 0.03745  42 ARG AA CG  
332 C CD  . ARG A 42 ? 0.88289 0.73476 0.82804 -0.02396 -0.01177 0.03174  42 ARG AA CD  
333 N NE  . ARG A 42 ? 1.03398 0.88699 0.99554 -0.03835 0.00311  0.02934  42 ARG AA NE  
334 C CZ  . ARG A 42 ? 0.93883 0.79792 0.90598 -0.04548 0.01824  0.03008  42 ARG AA CZ  
335 N NH1 . ARG A 42 ? 1.04482 0.91096 1.00361 -0.03942 0.02074  0.03280  42 ARG AA NH1 
336 N NH2 . ARG A 42 ? 0.77874 0.63670 0.75975 -0.05956 0.03184  0.02775  42 ARG AA NH2 
337 N N   . GLY A 43 ? 0.77427 0.64268 0.69019 0.02892  -0.00939 0.04983  43 GLY AA N   
338 C CA  . GLY A 43 ? 0.74813 0.62330 0.65322 0.03462  -0.00891 0.05191  43 GLY AA CA  
339 C C   . GLY A 43 ? 0.70002 0.58414 0.61256 0.02511  0.00910  0.05020  43 GLY AA C   
340 O O   . GLY A 43 ? 0.63997 0.52335 0.56547 0.01466  0.02180  0.04796  43 GLY AA O   
341 N N   . ALA A 44 ? 0.61392 0.50671 0.51752 0.02836  0.01084  0.05105  44 ALA AA N   
342 C CA  . ALA A 44 ? 0.61804 0.52052 0.52682 0.01875  0.02859  0.04859  44 ALA AA CA  
343 C C   . ALA A 44 ? 0.71266 0.62216 0.61114 0.02906  0.02903  0.05047  44 ALA AA C   
344 O O   . ALA A 44 ? 0.71968 0.63135 0.60593 0.03811  0.01535  0.05283  44 ALA AA O   
345 C CB  . ALA A 44 ? 0.53496 0.44759 0.44639 -0.00106 0.03368  0.04386  44 ALA AA CB  
346 N N   . VAL A 45 ? 0.66710 0.57921 0.56995 0.02748  0.04585  0.04926  45 VAL AA N   
347 C CA  . VAL A 45 ? 0.76403 0.68444 0.65830 0.03375  0.04999  0.04937  45 VAL AA CA  
348 C C   . VAL A 45 ? 0.65933 0.59123 0.55850 0.01718  0.07014  0.04398  45 VAL AA C   
349 O O   . VAL A 45 ? 0.65093 0.57921 0.56038 0.00500  0.08333  0.04148  45 VAL AA O   
350 C CB  . VAL A 45 ? 0.67578 0.58462 0.56714 0.05213  0.05072  0.05326  45 VAL AA CB  
351 C CG1 . VAL A 45 ? 0.66769 0.56402 0.55653 0.06640  0.03330  0.05813  45 VAL AA CG1 
352 C CG2 . VAL A 45 ? 0.77421 0.67613 0.67479 0.04868  0.07089  0.05177  45 VAL AA CG2 
353 N N   . SER A 46 ? 0.62219 0.56819 0.51356 0.01656  0.07332  0.04203  46 SER AA N   
354 C CA  . SER A 46 ? 0.61412 0.57141 0.50883 0.00103  0.09404  0.03622  46 SER AA CA  
355 C C   . SER A 46 ? 0.60332 0.54781 0.50067 0.00622  0.11103  0.03600  46 SER AA C   
356 O O   . SER A 46 ? 0.69534 0.62771 0.58862 0.02426  0.10557  0.04018  46 SER AA O   
357 C CB  . SER A 46 ? 0.71466 0.69316 0.60018 -0.00128 0.09285  0.03357  46 SER AA CB  
358 O OG  . SER A 46 ? 0.76225 0.73866 0.64082 0.01184  0.09618  0.03437  46 SER AA OG  
359 N N   . GLU A 47 ? 0.71346 0.65964 0.61680 -0.00989 0.13253  0.03116  47 GLU AA N   
360 C CA  . GLU A 47 ? 0.67323 0.60560 0.57755 -0.00592 0.15165  0.03074  47 GLU AA CA  
361 C C   . GLU A 47 ? 0.72698 0.66111 0.62064 0.00573  0.15471  0.03002  47 GLU AA C   
362 O O   . GLU A 47 ? 0.72615 0.64423 0.61751 0.01884  0.16157  0.03235  47 GLU AA O   
363 C CB  . GLU A 47 ? 0.76524 0.70004 0.67536 -0.02739 0.17585  0.02504  47 GLU AA CB  
364 C CG  . GLU A 47 ? 0.79642 0.72094 0.70292 -0.02678 0.20034  0.02253  47 GLU AA CG  
365 C CD  . GLU A 47 ? 1.07893 1.02018 0.97780 -0.03930 0.21432  0.01504  47 GLU AA CD  
366 O OE1 . GLU A 47 ? 1.09409 1.05576 0.99407 -0.05512 0.21141  0.01094  47 GLU AA OE1 
367 O OE2 . GLU A 47 ? 1.17804 1.11259 1.06936 -0.03338 0.22840  0.01293  47 GLU AA OE2 
368 N N   . LYS A 48 ? 0.74877 0.70236 0.63555 0.00187  0.14940  0.02695  48 LYS AA N   
369 C CA  . LYS A 48 ? 0.74993 0.70682 0.62665 0.01166  0.15257  0.02550  48 LYS AA CA  
370 C C   . LYS A 48 ? 0.72954 0.67266 0.60087 0.03572  0.13515  0.03250  48 LYS AA C   
371 O O   . LYS A 48 ? 0.83410 0.76649 0.69969 0.04742  0.14196  0.03287  48 LYS AA O   
372 C CB  . LYS A 48 ? 0.79468 0.77836 0.66601 0.00235  0.14916  0.02102  48 LYS AA CB  
373 C CG  . LYS A 48 ? 0.86588 0.86553 0.73970 -0.02115 0.17010  0.01258  48 LYS AA CG  
374 C CD  . LYS A 48 ? 1.12953 1.15921 0.99845 -0.02913 0.16382  0.00877  48 LYS AA CD  
375 C CE  . LYS A 48 ? 1.14339 1.17827 1.00954 -0.01662 0.13690  0.01537  48 LYS AA CE  
376 N NZ  . LYS A 48 ? 1.28873 1.35280 1.15292 -0.02836 0.13142  0.01237  48 LYS AA NZ  
377 N N   . ASP A 49 ? 0.70446 0.64705 0.57646 0.04292  0.11328  0.03777  49 ASP AA N   
378 C CA  . ASP A 49 ? 0.75347 0.68375 0.61951 0.06430  0.09589  0.04437  49 ASP AA CA  
379 C C   . ASP A 49 ? 0.73057 0.63960 0.60228 0.07433  0.09542  0.04882  49 ASP AA C   
380 O O   . ASP A 49 ? 0.72123 0.61956 0.58847 0.09154  0.08131  0.05427  49 ASP AA O   
381 C CB  . ASP A 49 ? 0.68431 0.62273 0.54622 0.06738  0.07362  0.04782  49 ASP AA CB  
382 C CG  . ASP A 49 ? 0.73121 0.69337 0.58909 0.05591  0.07370  0.04383  49 ASP AA CG  
383 O OD1 . ASP A 49 ? 0.83429 0.80733 0.68836 0.05284  0.08527  0.03958  49 ASP AA OD1 
384 O OD2 . ASP A 49 ? 0.80916 0.77953 0.66714 0.05010  0.06240  0.04474  49 ASP AA OD2 
385 N N   . ALA A 50 ? 0.80528 0.70873 0.68630 0.06416  0.11045  0.04679  50 ALA AA N   
386 C CA  . ALA A 50 ? 0.67080 0.55727 0.55831 0.07323  0.10892  0.05130  50 ALA AA CA  
387 C C   . ALA A 50 ? 0.83522 0.70681 0.71797 0.08917  0.11785  0.05356  50 ALA AA C   
388 O O   . ALA A 50 ? 0.80139 0.67259 0.67973 0.08586  0.13590  0.04961  50 ALA AA O   
389 C CB  . ALA A 50 ? 0.77043 0.65570 0.66937 0.05737  0.12284  0.04884  50 ALA AA CB  
390 N N   . PRO A 51 ? 0.83060 0.68994 0.71327 0.10630  0.10587  0.05953  51 PRO AA N   
391 C CA  . PRO A 51 ? 0.78624 0.63031 0.66490 0.12195  0.11499  0.06214  51 PRO AA CA  
392 C C   . PRO A 51 ? 0.84596 0.68139 0.73150 0.11648  0.13722  0.06100  51 PRO AA C   
393 O O   . PRO A 51 ? 0.87738 0.71636 0.77278 0.10355  0.14150  0.05988  51 PRO AA O   
394 C CB  . PRO A 51 ? 0.89984 0.73630 0.77808 0.13924  0.09459  0.06879  51 PRO AA CB  
395 C CG  . PRO A 51 ? 0.74948 0.59434 0.63490 0.12971  0.08030  0.06905  51 PRO AA CG  
396 C CD  . PRO A 51 ? 0.70337 0.56281 0.58793 0.11219  0.08317  0.06380  51 PRO AA CD  
397 N N   . LYS A 52 ? 0.89617 0.71873 0.77539 0.12692  0.15221  0.06141  52 LYS AA N   
398 C CA  . LYS A 52 ? 0.92539 0.73775 0.80789 0.12236  0.17695  0.06025  52 LYS AA CA  
399 C C   . LYS A 52 ? 0.93759 0.74503 0.83138 0.12568  0.17372  0.06521  52 LYS AA C   
400 O O   . LYS A 52 ? 0.90900 0.71485 0.80988 0.11367  0.18977  0.06367  52 LYS AA O   
401 C CB  . LYS A 52 ? 0.94178 0.73834 0.81343 0.13654  0.19190  0.06069  52 LYS AA CB  
402 C CG  . LYS A 52 ? 0.92582 0.70918 0.79806 0.13315  0.21969  0.05982  52 LYS AA CG  
403 C CD  . LYS A 52 ? 1.05569 0.82112 0.91524 0.14846  0.23483  0.06030  52 LYS AA CD  
404 C CE  . LYS A 52 ? 1.17960 0.93163 1.03665 0.14184  0.26589  0.05816  52 LYS AA CE  
405 N NZ  . LYS A 52 ? 1.12113 0.86533 0.98715 0.14898  0.26799  0.06505  52 LYS AA NZ  
406 N N   . GLU A 53 ? 0.98496 0.79036 0.88038 0.14149  0.15364  0.07101  53 GLU AA N   
407 C CA  . GLU A 53 ? 0.84445 0.64703 0.75059 0.14570  0.15033  0.07544  53 GLU AA CA  
408 C C   . GLU A 53 ? 0.88595 0.69947 0.80322 0.12673  0.14601  0.07275  53 GLU AA C   
409 O O   . GLU A 53 ? 0.93472 0.74563 0.86152 0.12106  0.15648  0.07352  53 GLU AA O   
410 C CB  . GLU A 53 ? 0.83222 0.63301 0.73691 0.16501  0.12873  0.08123  53 GLU AA CB  
411 C CG  . GLU A 53 ? 0.92507 0.72847 0.84137 0.16731  0.12027  0.08476  53 GLU AA CG  
412 C CD  . GLU A 53 ? 1.08318 0.87721 1.00390 0.17659  0.13728  0.08855  53 GLU AA CD  
413 O OE1 . GLU A 53 ? 1.33448 1.11892 1.25016 0.17600  0.15998  0.08739  53 GLU AA OE1 
414 O OE2 . GLU A 53 ? 1.21222 1.00876 1.14085 0.18460  0.12842  0.09261  53 GLU AA OE2 
415 N N   . LEU A 54 ? 0.89072 0.71593 0.80633 0.11701  0.13134  0.06969  54 LEU AA N   
416 C CA  . LEU A 54 ? 0.80553 0.64034 0.73014 0.09859  0.12744  0.06665  54 LEU AA CA  
417 C C   . LEU A 54 ? 0.78354 0.61877 0.71235 0.08040  0.15147  0.06213  54 LEU AA C   
418 O O   . LEU A 54 ? 0.78893 0.62431 0.72815 0.06939  0.15683  0.06161  54 LEU AA O   
419 C CB  . LEU A 54 ? 0.76474 0.61115 0.68383 0.09288  0.10939  0.06435  54 LEU AA CB  
420 C CG  . LEU A 54 ? 0.82677 0.68215 0.75332 0.07595  0.10183  0.06154  54 LEU AA CG  
421 C CD1 . LEU A 54 ? 0.78751 0.63894 0.72157 0.08188  0.08838  0.06481  54 LEU AA CD1 
422 C CD2 . LEU A 54 ? 0.58682 0.45352 0.50538 0.07048  0.08827  0.05920  54 LEU AA CD2 
423 N N   . LEU A 55 ? 0.75358 0.58888 0.67393 0.07631  0.16670  0.05846  55 LEU AA N   
424 C CA  . LEU A 55 ? 0.77873 0.61430 0.70112 0.05785  0.19124  0.05349  55 LEU AA CA  
425 C C   . LEU A 55 ? 0.87181 0.69227 0.79883 0.06178  0.21073  0.05645  55 LEU AA C   
426 O O   . LEU A 55 ? 0.88352 0.70297 0.81733 0.04602  0.22605  0.05433  55 LEU AA O   
427 C CB  . LEU A 55 ? 0.78716 0.62639 0.69804 0.05371  0.20342  0.04837  55 LEU AA CB  
428 C CG  . LEU A 55 ? 0.79426 0.65125 0.70103 0.04756  0.18658  0.04520  55 LEU AA CG  
429 C CD1 . LEU A 55 ? 0.88783 0.74859 0.78262 0.04899  0.19524  0.04105  55 LEU AA CD1 
430 C CD2 . LEU A 55 ? 0.85517 0.72564 0.76911 0.02485  0.18786  0.04088  55 LEU AA CD2 
431 N N   . ASP A 56 ? 0.86159 0.66996 0.78448 0.08305  0.21081  0.06167  56 ASP AA N   
432 C CA  . ASP A 56 ? 0.93297 0.72735 0.85964 0.09001  0.22801  0.06573  56 ASP AA CA  
433 C C   . ASP A 56 ? 1.00309 0.80093 0.94412 0.08696  0.21870  0.06889  56 ASP AA C   
434 O O   . ASP A 56 ? 1.01165 0.80301 0.95907 0.08026  0.23617  0.06976  56 ASP AA O   
435 C CB  . ASP A 56 ? 0.87504 0.65746 0.79367 0.11513  0.22725  0.07103  56 ASP AA CB  
436 C CG  . ASP A 56 ? 1.09028 0.86364 0.99443 0.11746  0.24542  0.06760  56 ASP AA CG  
437 O OD1 . ASP A 56 ? 1.11135 0.88872 1.01206 0.09894  0.25983  0.06086  56 ASP AA OD1 
438 O OD2 . ASP A 56 ? 1.10800 0.87049 1.00381 0.13743  0.24552  0.07125  56 ASP AA OD2 
439 N N   . MET A 57 ? 0.83157 0.63890 0.77709 0.09160  0.19198  0.07046  57 MET AA N   
440 C CA  . MET A 57 ? 0.90720 0.71929 0.86595 0.08604  0.18218  0.07185  57 MET AA CA  
441 C C   . MET A 57 ? 0.93411 0.75110 0.89942 0.06099  0.19200  0.06660  57 MET AA C   
442 O O   . MET A 57 ? 0.99936 0.81374 0.97516 0.05377  0.19971  0.06750  57 MET AA O   
443 C CB  . MET A 57 ? 0.79600 0.61695 0.75545 0.09290  0.15278  0.07291  57 MET AA CB  
444 C CG  . MET A 57 ? 0.87163 0.68870 0.82523 0.11658  0.14112  0.07814  57 MET AA CG  
445 S SD  . MET A 57 ? 1.02792 0.85460 0.98156 0.12074  0.10865  0.07855  57 MET AA SD  
446 C CE  . MET A 57 ? 0.78070 0.61202 0.75029 0.10977  0.10588  0.07784  57 MET AA CE  
447 N N   . LEU A 58 ? 0.90723 0.73220 0.86648 0.04760  0.19153  0.06116  58 LEU AA N   
448 C CA  . LEU A 58 ? 0.90597 0.73672 0.87022 0.02312  0.20152  0.05582  58 LEU AA CA  
449 C C   . LEU A 58 ? 0.91059 0.73067 0.87664 0.01468  0.23134  0.05531  58 LEU AA C   
450 O O   . LEU A 58 ? 0.99863 0.81726 0.97414 0.00058  0.23972  0.05446  58 LEU AA O   
451 C CB  . LEU A 58 ? 0.81097 0.65389 0.76677 0.01247  0.19753  0.05034  58 LEU AA CB  
452 C CG  . LEU A 58 ? 0.79931 0.65129 0.75896 -0.01334 0.20630  0.04436  58 LEU AA CG  
453 C CD1 . LEU A 58 ? 0.78689 0.63782 0.75923 -0.02282 0.20073  0.04503  58 LEU AA CD1 
454 C CD2 . LEU A 58 ? 0.84191 0.70996 0.79452 -0.01962 0.19291  0.04037  58 LEU AA CD2 
455 N N   . ALA A 59 ? 0.88970 0.70079 0.84570 0.02302  0.24850  0.05571  59 ALA AA N   
456 C CA  . ALA A 59 ? 0.94281 0.74117 0.89751 0.01567  0.27921  0.05523  59 ALA AA CA  
457 C C   . ALA A 59 ? 0.91271 0.70036 0.87680 0.02482  0.28428  0.06166  59 ALA AA C   
458 O O   . ALA A 59 ? 0.94615 0.72866 0.91640 0.01295  0.29636  0.05901  59 ALA AA O   
459 C CB  . ALA A 59 ? 0.91718 0.70643 0.85768 0.02509  0.29390  0.05379  59 ALA AA CB  
460 N N   . ARG A 60 ? 0.92264 0.70941 0.88895 0.04681  0.26716  0.06762  60 ARG AA N   
461 C CA  . ARG A 60 ? 0.98756 0.76823 0.96368 0.05681  0.26906  0.07383  60 ARG AA CA  
462 C C   . ARG A 60 ? 1.03322 0.82103 1.02351 0.03976  0.26270  0.07209  60 ARG AA C   
463 O O   . ARG A 60 ? 1.13264 0.91332 1.13045 0.03489  0.27834  0.07433  60 ARG AA O   
464 C CB  . ARG A 60 ? 0.99508 0.77831 0.97128 0.08163  0.24786  0.07947  60 ARG AA CB  
465 C CG  . ARG A 60 ? 1.07802 0.84970 1.04237 0.10270  0.25813  0.08356  60 ARG AA CG  
466 C CD  . ARG A 60 ? 1.14475 0.92136 1.10955 0.12520  0.23456  0.08862  60 ARG AA CD  
467 N NE  . ARG A 60 ? 1.06532 0.83628 1.01599 0.13972  0.23332  0.08914  60 ARG AA NE  
468 C CZ  . ARG A 60 ? 1.15843 0.93614 1.10556 0.15086  0.20967  0.08998  60 ARG AA CZ  
469 N NH1 . ARG A 60 ? 1.07106 0.86126 1.02655 0.14928  0.18540  0.09014  60 ARG AA NH1 
470 N NH2 . ARG A 60 ? 1.25953 1.03011 1.19349 0.16352  0.21122  0.09042  60 ARG AA NH2 
471 N N   . ALA A 61 ? 1.04050 0.84140 1.03384 0.03095  0.24015  0.06819  61 ALA AA N   
472 C CA  . ALA A 61 ? 0.93490 0.74176 0.94048 0.01476  0.23266  0.06585  61 ALA AA CA  
473 C C   . ALA A 61 ? 1.03946 0.84276 1.04717 -0.00923 0.25488  0.06157  61 ALA AA C   
474 O O   . ALA A 61 ? 1.05634 0.85967 1.07504 -0.02181 0.25593  0.06079  61 ALA AA O   
475 C CB  . ALA A 61 ? 0.82106 0.64076 0.82613 0.01093  0.20534  0.06234  61 ALA AA CB  
476 N N   . GLU A 62 ? 0.96628 0.76692 0.96344 -0.01678 0.27245  0.05825  62 GLU AA N   
477 C CA  . GLU A 62 ? 1.13606 0.93972 1.13389 -0.03313 0.27630  0.04706  62 GLU AA CA  
478 C C   . GLU A 62 ? 1.11082 0.90140 1.10833 -0.02467 0.28846  0.04621  62 GLU AA C   
479 O O   . GLU A 62 ? 1.09888 0.88971 1.09534 -0.03546 0.28986  0.03741  62 GLU AA O   
480 C CB  . GLU A 62 ? 0.89974 0.71275 0.88690 -0.04230 0.27408  0.03879  62 GLU AA CB  
481 C CG  . GLU A 62 ? 0.96380 0.79019 0.94995 -0.05104 0.26264  0.03927  62 GLU AA CG  
482 C CD  . GLU A 62 ? 1.10444 0.94148 1.07958 -0.05645 0.26183  0.03282  62 GLU AA CD  
483 O OE1 . GLU A 62 ? 1.21256 1.06449 1.18833 -0.07253 0.25360  0.02620  62 GLU AA OE1 
484 O OE2 . GLU A 62 ? 0.99497 0.82620 0.96074 -0.04387 0.26892  0.03456  62 GLU AA OE2 
485 N N   . ARG A 63 ? 1.14193 0.92107 1.13982 -0.00485 0.29680  0.05617  63 ARG AA N   
486 C CA  . ARG A 63 ? 1.19755 0.96244 1.19564 0.00562  0.30869  0.05764  63 ARG AA CA  
487 C C   . ARG A 63 ? 1.33849 1.09490 1.32508 0.00199  0.31530  0.04901  63 ARG AA C   
488 O O   . ARG A 63 ? 1.34049 1.08673 1.31699 0.01484  0.32177  0.05187  63 ARG AA O   
489 C CB  . ARG A 63 ? 1.06976 0.83572 1.08040 -0.00208 0.30757  0.05631  63 ARG AA CB  
490 C CG  . ARG A 63 ? 1.02776 0.80239 1.05163 -0.00356 0.29855  0.06324  63 ARG AA CG  
491 C CD  . ARG A 63 ? 1.18475 0.97267 1.21032 -0.02190 0.28395  0.05745  63 ARG AA CD  
492 N NE  . ARG A 63 ? 1.33116 1.12554 1.35434 -0.03966 0.28005  0.04501  63 ARG AA NE  
493 C CZ  . ARG A 63 ? 1.23959 1.03714 1.27073 -0.04915 0.27587  0.04100  63 ARG AA CZ  
494 N NH1 . ARG A 63 ? 1.11764 0.91326 1.16068 -0.04472 0.27452  0.04710  63 ARG AA NH1 
495 N NH2 . ARG A 63 ? 1.33496 1.13833 1.36179 -0.06273 0.27254  0.03127  63 ARG AA NH2 
# 
