data_8Q2M
# 
_entry.id   8Q2M 
# 
_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   8Q2M         pdb_00008q2m 10.2210/pdb8q2m/pdb 
WWPDB D_1292131874 ?            ?                   
# 
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 2023-08-23 ? 
2 'Structure model' 2 0 2023-11-15 ? 
3 'Structure model' 2 1 2025-01-22 ? 
4 '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' Advisory               
2 2 'Structure model' 'Atomic model'         
3 2 'Structure model' 'Data collection'      
4 2 'Structure model' 'Derived calculations' 
5 3 'Structure model' 'Database references'  
6 3 'Structure model' 'Structure summary'    
7 4 'Structure model' 'Database references'  
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1  2 'Structure model' atom_site                      
2  2 'Structure model' chem_comp_atom                 
3  2 'Structure model' chem_comp_bond                 
4  2 'Structure model' pdbx_validate_main_chain_plane 
5  2 'Structure model' pdbx_validate_peptide_omega    
6  2 'Structure model' pdbx_validate_rmsd_angle       
7  2 'Structure model' pdbx_validate_symm_contact     
8  2 'Structure model' struct_conn                    
9  3 'Structure model' citation                       
10 3 'Structure model' citation_author                
11 3 'Structure model' pdbx_entry_details             
12 3 'Structure model' pdbx_modification_feature      
13 4 'Structure model' citation                       
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_atom_site.auth_atom_id'                            
2  2 'Structure model' '_atom_site.label_atom_id'                           
3  2 'Structure model' '_chem_comp_atom.atom_id'                            
4  2 'Structure model' '_chem_comp_bond.atom_id_1'                          
5  2 'Structure model' '_chem_comp_bond.atom_id_2'                          
6  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_deviation'          
7  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_standard_deviation' 
8  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_target_value'       
9  2 'Structure model' '_pdbx_validate_rmsd_angle.angle_value'              
10 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_1'           
11 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_2'           
12 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_atom_id_3'           
13 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_comp_id_2'           
14 2 'Structure model' '_pdbx_validate_rmsd_angle.auth_seq_id_2'            
15 2 'Structure model' '_pdbx_validate_symm_contact.auth_atom_id_1'         
16 2 'Structure model' '_pdbx_validate_symm_contact.auth_atom_id_2'         
17 2 'Structure model' '_struct_conn.ptnr1_label_atom_id'                   
18 3 'Structure model' '_citation.country'                                  
19 3 'Structure model' '_citation.journal_abbrev'                           
20 3 'Structure model' '_citation.journal_id_ASTM'                          
21 3 'Structure model' '_citation.journal_id_CSD'                           
22 3 'Structure model' '_citation.journal_id_ISSN'                          
23 3 'Structure model' '_citation.page_first'                               
24 3 'Structure model' '_citation.page_last'                                
25 3 'Structure model' '_citation.pdbx_database_id_DOI'                     
26 3 'Structure model' '_citation.pdbx_database_id_PubMed'                  
27 3 'Structure model' '_citation.title'                                    
28 3 'Structure model' '_citation.year'                                     
29 3 'Structure model' '_pdbx_entry_details.has_protein_modification'       
30 4 'Structure model' '_citation.journal_volume'                           
31 4 'Structure model' '_citation.year'                                     
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8Q2M 
_pdbx_database_status.recvd_initial_deposition_date   2023-08-02 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8Q2M 
_pdbx_database_related.content_type   'complete structure' 
# 
_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 7b' 7538.743 1 ? ? ? ? 
2 polymer syn 'DNA mimic Foldamer'     2536.719 2 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '7 kDa DNA-binding protein b,Sac7b' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  MVKVKFKYKGEEKEVDTSKIKKVWRAGKAVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK 
MVKVKFKYKGEEKEVDTSKIKKVWRAGKAVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK AA  ? 
2 'polypeptide(L)' no yes '(GOA)(V4F)(V53)(V4F)(V53)(V5F)(V4F)(V53)(V4F)(V53)'               XXXXXXXXXX A,B ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  MET n 
1 2  VAL n 
1 3  LYS n 
1 4  VAL n 
1 5  LYS n 
1 6  PHE n 
1 7  LYS n 
1 8  TYR n 
1 9  LYS n 
1 10 GLY n 
1 11 GLU n 
1 12 GLU n 
1 13 LYS n 
1 14 GLU n 
1 15 VAL n 
1 16 ASP n 
1 17 THR n 
1 18 SER n 
1 19 LYS n 
1 20 ILE n 
1 21 LYS n 
1 22 LYS n 
1 23 VAL n 
1 24 TRP n 
1 25 ARG n 
1 26 ALA n 
1 27 GLY n 
1 28 LYS n 
1 29 ALA n 
1 30 VAL n 
1 31 SER n 
1 32 PHE n 
1 33 THR n 
1 34 TYR n 
1 35 ASP n 
1 36 ASP n 
1 37 ASN n 
1 38 GLY n 
1 39 LYS n 
1 40 THR n 
1 41 GLY n 
1 42 ARG n 
1 43 GLY n 
1 44 ALA n 
1 45 VAL n 
1 46 SER n 
1 47 GLU n 
1 48 LYS n 
1 49 ASP n 
1 50 ALA n 
1 51 PRO n 
1 52 LYS n 
1 53 GLU n 
1 54 LEU n 
1 55 LEU n 
1 56 ASP n 
1 57 MET n 
1 58 LEU n 
1 59 ALA n 
1 60 ARG n 
1 61 ALA n 
1 62 GLU n 
1 63 ARG n 
1 64 GLU n 
1 65 LYS n 
1 66 LYS n 
2 1  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' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     2285 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      
;Escherichia coli 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_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  
ILE 'L-peptide linking' y ISOLEUCINE                                                        ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                                                           ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                                                            ? 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                                                        ? 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                                     ? 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                                           ? 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                                            ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                                                         ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                        ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                                          ? 'C9 H11 N O3'     181.189 
V4F 'peptide linking'   n '8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid' ? 'C12 H13 N2 O6 P' 312.215 
V53 'peptide linking'   n '8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid'        ? 'C11 H11 N2 O6 P' 298.189 
V5F 'peptide linking'   . '(2R)-2-(2-azanylphenoxy)propanoic acid'                          ? 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                                            ? 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  MET 1  1   1  MET MET AA . n 
A 1 2  VAL 2  2   2  VAL VAL AA . n 
A 1 3  LYS 3  3   3  LYS LYS AA . n 
A 1 4  VAL 4  4   4  VAL VAL AA . n 
A 1 5  LYS 5  5   5  LYS LYS AA . n 
A 1 6  PHE 6  6   6  PHE PHE AA . n 
A 1 7  LYS 7  7   7  LYS LYS AA . n 
A 1 8  TYR 8  8   8  TYR TYR AA . n 
A 1 9  LYS 9  9   9  LYS LYS AA . n 
A 1 10 GLY 10 10  10 GLY GLY AA . n 
A 1 11 GLU 11 11  11 GLU GLU AA . n 
A 1 12 GLU 12 12  12 GLU GLU AA . n 
A 1 13 LYS 13 13  13 LYS LYS AA . n 
A 1 14 GLU 14 14  14 GLU GLU AA . n 
A 1 15 VAL 15 15  15 VAL VAL AA . n 
A 1 16 ASP 16 16  16 ASP ASP AA . n 
A 1 17 THR 17 17  17 THR THR AA . n 
A 1 18 SER 18 18  18 SER SER AA . n 
A 1 19 LYS 19 19  19 LYS LYS AA . n 
A 1 20 ILE 20 20  20 ILE ILE AA . n 
A 1 21 LYS 21 21  21 LYS LYS AA . n 
A 1 22 LYS 22 22  22 LYS LYS AA . n 
A 1 23 VAL 23 23  23 VAL VAL AA . n 
A 1 24 TRP 24 24  24 TRP TRP AA . n 
A 1 25 ARG 25 25  25 ARG ARG AA . n 
A 1 26 ALA 26 26  26 ALA ALA AA . n 
A 1 27 GLY 27 27  27 GLY GLY AA . n 
A 1 28 LYS 28 28  28 LYS LYS AA . n 
A 1 29 ALA 29 29  29 ALA ALA AA . n 
A 1 30 VAL 30 30  30 VAL VAL AA . n 
A 1 31 SER 31 31  31 SER SER AA . n 
A 1 32 PHE 32 32  32 PHE PHE AA . n 
A 1 33 THR 33 33  33 THR THR AA . n 
A 1 34 TYR 34 34  34 TYR TYR AA . n 
A 1 35 ASP 35 35  35 ASP ASP AA . n 
A 1 36 ASP 36 36  36 ASP ASP AA . n 
A 1 37 ASN 37 37  37 ASN ASN AA . n 
A 1 38 GLY 38 38  38 GLY GLY AA . n 
A 1 39 LYS 39 39  39 LYS LYS AA . n 
A 1 40 THR 40 40  40 THR THR AA . n 
A 1 41 GLY 41 41  41 GLY GLY AA . n 
A 1 42 ARG 42 42  42 ARG ARG AA . n 
A 1 43 GLY 43 43  43 GLY GLY AA . n 
A 1 44 ALA 44 44  44 ALA ALA AA . n 
A 1 45 VAL 45 45  45 VAL VAL AA . n 
A 1 46 SER 46 46  46 SER SER AA . n 
A 1 47 GLU 47 47  47 GLU GLU AA . n 
A 1 48 LYS 48 48  48 LYS LYS AA . n 
A 1 49 ASP 49 49  49 ASP ASP AA . n 
A 1 50 ALA 50 50  50 ALA ALA AA . n 
A 1 51 PRO 51 51  51 PRO PRO AA . n 
A 1 52 LYS 52 52  52 LYS LYS AA . n 
A 1 53 GLU 53 53  53 GLU GLU AA . n 
A 1 54 LEU 54 54  54 LEU LEU AA . n 
A 1 55 LEU 55 55  55 LEU LEU AA . n 
A 1 56 ASP 56 56  56 ASP ASP AA . n 
A 1 57 MET 57 57  57 MET MET AA . n 
A 1 58 LEU 58 58  58 LEU LEU AA . n 
A 1 59 ALA 59 59  59 ALA ALA AA . n 
A 1 60 ARG 60 60  60 ARG ARG AA . n 
A 1 61 ALA 61 61  61 ALA ALA AA . n 
A 1 62 GLU 62 62  62 GLU GLU AA . n 
A 1 63 ARG 63 63  63 ARG ARG AA . n 
A 1 64 GLU 64 64  ?  ?   ?   AA . n 
A 1 65 LYS 65 65  ?  ?   ?   AA . n 
A 1 66 LYS 66 66  ?  ?   ?   AA . n 
B 2 1  GOA 1  101 1  GOA XUW A  . n 
B 2 2  V4F 2  102 1  V4F XUW A  . n 
B 2 3  V53 3  103 1  V53 XUW A  . n 
B 2 4  V4F 4  104 1  V4F XUW A  . n 
B 2 5  V53 5  105 1  V53 XUW A  . n 
B 2 6  V5F 6  106 1  V5F XUW A  . n 
B 2 7  V4F 7  107 1  V4F XUW A  . n 
B 2 8  V53 8  108 1  V53 XUW A  . n 
B 2 9  V4F 9  109 1  V4F XUW A  . n 
B 2 10 V53 10 110 1  V53 XUW A  . n 
C 2 1  GOA 1  111 1  GOA XUW B  . n 
C 2 2  V4F 2  112 1  V4F XUW B  . n 
C 2 3  V53 3  113 1  V53 XUW B  . n 
C 2 4  V4F 4  114 1  V4F XUW B  . n 
C 2 5  V53 5  115 1  V53 XUW B  . n 
C 2 6  V5F 6  116 1  V5F XUW B  . n 
C 2 7  V4F 7  117 1  V4F XUW B  . n 
C 2 8  V53 8  118 1  V53 XUW B  . n 
C 2 9  V4F 9  119 1  V4F XUW B  . n 
C 2 10 V53 10 120 1  V53 XUW B  . 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 GOA ? ? GOA ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 AA TYR 8  ? CG  ? A TYR 8  CG  
2  1 Y 1 AA TYR 8  ? CD1 ? A TYR 8  CD1 
3  1 Y 1 AA TYR 8  ? CD2 ? A TYR 8  CD2 
4  1 Y 1 AA TYR 8  ? CE1 ? A TYR 8  CE1 
5  1 Y 1 AA TYR 8  ? CE2 ? A TYR 8  CE2 
6  1 Y 1 AA TYR 8  ? CZ  ? A TYR 8  CZ  
7  1 Y 1 AA TYR 8  ? OH  ? A TYR 8  OH  
8  1 Y 1 AA LYS 9  ? CG  ? A LYS 9  CG  
9  1 Y 1 AA LYS 9  ? CD  ? A LYS 9  CD  
10 1 Y 1 AA LYS 9  ? CE  ? A LYS 9  CE  
11 1 Y 1 AA LYS 9  ? NZ  ? A LYS 9  NZ  
12 1 Y 1 AA TRP 24 ? CG  ? A TRP 24 CG  
13 1 Y 1 AA TRP 24 ? CD1 ? A TRP 24 CD1 
14 1 Y 1 AA TRP 24 ? CD2 ? A TRP 24 CD2 
15 1 Y 1 AA TRP 24 ? NE1 ? A TRP 24 NE1 
16 1 Y 1 AA TRP 24 ? CE2 ? A TRP 24 CE2 
17 1 Y 1 AA TRP 24 ? CE3 ? A TRP 24 CE3 
18 1 Y 1 AA TRP 24 ? CZ2 ? A TRP 24 CZ2 
19 1 Y 1 AA TRP 24 ? CZ3 ? A TRP 24 CZ3 
20 1 Y 1 AA TRP 24 ? CH2 ? A TRP 24 CH2 
21 1 Y 1 AA LYS 39 ? CG  ? A LYS 39 CG  
22 1 Y 1 AA LYS 39 ? CD  ? A LYS 39 CD  
23 1 Y 1 AA LYS 39 ? CE  ? A LYS 39 CE  
24 1 Y 1 AA LYS 39 ? NZ  ? A LYS 39 NZ  
25 1 Y 1 AA THR 40 ? OG1 ? A THR 40 OG1 
26 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 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .           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                     8Q2M 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.920 
_cell.length_a_esd                 ? 
_cell.length_b                     70.920 
_cell.length_b_esd                 ? 
_cell.length_c                     119.290 
_cell.length_c_esd                 ? 
_cell.volume                       519603.567 
_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                         8Q2M 
_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                   8Q2M 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             5.74 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          78.59 
_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    '9 % PEG 400, 0.1 M MES pH 6.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 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         2023-06-18 
_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   0.9763 
_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                        'PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9763 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'P13 (MX1)' 
_diffrn_source.pdbx_synchrotron_site       'PETRA III, EMBL c/o DESY' 
# 
_reflns.B_iso_Wilson_estimate                          115.53 
_reflns.entry_id                                       8Q2M 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              3.21 
_reflns.d_resolution_low                               30.71 
_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                                     3226 
_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                           99.54 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                37.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.56 
_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                                   1 
_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                                    3.21 
_reflns_shell.d_res_low                                     3.32 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.51 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             310 
_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                               39.9 
_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                                  0.952 
_reflns_shell.pdbx_CC_star                                  0.988 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_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                               129.42 
_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                                 8Q2M 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            3.21 
_refine.ls_d_res_low                             30.71 
_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                     3220 
_refine.ls_number_reflns_R_free                  322 
_refine.ls_number_reflns_R_work                  2898 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.78 
_refine.ls_percent_reflns_R_free                 10.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.3260 
_refine.ls_R_factor_R_free                       0.3345 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.3249 
_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                          1.37 
_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                 41.8877 
_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                            0.3663 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       3.21 
_refine_hist.d_res_low                        30.71 
_refine_hist.number_atoms_solvent             0 
_refine_hist.number_atoms_total               820 
_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        474 
_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' ? 0.0256  ? 853  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 4.1230  ? 1197 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.2804  ? 88   ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0254  ? 120  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.7308 ? 181  ? 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' 3.21 4.04  . . 154 1389 99.61 . . . . 0.3599 . . . . . . . . . . . 0.4072 
'X-RAY DIFFRACTION' 4.05 30.71 . . 168 1509 99.94 . . . . 0.3172 . . . . . . . . . . . 0.3177 
# 
_struct.entry_id                     8Q2M 
_struct.title                        '18mer DNA mimic Foldamer with an Aliphatic linker in complex with Sac7d V26A/M29A protein' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8Q2M 
_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 ? 
# 
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 8Q2M       8Q2M   ? 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 8Q2M AA 1 ? 66 ? P13123 1   ? 66  ? 1   66  
2 2 8Q2M A  1 ? 10 ? 8Q2M   101 ? 110 ? 101 110 
3 2 8Q2M B  1 ? 10 ? 8Q2M   111 ? 120 ? 111 120 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8Q2M ALA AA 26 ? UNP P13123 VAL 26 conflict 26 1 
1 8Q2M ALA AA 29 ? UNP P13123 MET 29 conflict 29 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 280  ? 
1 MORE         4    ? 
1 'SSA (A^2)'  6480 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'surface plasmon resonance' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_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 ? ? A GOA 101 A V4F 102 1_555 ? ? ? ? ? ? ? 1.356 ? ? 
covale2  covale both ? B V4F 2 C ? ? ? 1_555 B V53 3  N ? ? A V4F 102 A V53 103 1_555 ? ? ? ? ? ? ? 1.363 ? ? 
covale3  covale both ? B V53 3 C ? ? ? 1_555 B V4F 4  N ? ? A V53 103 A V4F 104 1_555 ? ? ? ? ? ? ? 1.369 ? ? 
covale4  covale both ? B V4F 4 C ? ? ? 1_555 B V53 5  N ? ? A V4F 104 A V53 105 1_555 ? ? ? ? ? ? ? 1.362 ? ? 
covale5  covale both ? B V53 5 C ? ? ? 1_555 B V5F 6  N ? ? A V53 105 A V5F 106 1_555 ? ? ? ? ? ? ? 1.388 ? ? 
covale6  covale both ? B V5F 6 C ? ? ? 1_555 B V4F 7  N ? ? A V5F 106 A V4F 107 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale7  covale both ? B V4F 7 C ? ? ? 1_555 B V53 8  N ? ? A V4F 107 A V53 108 1_555 ? ? ? ? ? ? ? 1.353 ? ? 
covale8  covale both ? B V53 8 C ? ? ? 1_555 B V4F 9  N ? ? A V53 108 A V4F 109 1_555 ? ? ? ? ? ? ? 1.387 ? ? 
covale9  covale both ? B V4F 9 C ? ? ? 1_555 B V53 10 N ? ? A V4F 109 A V53 110 1_555 ? ? ? ? ? ? ? 1.365 ? ? 
covale10 covale both ? C GOA 1 C ? ? ? 1_555 C V4F 2  N ? ? B GOA 111 B V4F 112 1_555 ? ? ? ? ? ? ? 1.382 ? ? 
covale11 covale both ? C V4F 2 C ? ? ? 1_555 C V53 3  N ? ? B V4F 112 B V53 113 1_555 ? ? ? ? ? ? ? 1.351 ? ? 
covale12 covale both ? C V53 3 C ? ? ? 1_555 C V4F 4  N ? ? B V53 113 B V4F 114 1_555 ? ? ? ? ? ? ? 1.401 ? ? 
covale13 covale both ? C V4F 4 C ? ? ? 1_555 C V53 5  N ? ? B V4F 114 B V53 115 1_555 ? ? ? ? ? ? ? 1.343 ? ? 
covale14 covale both ? C V53 5 C ? ? ? 1_555 C V5F 6  N ? ? B V53 115 B V5F 116 1_555 ? ? ? ? ? ? ? 1.359 ? ? 
covale15 covale both ? C V5F 6 C ? ? ? 1_555 C V4F 7  N ? ? B V5F 116 B V4F 117 1_555 ? ? ? ? ? ? ? 1.305 ? ? 
covale16 covale both ? C V4F 7 C ? ? ? 1_555 C V53 8  N ? ? B V4F 117 B V53 118 1_555 ? ? ? ? ? ? ? 1.375 ? ? 
covale17 covale both ? C V53 8 C ? ? ? 1_555 C V4F 9  N ? ? B V53 118 B V4F 119 1_555 ? ? ? ? ? ? ? 1.371 ? ? 
covale18 covale both ? C V4F 9 C ? ? ? 1_555 C V53 10 N ? ? B V4F 119 B V53 120 1_555 ? ? ? ? ? ? ? 1.367 ? ? 
# 
_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 A 101 ? 1_555 . . . . . . . GLY 1 GOA None 'Non-standard residue' 
2  V4F B 2  ? . . . . V4F A 102 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
3  V53 B 3  ? . . . . V53 A 103 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
4  V4F B 4  ? . . . . V4F A 104 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
5  V53 B 5  ? . . . . V53 A 105 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
6  V5F B 6  ? . . . . V5F A 106 ? 1_555 . . . . . . . ?   1 V5F None 'Non-standard residue' 
7  V4F B 7  ? . . . . V4F A 107 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
8  V53 B 8  ? . . . . V53 A 108 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
9  V4F B 9  ? . . . . V4F A 109 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
10 V53 B 10 ? . . . . V53 A 110 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
11 GOA C 1  ? . . . . GOA B 111 ? 1_555 . . . . . . . GLY 1 GOA None 'Non-standard residue' 
12 V4F C 2  ? . . . . V4F B 112 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
13 V53 C 3  ? . . . . V53 B 113 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
14 V4F C 4  ? . . . . V4F B 114 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
15 V53 C 5  ? . . . . V53 B 115 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
16 V5F C 6  ? . . . . V5F B 116 ? 1_555 . . . . . . . ?   1 V5F None 'Non-standard residue' 
17 V4F C 7  ? . . . . V4F B 117 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
18 V53 C 8  ? . . . . V53 B 118 ? 1_555 . . . . . . . ?   1 V53 None 'Non-standard residue' 
19 V4F C 9  ? . . . . V4F B 119 ? 1_555 . . . . . . . ?   1 V4F None 'Non-standard residue' 
20 V53 C 10 ? . . . . V53 B 120 ? 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 102 A V53 3  B ? V53 103 A 1 -25.00 
2  V4F 4 B . ? V4F 104 A V53 5  B ? V53 105 A 1 -29.85 
3  V53 5 B . ? V53 105 A V5F 6  B ? V5F 106 A 1 -21.24 
4  V53 8 B . ? V53 108 A V4F 9  B ? V4F 109 A 1 -23.28 
5  V4F 2 C . ? V4F 112 B V53 3  C ? V53 113 B 1 -6.51  
6  V53 3 C . ? V53 113 B V4F 4  C ? V4F 114 B 1 -27.68 
7  V4F 4 C . ? V4F 114 B V53 5  C ? V53 115 B 1 1.59   
8  V53 5 C . ? V53 115 B V5F 6  C ? V5F 116 B 1 -2.65  
9  V4F 7 C . ? V4F 117 B V53 8  C ? V53 118 B 1 -29.35 
10 V53 8 C . ? V53 118 B V4F 9  C ? V4F 119 B 1 -4.59  
11 V4F 9 C . ? V4F 119 B V53 10 C ? V53 120 B 1 4.71   
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 3 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LYS A 3  ? TYR A 8  ? LYS AA 3  TYR AA 8  
AA1 2 GLU A 11 ? ASP A 16 ? GLU AA 11 ASP AA 16 
AA2 1 ILE A 20 ? ALA A 26 ? ILE AA 20 ALA AA 26 
AA2 2 ALA A 29 ? ASP A 36 ? ALA AA 29 ASP AA 36 
AA2 3 LYS A 39 ? SER A 46 ? LYS AA 39 SER AA 46 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 6  ? N PHE AA 6  O LYS A 13 ? O LYS AA 13 
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                   8Q2M 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 NZ AA LYS 5   ? ? 1_555 O1 A V53 108 ? ? 11_555 1.30 
2 1 CA B  GOA 111 ? ? 1_555 O2 B GOA 111 ? ? 4_545  1.42 
3 1 CA A  GOA 101 ? ? 1_555 O2 A GOA 101 ? ? 7_555  1.47 
4 1 CA B  GOA 111 ? ? 1_555 CA B GOA 111 ? ? 4_545  1.85 
5 1 O3 B  V4F 112 ? ? 1_555 O3 B V4F 112 ? ? 4_545  1.99 
# 
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 CD AA LYS 22  ? ? CE AA LYS 22  ? ? NZ AA LYS 22  ? ? 125.86 111.70 14.16  2.30 N 
2  1 CA A  V4F 102 ? ? C  A  V4F 102 ? ? N  A  V53 103 ? ? 70.49  117.20 -46.71 2.20 Y 
3  1 CA A  V53 103 ? ? C  A  V53 103 ? ? N  A  V4F 104 ? ? 85.52  117.20 -31.68 2.20 Y 
4  1 CA A  V4F 104 ? ? C  A  V4F 104 ? ? N  A  V53 105 ? ? 69.13  117.20 -48.07 2.20 Y 
5  1 CA A  V53 105 ? ? C  A  V53 105 ? ? N  A  V5F 106 ? ? 80.03  117.20 -37.17 2.20 Y 
6  1 CA A  V5F 106 ? ? C  A  V5F 106 ? ? N  A  V4F 107 ? ? 81.86  117.20 -35.34 2.20 Y 
7  1 CA A  V4F 107 ? ? C  A  V4F 107 ? ? N  A  V53 108 ? ? 60.61  117.20 -56.59 2.20 Y 
8  1 O  A  V4F 107 ? ? C  A  V4F 107 ? ? N  A  V53 108 ? ? 133.16 122.70 10.46  1.60 Y 
9  1 CA A  V53 108 ? ? C  A  V53 108 ? ? N  A  V4F 109 ? ? 81.02  117.20 -36.18 2.20 Y 
10 1 CA A  V4F 109 ? ? C  A  V4F 109 ? ? N  A  V53 110 ? ? 65.07  117.20 -52.13 2.20 Y 
11 1 CA B  V4F 112 ? ? C  B  V4F 112 ? ? N  B  V53 113 ? ? 70.91  117.20 -46.29 2.20 Y 
12 1 CA B  V53 113 ? ? C  B  V53 113 ? ? N  B  V4F 114 ? ? 84.47  117.20 -32.73 2.20 Y 
13 1 CA B  V4F 114 ? ? C  B  V4F 114 ? ? N  B  V53 115 ? ? 66.11  117.20 -51.09 2.20 Y 
14 1 CA B  V53 115 ? ? C  B  V53 115 ? ? N  B  V5F 116 ? ? 78.69  117.20 -38.51 2.20 Y 
15 1 O  B  V53 115 ? ? C  B  V53 115 ? ? N  B  V5F 116 ? ? 132.42 122.70 9.72   1.60 Y 
16 1 CA B  V4F 117 ? ? C  B  V4F 117 ? ? N  B  V53 118 ? ? 60.39  117.20 -56.81 2.20 Y 
17 1 CA B  V53 118 ? ? C  B  V53 118 ? ? N  B  V4F 119 ? ? 86.05  117.20 -31.15 2.20 Y 
18 1 CA B  V4F 119 ? ? C  B  V4F 119 ? ? N  B  V53 120 ? ? 67.40  117.20 -49.80 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 ? ? -106.87 -62.74  
2 1 ASN AA 37 ? ? 52.02   -133.30 
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   V5F 
_pdbx_validate_peptide_omega.auth_asym_id_1   B 
_pdbx_validate_peptide_omega.auth_seq_id_1    116 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   V4F 
_pdbx_validate_peptide_omega.auth_asym_id_2   B 
_pdbx_validate_peptide_omega.auth_seq_id_2    117 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            132.20 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1 1 ALA AA 61  ? ? -11.03 
2 1 V4F B  112 ? ? -20.72 
3 1 V4F B  114 ? ? -16.67 
4 1 V5F B  116 ? ? -28.14 
5 1 V4F B  117 ? ? -10.58 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A GOA 101 ? B GOA 1 
2 1 B GOA 111 ? 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 -9.02481071718 -18.0873798516 4.84833842633 1.05437863     ? 0.198241683723  ? -0.227603954484  ? 
1.37508881254 ? -0.206644673002  ? 0.433831009138 ? 0.0999663758486 ? -0.342995455806 ? -0.32898501411  ? 3.48272319615  ? 
0.44394927935   ? 1.25795000739 ? -0.694896398868  ? 0.363913521985  ? -0.460990087529  ? 0.833016759746  ? 0.579655465716 ? 
1.70858262627 ? -0.183266635758 ? -0.496528959117 ? -0.0932958242553 ? 
2 'X-RAY DIFFRACTION' ? refined -7.35411988024 -17.2017575238 6.43711309531 0.520974172855 ? 0.0672441135293 ? -0.0808463303852 ? 
1.52885300551 ? -0.0627835783503 ? 0.785957119723 ? 0.708827228729  ? -0.663436723525 ? -0.893641305065 ? 3.04191284804  ? 
-0.253642762988 ? 1.59649266596 ? 0.158027542216   ? -0.289438478514 ? -0.0135413918344 ? -0.48088740516  ? 0.200524788588 ? 
-1.067019296  ? 1.02945022046   ? -0.998787402871 ? 0.259240903027   ? 
3 'X-RAY DIFFRACTION' ? refined -9.44526313087 -4.73531007723 4.44172705742 1.07019891264  ? 0.0268119871568 ? 0.0484290175607  ? 
1.15988539135 ? 0.978293848153   ? 1.67238399669  ? 1.89941275645   ? 0.56169708603   ? 0.219122973094  ? 0.296951803044 ? 
0.210979729949  ? 0.18750790308 ? -0.0816887305396 ? 0.142738548963  ? 1.4969246619     ? -0.226528196412 ? 0.77161157302  ? 
1.74618367076 ? -0.466815449863 ? -1.04312171163  ? -0.0192538052943 ? 
# 
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 36 AA 36 ? ? 
;chain 'AA' and (resid 1 through 36 )
;
2 'X-RAY DIFFRACTION' 2 B 37 AA 37 ? B 51 AA 51 ? ? 
;chain 'AA' and (resid 37 through 51 )
;
3 'X-RAY DIFFRACTION' 3 B 52 AA 52 ? B 63 AA 63 ? ? 
;chain 'AA' and (resid 52 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 
ILE N    N N N 112 
ILE CA   C N S 113 
ILE C    C N N 114 
ILE O    O N N 115 
ILE CB   C N S 116 
ILE CG1  C N N 117 
ILE CG2  C N N 118 
ILE CD1  C N N 119 
ILE OXT  O N N 120 
ILE H    H N N 121 
ILE H2   H N N 122 
ILE HA   H N N 123 
ILE HB   H N N 124 
ILE HG12 H N N 125 
ILE HG13 H N N 126 
ILE HG21 H N N 127 
ILE HG22 H N N 128 
ILE HG23 H N N 129 
ILE HD11 H N N 130 
ILE HD12 H N N 131 
ILE HD13 H N N 132 
ILE HXT  H N N 133 
LEU N    N N N 134 
LEU CA   C N S 135 
LEU C    C N N 136 
LEU O    O N N 137 
LEU CB   C N N 138 
LEU CG   C N N 139 
LEU CD1  C N N 140 
LEU CD2  C N N 141 
LEU OXT  O N N 142 
LEU H    H N N 143 
LEU H2   H N N 144 
LEU HA   H N N 145 
LEU HB2  H N N 146 
LEU HB3  H N N 147 
LEU HG   H N N 148 
LEU HD11 H N N 149 
LEU HD12 H N N 150 
LEU HD13 H N N 151 
LEU HD21 H N N 152 
LEU HD22 H N N 153 
LEU HD23 H N N 154 
LEU HXT  H N N 155 
LYS N    N N N 156 
LYS CA   C N S 157 
LYS C    C N N 158 
LYS O    O N N 159 
LYS CB   C N N 160 
LYS CG   C N N 161 
LYS CD   C N N 162 
LYS CE   C N N 163 
LYS NZ   N N N 164 
LYS OXT  O N N 165 
LYS H    H N N 166 
LYS H2   H N N 167 
LYS HA   H N N 168 
LYS HB2  H N N 169 
LYS HB3  H N N 170 
LYS HG2  H N N 171 
LYS HG3  H N N 172 
LYS HD2  H N N 173 
LYS HD3  H N N 174 
LYS HE2  H N N 175 
LYS HE3  H N N 176 
LYS HZ1  H N N 177 
LYS HZ2  H N N 178 
LYS HZ3  H N N 179 
LYS HXT  H N N 180 
MET N    N N N 181 
MET CA   C N S 182 
MET C    C N N 183 
MET O    O N N 184 
MET CB   C N N 185 
MET CG   C N N 186 
MET SD   S N N 187 
MET CE   C N N 188 
MET OXT  O N N 189 
MET H    H N N 190 
MET H2   H N N 191 
MET HA   H N N 192 
MET HB2  H N N 193 
MET HB3  H N N 194 
MET HG2  H N N 195 
MET HG3  H N N 196 
MET HE1  H N N 197 
MET HE2  H N N 198 
MET HE3  H N N 199 
MET HXT  H N N 200 
PHE N    N N N 201 
PHE CA   C N S 202 
PHE C    C N N 203 
PHE O    O N N 204 
PHE CB   C N N 205 
PHE CG   C Y N 206 
PHE CD1  C Y N 207 
PHE CD2  C Y N 208 
PHE CE1  C Y N 209 
PHE CE2  C Y N 210 
PHE CZ   C Y N 211 
PHE OXT  O N N 212 
PHE H    H N N 213 
PHE H2   H N N 214 
PHE HA   H N N 215 
PHE HB2  H N N 216 
PHE HB3  H N N 217 
PHE HD1  H N N 218 
PHE HD2  H N N 219 
PHE HE1  H N N 220 
PHE HE2  H N N 221 
PHE HZ   H N N 222 
PHE HXT  H N N 223 
PRO N    N N N 224 
PRO CA   C N S 225 
PRO C    C N N 226 
PRO O    O N N 227 
PRO CB   C N N 228 
PRO CG   C N N 229 
PRO CD   C N N 230 
PRO OXT  O N N 231 
PRO H    H N N 232 
PRO HA   H N N 233 
PRO HB2  H N N 234 
PRO HB3  H N N 235 
PRO HG2  H N N 236 
PRO HG3  H N N 237 
PRO HD2  H N N 238 
PRO HD3  H N N 239 
PRO HXT  H N N 240 
SER N    N N N 241 
SER CA   C N S 242 
SER C    C N N 243 
SER O    O N N 244 
SER CB   C N N 245 
SER OG   O N N 246 
SER OXT  O N N 247 
SER H    H N N 248 
SER H2   H N N 249 
SER HA   H N N 250 
SER HB2  H N N 251 
SER HB3  H N N 252 
SER HG   H N N 253 
SER HXT  H N N 254 
THR N    N N N 255 
THR CA   C N S 256 
THR C    C N N 257 
THR O    O N N 258 
THR CB   C N R 259 
THR OG1  O N N 260 
THR CG2  C N N 261 
THR OXT  O N N 262 
THR H    H N N 263 
THR H2   H N N 264 
THR HA   H N N 265 
THR HB   H N N 266 
THR HG1  H N N 267 
THR HG21 H N N 268 
THR HG22 H N N 269 
THR HG23 H N N 270 
THR HXT  H N N 271 
TRP N    N N N 272 
TRP CA   C N S 273 
TRP C    C N N 274 
TRP O    O N N 275 
TRP CB   C N N 276 
TRP CG   C Y N 277 
TRP CD1  C Y N 278 
TRP CD2  C Y N 279 
TRP NE1  N Y N 280 
TRP CE2  C Y N 281 
TRP CE3  C Y N 282 
TRP CZ2  C Y N 283 
TRP CZ3  C Y N 284 
TRP CH2  C Y N 285 
TRP OXT  O N N 286 
TRP H    H N N 287 
TRP H2   H N N 288 
TRP HA   H N N 289 
TRP HB2  H N N 290 
TRP HB3  H N N 291 
TRP HD1  H N N 292 
TRP HE1  H N N 293 
TRP HE3  H N N 294 
TRP HZ2  H N N 295 
TRP HZ3  H N N 296 
TRP HH2  H N N 297 
TRP HXT  H N N 298 
TYR N    N N N 299 
TYR CA   C N S 300 
TYR C    C N N 301 
TYR O    O N N 302 
TYR CB   C N N 303 
TYR CG   C Y N 304 
TYR CD1  C Y N 305 
TYR CD2  C Y N 306 
TYR CE1  C Y N 307 
TYR CE2  C Y N 308 
TYR CZ   C Y N 309 
TYR OH   O N N 310 
TYR OXT  O N N 311 
TYR H    H N N 312 
TYR H2   H N N 313 
TYR HA   H N N 314 
TYR HB2  H N N 315 
TYR HB3  H N N 316 
TYR HD1  H N N 317 
TYR HD2  H N N 318 
TYR HE1  H N N 319 
TYR HE2  H N N 320 
TYR HH   H N N 321 
TYR HXT  H N N 322 
V4F C    C N N 323 
V4F CAF  C Y N 324 
V4F CAD  C Y N 325 
V4F CAE  C Y N 326 
V4F CAL  C Y N 327 
V4F CAM  C Y N 328 
V4F CAJ  C Y N 329 
V4F CAK  C Y N 330 
V4F CAG  C Y N 331 
V4F CAI  C Y N 332 
V4F C01  C N N 333 
V4F CA   C N N 334 
V4F NAH  N Y N 335 
V4F N    N N N 336 
V4F O    O N N 337 
V4F O01  O N N 338 
V4F O3   O N N 339 
V4F O2   O N N 340 
V4F O1   O N N 341 
V4F P    P N N 342 
V4F HAD  H N N 343 
V4F HAK  H N N 344 
V4F HAG  H N N 345 
V4F HAI  H N N 346 
V4F H3   H N N 347 
V4F HA1  H N N 348 
V4F HA2  H N N 349 
V4F H    H N N 350 
V4F H2   H N N 351 
V4F HPO3 H N N 352 
V4F HPO2 H N N 353 
V4F OXT  O N N 354 
V4F H1   H N N 355 
V4F HXT  H N N 356 
V53 C    C N N 357 
V53 CAF  C Y N 358 
V53 CAD  C Y N 359 
V53 CAJ  C Y N 360 
V53 CAL  C Y N 361 
V53 CAM  C Y N 362 
V53 CA   C Y N 363 
V53 CAK  C Y N 364 
V53 CAG  C Y N 365 
V53 CAI  C Y N 366 
V53 C01  C N N 367 
V53 NAH  N Y N 368 
V53 N    N N N 369 
V53 O    O N N 370 
V53 O01  O N N 371 
V53 O1   O N N 372 
V53 O2   O N N 373 
V53 O3   O N N 374 
V53 P    P N N 375 
V53 HAK  H N N 376 
V53 HAG  H N N 377 
V53 HAI  H N N 378 
V53 H    H N N 379 
V53 H2   H N N 380 
V53 OXT  O N N 381 
V53 HXT  H N N 382 
V53 HAD  H N N 383 
V53 HPO2 H N N 384 
V53 HPO3 H N N 385 
V53 H1   H N N 386 
V53 H3   H N N 387 
V5F C    C N N 388 
V5F C6   C N R 389 
V5F C2   C Y N 390 
V5F C1   C Y N 391 
V5F CA   C Y N 392 
V5F C5   C Y N 393 
V5F C4   C Y N 394 
V5F C3   C Y N 395 
V5F CB   C N N 396 
V5F N    N N N 397 
V5F O    O N N 398 
V5F O1   O N N 399 
V5F H6   H N N 400 
V5F H5   H N N 401 
V5F H4   H N N 402 
V5F H1   H N N 403 
V5F H3   H N N 404 
V5F HB1  H N N 405 
V5F HB2  H N N 406 
V5F HB3  H N N 407 
V5F H    H N N 408 
V5F OXT  O N N 409 
V5F HXT  H N N 410 
V5F H2   H N N 411 
VAL N    N N N 412 
VAL CA   C N S 413 
VAL C    C N N 414 
VAL O    O N N 415 
VAL CB   C N N 416 
VAL CG1  C N N 417 
VAL CG2  C N N 418 
VAL OXT  O N N 419 
VAL H    H N N 420 
VAL H2   H N N 421 
VAL HA   H N N 422 
VAL HB   H N N 423 
VAL HG11 H N N 424 
VAL HG12 H N N 425 
VAL HG13 H N N 426 
VAL HG21 H N N 427 
VAL HG22 H N N 428 
VAL HG23 H N N 429 
VAL HXT  H N N 430 
# 
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 
ILE N   CA   sing N N 105 
ILE N   H    sing N N 106 
ILE N   H2   sing N N 107 
ILE CA  C    sing N N 108 
ILE CA  CB   sing N N 109 
ILE CA  HA   sing N N 110 
ILE C   O    doub N N 111 
ILE C   OXT  sing N N 112 
ILE CB  CG1  sing N N 113 
ILE CB  CG2  sing N N 114 
ILE CB  HB   sing N N 115 
ILE CG1 CD1  sing N N 116 
ILE CG1 HG12 sing N N 117 
ILE CG1 HG13 sing N N 118 
ILE CG2 HG21 sing N N 119 
ILE CG2 HG22 sing N N 120 
ILE CG2 HG23 sing N N 121 
ILE CD1 HD11 sing N N 122 
ILE CD1 HD12 sing N N 123 
ILE CD1 HD13 sing N N 124 
ILE OXT HXT  sing N N 125 
LEU N   CA   sing N N 126 
LEU N   H    sing N N 127 
LEU N   H2   sing N N 128 
LEU CA  C    sing N N 129 
LEU CA  CB   sing N N 130 
LEU CA  HA   sing N N 131 
LEU C   O    doub N N 132 
LEU C   OXT  sing N N 133 
LEU CB  CG   sing N N 134 
LEU CB  HB2  sing N N 135 
LEU CB  HB3  sing N N 136 
LEU CG  CD1  sing N N 137 
LEU CG  CD2  sing N N 138 
LEU CG  HG   sing N N 139 
LEU CD1 HD11 sing N N 140 
LEU CD1 HD12 sing N N 141 
LEU CD1 HD13 sing N N 142 
LEU CD2 HD21 sing N N 143 
LEU CD2 HD22 sing N N 144 
LEU CD2 HD23 sing N N 145 
LEU OXT HXT  sing N N 146 
LYS N   CA   sing N N 147 
LYS N   H    sing N N 148 
LYS N   H2   sing N N 149 
LYS CA  C    sing N N 150 
LYS CA  CB   sing N N 151 
LYS CA  HA   sing N N 152 
LYS C   O    doub N N 153 
LYS C   OXT  sing N N 154 
LYS CB  CG   sing N N 155 
LYS CB  HB2  sing N N 156 
LYS CB  HB3  sing N N 157 
LYS CG  CD   sing N N 158 
LYS CG  HG2  sing N N 159 
LYS CG  HG3  sing N N 160 
LYS CD  CE   sing N N 161 
LYS CD  HD2  sing N N 162 
LYS CD  HD3  sing N N 163 
LYS CE  NZ   sing N N 164 
LYS CE  HE2  sing N N 165 
LYS CE  HE3  sing N N 166 
LYS NZ  HZ1  sing N N 167 
LYS NZ  HZ2  sing N N 168 
LYS NZ  HZ3  sing N N 169 
LYS OXT HXT  sing N N 170 
MET N   CA   sing N N 171 
MET N   H    sing N N 172 
MET N   H2   sing N N 173 
MET CA  C    sing N N 174 
MET CA  CB   sing N N 175 
MET CA  HA   sing N N 176 
MET C   O    doub N N 177 
MET C   OXT  sing N N 178 
MET CB  CG   sing N N 179 
MET CB  HB2  sing N N 180 
MET CB  HB3  sing N N 181 
MET CG  SD   sing N N 182 
MET CG  HG2  sing N N 183 
MET CG  HG3  sing N N 184 
MET SD  CE   sing N N 185 
MET CE  HE1  sing N N 186 
MET CE  HE2  sing N N 187 
MET CE  HE3  sing N N 188 
MET OXT HXT  sing N N 189 
PHE N   CA   sing N N 190 
PHE N   H    sing N N 191 
PHE N   H2   sing N N 192 
PHE CA  C    sing N N 193 
PHE CA  CB   sing N N 194 
PHE CA  HA   sing N N 195 
PHE C   O    doub N N 196 
PHE C   OXT  sing N N 197 
PHE CB  CG   sing N N 198 
PHE CB  HB2  sing N N 199 
PHE CB  HB3  sing N N 200 
PHE CG  CD1  doub Y N 201 
PHE CG  CD2  sing Y N 202 
PHE CD1 CE1  sing Y N 203 
PHE CD1 HD1  sing N N 204 
PHE CD2 CE2  doub Y N 205 
PHE CD2 HD2  sing N N 206 
PHE CE1 CZ   doub Y N 207 
PHE CE1 HE1  sing N N 208 
PHE CE2 CZ   sing Y N 209 
PHE CE2 HE2  sing N N 210 
PHE CZ  HZ   sing N N 211 
PHE OXT HXT  sing N N 212 
PRO N   CA   sing N N 213 
PRO N   CD   sing N N 214 
PRO N   H    sing N N 215 
PRO CA  C    sing N N 216 
PRO CA  CB   sing N N 217 
PRO CA  HA   sing N N 218 
PRO C   O    doub N N 219 
PRO C   OXT  sing N N 220 
PRO CB  CG   sing N N 221 
PRO CB  HB2  sing N N 222 
PRO CB  HB3  sing N N 223 
PRO CG  CD   sing N N 224 
PRO CG  HG2  sing N N 225 
PRO CG  HG3  sing N N 226 
PRO CD  HD2  sing N N 227 
PRO CD  HD3  sing N N 228 
PRO OXT HXT  sing N N 229 
SER N   CA   sing N N 230 
SER N   H    sing N N 231 
SER N   H2   sing N N 232 
SER CA  C    sing N N 233 
SER CA  CB   sing N N 234 
SER CA  HA   sing N N 235 
SER C   O    doub N N 236 
SER C   OXT  sing N N 237 
SER CB  OG   sing N N 238 
SER CB  HB2  sing N N 239 
SER CB  HB3  sing N N 240 
SER OG  HG   sing N N 241 
SER OXT HXT  sing N N 242 
THR N   CA   sing N N 243 
THR N   H    sing N N 244 
THR N   H2   sing N N 245 
THR CA  C    sing N N 246 
THR CA  CB   sing N N 247 
THR CA  HA   sing N N 248 
THR C   O    doub N N 249 
THR C   OXT  sing N N 250 
THR CB  OG1  sing N N 251 
THR CB  CG2  sing N N 252 
THR CB  HB   sing N N 253 
THR OG1 HG1  sing N N 254 
THR CG2 HG21 sing N N 255 
THR CG2 HG22 sing N N 256 
THR CG2 HG23 sing N N 257 
THR OXT HXT  sing N N 258 
TRP N   CA   sing N N 259 
TRP N   H    sing N N 260 
TRP N   H2   sing N N 261 
TRP CA  C    sing N N 262 
TRP CA  CB   sing N N 263 
TRP CA  HA   sing N N 264 
TRP C   O    doub N N 265 
TRP C   OXT  sing N N 266 
TRP CB  CG   sing N N 267 
TRP CB  HB2  sing N N 268 
TRP CB  HB3  sing N N 269 
TRP CG  CD1  doub Y N 270 
TRP CG  CD2  sing Y N 271 
TRP CD1 NE1  sing Y N 272 
TRP CD1 HD1  sing N N 273 
TRP CD2 CE2  doub Y N 274 
TRP CD2 CE3  sing Y N 275 
TRP NE1 CE2  sing Y N 276 
TRP NE1 HE1  sing N N 277 
TRP CE2 CZ2  sing Y N 278 
TRP CE3 CZ3  doub Y N 279 
TRP CE3 HE3  sing N N 280 
TRP CZ2 CH2  doub Y N 281 
TRP CZ2 HZ2  sing N N 282 
TRP CZ3 CH2  sing Y N 283 
TRP CZ3 HZ3  sing N N 284 
TRP CH2 HH2  sing N N 285 
TRP OXT HXT  sing N N 286 
TYR N   CA   sing N N 287 
TYR N   H    sing N N 288 
TYR N   H2   sing N N 289 
TYR CA  C    sing N N 290 
TYR CA  CB   sing N N 291 
TYR CA  HA   sing N N 292 
TYR C   O    doub N N 293 
TYR C   OXT  sing N N 294 
TYR CB  CG   sing N N 295 
TYR CB  HB2  sing N N 296 
TYR CB  HB3  sing N N 297 
TYR CG  CD1  doub Y N 298 
TYR CG  CD2  sing Y N 299 
TYR CD1 CE1  sing Y N 300 
TYR CD1 HD1  sing N N 301 
TYR CD2 CE2  doub Y N 302 
TYR CD2 HD2  sing N N 303 
TYR CE1 CZ   doub Y N 304 
TYR CE1 HE1  sing N N 305 
TYR CE2 CZ   sing Y N 306 
TYR CE2 HE2  sing N N 307 
TYR CZ  OH   sing N N 308 
TYR OH  HH   sing N N 309 
TYR OXT HXT  sing N N 310 
V4F CAK CAG  doub Y N 311 
V4F CAK CAJ  sing Y N 312 
V4F CA  CAJ  sing N N 313 
V4F CA  N    sing N N 314 
V4F CAG CAI  sing Y N 315 
V4F CAJ CAM  doub Y N 316 
V4F CAI CAL  doub Y N 317 
V4F CAM CAL  sing Y N 318 
V4F CAM NAH  sing Y N 319 
V4F CAL CAF  sing Y N 320 
V4F NAH CAE  doub Y N 321 
V4F CAF O01  sing N N 322 
V4F CAF CAD  doub Y N 323 
V4F O1  P    doub N N 324 
V4F O01 C01  sing N N 325 
V4F CAE CAD  sing Y N 326 
V4F CAE C    sing N N 327 
V4F C   O    doub N N 328 
V4F P   C01  sing N N 329 
V4F P   O3   sing N N 330 
V4F P   O2   sing N N 331 
V4F CAD HAD  sing N N 332 
V4F CAK HAK  sing N N 333 
V4F CAG HAG  sing N N 334 
V4F CAI HAI  sing N N 335 
V4F C01 H3   sing N N 336 
V4F CA  HA1  sing N N 337 
V4F CA  HA2  sing N N 338 
V4F N   H    sing N N 339 
V4F N   H2   sing N N 340 
V4F O3  HPO3 sing N N 341 
V4F O2  HPO2 sing N N 342 
V4F C   OXT  sing N N 343 
V4F C01 H1   sing N N 344 
V4F OXT HXT  sing N N 345 
V53 O   C    doub N N 346 
V53 C   CAJ  sing N N 347 
V53 CAJ CAD  doub Y N 348 
V53 CAJ NAH  sing Y N 349 
V53 O1  P    doub N N 350 
V53 CAD CAF  sing Y N 351 
V53 C01 P    sing N N 352 
V53 C01 O01  sing N N 353 
V53 NAH CAM  doub Y N 354 
V53 P   O3   sing N N 355 
V53 P   O2   sing N N 356 
V53 CAF O01  sing N N 357 
V53 CAF CAL  doub Y N 358 
V53 CAM CAL  sing Y N 359 
V53 CAM CA   sing Y N 360 
V53 CAL CAI  sing Y N 361 
V53 N   CA   sing N N 362 
V53 CA  CAK  doub Y N 363 
V53 CAI CAG  doub Y N 364 
V53 CAK CAG  sing Y N 365 
V53 CAK HAK  sing N N 366 
V53 CAG HAG  sing N N 367 
V53 CAI HAI  sing N N 368 
V53 N   H    sing N N 369 
V53 C   OXT  sing N N 370 
V53 OXT HXT  sing N N 371 
V53 H2  N    sing N N 372 
V53 CAD HAD  sing N N 373 
V53 O2  HPO2 sing N N 374 
V53 O3  HPO3 sing N N 375 
V53 C01 H1   sing N N 376 
V53 C01 H3   sing N N 377 
V5F C3  C2   doub Y N 378 
V5F C3  C4   sing Y N 379 
V5F C2  C1   sing Y N 380 
V5F C4  C5   doub Y N 381 
V5F CB  C6   sing N N 382 
V5F C6  O1   sing N N 383 
V5F C6  C    sing N N 384 
V5F C1  CA   doub Y N 385 
V5F C1  O1   sing N N 386 
V5F C5  CA   sing Y N 387 
V5F O   C    doub N N 388 
V5F CA  N    sing N N 389 
V5F C6  H6   sing N N 390 
V5F C2  H5   sing N N 391 
V5F C5  H4   sing N N 392 
V5F C4  H1   sing N N 393 
V5F C3  H3   sing N N 394 
V5F CB  HB1  sing N N 395 
V5F CB  HB2  sing N N 396 
V5F CB  HB3  sing N N 397 
V5F N   H    sing N N 398 
V5F C   OXT  sing N N 399 
V5F OXT HXT  sing N N 400 
V5F N   H2   sing N N 401 
VAL N   CA   sing N N 402 
VAL N   H    sing N N 403 
VAL N   H2   sing N N 404 
VAL CA  C    sing N N 405 
VAL CA  CB   sing N N 406 
VAL CA  HA   sing N N 407 
VAL C   O    doub N N 408 
VAL C   OXT  sing N N 409 
VAL CB  CG1  sing N N 410 
VAL CB  CG2  sing N N 411 
VAL CB  HB   sing N N 412 
VAL CG1 HG11 sing N N 413 
VAL CG1 HG12 sing N N 414 
VAL CG1 HG13 sing N N 415 
VAL CG2 HG21 sing N N 416 
VAL CG2 HG22 sing N N 417 
VAL CG2 HG23 sing N N 418 
VAL OXT HXT  sing N N 419 
# 
_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   8CMN 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 64 2 2' 
_space_group.name_Hall        'P 64 2 (x,y,z+1/6)' 
_space_group.IT_number        181 
_space_group.crystal_system   hexagonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8Q2M 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.014100 
_atom_sites.fract_transf_matrix[1][2]   0.008141 
_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]   0.016282 
_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]   0.008383 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 6.96715 ?       ? ? 11.43723 ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 7.96527 ?       ? ? 9.05267  ?        ? ? 0.0 
;1-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
P ? ? 9.51135 5.44231 ? ? 1.42069  35.72801 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . MET A 1 1  ? -11.43139 -12.34198 -6.81129 1.000 145.24582 ? 1   MET AA N   1 
ATOM   2   C CA  . MET A 1 1  ? -10.72023 -13.48676 -7.38019 1.000 148.69392 ? 1   MET AA CA  1 
ATOM   3   C C   . MET A 1 1  ? -9.29381  -13.65946 -6.81270 1.000 157.57057 ? 1   MET AA C   1 
ATOM   4   O O   . MET A 1 1  ? -8.34324  -13.97052 -7.51685 1.000 160.18562 ? 1   MET AA O   1 
ATOM   5   C CB  . MET A 1 1  ? -10.76717 -13.40775 -8.91951 1.000 141.14095 ? 1   MET AA CB  1 
ATOM   6   C CG  . MET A 1 1  ? -9.87627  -14.38817 -9.74376 1.000 147.38103 ? 1   MET AA CG  1 
ATOM   7   S SD  . MET A 1 1  ? -9.55974  -15.99910 -9.03471 1.000 164.57341 ? 1   MET AA SD  1 
ATOM   8   C CE  . MET A 1 1  ? -11.21989 -16.54914 -8.65777 1.000 154.96314 ? 1   MET AA CE  1 
ATOM   9   N N   . VAL A 1 2  ? -9.15240  -13.59417 -5.49966 1.000 153.13333 ? 2   VAL AA N   1 
ATOM   10  C CA  . VAL A 1 2  ? -7.85267  -13.76489 -4.87221 1.000 147.47990 ? 2   VAL AA CA  1 
ATOM   11  C C   . VAL A 1 2  ? -7.88511  -15.04138 -4.05002 1.000 148.64779 ? 2   VAL AA C   1 
ATOM   12  O O   . VAL A 1 2  ? -8.90849  -15.35333 -3.44854 1.000 150.88237 ? 2   VAL AA O   1 
ATOM   13  C CB  . VAL A 1 2  ? -7.50097  -12.53520 -4.02287 1.000 154.63552 ? 2   VAL AA CB  1 
ATOM   14  C CG1 . VAL A 1 2  ? -6.12778  -12.69976 -3.37721 1.000 153.31317 ? 2   VAL AA CG1 1 
ATOM   15  C CG2 . VAL A 1 2  ? -7.57743  -11.31116 -4.90778 1.000 154.35340 ? 2   VAL AA CG2 1 
ATOM   16  N N   . LYS A 1 3  ? -6.83653  -15.83657 -4.14696 1.000 152.12577 ? 3   LYS AA N   1 
ATOM   17  C CA  . LYS A 1 3  ? -6.78484  -17.13714 -3.50680 1.000 151.90565 ? 3   LYS AA CA  1 
ATOM   18  C C   . LYS A 1 3  ? -5.90346  -17.08580 -2.26195 1.000 149.18469 ? 3   LYS AA C   1 
ATOM   19  O O   . LYS A 1 3  ? -4.78467  -16.54372 -2.27518 1.000 146.88785 ? 3   LYS AA O   1 
ATOM   20  C CB  . LYS A 1 3  ? -6.22979  -18.18600 -4.45086 1.000 149.71770 ? 3   LYS AA CB  1 
ATOM   21  C CG  . LYS A 1 3  ? -5.57889  -19.25738 -3.65971 1.000 154.96644 ? 3   LYS AA CG  1 
ATOM   22  C CD  . LYS A 1 3  ? -4.80053  -20.11843 -4.50041 1.000 146.82453 ? 3   LYS AA CD  1 
ATOM   23  C CE  . LYS A 1 3  ? -5.62806  -20.68597 -5.58661 1.000 144.13016 ? 3   LYS AA CE  1 
ATOM   24  N NZ  . LYS A 1 3  ? -5.19941  -22.09487 -5.78381 1.000 148.03730 ? 3   LYS AA NZ  1 
ATOM   25  N N   . VAL A 1 4  ? -6.42655  -17.64932 -1.17841 1.000 141.83847 ? 4   VAL AA N   1 
ATOM   26  C CA  . VAL A 1 4  ? -5.71464  -17.72140 0.08672  1.000 141.04130 ? 4   VAL AA CA  1 
ATOM   27  C C   . VAL A 1 4  ? -5.33952  -19.14640 0.44887  1.000 149.20478 ? 4   VAL AA C   1 
ATOM   28  O O   . VAL A 1 4  ? -6.22516  -19.99112 0.67073  1.000 146.87965 ? 4   VAL AA O   1 
ATOM   29  C CB  . VAL A 1 4  ? -6.53865  -17.11196 1.20879  1.000 138.71345 ? 4   VAL AA CB  1 
ATOM   30  C CG1 . VAL A 1 4  ? -5.78540  -17.26227 2.51267  1.000 148.16458 ? 4   VAL AA CG1 1 
ATOM   31  C CG2 . VAL A 1 4  ? -6.79521  -15.68735 0.86275  1.000 139.97930 ? 4   VAL AA CG2 1 
ATOM   32  N N   . LYS A 1 5  ? -4.03830  -19.37550 0.60120  1.000 149.35588 ? 5   LYS AA N   1 
ATOM   33  C CA  . LYS A 1 5  ? -3.48952  -20.66281 0.98229  1.000 142.57087 ? 5   LYS AA CA  1 
ATOM   34  C C   . LYS A 1 5  ? -3.09826  -20.63855 2.44540  1.000 131.40618 ? 5   LYS AA C   1 
ATOM   35  O O   . LYS A 1 5  ? -2.19954  -19.89328 2.84083  1.000 127.99449 ? 5   LYS AA O   1 
ATOM   36  C CB  . LYS A 1 5  ? -2.31699  -20.95128 0.06183  1.000 145.70167 ? 5   LYS AA CB  1 
ATOM   37  C CG  . LYS A 1 5  ? -2.50160  -20.38423 -1.36851 1.000 142.13773 ? 5   LYS AA CG  1 
ATOM   38  C CD  . LYS A 1 5  ? -1.49595  -20.97184 -2.34011 1.000 142.12364 ? 5   LYS AA CD  1 
ATOM   39  C CE  . LYS A 1 5  ? -1.88484  -20.85373 -3.78076 1.000 137.99907 ? 5   LYS AA CE  1 
ATOM   40  N NZ  . LYS A 1 5  ? -0.85645  -21.36656 -4.68943 1.000 139.57718 ? 5   LYS AA NZ  1 
ATOM   41  N N   . PHE A 1 6  ? -3.78103  -21.44325 3.24116  1.000 137.09426 ? 6   PHE AA N   1 
ATOM   42  C CA  . PHE A 1 6  ? -3.63458  -21.40807 4.68210  1.000 140.76309 ? 6   PHE AA CA  1 
ATOM   43  C C   . PHE A 1 6  ? -3.57567  -22.79574 5.27145  1.000 144.88581 ? 6   PHE AA C   1 
ATOM   44  O O   . PHE A 1 6  ? -4.01572  -23.75818 4.66297  1.000 149.80130 ? 6   PHE AA O   1 
ATOM   45  C CB  . PHE A 1 6  ? -4.77866  -20.71974 5.36625  1.000 141.08401 ? 6   PHE AA CB  1 
ATOM   46  C CG  . PHE A 1 6  ? -6.05619  -21.41224 5.18972  1.000 146.71688 ? 6   PHE AA CG  1 
ATOM   47  C CD1 . PHE A 1 6  ? -6.70920  -21.33638 3.98838  1.000 148.45429 ? 6   PHE AA CD1 1 
ATOM   48  C CD2 . PHE A 1 6  ? -6.62628  -22.12502 6.23287  1.000 145.19211 ? 6   PHE AA CD2 1 
ATOM   49  C CE1 . PHE A 1 6  ? -7.88430  -21.99985 3.78909  1.000 148.97464 ? 6   PHE AA CE1 1 
ATOM   50  C CE2 . PHE A 1 6  ? -7.82579  -22.77327 6.03986  1.000 146.23290 ? 6   PHE AA CE2 1 
ATOM   51  C CZ  . PHE A 1 6  ? -8.44745  -22.68878 4.81958  1.000 150.34042 ? 6   PHE AA CZ  1 
ATOM   52  N N   . LYS A 1 7  ? -3.03492  -22.89913 6.45790  1.000 140.14017 ? 7   LYS AA N   1 
ATOM   53  C CA  . LYS A 1 7  ? -2.96755  -24.16951 7.14718  1.000 143.66192 ? 7   LYS AA CA  1 
ATOM   54  C C   . LYS A 1 7  ? -4.03703  -24.18755 8.23040  1.000 139.94132 ? 7   LYS AA C   1 
ATOM   55  O O   . LYS A 1 7  ? -4.12511  -23.24783 9.01725  1.000 128.28834 ? 7   LYS AA O   1 
ATOM   56  C CB  . LYS A 1 7  ? -1.56478  -24.36544 7.69159  1.000 134.49702 ? 7   LYS AA CB  1 
ATOM   57  C CG  . LYS A 1 7  ? -1.22911  -25.80213 7.91400  1.000 138.13882 ? 7   LYS AA CG  1 
ATOM   58  C CD  . LYS A 1 7  ? 0.20276   -26.02997 7.56301  1.000 134.68493 ? 7   LYS AA CD  1 
ATOM   59  C CE  . LYS A 1 7  ? 0.73854   -27.24131 8.26052  1.000 121.88554 ? 7   LYS AA CE  1 
ATOM   60  N NZ  . LYS A 1 7  ? 2.14129   -27.40641 7.85623  1.000 118.58415 ? 7   LYS AA NZ  1 
ATOM   61  N N   . TYR A 1 8  ? -4.92274  -25.18129 8.17418  1.000 143.91562 ? 8   TYR AA N   1 
ATOM   62  C CA  . TYR A 1 8  ? -5.95328  -25.42933 9.18671  1.000 143.48130 ? 8   TYR AA CA  1 
ATOM   63  C C   . TYR A 1 8  ? -5.64211  -26.77275 9.82981  1.000 142.18547 ? 8   TYR AA C   1 
ATOM   64  O O   . TYR A 1 8  ? -5.77943  -27.83199 9.19213  1.000 150.88202 ? 8   TYR AA O   1 
ATOM   65  C CB  . TYR A 1 8  ? -7.37074  -25.44773 8.59675  1.000 148.18309 ? 8   TYR AA CB  1 
ATOM   66  N N   . LYS A 1 9  ? -5.30241  -26.71722 11.11949 1.000 141.47652 ? 9   LYS AA N   1 
ATOM   67  C CA  . LYS A 1 9  ? -4.96440  -27.88199 11.93251 1.000 142.57610 ? 9   LYS AA CA  1 
ATOM   68  C C   . LYS A 1 9  ? -3.87926  -28.75000 11.26194 1.000 143.48558 ? 9   LYS AA C   1 
ATOM   69  O O   . LYS A 1 9  ? -3.85513  -29.98011 11.42233 1.000 148.10597 ? 9   LYS AA O   1 
ATOM   70  C CB  . LYS A 1 9  ? -6.21605  -28.69819 12.23788 1.000 148.74299 ? 9   LYS AA CB  1 
ATOM   71  N N   . GLY A 1 10 ? -2.94805  -28.11199 10.52799 1.000 142.13082 ? 10  GLY AA N   1 
ATOM   72  C CA  . GLY A 1 10 ? -1.85379  -28.77600 9.84705  1.000 140.87556 ? 10  GLY AA CA  1 
ATOM   73  C C   . GLY A 1 10 ? -2.17117  -29.24864 8.47275  1.000 148.94416 ? 10  GLY AA C   1 
ATOM   74  O O   . GLY A 1 10 ? -1.28983  -29.80550 7.81266  1.000 149.12799 ? 10  GLY AA O   1 
ATOM   75  N N   . GLU A 1 11 ? -3.38544  -29.02237 8.01860  1.000 153.08043 ? 11  GLU AA N   1 
ATOM   76  C CA  . GLU A 1 11 ? -3.79445  -29.41076 6.69568  1.000 158.97272 ? 11  GLU AA CA  1 
ATOM   77  C C   . GLU A 1 11 ? -3.83234  -28.17293 5.81646  1.000 157.99632 ? 11  GLU AA C   1 
ATOM   78  O O   . GLU A 1 11 ? -4.34908  -27.12555 6.22444  1.000 162.19164 ? 11  GLU AA O   1 
ATOM   79  C CB  . GLU A 1 11 ? -5.16146  -30.04887 6.75625  1.000 162.79377 ? 11  GLU AA CB  1 
ATOM   80  C CG  . GLU A 1 11 ? -5.79603  -30.12888 5.43554  1.000 165.27731 ? 11  GLU AA CG  1 
ATOM   81  C CD  . GLU A 1 11 ? -7.24776  -30.45293 5.55384  1.000 185.47602 ? 11  GLU AA CD  1 
ATOM   82  O OE1 . GLU A 1 11 ? -7.73303  -30.65382 6.68899  1.000 180.40057 ? 11  GLU AA OE1 1 
ATOM   83  O OE2 . GLU A 1 11 ? -7.90356  -30.46277 4.50005  1.000 211.60560 ? 11  GLU AA OE2 1 
ATOM   84  N N   . GLU A 1 12 ? -3.20895  -28.27028 4.65297  1.000 164.91179 ? 12  GLU AA N   1 
ATOM   85  C CA  . GLU A 1 12 ? -3.24348  -27.15596 3.73235  1.000 162.10081 ? 12  GLU AA CA  1 
ATOM   86  C C   . GLU A 1 12 ? -4.62334  -27.04992 3.13199  1.000 158.98556 ? 12  GLU AA C   1 
ATOM   87  O O   . GLU A 1 12 ? -5.18888  -28.03697 2.66588  1.000 158.60273 ? 12  GLU AA O   1 
ATOM   88  C CB  . GLU A 1 12 ? -2.17687  -27.30121 2.66377  1.000 159.91791 ? 12  GLU AA CB  1 
ATOM   89  C CG  . GLU A 1 12 ? -0.79359  -26.93391 3.17285  1.000 160.01884 ? 12  GLU AA CG  1 
ATOM   90  C CD  . GLU A 1 12 ? -0.69447  -25.51849 3.73430  1.000 166.90717 ? 12  GLU AA CD  1 
ATOM   91  O OE1 . GLU A 1 12 ? -1.57802  -24.66622 3.46687  1.000 164.67315 ? 12  GLU AA OE1 1 
ATOM   92  O OE2 . GLU A 1 12 ? 0.29951   -25.23769 4.43768  1.000 167.35241 ? 12  GLU AA OE2 1 
ATOM   93  N N   . LYS A 1 13 ? -5.17756  -25.86488 3.19743  1.000 157.46860 ? 13  LYS AA N   1 
ATOM   94  C CA  . LYS A 1 13 ? -6.48701  -25.62488 2.68057  1.000 151.71483 ? 13  LYS AA CA  1 
ATOM   95  C C   . LYS A 1 13 ? -6.38178  -24.34130 1.91572  1.000 143.31953 ? 13  LYS AA C   1 
ATOM   96  O O   . LYS A 1 13 ? -5.37969  -23.60028 2.02076  1.000 143.89737 ? 13  LYS AA O   1 
ATOM   97  C CB  . LYS A 1 13 ? -7.50640  -25.46442 3.77473  1.000 152.63488 ? 13  LYS AA CB  1 
ATOM   98  C CG  . LYS A 1 13 ? -7.77466  -26.64721 4.60533  1.000 163.82335 ? 13  LYS AA CG  1 
ATOM   99  C CD  . LYS A 1 13 ? -9.10421  -26.44779 5.28093  1.000 163.40433 ? 13  LYS AA CD  1 
ATOM   100 C CE  . LYS A 1 13 ? -9.58272  -27.68733 5.98491  1.000 167.42258 ? 13  LYS AA CE  1 
ATOM   101 N NZ  . LYS A 1 13 ? -10.01292 -27.34886 7.37556  1.000 153.01375 ? 13  LYS AA NZ  1 
ATOM   102 N N   . GLU A 1 14 ? -7.42159  -24.10133 1.13622  1.000 142.77945 ? 14  GLU AA N   1 
ATOM   103 C CA  . GLU A 1 14 ? -7.32757  -22.93173 0.31157  1.000 148.48872 ? 14  GLU AA CA  1 
ATOM   104 C C   . GLU A 1 14 ? -8.73685  -22.50121 0.03445  1.000 147.31596 ? 14  GLU AA C   1 
ATOM   105 O O   . GLU A 1 14 ? -9.63901  -23.32802 0.00337  1.000 148.63808 ? 14  GLU AA O   1 
ATOM   106 C CB  . GLU A 1 14 ? -6.54263  -23.20582 -0.96470 1.000 154.47488 ? 14  GLU AA CB  1 
ATOM   107 C CG  . GLU A 1 14 ? -6.53884  -22.03676 -1.83756 1.000 161.89929 ? 14  GLU AA CG  1 
ATOM   108 C CD  . GLU A 1 14 ? -7.74101  -22.06756 -2.71455 1.000 173.36635 ? 14  GLU AA CD  1 
ATOM   109 O OE1 . GLU A 1 14 ? -8.06894  -23.17036 -3.19917 1.000 195.77651 ? 14  GLU AA OE1 1 
ATOM   110 O OE2 . GLU A 1 14 ? -8.32980  -20.99121 -2.96349 1.000 173.45460 ? 14  GLU AA OE2 1 
ATOM   111 N N   . VAL A 1 15 ? -8.94069  -21.19788 0.06427  1.000 153.30143 ? 15  VAL AA N   1 
ATOM   112 C CA  . VAL A 1 15 ? -10.25387 -20.61498 -0.15628 1.000 149.94490 ? 15  VAL AA CA  1 
ATOM   113 C C   . VAL A 1 15 ? -10.07648 -19.26238 -0.85622 1.000 152.20533 ? 15  VAL AA C   1 
ATOM   114 O O   . VAL A 1 15 ? -9.02059  -18.64095 -0.74450 1.000 153.25988 ? 15  VAL AA O   1 
ATOM   115 C CB  . VAL A 1 15 ? -10.97331 -20.51058 1.19166  1.000 146.50765 ? 15  VAL AA CB  1 
ATOM   116 C CG1 . VAL A 1 15 ? -10.26428 -19.50891 2.03643  1.000 148.15357 ? 15  VAL AA CG1 1 
ATOM   117 C CG2 . VAL A 1 15 ? -12.39505 -20.12805 1.00999  1.000 150.10835 ? 15  VAL AA CG2 1 
ATOM   118 N N   . ASP A 1 16 ? -11.05910 -18.85178 -1.68467 1.000 158.74878 ? 16  ASP AA N   1 
ATOM   119 C CA  . ASP A 1 16 ? -10.99116 -17.58721 -2.44623 1.000 159.02579 ? 16  ASP AA CA  1 
ATOM   120 C C   . ASP A 1 16 ? -11.52993 -16.38734 -1.65659 1.000 155.40001 ? 16  ASP AA C   1 
ATOM   121 O O   . ASP A 1 16 ? -12.40708 -16.55357 -0.81315 1.000 149.64065 ? 16  ASP AA O   1 
ATOM   122 C CB  . ASP A 1 16 ? -11.72312 -17.70131 -3.77928 1.000 165.52478 ? 16  ASP AA CB  1 
ATOM   123 C CG  . ASP A 1 16 ? -11.45721 -16.50688 -4.71668 1.000 168.98570 ? 16  ASP AA CG  1 
ATOM   124 O OD1 . ASP A 1 16 ? -12.05422 -15.42797 -4.53733 1.000 161.57284 ? 16  ASP AA OD1 1 
ATOM   125 O OD2 . ASP A 1 16 ? -10.60992 -16.65875 -5.63262 1.000 174.85445 ? 16  ASP AA OD2 1 
ATOM   126 N N   . THR A 1 17 ? -11.04113 -15.16350 -1.98010 1.000 162.99822 ? 17  THR AA N   1 
ATOM   127 C CA  . THR A 1 17 ? -11.45683 -13.92078 -1.29673 1.000 157.73848 ? 17  THR AA CA  1 
ATOM   128 C C   . THR A 1 17 ? -12.97400 -13.78949 -1.19054 1.000 155.81549 ? 17  THR AA C   1 
ATOM   129 O O   . THR A 1 17 ? -13.48848 -13.27027 -0.19543 1.000 147.86331 ? 17  THR AA O   1 
ATOM   130 C CB  . THR A 1 17 ? -10.90905 -12.65207 -2.01475 1.000 161.48125 ? 17  THR AA CB  1 
ATOM   131 O OG1 . THR A 1 17 ? -9.49794  -12.46682 -1.80302 1.000 159.90465 ? 17  THR AA OG1 1 
ATOM   132 C CG2 . THR A 1 17 ? -11.63639 -11.38283 -1.54560 1.000 156.82407 ? 17  THR AA CG2 1 
ATOM   133 N N   . SER A 1 18 ? -13.69756 -14.14901 -2.25180 1.000 159.85186 ? 18  SER AA N   1 
ATOM   134 C CA  . SER A 1 18 ? -15.15161 -13.98200 -2.30031 1.000 155.18376 ? 18  SER AA CA  1 
ATOM   135 C C   . SER A 1 18 ? -15.90149 -14.76438 -1.22994 1.000 156.28445 ? 18  SER AA C   1 
ATOM   136 O O   . SER A 1 18 ? -16.73510 -14.21130 -0.50059 1.000 155.08001 ? 18  SER AA O   1 
ATOM   137 C CB  . SER A 1 18 ? -15.63187 -14.44716 -3.65128 1.000 156.87945 ? 18  SER AA CB  1 
ATOM   138 O OG  . SER A 1 18 ? -15.34712 -15.82893 -3.76343 1.000 161.49908 ? 18  SER AA OG  1 
ATOM   139 N N   . LYS A 1 19 ? -15.51686 -16.02307 -1.02666 1.000 158.29897 ? 19  LYS AA N   1 
ATOM   140 C CA  . LYS A 1 19 ? -16.20221 -16.90488 -0.07866 1.000 156.90323 ? 19  LYS AA CA  1 
ATOM   141 C C   . LYS A 1 19 ? -16.00542 -16.43518 1.35792  1.000 153.03572 ? 19  LYS AA C   1 
ATOM   142 O O   . LYS A 1 19 ? -16.64092 -16.97172 2.28702  1.000 152.86981 ? 19  LYS AA O   1 
ATOM   143 C CB  . LYS A 1 19 ? -15.74442 -18.40591 -0.20814 1.000 159.02174 ? 19  LYS AA CB  1 
ATOM   144 C CG  . LYS A 1 19 ? -15.62687 -18.97826 -1.62503 1.000 157.81419 ? 19  LYS AA CG  1 
ATOM   145 C CD  . LYS A 1 19 ? -15.15505 -20.44995 -1.57347 1.000 160.88452 ? 19  LYS AA CD  1 
ATOM   146 C CE  . LYS A 1 19 ? -13.67817 -20.53400 -1.98509 1.000 157.25443 ? 19  LYS AA CE  1 
ATOM   147 N NZ  . LYS A 1 19 ? -13.16521 -21.77685 -2.60545 1.000 157.82663 ? 19  LYS AA NZ  1 
ATOM   148 N N   . ILE A 1 20 ? -15.14205 -15.44609 1.53433  1.000 151.17097 ? 20  ILE AA N   1 
ATOM   149 C CA  . ILE A 1 20 ? -14.76005 -15.00944 2.85926  1.000 144.96498 ? 20  ILE AA CA  1 
ATOM   150 C C   . ILE A 1 20 ? -15.86829 -14.18839 3.45160  1.000 141.35423 ? 20  ILE AA C   1 
ATOM   151 O O   . ILE A 1 20 ? -16.28567 -13.18764 2.86515  1.000 139.08415 ? 20  ILE AA O   1 
ATOM   152 C CB  . ILE A 1 20 ? -13.47988 -14.19015 2.78129  1.000 144.11356 ? 20  ILE AA CB  1 
ATOM   153 C CG1 . ILE A 1 20 ? -12.39049 -15.08602 2.20603  1.000 152.61513 ? 20  ILE AA CG1 1 
ATOM   154 C CG2 . ILE A 1 20 ? -13.14955 -13.59865 4.13406  1.000 139.15230 ? 20  ILE AA CG2 1 
ATOM   155 C CD1 . ILE A 1 20 ? -11.15805 -14.35797 2.00971  1.000 159.91902 ? 20  ILE AA CD1 1 
ATOM   156 N N   . LYS A 1 21 ? -16.15820 -14.47933 4.71208  1.000 141.95339 ? 21  LYS AA N   1 
ATOM   157 C CA  . LYS A 1 21 ? -17.18714 -13.73432 5.42012  1.000 140.38284 ? 21  LYS AA CA  1 
ATOM   158 C C   . LYS A 1 21 ? -16.57450 -12.78839 6.44635  1.000 142.95835 ? 21  LYS AA C   1 
ATOM   159 O O   . LYS A 1 21 ? -16.66388 -11.55992 6.27782  1.000 140.22787 ? 21  LYS AA O   1 
ATOM   160 C CB  . LYS A 1 21 ? -18.16643 -14.73185 6.08956  1.000 136.78910 ? 21  LYS AA CB  1 
ATOM   161 C CG  . LYS A 1 21 ? -18.34843 -16.13639 5.37644  1.000 147.71030 ? 21  LYS AA CG  1 
ATOM   162 C CD  . LYS A 1 21 ? -19.75108 -16.78972 5.68879  1.000 158.12797 ? 21  LYS AA CD  1 
ATOM   163 C CE  . LYS A 1 21 ? -20.00665 -17.33811 7.10364  1.000 164.09959 ? 21  LYS AA CE  1 
ATOM   164 N NZ  . LYS A 1 21 ? -20.78650 -18.63831 7.06185  1.000 183.45134 ? 21  LYS AA NZ  1 
ATOM   165 N N   . LYS A 1 22 ? -15.86846 -13.28718 7.46832  1.000 137.51428 ? 22  LYS AA N   1 
ATOM   166 C CA  . LYS A 1 22 ? -15.34871 -12.49792 8.59593  1.000 129.29109 ? 22  LYS AA CA  1 
ATOM   167 C C   . LYS A 1 22 ? -13.80587 -12.42094 8.70827  1.000 130.35034 ? 22  LYS AA C   1 
ATOM   168 O O   . LYS A 1 22 ? -13.08400 -13.42792 8.53047  1.000 134.80912 ? 22  LYS AA O   1 
ATOM   169 C CB  . LYS A 1 22 ? -15.88768 -13.00724 9.96663  1.000 129.92805 ? 22  LYS AA CB  1 
ATOM   170 C CG  . LYS A 1 22 ? -17.42964 -13.23573 10.16302 1.000 119.95482 ? 22  LYS AA CG  1 
ATOM   171 C CD  . LYS A 1 22 ? -18.20549 -11.90286 10.62195 1.000 122.69251 ? 22  LYS AA CD  1 
ATOM   172 C CE  . LYS A 1 22 ? -19.11919 -12.07183 11.94964 1.000 120.19556 ? 22  LYS AA CE  1 
ATOM   173 N NZ  . LYS A 1 22 ? -19.59618 -10.92908 12.86977 1.000 114.82151 ? 22  LYS AA NZ  1 
ATOM   174 N N   . VAL A 1 23 ? -13.32420 -11.24478 9.15734  1.000 127.24554 ? 23  VAL AA N   1 
ATOM   175 C CA  . VAL A 1 23 ? -11.88302 -11.01423 9.33737  1.000 128.13739 ? 23  VAL AA CA  1 
ATOM   176 C C   . VAL A 1 23 ? -11.59799 -10.23598 10.64153 1.000 113.69197 ? 23  VAL AA C   1 
ATOM   177 O O   . VAL A 1 23 ? -12.01612 -9.08302  10.77545 1.000 119.33517 ? 23  VAL AA O   1 
ATOM   178 C CB  . VAL A 1 23 ? -11.28851 -10.29038 8.10424  1.000 125.23003 ? 23  VAL AA CB  1 
ATOM   179 C CG1 . VAL A 1 23 ? -11.74817 -8.84942  7.93361  1.000 122.13413 ? 23  VAL AA CG1 1 
ATOM   180 C CG2 . VAL A 1 23 ? -9.75873  -10.28593 8.15435  1.000 133.18809 ? 23  VAL AA CG2 1 
ATOM   181 N N   . TRP A 1 24 ? -10.73233 -10.78407 11.50990 1.000 114.44689 ? 24  TRP AA N   1 
ATOM   182 C CA  . TRP A 1 24 ? -10.36788 -10.12507 12.75526 1.000 123.87524 ? 24  TRP AA CA  1 
ATOM   183 C C   . TRP A 1 24 ? -8.85542  -10.01968 12.74499 1.000 127.06525 ? 24  TRP AA C   1 
ATOM   184 O O   . TRP A 1 24 ? -8.15205  -10.95107 12.31111 1.000 131.15617 ? 24  TRP AA O   1 
ATOM   185 C CB  . TRP A 1 24 ? -10.83048 -10.94414 13.98585 1.000 109.92067 ? 24  TRP AA CB  1 
ATOM   186 N N   . ARG A 1 25 ? -8.37667  -8.94642  13.36800 1.000 126.18748 ? 25  ARG AA N   1 
ATOM   187 C CA  . ARG A 1 25 ? -6.95404  -8.74794  13.57470 1.000 133.55825 ? 25  ARG AA CA  1 
ATOM   188 C C   . ARG A 1 25 ? -6.58597  -9.34601  14.92978 1.000 136.72927 ? 25  ARG AA C   1 
ATOM   189 O O   . ARG A 1 25 ? -7.12059  -8.91888  15.97199 1.000 140.51277 ? 25  ARG AA O   1 
ATOM   190 C CB  . ARG A 1 25 ? -6.58945  -7.25068  13.49161 1.000 149.18739 ? 25  ARG AA CB  1 
ATOM   191 C CG  . ARG A 1 25 ? -5.08432  -6.92999  13.58153 1.000 148.90072 ? 25  ARG AA CG  1 
ATOM   192 C CD  . ARG A 1 25 ? -4.66098  -5.55929  13.07631 1.000 150.27007 ? 25  ARG AA CD  1 
ATOM   193 N NE  . ARG A 1 25 ? -3.67626  -5.68866  11.99032 1.000 150.38765 ? 25  ARG AA NE  1 
ATOM   194 C CZ  . ARG A 1 25 ? -3.75819  -5.13171  10.78325 1.000 152.06663 ? 25  ARG AA CZ  1 
ATOM   195 N NH1 . ARG A 1 25 ? -4.79114  -4.33290  10.45590 1.000 153.70474 ? 25  ARG AA NH1 1 
ATOM   196 N NH2 . ARG A 1 25 ? -2.77443  -5.36749  9.88498  1.000 152.41249 ? 25  ARG AA NH2 1 
ATOM   197 N N   . ALA A 1 26 ? -5.75551  -10.39619 14.89788 1.000 135.94891 ? 26  ALA AA N   1 
ATOM   198 C CA  . ALA A 1 26 ? -5.25007  -11.05380 16.10157 1.000 131.09968 ? 26  ALA AA CA  1 
ATOM   199 C C   . ALA A 1 26 ? -3.73258  -11.09108 16.12176 1.000 121.76325 ? 26  ALA AA C   1 
ATOM   200 O O   . ALA A 1 26 ? -3.13307  -12.04314 15.59715 1.000 115.06695 ? 26  ALA AA O   1 
ATOM   201 C CB  . ALA A 1 26 ? -5.80244  -12.43983 16.17281 1.000 124.72165 ? 26  ALA AA CB  1 
ATOM   202 N N   . GLY A 1 27 ? -3.14241  -10.10197 16.79554 1.000 125.78449 ? 27  GLY AA N   1 
ATOM   203 C CA  . GLY A 1 27 ? -1.71480  -9.87652  16.81172 1.000 124.08593 ? 27  GLY AA CA  1 
ATOM   204 C C   . GLY A 1 27 ? -1.08775  -9.84298  15.45081 1.000 121.41075 ? 27  GLY AA C   1 
ATOM   205 O O   . GLY A 1 27 ? -1.39414  -8.98660  14.62465 1.000 122.49955 ? 27  GLY AA O   1 
ATOM   206 N N   . LYS A 1 28 ? -0.14026  -10.73122 15.24621 1.000 112.28515 ? 28  LYS AA N   1 
ATOM   207 C CA  . LYS A 1 28 ? 0.47075   -10.77013 13.94259 1.000 111.34897 ? 28  LYS AA CA  1 
ATOM   208 C C   . LYS A 1 28 ? -0.35626  -11.59803 12.97684 1.000 113.50661 ? 28  LYS AA C   1 
ATOM   209 O O   . LYS A 1 28 ? -0.07242  -11.58246 11.75134 1.000 120.60711 ? 28  LYS AA O   1 
ATOM   210 C CB  . LYS A 1 28 ? 1.86909   -11.30828 14.05247 1.000 126.88605 ? 28  LYS AA CB  1 
ATOM   211 C CG  . LYS A 1 28 ? 2.72335   -10.46592 14.97278 1.000 131.31861 ? 28  LYS AA CG  1 
ATOM   212 C CD  . LYS A 1 28 ? 3.78085   -11.34871 15.65252 1.000 129.41327 ? 28  LYS AA CD  1 
ATOM   213 C CE  . LYS A 1 28 ? 3.27818   -12.71540 16.13236 1.000 124.33386 ? 28  LYS AA CE  1 
ATOM   214 N NZ  . LYS A 1 28 ? 3.95013   -13.18604 17.39519 1.000 128.19020 ? 28  LYS AA NZ  1 
ATOM   215 N N   . ALA A 1 29 ? -1.42375  -12.21966 13.50041 1.000 112.19428 ? 29  ALA AA N   1 
ATOM   216 C CA  . ALA A 1 29 ? -2.18805  -13.18989 12.75212 1.000 111.23193 ? 29  ALA AA CA  1 
ATOM   217 C C   . ALA A 1 29 ? -3.52497  -12.63354 12.28198 1.000 116.20399 ? 29  ALA AA C   1 
ATOM   218 O O   . ALA A 1 29 ? -4.16231  -11.81771 12.94282 1.000 122.05467 ? 29  ALA AA O   1 
ATOM   219 C CB  . ALA A 1 29 ? -2.47374  -14.41220 13.58938 1.000 100.92950 ? 29  ALA AA CB  1 
ATOM   220 N N   . VAL A 1 30 ? -3.97895  -13.16017 11.17260 1.000 108.87393 ? 30  VAL AA N   1 
ATOM   221 C CA  . VAL A 1 30 ? -5.26885  -12.82650 10.61229 1.000 113.28404 ? 30  VAL AA CA  1 
ATOM   222 C C   . VAL A 1 30 ? -6.19702  -14.02307 10.74939 1.000 117.90759 ? 30  VAL AA C   1 
ATOM   223 O O   . VAL A 1 30 ? -5.92597  -15.07914 10.14796 1.000 118.20272 ? 30  VAL AA O   1 
ATOM   224 C CB  . VAL A 1 30 ? -5.08193  -12.43658 9.14260  1.000 119.63903 ? 30  VAL AA CB  1 
ATOM   225 C CG1 . VAL A 1 30 ? -6.40587  -11.98757 8.58344  1.000 118.27522 ? 30  VAL AA CG1 1 
ATOM   226 C CG2 . VAL A 1 30 ? -3.93810  -11.41042 8.97098  1.000 125.32014 ? 30  VAL AA CG2 1 
ATOM   227 N N   . SER A 1 31 ? -7.31985  -13.82922 11.49046 1.000 113.57498 ? 31  SER AA N   1 
ATOM   228 C CA  . SER A 1 31 ? -8.27541  -14.89928 11.80913 1.000 110.45058 ? 31  SER AA CA  1 
ATOM   229 C C   . SER A 1 31 ? -9.59294  -14.68499 11.09129 1.000 116.41464 ? 31  SER AA C   1 
ATOM   230 O O   . SER A 1 31 ? -10.23468 -13.65082 11.30511 1.000 126.97364 ? 31  SER AA O   1 
ATOM   231 C CB  . SER A 1 31 ? -8.58447  -14.95832 13.30865 1.000 106.07515 ? 31  SER AA CB  1 
ATOM   232 O OG  . SER A 1 31 ? -9.60851  -15.92910 13.50005 1.000 110.06015 ? 31  SER AA OG  1 
ATOM   233 N N   . PHE A 1 32 ? -10.09199 -15.74396 10.44849 1.000 119.72674 ? 32  PHE AA N   1 
ATOM   234 C CA  . PHE A 1 32 ? -11.18015 -15.52583 9.50499  1.000 120.61802 ? 32  PHE AA CA  1 
ATOM   235 C C   . PHE A 1 32 ? -12.13757 -16.71120 9.35884  1.000 131.52351 ? 32  PHE AA C   1 
ATOM   236 O O   . PHE A 1 32 ? -11.82420 -17.85648 9.71453  1.000 131.53086 ? 32  PHE AA O   1 
ATOM   237 C CB  . PHE A 1 32 ? -10.57762 -15.20555 8.15374  1.000 123.63424 ? 32  PHE AA CB  1 
ATOM   238 C CG  . PHE A 1 32 ? -9.75119  -16.32739 7.58346  1.000 129.95385 ? 32  PHE AA CG  1 
ATOM   239 C CD1 . PHE A 1 32 ? -10.37836 -17.33969 6.88854  1.000 129.57588 ? 32  PHE AA CD1 1 
ATOM   240 C CD2 . PHE A 1 32 ? -8.38347  -16.41176 7.77741  1.000 126.36107 ? 32  PHE AA CD2 1 
ATOM   241 C CE1 . PHE A 1 32 ? -9.67166  -18.39013 6.34783  1.000 139.28398 ? 32  PHE AA CE1 1 
ATOM   242 C CE2 . PHE A 1 32 ? -7.67770  -17.45392 7.22822  1.000 133.35748 ? 32  PHE AA CE2 1 
ATOM   243 C CZ  . PHE A 1 32 ? -8.33427  -18.45052 6.51882  1.000 144.05862 ? 32  PHE AA CZ  1 
ATOM   244 N N   . THR A 1 33 ? -13.33381 -16.38450 8.80797  1.000 138.49587 ? 33  THR AA N   1 
ATOM   245 C CA  . THR A 1 33 ? -14.44074 -17.30364 8.45783  1.000 139.81054 ? 33  THR AA CA  1 
ATOM   246 C C   . THR A 1 33 ? -14.95562 -17.23344 7.01722  1.000 141.37666 ? 33  THR AA C   1 
ATOM   247 O O   . THR A 1 33 ? -15.28566 -16.12923 6.56011  1.000 136.66384 ? 33  THR AA O   1 
ATOM   248 C CB  . THR A 1 33 ? -15.65246 -17.02505 9.24988  1.000 142.12449 ? 33  THR AA CB  1 
ATOM   249 O OG1 . THR A 1 33 ? -16.30646 -15.93143 8.60320  1.000 144.90497 ? 33  THR AA OG1 1 
ATOM   250 C CG2 . THR A 1 33 ? -15.24248 -16.58838 10.59412 1.000 134.69810 ? 33  THR AA CG2 1 
ATOM   251 N N   . TYR A 1 34 ? -15.18250 -18.40436 6.38151  1.000 143.29530 ? 34  TYR AA N   1 
ATOM   252 C CA  . TYR A 1 34 ? -15.69469 -18.52367 5.01072  1.000 144.53403 ? 34  TYR AA CA  1 
ATOM   253 C C   . TYR A 1 34 ? -16.94239 -19.39922 4.92200  1.000 152.58017 ? 34  TYR AA C   1 
ATOM   254 O O   . TYR A 1 34 ? -17.30926 -20.06482 5.88110  1.000 151.87872 ? 34  TYR AA O   1 
ATOM   255 C CB  . TYR A 1 34 ? -14.56622 -19.08869 4.11841  1.000 146.89927 ? 34  TYR AA CB  1 
ATOM   256 C CG  . TYR A 1 34 ? -14.05871 -20.47702 4.52290  1.000 152.06704 ? 34  TYR AA CG  1 
ATOM   257 C CD1 . TYR A 1 34 ? -13.07023 -20.61037 5.48729  1.000 150.36690 ? 34  TYR AA CD1 1 
ATOM   258 C CD2 . TYR A 1 34 ? -14.52925 -21.64163 3.91543  1.000 156.57182 ? 34  TYR AA CD2 1 
ATOM   259 C CE1 . TYR A 1 34 ? -12.57591 -21.86693 5.87601  1.000 151.63199 ? 34  TYR AA CE1 1 
ATOM   260 C CE2 . TYR A 1 34 ? -14.03436 -22.91660 4.29472  1.000 159.11417 ? 34  TYR AA CE2 1 
ATOM   261 C CZ  . TYR A 1 34 ? -13.05584 -23.01912 5.28030  1.000 158.15628 ? 34  TYR AA CZ  1 
ATOM   262 O OH  . TYR A 1 34 ? -12.54311 -24.24595 5.69098  1.000 159.04723 ? 34  TYR AA OH  1 
ATOM   263 N N   . ASP A 1 35 ? -17.60448 -19.38765 3.76030  1.000 155.63957 ? 35  ASP AA N   1 
ATOM   264 C CA  . ASP A 1 35 ? -18.79868 -20.19746 3.49226  1.000 162.26033 ? 35  ASP AA CA  1 
ATOM   265 C C   . ASP A 1 35 ? -18.37359 -21.32277 2.55955  1.000 167.20577 ? 35  ASP AA C   1 
ATOM   266 O O   . ASP A 1 35 ? -18.33992 -21.16820 1.33085  1.000 167.93905 ? 35  ASP AA O   1 
ATOM   267 C CB  . ASP A 1 35 ? -19.94900 -19.39968 2.90226  1.000 171.40063 ? 35  ASP AA CB  1 
ATOM   268 C CG  . ASP A 1 35 ? -21.21504 -20.23051 2.75229  1.000 181.23722 ? 35  ASP AA CG  1 
ATOM   269 O OD1 . ASP A 1 35 ? -21.98380 -20.41232 3.73232  1.000 173.20376 ? 35  ASP AA OD1 1 
ATOM   270 O OD2 . ASP A 1 35 ? -21.48531 -20.65035 1.59457  1.000 186.85538 ? 35  ASP AA OD2 1 
ATOM   271 N N   . ASP A 1 36 ? -18.11365 -22.47539 3.16248  1.000 169.59022 ? 36  ASP AA N   1 
ATOM   272 C CA  . ASP A 1 36 ? -17.81392 -23.64783 2.35942  1.000 176.66224 ? 36  ASP AA CA  1 
ATOM   273 C C   . ASP A 1 36 ? -19.16819 -24.24365 2.03438  1.000 186.19050 ? 36  ASP AA C   1 
ATOM   274 O O   . ASP A 1 36 ? -19.72929 -25.06676 2.78185  1.000 195.50108 ? 36  ASP AA O   1 
ATOM   275 C CB  . ASP A 1 36 ? -16.85342 -24.59515 3.08357  1.000 174.83045 ? 36  ASP AA CB  1 
ATOM   276 C CG  . ASP A 1 36 ? -17.20700 -24.85455 4.55679  1.000 172.47068 ? 36  ASP AA CG  1 
ATOM   277 O OD1 . ASP A 1 36 ? -18.22659 -24.37406 5.03011  1.000 168.54771 ? 36  ASP AA OD1 1 
ATOM   278 O OD2 . ASP A 1 36 ? -16.40237 -25.50193 5.26284  1.000 175.56616 ? 36  ASP AA OD2 1 
ATOM   279 N N   . ASN A 1 37 ? -19.69863 -23.77991 0.89342  1.000 187.99823 ? 37  ASN AA N   1 
ATOM   280 C CA  . ASN A 1 37 ? -21.01301 -24.19029 0.45566  1.000 186.18003 ? 37  ASN AA CA  1 
ATOM   281 C C   . ASN A 1 37 ? -21.98850 -23.96158 1.61763  1.000 182.67335 ? 37  ASN AA C   1 
ATOM   282 O O   . ASN A 1 37 ? -21.99193 -22.88427 2.22369  1.000 179.77310 ? 37  ASN AA O   1 
ATOM   283 C CB  . ASN A 1 37 ? -20.83923 -25.59275 -0.02184 1.000 197.48515 ? 37  ASN AA CB  1 
ATOM   284 C CG  . ASN A 1 37 ? -21.46384 -25.78612 -1.32527 1.000 189.55170 ? 37  ASN AA CG  1 
ATOM   285 O OD1 . ASN A 1 37 ? -21.16963 -25.03549 -2.26585 1.000 184.12427 ? 37  ASN AA OD1 1 
ATOM   286 N ND2 . ASN A 1 37 ? -22.28061 -26.80173 -1.44580 1.000 191.13425 ? 37  ASN AA ND2 1 
ATOM   287 N N   . GLY A 1 38 ? -22.85412 -24.90680 1.95824  1.000 183.36998 ? 38  GLY AA N   1 
ATOM   288 C CA  . GLY A 1 38 ? -23.80246 -24.64794 3.03180  1.000 180.17579 ? 38  GLY AA CA  1 
ATOM   289 C C   . GLY A 1 38 ? -23.16266 -24.30541 4.35631  1.000 170.68659 ? 38  GLY AA C   1 
ATOM   290 O O   . GLY A 1 38 ? -23.66019 -23.43671 5.09022  1.000 169.10930 ? 38  GLY AA O   1 
ATOM   291 N N   . LYS A 1 39 ? -21.99561 -24.86893 4.62251  1.000 178.69548 ? 39  LYS AA N   1 
ATOM   292 C CA  . LYS A 1 39 ? -21.43403 -24.73323 5.95060  1.000 182.50688 ? 39  LYS AA CA  1 
ATOM   293 C C   . LYS A 1 39 ? -20.52197 -23.50141 6.00078  1.000 173.94503 ? 39  LYS AA C   1 
ATOM   294 O O   . LYS A 1 39 ? -20.31354 -22.79059 5.01571  1.000 175.30919 ? 39  LYS AA O   1 
ATOM   295 C CB  . LYS A 1 39 ? -20.66994 -26.00659 6.37529  1.000 180.75936 ? 39  LYS AA CB  1 
ATOM   296 N N   . THR A 1 40 ? -20.07643 -23.19245 7.20913  1.000 164.25166 ? 40  THR AA N   1 
ATOM   297 C CA  . THR A 1 40 ? -19.05977 -22.18459 7.48937  1.000 165.70794 ? 40  THR AA CA  1 
ATOM   298 C C   . THR A 1 40 ? -17.74669 -22.87619 7.89519  1.000 172.80746 ? 40  THR AA C   1 
ATOM   299 O O   . THR A 1 40 ? -17.75788 -23.96279 8.48234  1.000 177.34221 ? 40  THR AA O   1 
ATOM   300 C CB  . THR A 1 40 ? -19.55362 -21.23838 8.58369  1.000 164.36349 ? 40  THR AA CB  1 
ATOM   301 N N   . GLY A 1 41 ? -16.60396 -22.30142 7.49877  1.000 162.60734 ? 41  GLY AA N   1 
ATOM   302 C CA  . GLY A 1 41 ? -15.29636 -22.83635 7.86684  1.000 151.95589 ? 41  GLY AA CA  1 
ATOM   303 C C   . GLY A 1 41 ? -14.34655 -21.79971 8.44769  1.000 146.22613 ? 41  GLY AA C   1 
ATOM   304 O O   . GLY A 1 41 ? -14.43007 -20.62610 8.11128  1.000 145.57228 ? 41  GLY AA O   1 
ATOM   305 N N   . ARG A 1 42 ? -13.40178 -22.23877 9.30729  1.000 137.83041 ? 42  ARG AA N   1 
ATOM   306 C CA  . ARG A 1 42 ? -12.47531 -21.33050 9.99511  1.000 129.03790 ? 42  ARG AA CA  1 
ATOM   307 C C   . ARG A 1 42 ? -11.02628 -21.49952 9.53567  1.000 132.94935 ? 42  ARG AA C   1 
ATOM   308 O O   . ARG A 1 42 ? -10.57866 -22.58198 9.17125  1.000 140.27455 ? 42  ARG AA O   1 
ATOM   309 C CB  . ARG A 1 42 ? -12.47678 -21.51079 11.53435 1.000 125.14152 ? 42  ARG AA CB  1 
ATOM   310 C CG  . ARG A 1 42 ? -13.73796 -20.95004 12.30465 1.000 134.62029 ? 42  ARG AA CG  1 
ATOM   311 C CD  . ARG A 1 42 ? -13.88008 -21.27306 13.83829 1.000 133.99316 ? 42  ARG AA CD  1 
ATOM   312 N NE  . ARG A 1 42 ? -14.48510 -20.19490 14.63884 1.000 138.21516 ? 42  ARG AA NE  1 
ATOM   313 C CZ  . ARG A 1 42 ? -13.98978 -18.97555 14.84597 1.000 131.60383 ? 42  ARG AA CZ  1 
ATOM   314 N NH1 . ARG A 1 42 ? -12.81638 -18.58926 14.31492 1.000 130.59178 ? 42  ARG AA NH1 1 
ATOM   315 N NH2 . ARG A 1 42 ? -14.68540 -18.10855 15.59598 1.000 123.28813 ? 42  ARG AA NH2 1 
ATOM   316 N N   . GLY A 1 43 ? -10.29203 -20.40163 9.57580  1.000 127.41802 ? 43  GLY AA N   1 
ATOM   317 C CA  . GLY A 1 43 ? -8.88813  -20.44063 9.19117  1.000 127.58572 ? 43  GLY AA CA  1 
ATOM   318 C C   . GLY A 1 43 ? -8.06626  -19.24091 9.64173  1.000 113.93910 ? 43  GLY AA C   1 
ATOM   319 O O   . GLY A 1 43 ? -8.59128  -18.29513 10.25030 1.000 115.84138 ? 43  GLY AA O   1 
ATOM   320 N N   . ALA A 1 44 ? -6.75907  -19.25576 9.35684  1.000 103.68793 ? 44  ALA AA N   1 
ATOM   321 C CA  . ALA A 1 44 ? -5.89243  -18.14386 9.73551  1.000 103.95174 ? 44  ALA AA CA  1 
ATOM   322 C C   . ALA A 1 44 ? -4.58871  -18.21402 8.95393  1.000 115.48946 ? 44  ALA AA C   1 
ATOM   323 O O   . ALA A 1 44 ? -4.14658  -19.28812 8.53411  1.000 123.80414 ? 44  ALA AA O   1 
ATOM   324 C CB  . ALA A 1 44 ? -5.65857  -18.13788 11.24111 1.000 97.00977  ? 44  ALA AA CB  1 
ATOM   325 N N   . VAL A 1 45 ? -4.03005  -17.02478 8.70331  1.000 105.82167 ? 45  VAL AA N   1 
ATOM   326 C CA  . VAL A 1 45 ? -2.68127  -16.87807 8.14029  1.000 117.20602 ? 45  VAL AA CA  1 
ATOM   327 C C   . VAL A 1 45 ? -1.90471  -15.78438 8.86109  1.000 120.20669 ? 45  VAL AA C   1 
ATOM   328 O O   . VAL A 1 45 ? -2.48378  -15.00939 9.59488  1.000 121.59343 ? 45  VAL AA O   1 
ATOM   329 C CB  . VAL A 1 45 ? -2.64788  -16.56434 6.64347  1.000 117.05533 ? 45  VAL AA CB  1 
ATOM   330 C CG1 . VAL A 1 45 ? -3.58113  -17.45967 5.85482  1.000 115.47299 ? 45  VAL AA CG1 1 
ATOM   331 C CG2 . VAL A 1 45 ? -2.96832  -15.09948 6.39715  1.000 113.13990 ? 45  VAL AA CG2 1 
ATOM   332 N N   . SER A 1 46 ? -0.61413  -15.62406 8.53655  1.000 125.25581 ? 46  SER AA N   1 
ATOM   333 C CA  . SER A 1 46 ? 0.15844   -14.48381 9.03565  1.000 127.27043 ? 46  SER AA CA  1 
ATOM   334 C C   . SER A 1 46 ? -0.05951  -13.27661 8.19513  1.000 131.95980 ? 46  SER AA C   1 
ATOM   335 O O   . SER A 1 46 ? -0.07549  -13.37505 6.97041  1.000 138.04967 ? 46  SER AA O   1 
ATOM   336 C CB  . SER A 1 46 ? 1.64277   -14.77016 8.98247  1.000 137.59801 ? 46  SER AA CB  1 
ATOM   337 O OG  . SER A 1 46 ? 2.16910   -14.40453 7.71219  1.000 145.00766 ? 46  SER AA OG  1 
ATOM   338 N N   . GLU A 1 47 ? -0.05491  -12.11888 8.85338  1.000 124.25128 ? 47  GLU AA N   1 
ATOM   339 C CA  . GLU A 1 47 ? -0.24248  -10.89883 8.08533  1.000 132.36480 ? 47  GLU AA CA  1 
ATOM   340 C C   . GLU A 1 47 ? 0.82191   -10.76144 7.00596  1.000 143.00910 ? 47  GLU AA C   1 
ATOM   341 O O   . GLU A 1 47 ? 0.58067   -10.18561 5.92149  1.000 143.16568 ? 47  GLU AA O   1 
ATOM   342 C CB  . GLU A 1 47 ? -0.22850  -9.68664  8.99388  1.000 127.31438 ? 47  GLU AA CB  1 
ATOM   343 C CG  . GLU A 1 47 ? -0.01138  -8.40742  8.22668  1.000 135.21947 ? 47  GLU AA CG  1 
ATOM   344 C CD  . GLU A 1 47 ? 1.44195   -8.04905  8.21927  1.000 152.16023 ? 47  GLU AA CD  1 
ATOM   345 O OE1 . GLU A 1 47 ? 2.16467   -8.50409  9.13280  1.000 158.02027 ? 47  GLU AA OE1 1 
ATOM   346 O OE2 . GLU A 1 47 ? 1.86308   -7.35393  7.27753  1.000 147.60461 ? 47  GLU AA OE2 1 
ATOM   347 N N   . LYS A 1 48 ? 1.99711   -11.33546 7.26278  1.000 143.47701 ? 48  LYS AA N   1 
ATOM   348 C CA  . LYS A 1 48 ? 3.06351   -11.25251 6.28405  1.000 146.36326 ? 48  LYS AA CA  1 
ATOM   349 C C   . LYS A 1 48 ? 2.75986   -11.99627 4.98406  1.000 150.02799 ? 48  LYS AA C   1 
ATOM   350 O O   . LYS A 1 48 ? 2.84140   -11.40904 3.88981  1.000 152.18196 ? 48  LYS AA O   1 
ATOM   351 C CB  . LYS A 1 48 ? 4.28777   -11.86499 6.90315  1.000 148.50712 ? 48  LYS AA CB  1 
ATOM   352 C CG  . LYS A 1 48 ? 4.87306   -10.92746 7.86243  1.000 157.36911 ? 48  LYS AA CG  1 
ATOM   353 C CD  . LYS A 1 48 ? 6.07456   -11.56825 8.46788  1.000 158.70359 ? 48  LYS AA CD  1 
ATOM   354 C CE  . LYS A 1 48 ? 5.88383   -13.08078 8.59255  1.000 149.85024 ? 48  LYS AA CE  1 
ATOM   355 N NZ  . LYS A 1 48 ? 6.90510   -13.67742 9.52128  1.000 169.48490 ? 48  LYS AA NZ  1 
ATOM   356 N N   . ASP A 1 49 ? 2.19609   -13.21313 5.11311  1.000 149.84866 ? 49  ASP AA N   1 
ATOM   357 C CA  . ASP A 1 49 ? 1.90049   -14.04992 3.95433  1.000 152.55459 ? 49  ASP AA CA  1 
ATOM   358 C C   . ASP A 1 49 ? 0.52986   -13.74072 3.37533  1.000 143.74510 ? 49  ASP AA C   1 
ATOM   359 O O   . ASP A 1 49 ? -0.07383  -14.65092 2.76647  1.000 178.37310 ? 49  ASP AA O   1 
ATOM   360 C CB  . ASP A 1 49 ? 1.94565   -15.54771 4.31857  1.000 143.26071 ? 49  ASP AA CB  1 
ATOM   361 C CG  . ASP A 1 49 ? 3.13438   -15.89991 5.20063  1.000 145.59106 ? 49  ASP AA CG  1 
ATOM   362 O OD1 . ASP A 1 49 ? 4.18827   -15.25471 5.05925  1.000 149.30811 ? 49  ASP AA OD1 1 
ATOM   363 O OD2 . ASP A 1 49 ? 3.02173   -16.86369 5.98150  1.000 144.73455 ? 49  ASP AA OD2 1 
ATOM   364 N N   . ALA A 1 50 ? 0.00453   -12.50787 3.63661  1.000 132.16751 ? 50  ALA AA N   1 
ATOM   365 C CA  . ALA A 1 50 ? -1.34741  -12.34715 3.14405  1.000 139.72218 ? 50  ALA AA CA  1 
ATOM   366 C C   . ALA A 1 50 ? -1.42121  -11.56847 1.84175  1.000 142.24837 ? 50  ALA AA C   1 
ATOM   367 O O   . ALA A 1 50 ? -0.70877  -10.56963 1.68826  1.000 140.58516 ? 50  ALA AA O   1 
ATOM   368 C CB  . ALA A 1 50 ? -2.10609  -11.60914 4.19125  1.000 137.88839 ? 50  ALA AA CB  1 
ATOM   369 N N   . PRO A 1 51 ? -2.32461  -11.98233 0.94925  1.000 125.72309 ? 51  PRO AA N   1 
ATOM   370 C CA  . PRO A 1 51 ? -2.50422  -11.25502 -0.31010 1.000 126.71869 ? 51  PRO AA CA  1 
ATOM   371 C C   . PRO A 1 51 ? -3.15925  -9.90325  -0.13520 1.000 127.95214 ? 51  PRO AA C   1 
ATOM   372 O O   . PRO A 1 51 ? -3.73995  -9.62397  0.89951  1.000 127.62505 ? 51  PRO AA O   1 
ATOM   373 C CB  . PRO A 1 51 ? -3.38731  -12.18321 -1.14014 1.000 125.32865 ? 51  PRO AA CB  1 
ATOM   374 C CG  . PRO A 1 51 ? -3.96624  -13.11514 -0.20509 1.000 118.22932 ? 51  PRO AA CG  1 
ATOM   375 C CD  . PRO A 1 51 ? -3.01950  -13.28968 0.93342  1.000 120.62913 ? 51  PRO AA CD  1 
ATOM   376 N N   . LYS A 1 52 ? -2.93240  -9.02487  -1.10478 1.000 138.72252 ? 52  LYS AA N   1 
ATOM   377 C CA  . LYS A 1 52 ? -3.38805  -7.65055  -0.97924 1.000 135.09613 ? 52  LYS AA CA  1 
ATOM   378 C C   . LYS A 1 52 ? -4.90472  -7.54182  -0.84469 1.000 133.73101 ? 52  LYS AA C   1 
ATOM   379 O O   . LYS A 1 52 ? -5.38593  -6.89353  0.08397  1.000 133.57902 ? 52  LYS AA O   1 
ATOM   380 C CB  . LYS A 1 52 ? -2.96065  -6.84287  -2.18072 1.000 127.61547 ? 52  LYS AA CB  1 
ATOM   381 C CG  . LYS A 1 52 ? -3.60906  -5.49654  -2.04802 1.000 122.34086 ? 52  LYS AA CG  1 
ATOM   382 C CD  . LYS A 1 52 ? -3.36686  -4.72286  -3.25450 1.000 129.71335 ? 52  LYS AA CD  1 
ATOM   383 C CE  . LYS A 1 52 ? -3.79380  -3.26917  -3.10885 1.000 134.02617 ? 52  LYS AA CE  1 
ATOM   384 N NZ  . LYS A 1 52 ? -5.25338  -2.99914  -3.06792 1.000 138.71699 ? 52  LYS AA NZ  1 
ATOM   385 N N   . GLU A 1 53 ? -5.67008  -8.26008  -1.66715 1.000 143.07089 ? 53  GLU AA N   1 
ATOM   386 C CA  . GLU A 1 53 ? -7.12211  -8.12928  -1.62995 1.000 145.48939 ? 53  GLU AA CA  1 
ATOM   387 C C   . GLU A 1 53 ? -7.66523  -8.32281  -0.25301 1.000 137.64796 ? 53  GLU AA C   1 
ATOM   388 O O   . GLU A 1 53 ? -8.52916  -7.57391  0.20985  1.000 141.49019 ? 53  GLU AA O   1 
ATOM   389 C CB  . GLU A 1 53 ? -7.73024  -9.16181  -2.51390 1.000 143.95863 ? 53  GLU AA CB  1 
ATOM   390 C CG  . GLU A 1 53 ? -9.15307  -9.27642  -2.29945 1.000 145.18494 ? 53  GLU AA CG  1 
ATOM   391 C CD  . GLU A 1 53 ? -9.91050  -8.19622  -2.95722 1.000 156.40960 ? 53  GLU AA CD  1 
ATOM   392 O OE1 . GLU A 1 53 ? -9.31675  -7.14670  -3.23679 1.000 152.30645 ? 53  GLU AA OE1 1 
ATOM   393 O OE2 . GLU A 1 53 ? -11.08297 -8.45014  -3.27274 1.000 160.30872 ? 53  GLU AA OE2 1 
ATOM   394 N N   . LEU A 1 54 ? -7.10816  -9.28735  0.42937  1.000 127.17583 ? 54  LEU AA N   1 
ATOM   395 C CA  . LEU A 1 54 ? -7.44887  -9.58103  1.80725  1.000 128.55375 ? 54  LEU AA CA  1 
ATOM   396 C C   . LEU A 1 54 ? -7.14913  -8.43572  2.75955  1.000 135.42456 ? 54  LEU AA C   1 
ATOM   397 O O   . LEU A 1 54 ? -8.06012  -7.88243  3.39178  1.000 136.06781 ? 54  LEU AA O   1 
ATOM   398 C CB  . LEU A 1 54 ? -6.56519  -10.72275 2.21737  1.000 123.07035 ? 54  LEU AA CB  1 
ATOM   399 C CG  . LEU A 1 54 ? -6.94456  -11.24090 3.57492  1.000 123.73137 ? 54  LEU AA CG  1 
ATOM   400 C CD1 . LEU A 1 54 ? -8.23900  -11.87446 3.41152  1.000 131.59331 ? 54  LEU AA CD1 1 
ATOM   401 C CD2 . LEU A 1 54 ? -5.85078  -12.20866 3.95367  1.000 138.62870 ? 54  LEU AA CD2 1 
ATOM   402 N N   . LEU A 1 55 ? -5.92213  -7.93248  2.69691  1.000 146.41455 ? 55  LEU AA N   1 
ATOM   403 C CA  . LEU A 1 55 ? -5.48766  -6.89315  3.60798  1.000 143.96531 ? 55  LEU AA CA  1 
ATOM   404 C C   . LEU A 1 55 ? -6.39354  -5.68128  3.44970  1.000 148.14970 ? 55  LEU AA C   1 
ATOM   405 O O   . LEU A 1 55 ? -6.78796  -5.05322  4.44312  1.000 148.75911 ? 55  LEU AA O   1 
ATOM   406 C CB  . LEU A 1 55 ? -3.97800  -6.63526  3.34150  1.000 144.89109 ? 55  LEU AA CB  1 
ATOM   407 C CG  . LEU A 1 55 ? -2.86418  -7.69705  3.66941  1.000 136.07534 ? 55  LEU AA CG  1 
ATOM   408 C CD1 . LEU A 1 55 ? -1.50218  -7.51918  2.99383  1.000 139.39058 ? 55  LEU AA CD1 1 
ATOM   409 C CD2 . LEU A 1 55 ? -2.55323  -7.74815  5.14839  1.000 136.52592 ? 55  LEU AA CD2 1 
ATOM   410 N N   . ASP A 1 56 ? -6.84478  -5.45623  2.22767  1.000 141.99992 ? 56  ASP AA N   1 
ATOM   411 C CA  . ASP A 1 56 ? -7.79486  -4.39443  1.97721  1.000 146.46896 ? 56  ASP AA CA  1 
ATOM   412 C C   . ASP A 1 56 ? -9.13658  -4.70631  2.62710  1.000 151.56454 ? 56  ASP AA C   1 
ATOM   413 O O   . ASP A 1 56 ? -9.70663  -3.83889  3.30248  1.000 156.73893 ? 56  ASP AA O   1 
ATOM   414 C CB  . ASP A 1 56 ? -7.91205  -4.23082  0.46427  1.000 151.32239 ? 56  ASP AA CB  1 
ATOM   415 C CG  . ASP A 1 56 ? -6.69799  -3.57010  -0.12071 1.000 148.89107 ? 56  ASP AA CG  1 
ATOM   416 O OD1 . ASP A 1 56 ? -5.82652  -3.15864  0.66781  1.000 150.15869 ? 56  ASP AA OD1 1 
ATOM   417 O OD2 . ASP A 1 56 ? -6.59193  -3.54313  -1.35843 1.000 147.92655 ? 56  ASP AA OD2 1 
ATOM   418 N N   . MET A 1 57 ? -9.60044  -5.95879  2.54817  1.000 143.23225 ? 57  MET AA N   1 
ATOM   419 C CA  . MET A 1 57 ? -10.82693 -6.30893  3.25577  1.000 147.64017 ? 57  MET AA CA  1 
ATOM   420 C C   . MET A 1 57 ? -10.72321 -5.94470  4.72187  1.000 151.72011 ? 57  MET AA C   1 
ATOM   421 O O   . MET A 1 57 ? -11.62275 -5.30918  5.29280  1.000 162.37685 ? 57  MET AA O   1 
ATOM   422 C CB  . MET A 1 57 ? -11.10533 -7.78887  3.08104  1.000 149.53612 ? 57  MET AA CB  1 
ATOM   423 C CG  . MET A 1 57 ? -11.21784 -8.14788  1.63062  1.000 151.55275 ? 57  MET AA CG  1 
ATOM   424 S SD  . MET A 1 57 ? -11.46692 -9.85854  1.30953  1.000 148.30688 ? 57  MET AA SD  1 
ATOM   425 C CE  . MET A 1 57 ? -13.01020 -10.09046 2.19629  1.000 136.20205 ? 57  MET AA CE  1 
ATOM   426 N N   . LEU A 1 58 ? -9.57077  -6.24421  5.33401  1.000 144.28075 ? 58  LEU AA N   1 
ATOM   427 C CA  . LEU A 1 58 ? -9.36679  -5.92282  6.74956  1.000 144.03707 ? 58  LEU AA CA  1 
ATOM   428 C C   . LEU A 1 58 ? -9.46326  -4.41838  7.05558  1.000 153.72667 ? 58  LEU AA C   1 
ATOM   429 O O   . LEU A 1 58 ? -10.20175 -3.97329  7.96160  1.000 161.90921 ? 58  LEU AA O   1 
ATOM   430 C CB  . LEU A 1 58 ? -8.01071  -6.43556  7.24371  1.000 142.14133 ? 58  LEU AA CB  1 
ATOM   431 C CG  . LEU A 1 58 ? -7.78579  -6.16425  8.74973  1.000 145.17133 ? 58  LEU AA CG  1 
ATOM   432 C CD1 . LEU A 1 58 ? -9.02498  -6.38081  9.60168  1.000 148.08108 ? 58  LEU AA CD1 1 
ATOM   433 C CD2 . LEU A 1 58 ? -6.64873  -7.01224  9.25088  1.000 146.53845 ? 58  LEU AA CD2 1 
ATOM   434 N N   . ALA A 1 59 ? -8.71042  -3.61500  6.28883  1.000 149.39878 ? 59  ALA AA N   1 
ATOM   435 C CA  . ALA A 1 59 ? -8.74495  -2.15883  6.49903  1.000 156.34858 ? 59  ALA AA CA  1 
ATOM   436 C C   . ALA A 1 59 ? -10.17127 -1.63707  6.44606  1.000 163.96177 ? 59  ALA AA C   1 
ATOM   437 O O   . ALA A 1 59 ? -10.63807 -0.90631  7.34265  1.000 166.79903 ? 59  ALA AA O   1 
ATOM   438 C CB  . ALA A 1 59 ? -7.93587  -1.40393  5.41682  1.000 151.16260 ? 59  ALA AA CB  1 
ATOM   439 N N   . ARG A 1 60 ? -10.91496 -2.16936  5.48460  1.000 155.32430 ? 60  ARG AA N   1 
ATOM   440 C CA  . ARG A 1 60 ? -12.29600 -1.81445  5.33270  1.000 159.09924 ? 60  ARG AA CA  1 
ATOM   441 C C   . ARG A 1 60 ? -12.99980 -2.08271  6.62822  1.000 169.42281 ? 60  ARG AA C   1 
ATOM   442 O O   . ARG A 1 60 ? -13.75403 -1.25326  7.13889  1.000 176.25724 ? 60  ARG AA O   1 
ATOM   443 C CB  . ARG A 1 60 ? -12.88699 -2.69856  4.23975  1.000 157.15518 ? 60  ARG AA CB  1 
ATOM   444 C CG  . ARG A 1 60 ? -12.46447 -2.31303  2.88783  1.000 162.58387 ? 60  ARG AA CG  1 
ATOM   445 C CD  . ARG A 1 60 ? -12.88232 -3.28737  1.79734  1.000 171.04463 ? 60  ARG AA CD  1 
ATOM   446 N NE  . ARG A 1 60 ? -11.90421 -3.46247  0.70647  1.000 172.82456 ? 60  ARG AA NE  1 
ATOM   447 C CZ  . ARG A 1 60 ? -11.65622 -4.59752  0.05059  1.000 170.16058 ? 60  ARG AA CZ  1 
ATOM   448 N NH1 . ARG A 1 60 ? -12.27998 -5.70743  0.33812  1.000 163.13875 ? 60  ARG AA NH1 1 
ATOM   449 N NH2 . ARG A 1 60 ? -10.83061 -4.59529  -0.99662 1.000 166.08553 ? 60  ARG AA NH2 1 
ATOM   450 N N   . ALA A 1 61 ? -12.74222 -3.25530  7.18423  1.000 158.83733 ? 61  ALA AA N   1 
ATOM   451 C CA  . ALA A 1 61 ? -13.46765 -3.64308  8.37824  1.000 159.84032 ? 61  ALA AA CA  1 
ATOM   452 C C   . ALA A 1 61 ? -13.22713 -2.75310  9.57466  1.000 164.20085 ? 61  ALA AA C   1 
ATOM   453 O O   . ALA A 1 61 ? -14.20339 -2.37759  10.22426 1.000 168.67198 ? 61  ALA AA O   1 
ATOM   454 C CB  . ALA A 1 61 ? -13.09056 -5.07172  8.74359  1.000 158.18124 ? 61  ALA AA CB  1 
ATOM   455 N N   . GLU A 1 62 ? -12.09351 -2.10199  9.65450  1.000 168.77217 ? 62  GLU AA N   1 
ATOM   456 C CA  . GLU A 1 62 ? -11.93502 -1.24674  10.82826 1.000 173.77017 ? 62  GLU AA CA  1 
ATOM   457 C C   . GLU A 1 62 ? -12.56760 0.11678   10.65336 1.000 177.06961 ? 62  GLU AA C   1 
ATOM   458 O O   . GLU A 1 62 ? -12.51726 0.95718   11.58098 1.000 177.93168 ? 62  GLU AA O   1 
ATOM   459 C CB  . GLU A 1 62 ? -10.45070 -1.18536  11.18423 1.000 173.41214 ? 62  GLU AA CB  1 
ATOM   460 C CG  . GLU A 1 62 ? -9.98454  -2.61175  11.44449 1.000 162.70453 ? 62  GLU AA CG  1 
ATOM   461 C CD  . GLU A 1 62 ? -8.50405  -2.71594  11.56607 1.000 156.77146 ? 62  GLU AA CD  1 
ATOM   462 O OE1 . GLU A 1 62 ? -7.86578  -2.32268  10.57779 1.000 158.16757 ? 62  GLU AA OE1 1 
ATOM   463 O OE2 . GLU A 1 62 ? -7.98335  -3.18129  12.59204 1.000 147.39323 ? 62  GLU AA OE2 1 
ATOM   464 N N   . ARG A 1 63 ? -13.28199 0.24586   9.54184  1.000 171.01965 ? 63  ARG AA N   1 
ATOM   465 C CA  . ARG A 1 63 ? -13.98379 1.42690   9.18136  1.000 163.69596 ? 63  ARG AA CA  1 
ATOM   466 C C   . ARG A 1 63 ? -12.92974 2.50487   9.19794  1.000 169.03832 ? 63  ARG AA C   1 
ATOM   467 O O   . ARG A 1 63 ? -12.12627 2.53724   8.26540  1.000 168.99935 ? 63  ARG AA O   1 
ATOM   468 C CB  . ARG A 1 63 ? -15.12782 1.77073   10.16146 1.000 157.32551 ? 63  ARG AA CB  1 
ATOM   469 C CG  . ARG A 1 63 ? -16.34407 0.79047   10.21229 1.000 146.36099 ? 63  ARG AA CG  1 
ATOM   470 C CD  . ARG A 1 63 ? -16.03508 -0.37655  11.10771 1.000 150.98865 ? 63  ARG AA CD  1 
ATOM   471 N NE  . ARG A 1 63 ? -15.18723 0.10169   12.17810 1.000 155.81576 ? 63  ARG AA NE  1 
ATOM   472 C CZ  . ARG A 1 63 ? -15.63364 0.69927   13.26939 1.000 159.40395 ? 63  ARG AA CZ  1 
ATOM   473 N NH1 . ARG A 1 63 ? -16.91851 0.87953   13.47382 1.000 155.77292 ? 63  ARG AA NH1 1 
ATOM   474 N NH2 . ARG A 1 63 ? -14.75140 1.17126   14.13242 1.000 161.12098 ? 63  ARG AA NH2 1 
HETATM 475 C C   . GOA B 2 1  ? -9.29369  -16.15346 17.28776 1.000 93.57770  ? 101 GOA A  C   1 
HETATM 476 C CA  . GOA B 2 1  ? -9.24963  -15.30442 18.58769 1.000 87.85036  ? 101 GOA A  CA  1 
HETATM 477 O O   . GOA B 2 1  ? -9.07191  -15.64437 16.17626 1.000 91.21417  ? 101 GOA A  O   1 
HETATM 478 O O2  . GOA B 2 1  ? -9.23480  -15.99514 19.88167 1.000 93.91348  ? 101 GOA A  O2  1 
HETATM 479 C C   . V4F B 2 2  ? -7.80587  -19.02856 20.62238 1.000 95.47592  ? 102 V4F A  C   1 
HETATM 480 C CAF . V4F B 2 2  ? -10.30668 -21.65454 19.91102 1.000 107.92637 ? 102 V4F A  CAF 1 
HETATM 481 C CAD . V4F B 2 2  ? -9.38144  -20.85234 20.58623 1.000 108.11236 ? 102 V4F A  CAD 1 
HETATM 482 C CAE . V4F B 2 2  ? -8.84948  -19.69674 20.01087 1.000 102.63324 ? 102 V4F A  CAE 1 
HETATM 483 C CAL . V4F B 2 2  ? -10.73169 -21.20273 18.65173 1.000 102.42872 ? 102 V4F A  CAL 1 
HETATM 484 C CAM . V4F B 2 2  ? -10.14001 -20.04967 18.14763 1.000 105.19920 ? 102 V4F A  CAM 1 
HETATM 485 C CAJ . V4F B 2 2  ? -10.50317 -19.56159 16.90966 1.000 107.16974 ? 102 V4F A  CAJ 1 
HETATM 486 C CAK . V4F B 2 2  ? -11.45519 -20.24094 16.18762 1.000 105.07963 ? 102 V4F A  CAK 1 
HETATM 487 C CAG . V4F B 2 2  ? -12.06973 -21.38917 16.65139 1.000 107.15390 ? 102 V4F A  CAG 1 
HETATM 488 C CAI . V4F B 2 2  ? -11.69297 -21.82800 17.87842 1.000 104.58113 ? 102 V4F A  CAI 1 
HETATM 489 C C01 . V4F B 2 2  ? -11.71422 -23.77506 19.95149 1.000 121.25006 ? 102 V4F A  C01 1 
HETATM 490 C CA  . V4F B 2 2  ? -9.92048  -18.39640 16.35659 1.000 100.55784 ? 102 V4F A  CA  1 
HETATM 491 N NAH . V4F B 2 2  ? -9.18209  -19.37482 18.77400 1.000 101.44544 ? 102 V4F A  NAH 1 
HETATM 492 N N   . V4F B 2 2  ? -9.78425  -17.40615 17.45626 1.000 96.92839  ? 102 V4F A  N   1 
HETATM 493 O O   . V4F B 2 2  ? -7.52028  -19.29744 21.77549 1.000 93.83144  ? 102 V4F A  O   1 
HETATM 494 O O01 . V4F B 2 2  ? -10.78560 -22.83220 20.53832 1.000 115.37532 ? 102 V4F A  O01 1 
HETATM 495 O O3  . V4F B 2 2  ? -12.98028 -24.72497 21.76120 1.000 132.34210 ? 102 V4F A  O3  1 
HETATM 496 O O2  . V4F B 2 2  ? -10.75082 -25.81835 21.30421 1.000 120.63531 ? 102 V4F A  O2  1 
HETATM 497 O O1  . V4F B 2 2  ? -12.48357 -25.90213 19.58948 1.000 135.54807 ? 102 V4F A  O1  1 
HETATM 498 P P   . V4F B 2 2  ? -11.99799 -25.20545 20.78439 1.000 139.02249 ? 102 V4F A  P   1 
HETATM 499 C C   . V53 B 2 3  ? -5.47886  -17.04443 15.75675 1.000 74.52650  ? 103 V53 A  C   1 
HETATM 500 C CAF . V53 B 2 3  ? -3.53689  -15.46450 18.52078 1.000 84.51138  ? 103 V53 A  CAF 1 
HETATM 501 C CAD . V53 B 2 3  ? -3.96826  -15.77047 17.20715 1.000 80.59874  ? 103 V53 A  CAD 1 
HETATM 502 C CAJ . V53 B 2 3  ? -5.05295  -16.63605 17.02307 1.000 71.39836  ? 103 V53 A  CAJ 1 
HETATM 503 C CAL . V53 B 2 3  ? -4.21725  -16.03043 19.56032 1.000 74.09608  ? 103 V53 A  CAL 1 
HETATM 504 C CAM . V53 B 2 3  ? -5.29356  -16.85321 19.27402 1.000 71.18123  ? 103 V53 A  CAM 1 
HETATM 505 C CA  . V53 B 2 3  ? -5.94694  -17.53824 20.25909 1.000 77.43885  ? 103 V53 A  CA  1 
HETATM 506 C CAK . V53 B 2 3  ? -5.63360  -17.20770 21.57398 1.000 72.41607  ? 103 V53 A  CAK 1 
HETATM 507 C CAG . V53 B 2 3  ? -4.56541  -16.34016 21.87393 1.000 71.53281  ? 103 V53 A  CAG 1 
HETATM 508 C CAI . V53 B 2 3  ? -3.82160  -15.72486 20.85839 1.000 72.99918  ? 103 V53 A  CAI 1 
HETATM 509 C C01 . V53 B 2 3  ? -1.80461  -14.09154 17.88091 1.000 96.49958  ? 103 V53 A  C01 1 
HETATM 510 N NAH . V53 B 2 3  ? -5.63116  -17.19517 18.04558 1.000 73.07595  ? 103 V53 A  NAH 1 
HETATM 511 N N   . V53 B 2 3  ? -7.00931  -18.25837 19.82920 1.000 89.81266  ? 103 V53 A  N   1 
HETATM 512 O O   . V53 B 2 3  ? -5.11429  -16.43569 14.74895 1.000 76.66263  ? 103 V53 A  O   1 
HETATM 513 O O01 . V53 B 2 3  ? -2.49391  -14.65482 18.96767 1.000 90.45150  ? 103 V53 A  O01 1 
HETATM 514 O O1  . V53 B 2 3  ? -0.36968  -12.40812 17.37874 1.000 100.39088 ? 103 V53 A  O1  1 
HETATM 515 O O2  . V53 B 2 3  ? -0.81853  -12.80807 19.81061 1.000 96.42468  ? 103 V53 A  O2  1 
HETATM 516 O O3  . V53 B 2 3  ? 0.52890   -14.45679 18.47172 1.000 108.65984 ? 103 V53 A  O3  1 
HETATM 517 P P   . V53 B 2 3  ? -0.45049  -13.36851 18.47995 1.000 113.66923 ? 103 V53 A  P   1 
HETATM 518 C C   . V4F B 2 4  ? -6.28840  -21.54872 18.40197 1.000 99.17241  ? 104 V4F A  C   1 
HETATM 519 C CAF . V4F B 2 4  ? -8.91146  -22.65271 16.01450 1.000 105.07827 ? 104 V4F A  CAF 1 
HETATM 520 C CAD . V4F B 2 4  ? -8.11401  -22.60876 17.16491 1.000 103.33362 ? 104 V4F A  CAD 1 
HETATM 521 C CAE . V4F B 2 4  ? -7.13233  -21.61325 17.28270 1.000 97.65788  ? 104 V4F A  CAE 1 
HETATM 522 C CAL . V4F B 2 4  ? -8.73471  -21.60688 15.09596 1.000 101.50634 ? 104 V4F A  CAL 1 
HETATM 523 C CAM . V4F B 2 4  ? -7.79728  -20.57458 15.29246 1.000 93.57832  ? 104 V4F A  CAM 1 
HETATM 524 C CAJ . V4F B 2 4  ? -7.50512  -19.63173 14.28203 1.000 89.43447  ? 104 V4F A  CAJ 1 
HETATM 525 C CAK . V4F B 2 4  ? -8.36965  -19.55894 13.20468 1.000 99.14699  ? 104 V4F A  CAK 1 
HETATM 526 C CAG . V4F B 2 4  ? -9.34600  -20.54016 13.02090 1.000 111.66522 ? 104 V4F A  CAG 1 
HETATM 527 C CAI . V4F B 2 4  ? -9.52892  -21.56790 13.95475 1.000 108.68607 ? 104 V4F A  CAI 1 
HETATM 528 C C01 . V4F B 2 4  ? -10.33522 -24.58150 16.72503 1.000 118.38565 ? 104 V4F A  C01 1 
HETATM 529 C CA  . V4F B 2 4  ? -6.68724  -18.51468 14.41822 1.000 90.83914  ? 104 V4F A  CA  1 
HETATM 530 N NAH . V4F B 2 4  ? -6.97167  -20.68039 16.34561 1.000 92.13737  ? 104 V4F A  NAH 1 
HETATM 531 N N   . V4F B 2 4  ? -6.28645  -18.14587 15.66008 1.000 87.05554  ? 104 V4F A  N   1 
HETATM 532 O O   . V4F B 2 4  ? -6.51366  -22.28129 19.35174 1.000 106.52872 ? 104 V4F A  O   1 
HETATM 533 O O01 . V4F B 2 4  ? -9.96841  -23.54835 15.72659 1.000 106.74464 ? 104 V4F A  O01 1 
HETATM 534 O O3  . V4F B 2 4  ? -12.91675 -25.04111 16.18964 1.000 127.70212 ? 104 V4F A  O3  1 
HETATM 535 O O2  . V4F B 2 4  ? -11.56447 -26.79798 17.20162 1.000 132.76012 ? 104 V4F A  O2  1 
HETATM 536 O O1  . V4F B 2 4  ? -11.15548 -26.17265 14.84782 1.000 134.44424 ? 104 V4F A  O1  1 
HETATM 537 P P   . V4F B 2 4  ? -11.61244 -25.76774 16.17130 1.000 133.68499 ? 104 V4F A  P   1 
HETATM 538 C C   . V53 B 2 5  ? -1.96413  -18.06676 16.09541 1.000 76.17787  ? 105 V53 A  C   1 
HETATM 539 C CAF . V53 B 2 5  ? -1.38916  -18.28726 19.69818 1.000 86.85983  ? 105 V53 A  CAF 1 
HETATM 540 C CAD . V53 B 2 5  ? -1.24000  -17.87237 18.37309 1.000 79.51727  ? 105 V53 A  CAD 1 
HETATM 541 C CAJ . V53 B 2 5  ? -2.18232  -18.31229 17.43954 1.000 75.44199  ? 105 V53 A  CAJ 1 
HETATM 542 C CAL . V53 B 2 5  ? -2.45128  -19.10839 20.01764 1.000 80.09269  ? 105 V53 A  CAL 1 
HETATM 543 C CAM . V53 B 2 5  ? -3.32438  -19.54285 19.02759 1.000 75.99030  ? 105 V53 A  CAM 1 
HETATM 544 C CA  . V53 B 2 5  ? -4.31191  -20.47791 19.30384 1.000 81.26187  ? 105 V53 A  CA  1 
HETATM 545 C CAK . V53 B 2 5  ? -4.53369  -20.77362 20.64136 1.000 82.25117  ? 105 V53 A  CAK 1 
HETATM 546 C CAG . V53 B 2 5  ? -3.67628  -20.33711 21.63872 1.000 84.08425  ? 105 V53 A  CAG 1 
HETATM 547 C CAI . V53 B 2 5  ? -2.61396  -19.48977 21.33857 1.000 86.35291  ? 105 V53 A  CAI 1 
HETATM 548 C C01 . V53 B 2 5  ? 0.43762   -17.00066 20.55603 1.000 108.41367 ? 105 V53 A  C01 1 
HETATM 549 N NAH . V53 B 2 5  ? -3.11118  -19.20223 17.76154 1.000 67.79474  ? 105 V53 A  NAH 1 
HETATM 550 N N   . V53 B 2 5  ? -5.23448  -20.68843 18.34000 1.000 90.49982  ? 105 V53 A  N   1 
HETATM 551 O O   . V53 B 2 5  ? -1.32426  -17.07142 15.72911 1.000 79.51707  ? 105 V53 A  O   1 
HETATM 552 O O01 . V53 B 2 5  ? -0.63138  -17.91488 20.79471 1.000 94.35375  ? 105 V53 A  O01 1 
HETATM 553 O O1  . V53 B 2 5  ? 2.13901   -15.60587 21.43968 1.000 132.21733 ? 105 V53 A  O1  1 
HETATM 554 O O2  . V53 B 2 5  ? 0.54049   -16.26663 23.21512 1.000 131.74408 ? 105 V53 A  O2  1 
HETATM 555 O O3  . V53 B 2 5  ? 2.04522   -17.96530 22.20147 1.000 129.68261 ? 105 V53 A  O3  1 
HETATM 556 P P   . V53 B 2 5  ? 1.34021   -16.67593 22.07137 1.000 138.10950 ? 105 V53 A  P   1 
HETATM 557 C C   . V5F B 2 6  ? -4.04273  -23.35499 14.33330 1.000 86.18190  ? 106 V5F A  C   1 
HETATM 558 C C6  . V5F B 2 6  ? -4.06072  -22.19185 13.44302 1.000 83.36951  ? 106 V5F A  C6  1 
HETATM 559 C C2  . V5F B 2 6  ? -3.01758  -20.38237 11.93923 1.000 79.33577  ? 106 V5F A  C2  1 
HETATM 560 C C1  . V5F B 2 6  ? -3.05814  -20.17730 13.31957 1.000 71.47510  ? 106 V5F A  C1  1 
HETATM 561 C CA  . V5F B 2 6  ? -2.45808  -19.09057 13.93004 1.000 69.06981  ? 106 V5F A  CA  1 
HETATM 562 C C5  . V5F B 2 6  ? -1.97871  -18.10004 13.11076 1.000 70.30849  ? 106 V5F A  C5  1 
HETATM 563 C C4  . V5F B 2 6  ? -1.98428  -18.24334 11.73291 1.000 87.45210  ? 106 V5F A  C4  1 
HETATM 564 C C3  . V5F B 2 6  ? -2.50171  -19.38661 11.11923 1.000 89.79253  ? 106 V5F A  C3  1 
HETATM 565 C CB  . V5F B 2 6  ? -5.53807  -21.95627 13.23175 1.000 92.13770  ? 106 V5F A  CB  1 
HETATM 566 N N   . V5F B 2 6  ? -2.51316  -19.05971 15.29582 1.000 64.49059  ? 106 V5F A  N   1 
HETATM 567 O O   . V5F B 2 6  ? -4.32708  -24.44879 13.86812 1.000 91.77578  ? 106 V5F A  O   1 
HETATM 568 O O1  . V5F B 2 6  ? -3.45797  -21.14605 14.17441 1.000 80.04435  ? 106 V5F A  O1  1 
HETATM 569 C C   . V4F B 2 7  ? -0.21379  -21.13164 17.36560 1.000 80.61594  ? 107 V4F A  C   1 
HETATM 570 C CAF . V4F B 2 7  ? -1.49860  -22.54066 20.38106 1.000 88.85062  ? 107 V4F A  CAF 1 
HETATM 571 C CAD . V4F B 2 7  ? -0.67264  -21.77892 19.60748 1.000 79.60200  ? 107 V4F A  CAD 1 
HETATM 572 C CAE . V4F B 2 7  ? -0.93052  -21.85682 18.24304 1.000 82.62656  ? 107 V4F A  CAE 1 
HETATM 573 C CAL . V4F B 2 7  ? -2.46322  -23.36627 19.80958 1.000 90.38644  ? 107 V4F A  CAL 1 
HETATM 574 C CAM . V4F B 2 7  ? -2.65173  -23.40885 18.43473 1.000 89.31711  ? 107 V4F A  CAM 1 
HETATM 575 C CAJ . V4F B 2 7  ? -3.61366  -24.21136 17.82804 1.000 94.25749  ? 107 V4F A  CAJ 1 
HETATM 576 C CAK . V4F B 2 7  ? -4.41224  -25.00373 18.61245 1.000 101.65596 ? 107 V4F A  CAK 1 
HETATM 577 C CAG . V4F B 2 7  ? -4.23425  -24.96136 19.98773 1.000 112.89596 ? 107 V4F A  CAG 1 
HETATM 578 C CAI . V4F B 2 7  ? -3.27305  -24.15365 20.59558 1.000 95.59730  ? 107 V4F A  CAI 1 
HETATM 579 C C01 . V4F B 2 7  ? -0.32502  -21.74810 22.24154 1.000 94.80195  ? 107 V4F A  C01 1 
HETATM 580 C CA  . V4F B 2 7  ? -3.79505  -24.32323 16.45781 1.000 91.47776  ? 107 V4F A  CA  1 
HETATM 581 N NAH . V4F B 2 7  ? -1.83638  -22.68513 17.67835 1.000 83.71934  ? 107 V4F A  NAH 1 
HETATM 582 N N   . V4F B 2 7  ? -3.79833  -23.12053 15.62777 1.000 85.92310  ? 107 V4F A  N   1 
HETATM 583 O O   . V4F B 2 7  ? 0.51219   -20.27431 17.85437 1.000 82.10884  ? 107 V4F A  O   1 
HETATM 584 O O01 . V4F B 2 7  ? -1.36982  -22.55504 21.72057 1.000 95.19408  ? 107 V4F A  O01 1 
HETATM 585 O O3  . V4F B 2 7  ? -1.03134  -22.35560 24.47356 1.000 113.26262 ? 107 V4F A  O3  1 
HETATM 586 O O2  . V4F B 2 7  ? 1.38430   -21.82070 24.07337 1.000 107.18988 ? 107 V4F A  O2  1 
HETATM 587 O O1  . V4F B 2 7  ? 0.46455   -24.00242 23.38703 1.000 123.73652 ? 107 V4F A  O1  1 
HETATM 588 P P   . V4F B 2 7  ? 0.18086   -22.59565 23.70213 1.000 116.43384 ? 107 V4F A  P   1 
HETATM 589 C C   . V53 B 2 8  ? -1.14668  -24.73527 12.53639 1.000 95.14263  ? 108 V53 A  C   1 
HETATM 590 C CAF . V53 B 2 8  ? 0.20393   -21.63804 11.19614 1.000 81.95469  ? 108 V53 A  CAF 1 
HETATM 591 C CAD . V53 B 2 8  ? -0.32401  -22.92463 11.24357 1.000 80.93946  ? 108 V53 A  CAD 1 
HETATM 592 C CAJ . V53 B 2 8  ? -0.72851  -23.42433 12.48942 1.000 83.85215  ? 108 V53 A  CAJ 1 
HETATM 593 C CAL . V53 B 2 8  ? 0.33745   -20.97428 12.47192 1.000 71.08673  ? 108 V53 A  CAL 1 
HETATM 594 C CAM . V53 B 2 8  ? -0.08330  -21.57557 13.68731 1.000 73.26042  ? 108 V53 A  CAM 1 
HETATM 595 C CA  . V53 B 2 8  ? 0.16008   -21.04132 14.99625 1.000 72.68305  ? 108 V53 A  CA  1 
HETATM 596 C CAK . V53 B 2 8  ? 0.55282   -19.72392 15.07020 1.000 77.81812  ? 108 V53 A  CAK 1 
HETATM 597 C CAG . V53 B 2 8  ? 0.93997   -19.10967 13.87684 1.000 81.25866  ? 108 V53 A  CAG 1 
HETATM 598 C CAI . V53 B 2 8  ? 0.85166   -19.69876 12.60256 1.000 68.00702  ? 108 V53 A  CAI 1 
HETATM 599 C C01 . V53 B 2 8  ? 0.49110   -21.82670 8.67665  1.000 100.63103 ? 108 V53 A  C01 1 
HETATM 600 N NAH . V53 B 2 8  ? -0.51098  -22.82239 13.64835 1.000 83.71288  ? 108 V53 A  NAH 1 
HETATM 601 N N   . V53 B 2 8  ? -0.41445  -21.56173 16.09882 1.000 72.56353  ? 108 V53 A  N   1 
HETATM 602 O O   . V53 B 2 8  ? -1.49579  -25.28765 11.48257 1.000 104.59394 ? 108 V53 A  O   1 
HETATM 603 O O01 . V53 B 2 8  ? 0.61901   -21.06831 9.91865  1.000 92.52866  ? 108 V53 A  O01 1 
HETATM 604 O O1  . V53 B 2 8  ? 0.71305   -21.74106 5.92350  1.000 135.46141 ? 108 V53 A  O1  1 
HETATM 605 O O2  . V53 B 2 8  ? 0.44415   -19.58928 7.15808  1.000 122.97698 ? 108 V53 A  O2  1 
HETATM 606 O O3  . V53 B 2 8  ? 2.50788   -20.90843 7.41241  1.000 118.99128 ? 108 V53 A  O3  1 
HETATM 607 P P   . V53 B 2 8  ? 1.06849   -20.91185 7.12080  1.000 115.32175 ? 108 V53 A  P   1 
HETATM 608 C C   . V4F B 2 9  ? 1.48604   -24.33188 17.54657 1.000 93.94037  ? 109 V4F A  C   1 
HETATM 609 C CAF . V4F B 2 9  ? -0.81285  -26.68337 18.97492 1.000 102.97601 ? 109 V4F A  CAF 1 
HETATM 610 C CAD . V4F B 2 9  ? 0.18997   -25.75965 18.88891 1.000 98.19029  ? 109 V4F A  CAD 1 
HETATM 611 C CAE . V4F B 2 9  ? 0.49615   -25.30449 17.64311 1.000 98.55640  ? 109 V4F A  CAE 1 
HETATM 612 C CAL . V4F B 2 9  ? -1.46596  -27.16902 17.81775 1.000 107.52639 ? 109 V4F A  CAL 1 
HETATM 613 C CAM . V4F B 2 9  ? -1.11347  -26.65004 16.56573 1.000 102.97752 ? 109 V4F A  CAM 1 
HETATM 614 C CAJ . V4F B 2 9  ? -1.77606  -27.12836 15.39788 1.000 104.21601 ? 109 V4F A  CAJ 1 
HETATM 615 C CAK . V4F B 2 9  ? -2.78291  -28.10016 15.51166 1.000 110.63780 ? 109 V4F A  CAK 1 
HETATM 616 C CAG . V4F B 2 9  ? -3.14420  -28.60817 16.75077 1.000 118.76596 ? 109 V4F A  CAG 1 
HETATM 617 C CAI . V4F B 2 9  ? -2.49107  -28.14761 17.90020 1.000 127.04596 ? 109 V4F A  CAI 1 
HETATM 618 C C01 . V4F B 2 9  ? -0.27787  -26.70410 21.22704 1.000 108.94855 ? 109 V4F A  C01 1 
HETATM 619 C CA  . V4F B 2 9  ? -1.53158  -26.72765 14.04446 1.000 100.81305 ? 109 V4F A  CA  1 
HETATM 620 N NAH . V4F B 2 9  ? -0.11636  -25.75867 16.54268 1.000 100.89283 ? 109 V4F A  NAH 1 
HETATM 621 N N   . V4F B 2 9  ? -1.11533  -25.31431 13.79676 1.000 94.40725  ? 109 V4F A  N   1 
HETATM 622 O O   . V4F B 2 9  ? 1.92990   -23.78550 18.57657 1.000 98.50984  ? 109 V4F A  O   1 
HETATM 623 O O01 . V4F B 2 9  ? -1.13069  -27.23257 20.18885 1.000 117.25596 ? 109 V4F A  O01 1 
HETATM 624 O O3  . V4F B 2 9  ? 0.40561   -27.47409 23.66369 1.000 130.92141 ? 109 V4F A  O3  1 
HETATM 625 O O2  . V4F B 2 9  ? -1.58172  -26.07936 23.25721 1.000 133.21927 ? 109 V4F A  O2  1 
HETATM 626 O O1  . V4F B 2 9  ? -1.61908  -28.48177 22.60807 1.000 152.17596 ? 109 V4F A  O1  1 
HETATM 627 P P   . V4F B 2 9  ? -0.80446  -27.26318 22.84510 1.000 142.66320 ? 109 V4F A  P   1 
HETATM 628 C C   . V53 B 2 10 ? 2.00442   -24.88852 11.37873 1.000 99.11552  ? 110 V53 A  C   1 
HETATM 629 C CAF . V53 B 2 10 ? 3.95078   -22.05622 12.49159 1.000 89.85862  ? 110 V53 A  CAF 1 
HETATM 630 C CAD . V53 B 2 10 ? 3.37562   -22.98950 11.64334 1.000 80.73478  ? 110 V53 A  CAD 1 
HETATM 631 C CAJ . V53 B 2 10 ? 2.58092   -23.94142 12.22851 1.000 86.23711  ? 110 V53 A  CAJ 1 
HETATM 632 C CAL . V53 B 2 10 ? 3.71838   -22.12712 13.89130 1.000 84.57555  ? 110 V53 A  CAL 1 
HETATM 633 C CAM . V53 B 2 10 ? 2.86557   -23.10734 14.40941 1.000 87.33136  ? 110 V53 A  CAM 1 
HETATM 634 C CA  . V53 B 2 10 ? 2.70614   -23.19885 15.82558 1.000 84.06588  ? 110 V53 A  CA  1 
HETATM 635 C CAK . V53 B 2 10 ? 3.22330   -22.23127 16.69055 1.000 85.92740  ? 110 V53 A  CAK 1 
HETATM 636 C CAG . V53 B 2 10 ? 4.04901   -21.24021 16.18460 1.000 91.70191  ? 110 V53 A  CAG 1 
HETATM 637 C CAI . V53 B 2 10 ? 4.28771   -21.18856 14.78409 1.000 83.15095  ? 110 V53 A  CAI 1 
HETATM 638 C C01 . V53 B 2 10 ? 4.99303   -20.98395 10.48584 1.000 105.84579 ? 110 V53 A  C01 1 
HETATM 639 N NAH . V53 B 2 10 ? 2.34541   -23.99572 13.53213 1.000 88.02260  ? 110 V53 A  NAH 1 
HETATM 640 N N   . V53 B 2 10 ? 1.80129   -24.07502 16.24389 1.000 86.11517  ? 110 V53 A  N   1 
HETATM 641 O O   . V53 B 2 10 ? 2.16232   -24.88980 10.08489 1.000 96.21325  ? 110 V53 A  O   1 
HETATM 642 O O01 . V53 B 2 10 ? 4.79817   -21.05021 11.96710 1.000 98.25106  ? 110 V53 A  O01 1 
HETATM 643 O O1  . V53 B 2 10 ? 6.32374   -20.46546 8.42331  1.000 137.92702 ? 110 V53 A  O1  1 
HETATM 644 O O2  . V53 B 2 10 ? 6.16749   -18.42259 9.83764  1.000 123.92727 ? 110 V53 A  O2  1 
HETATM 645 O O3  . V53 B 2 10 ? 7.58432   -20.33698 10.58007 1.000 134.23448 ? 110 V53 A  O3  1 
HETATM 646 P P   . V53 B 2 10 ? 6.51935   -19.85453 9.73258  1.000 144.42969 ? 110 V53 A  P   1 
HETATM 647 O OXT . V53 B 2 10 ? 1.44581   -25.87889 11.88802 1.000 102.28755 ? 110 V53 A  OXT 1 
HETATM 648 C C   . GOA C 2 1  ? 16.32818  -32.49291 16.28493 1.000 97.09434  ? 111 GOA B  C   1 
HETATM 649 C CA  . GOA C 2 1  ? 17.14186  -31.42364 17.02727 1.000 98.09552  ? 111 GOA B  CA  1 
HETATM 650 O O   . GOA C 2 1  ? 15.98981  -33.48052 16.92891 1.000 87.54493  ? 111 GOA B  O   1 
HETATM 651 O O2  . GOA C 2 1  ? 17.73000  -30.70926 15.94768 1.000 104.53275 ? 111 GOA B  O2  1 
HETATM 652 C C   . V4F C 2 2  ? 16.08503  -28.52609 13.96397 1.000 112.76904 ? 112 V4F B  C   1 
HETATM 653 C CAF . V4F C 2 2  ? 15.94420  -29.64699 10.43050 1.000 130.86230 ? 112 V4F B  CAF 1 
HETATM 654 C CAD . V4F C 2 2  ? 16.25537  -28.93072 11.57222 1.000 122.20825 ? 112 V4F B  CAD 1 
HETATM 655 C CAE . V4F C 2 2  ? 16.01976  -29.38659 12.87414 1.000 117.31150 ? 112 V4F B  CAE 1 
HETATM 656 C CAL . V4F C 2 2  ? 15.85156  -31.04216 10.76669 1.000 129.38528 ? 112 V4F B  CAL 1 
HETATM 657 C CAM . V4F C 2 2  ? 15.72968  -31.45845 12.12000 1.000 124.26886 ? 112 V4F B  CAM 1 
HETATM 658 C CAJ . V4F C 2 2  ? 15.49548  -32.75380 12.56801 1.000 120.47805 ? 112 V4F B  CAJ 1 
HETATM 659 C CAK . V4F C 2 2  ? 15.40084  -33.73465 11.58009 1.000 124.03839 ? 112 V4F B  CAK 1 
HETATM 660 C CAG . V4F C 2 2  ? 15.52591  -33.40146 10.21615 1.000 132.55359 ? 112 V4F B  CAG 1 
HETATM 661 C CAI . V4F C 2 2  ? 15.75988  -32.08470 9.85584  1.000 136.73681 ? 112 V4F B  CAI 1 
HETATM 662 C C01 . V4F C 2 2  ? 15.73414  -29.95624 8.07369  1.000 139.55512 ? 112 V4F B  C01 1 
HETATM 663 C CA  . V4F C 2 2  ? 15.39681  -33.11078 13.96369 1.000 109.14129 ? 112 V4F B  CA  1 
HETATM 664 N NAH . V4F C 2 2  ? 15.73232  -30.62062 13.10615 1.000 119.35514 ? 112 V4F B  NAH 1 
HETATM 665 N N   . V4F C 2 2  ? 16.14008  -32.25490 14.93614 1.000 103.17447 ? 112 V4F B  N   1 
HETATM 666 O O   . V4F C 2 2  ? 17.02944  -27.78456 13.94340 1.000 120.27268 ? 112 V4F B  O   1 
HETATM 667 O O01 . V4F C 2 2  ? 16.18071  -29.12771 9.12291  1.000 135.56570 ? 112 V4F B  O01 1 
HETATM 668 O O3  . V4F C 2 2  ? 16.80708  -30.34366 6.26115  1.000 152.16002 ? 112 V4F B  O3  1 
HETATM 669 O O2  . V4F C 2 2  ? 16.02644  -28.05814 6.40391  1.000 156.15544 ? 112 V4F B  O2  1 
HETATM 670 O O1  . V4F C 2 2  ? 14.46900  -29.95157 5.81841  1.000 147.82616 ? 112 V4F B  O1  1 
HETATM 671 P P   . V4F C 2 2  ? 15.71996  -29.50143 6.44789  1.000 159.40487 ? 112 V4F B  P   1 
HETATM 672 C C   . V53 C 2 3  ? 12.67356  -31.63599 17.59866 1.000 93.61462  ? 113 V53 B  C   1 
HETATM 673 C CAF . V53 C 2 3  ? 13.95459  -28.96494 19.70778 1.000 101.68574 ? 113 V53 B  CAF 1 
HETATM 674 C CAD . V53 C 2 3  ? 13.39964  -30.17526 19.30360 1.000 94.80916  ? 113 V53 B  CAD 1 
HETATM 675 C CAJ . V53 C 2 3  ? 13.48090  -30.58112 17.96584 1.000 93.87079  ? 113 V53 B  CAJ 1 
HETATM 676 C CAL . V53 C 2 3  ? 14.73921  -28.35738 18.68937 1.000 93.62927  ? 113 V53 B  CAL 1 
HETATM 677 C CAM . V53 C 2 3  ? 14.75338  -28.84774 17.37776 1.000 94.93263  ? 113 V53 B  CAM 1 
HETATM 678 C CA  . V53 C 2 3  ? 15.40517  -28.23105 16.32097 1.000 97.41207  ? 113 V53 B  CA  1 
HETATM 679 C CAK . V53 C 2 3  ? 16.16514  -27.10160 16.60298 1.000 94.26064  ? 113 V53 B  CAK 1 
HETATM 680 C CAG . V53 C 2 3  ? 16.15673  -26.58737 17.92724 1.000 92.30677  ? 113 V53 B  CAG 1 
HETATM 681 C CAI . V53 C 2 3  ? 15.45201  -27.20441 18.97694 1.000 95.55092  ? 113 V53 B  CAI 1 
HETATM 682 C C01 . V53 C 2 3  ? 13.76745  -29.34469 22.18168 1.000 118.11204 ? 113 V53 B  C01 1 
HETATM 683 N NAH . V53 C 2 3  ? 14.10438  -29.90682 17.03392 1.000 96.00509  ? 113 V53 B  NAH 1 
HETATM 684 N N   . V53 C 2 3  ? 15.48902  -28.88362 15.12283 1.000 106.50504 ? 113 V53 B  N   1 
HETATM 685 O O   . V53 C 2 3  ? 12.30269  -32.39542 18.50686 1.000 86.25917  ? 113 V53 B  O   1 
HETATM 686 O O01 . V53 C 2 3  ? 14.14099  -28.50773 21.06170 1.000 110.77646 ? 113 V53 B  O01 1 
HETATM 687 O O1  . V53 C 2 3  ? 13.07441  -27.69039 23.86252 1.000 134.73435 ? 113 V53 B  O1  1 
HETATM 688 O O2  . V53 C 2 3  ? 15.52419  -28.11133 24.07179 1.000 135.93461 ? 113 V53 B  O2  1 
HETATM 689 O O3  . V53 C 2 3  ? 13.91496  -29.88397 24.68440 1.000 150.38240 ? 113 V53 B  O3  1 
HETATM 690 P P   . V53 C 2 3  ? 14.17038  -28.66598 23.87217 1.000 140.91416 ? 113 V53 B  P   1 
HETATM 691 C C   . V4F C 2 4  ? 12.64461  -28.39736 13.49053 1.000 108.20946 ? 114 V4F B  C   1 
HETATM 692 C CAF . V4F C 2 4  ? 12.58327  -31.11221 10.99427 1.000 124.30713 ? 114 V4F B  CAF 1 
HETATM 693 C CAD . V4F C 2 4  ? 12.70895  -29.83685 11.56735 1.000 119.39751 ? 114 V4F B  CAD 1 
HETATM 694 C CAE . V4F C 2 4  ? 12.51119  -29.64697 12.92957 1.000 114.02881 ? 114 V4F B  CAE 1 
HETATM 695 C CAL . V4F C 2 4  ? 12.25561  -32.16534 11.94403 1.000 120.08066 ? 114 V4F B  CAL 1 
HETATM 696 C CAM . V4F C 2 4  ? 12.11900  -31.88245 13.33151 1.000 115.74204 ? 114 V4F B  CAM 1 
HETATM 697 C CAJ . V4F C 2 4  ? 11.67411  -32.83834 14.26652 1.000 108.09369 ? 114 V4F B  CAJ 1 
HETATM 698 C CAK . V4F C 2 4  ? 11.60505  -34.15715 13.87149 1.000 103.48382 ? 114 V4F B  CAK 1 
HETATM 699 C CAG . V4F C 2 4  ? 11.75587  -34.51773 12.54784 1.000 113.48469 ? 114 V4F B  CAG 1 
HETATM 700 C CAI . V4F C 2 4  ? 12.06844  -33.51200 11.63363 1.000 122.20545 ? 114 V4F B  CAI 1 
HETATM 701 C C01 . V4F C 2 4  ? 12.74421  -32.52184 8.93085  1.000 142.41427 ? 114 V4F B  C01 1 
HETATM 702 C CA  . V4F C 2 4  ? 11.70507  -32.84706 15.66230 1.000 98.49593  ? 114 V4F B  CA  1 
HETATM 703 N NAH . V4F C 2 4  ? 12.22081  -30.64100 13.75774 1.000 112.22653 ? 114 V4F B  NAH 1 
HETATM 704 N N   . V4F C 2 4  ? 12.49205  -31.82637 16.22235 1.000 92.54807  ? 114 V4F B  N   1 
HETATM 705 O O   . V4F C 2 4  ? 13.44932  -27.65018 12.97178 1.000 108.17953 ? 114 V4F B  O   1 
HETATM 706 O O01 . V4F C 2 4  ? 12.80170  -31.23416 9.56722  1.000 134.63742 ? 114 V4F B  O01 1 
HETATM 707 O O3  . V4F C 2 4  ? 11.13877  -32.71566 7.38540  1.000 171.49253 ? 114 V4F B  O3  1 
HETATM 708 O O2  . V4F C 2 4  ? 12.96644  -34.37979 7.11956  1.000 163.36378 ? 114 V4F B  O2  1 
HETATM 709 O O1  . V4F C 2 4  ? 13.18598  -32.14378 6.03363  1.000 154.98540 ? 114 V4F B  O1  1 
HETATM 710 P P   . V4F C 2 4  ? 12.54798  -32.96108 7.14714  1.000 162.52155 ? 114 V4F B  P   1 
HETATM 711 C C   . V53 C 2 5  ? 10.17154  -29.67797 18.88198 1.000 100.96343 ? 115 V53 B  C   1 
HETATM 712 C CAF . V53 C 2 5  ? 11.50311  -26.35503 18.94746 1.000 103.29043 ? 115 V53 B  CAF 1 
HETATM 713 C CAD . V53 C 2 5  ? 11.02614  -27.55069 19.39269 1.000 100.61738 ? 115 V53 B  CAD 1 
HETATM 714 C CAJ . V53 C 2 5  ? 10.88120  -28.56701 18.47927 1.000 99.73054  ? 115 V53 B  CAJ 1 
HETATM 715 C CAL . V53 C 2 5  ? 12.03227  -26.29781 17.65376 1.000 96.37388  ? 115 V53 B  CAL 1 
HETATM 716 C CAM . V53 C 2 5  ? 11.78142  -27.31930 16.76804 1.000 96.63898  ? 115 V53 B  CAM 1 
HETATM 717 C CA  . V53 C 2 5  ? 12.26749  -27.21249 15.47646 1.000 95.77260  ? 115 V53 B  CA  1 
HETATM 718 C CAK . V53 C 2 5  ? 12.90849  -26.07647 14.99106 1.000 91.49401  ? 115 V53 B  CAK 1 
HETATM 719 C CAG . V53 C 2 5  ? 13.11176  -25.00294 15.87055 1.000 97.44770  ? 115 V53 B  CAG 1 
HETATM 720 C CAI . V53 C 2 5  ? 12.66333  -25.12778 17.20700 1.000 100.66732 ? 115 V53 B  CAI 1 
HETATM 721 C C01 . V53 C 2 5  ? 11.82113  -25.95172 21.18845 1.000 117.70008 ? 115 V53 B  C01 1 
HETATM 722 N NAH . V53 C 2 5  ? 11.21050  -28.41069 17.19281 1.000 96.58229  ? 115 V53 B  NAH 1 
HETATM 723 N N   . V53 C 2 5  ? 12.22649  -28.30387 14.76310 1.000 101.15704 ? 115 V53 B  N   1 
HETATM 724 O O   . V53 C 2 5  ? 10.34673  -30.15896 20.02399 1.000 104.90403 ? 115 V53 B  O   1 
HETATM 725 O O01 . V53 C 2 5  ? 11.91806  -25.41106 19.81014 1.000 110.56219 ? 115 V53 B  O01 1 
HETATM 726 O O1  . V53 C 2 5  ? 13.43267  -23.90134 21.91925 1.000 127.01883 ? 115 V53 B  O1  1 
HETATM 727 O O2  . V53 C 2 5  ? 10.94657  -24.22234 22.27335 1.000 147.80593 ? 115 V53 B  O2  1 
HETATM 728 O O3  . V53 C 2 5  ? 12.56521  -25.30926 23.78682 1.000 142.32083 ? 115 V53 B  O3  1 
HETATM 729 P P   . V53 C 2 5  ? 12.29093  -24.73721 22.43957 1.000 144.67323 ? 115 V53 B  P   1 
HETATM 730 C C   . V5F C 2 6  ? 8.67798   -29.51127 13.42048 1.000 107.23046 ? 116 V5F B  C   1 
HETATM 731 C C6  . V5F C 2 6  ? 8.06188   -30.70209 14.13720 1.000 109.79029 ? 116 V5F B  C6  1 
HETATM 732 C C2  . V5F C 2 6  ? 7.40220   -32.55697 16.28229 1.000 98.33413  ? 116 V5F B  C2  1 
HETATM 733 C C1  . V5F C 2 6  ? 8.20660   -31.45485 16.49322 1.000 102.32107 ? 116 V5F B  C1  1 
HETATM 734 C CA  . V5F C 2 6  ? 8.74865   -31.19179 17.74602 1.000 95.45652  ? 116 V5F B  CA  1 
HETATM 735 C C5  . V5F C 2 6  ? 8.47128   -31.97983 18.84770 1.000 89.40869  ? 116 V5F B  C5  1 
HETATM 736 C C4  . V5F C 2 6  ? 7.64571   -33.08617 18.66177 1.000 102.27129 ? 116 V5F B  C4  1 
HETATM 737 C C3  . V5F C 2 6  ? 7.11240   -33.38378 17.37796 1.000 106.06354 ? 116 V5F B  C3  1 
HETATM 738 C CB  . V5F C 2 6  ? 8.05725   -31.99375 13.28013 1.000 94.36005  ? 116 V5F B  CB  1 
HETATM 739 N N   . V5F C 2 6  ? 9.52696   -30.14387 17.78027 1.000 95.92400  ? 116 V5F B  N   1 
HETATM 740 O O   . V5F C 2 6  ? 9.88383   -29.43227 13.24557 1.000 105.11290 ? 116 V5F B  O   1 
HETATM 741 O O1  . V5F C 2 6  ? 8.54950   -30.61597 15.50196 1.000 107.36118 ? 116 V5F B  O1  1 
HETATM 742 C C   . V4F C 2 7  ? 7.06331   -27.92295 17.27175 1.000 102.00766 ? 117 V4F B  C   1 
HETATM 743 C CAF . V4F C 2 7  ? 9.18821   -24.94246 16.83541 1.000 101.75310 ? 117 V4F B  CAF 1 
HETATM 744 C CAD . V4F C 2 7  ? 8.43741   -25.88903 17.54306 1.000 99.15477  ? 117 V4F B  CAD 1 
HETATM 745 C CAE . V4F C 2 7  ? 7.88404   -26.91919 16.76768 1.000 102.61566 ? 117 V4F B  CAE 1 
HETATM 746 C CAL . V4F C 2 7  ? 9.42476   -25.09924 15.50379 1.000 98.93270  ? 117 V4F B  CAL 1 
HETATM 747 C CAM . V4F C 2 7  ? 8.83628   -26.13159 14.82056 1.000 98.47031  ? 117 V4F B  CAM 1 
HETATM 748 C CAJ . V4F C 2 7  ? 9.07999   -26.27667 13.47769 1.000 99.48717  ? 117 V4F B  CAJ 1 
HETATM 749 C CAK . V4F C 2 7  ? 9.84562   -25.33397 12.83502 1.000 100.75746 ? 117 V4F B  CAK 1 
HETATM 750 C CAG . V4F C 2 7  ? 10.42624  -24.28167 13.52787 1.000 106.55049 ? 117 V4F B  CAG 1 
HETATM 751 C CAI . V4F C 2 7  ? 10.20853  -24.14585 14.88994 1.000 100.45198 ? 117 V4F B  CAI 1 
HETATM 752 C C01 . V4F C 2 7  ? 9.93543   -23.67661 18.68884 1.000 115.18601 ? 117 V4F B  C01 1 
HETATM 753 C CA  . V4F C 2 7  ? 8.49196   -27.24882 12.68503 1.000 103.91597 ? 117 V4F B  CA  1 
HETATM 754 N NAH . V4F C 2 7  ? 8.06418   -26.99664 15.45784 1.000 101.24779 ? 117 V4F B  NAH 1 
HETATM 755 N N   . V4F C 2 7  ? 7.93810   -28.43755 13.37215 1.000 104.51280 ? 117 V4F B  N   1 
HETATM 756 O O   . V4F C 2 7  ? 7.11828   -28.21365 18.48011 1.000 100.71599 ? 117 V4F B  O   1 
HETATM 757 O O01 . V4F C 2 7  ? 9.91013   -23.88638 17.29984 1.000 102.97891 ? 117 V4F B  O01 1 
HETATM 758 O O3  . V4F C 2 7  ? 12.39322  -22.73547 19.21420 1.000 129.66131 ? 117 V4F B  O3  1 
HETATM 759 O O2  . V4F C 2 7  ? 10.23158  -22.07011 20.24764 1.000 133.19025 ? 117 V4F B  O2  1 
HETATM 760 O O1  . V4F C 2 7  ? 10.81097  -21.38992 17.87808 1.000 119.26440 ? 117 V4F B  O1  1 
HETATM 761 P P   . V4F C 2 7  ? 10.96883  -22.31471 19.02261 1.000 136.40247 ? 117 V4F B  P   1 
HETATM 762 C C   . V53 C 2 8  ? 4.37542   -28.96945 11.72659 1.000 114.58418 ? 118 V53 B  C   1 
HETATM 763 C CAF . V53 C 2 8  ? 3.42954   -31.62046 14.07046 1.000 118.78909 ? 118 V53 B  CAF 1 
HETATM 764 C CAD . V53 C 2 8  ? 3.62230   -30.91256 12.89428 1.000 117.64509 ? 118 V53 B  CAD 1 
HETATM 765 C CAJ . V53 C 2 8  ? 4.43158   -29.77432 12.87681 1.000 113.24615 ? 118 V53 B  CAJ 1 
HETATM 766 C CAL . V53 C 2 8  ? 4.13233   -31.20434 15.19428 1.000 111.53797 ? 118 V53 B  CAL 1 
HETATM 767 C CAM . V53 C 2 8  ? 4.93248   -30.05309 15.16389 1.000 107.67271 ? 118 V53 B  CAM 1 
HETATM 768 C CA  . V53 C 2 8  ? 5.51921   -29.55642 16.35540 1.000 102.25384 ? 118 V53 B  CA  1 
HETATM 769 C CAK . V53 C 2 8  ? 5.46587   -30.33629 17.50370 1.000 99.03388  ? 118 V53 B  CAK 1 
HETATM 770 C CAG . V53 C 2 8  ? 4.67407   -31.48946 17.51909 1.000 106.51577 ? 118 V53 B  CAG 1 
HETATM 771 C CAI . V53 C 2 8  ? 4.01942   -31.94341 16.36922 1.000 110.46318 ? 118 V53 B  CAI 1 
HETATM 772 C C01 . V53 C 2 8  ? 2.22497   -33.31461 12.97100 1.000 134.78425 ? 118 V53 B  C01 1 
HETATM 773 N NAH . V53 C 2 8  ? 4.96216   -29.34152 14.02329 1.000 109.37870 ? 118 V53 B  NAH 1 
HETATM 774 N N   . V53 C 2 8  ? 6.38903   -28.55011 16.25111 1.000 100.24962 ? 118 V53 B  N   1 
HETATM 775 O O   . V53 C 2 8  ? 3.98774   -29.39663 10.62823 1.000 117.60362 ? 118 V53 B  O   1 
HETATM 776 O O01 . V53 C 2 8  ? 2.73683   -32.80458 14.20795 1.000 126.33917 ? 118 V53 B  O01 1 
HETATM 777 O O1  . V53 C 2 8  ? 0.27883   -34.38089 12.07161 1.000 151.22193 ? 118 V53 B  O1  1 
HETATM 778 O O2  . V53 C 2 8  ? 2.04277   -35.96134 12.87314 1.000 165.67452 ? 118 V53 B  O2  1 
HETATM 779 O O3  . V53 C 2 8  ? 0.63578   -34.81465 14.50315 1.000 160.11232 ? 118 V53 B  O3  1 
HETATM 780 P P   . V53 C 2 8  ? 1.19875   -34.77822 13.12726 1.000 168.89131 ? 118 V53 B  P   1 
HETATM 781 C C   . V4F C 2 9  ? 4.77427   -25.91297 15.74943 1.000 98.62327  ? 119 V4F B  C   1 
HETATM 782 C CAF . V4F C 2 9  ? 6.80103   -23.57334 13.82416 1.000 103.60102 ? 119 V4F B  CAF 1 
HETATM 783 C CAD . V4F C 2 9  ? 6.26796   -24.31167 14.88676 1.000 95.66898  ? 119 V4F B  CAD 1 
HETATM 784 C CAE . V4F C 2 9  ? 5.40681   -25.35272 14.63936 1.000 97.10020  ? 119 V4F B  CAE 1 
HETATM 785 C CAL . V4F C 2 9  ? 6.59568   -24.01565 12.46744 1.000 103.83931 ? 119 V4F B  CAL 1 
HETATM 786 C CAM . V4F C 2 9  ? 5.74893   -25.11569 12.29679 1.000 103.86679 ? 119 V4F B  CAM 1 
HETATM 787 C CAJ . V4F C 2 9  ? 5.46168   -25.58873 10.99323 1.000 108.92524 ? 119 V4F B  CAJ 1 
HETATM 788 C CAK . V4F C 2 9  ? 5.99881   -25.00227 9.84395  1.000 114.55313 ? 119 V4F B  CAK 1 
HETATM 789 C CAG . V4F C 2 9  ? 6.85309   -23.90964 9.99845  1.000 112.90503 ? 119 V4F B  CAG 1 
HETATM 790 C CAI . V4F C 2 9  ? 7.11301   -23.47280 11.29613 1.000 103.61675 ? 119 V4F B  CAI 1 
HETATM 791 C C01 . V4F C 2 9  ? 8.22155   -21.63439 13.37060 1.000 110.97307 ? 119 V4F B  C01 1 
HETATM 792 C CA  . V4F C 2 9  ? 4.63748   -26.68482 10.76938 1.000 111.30625 ? 119 V4F B  CA  1 
HETATM 793 N NAH . V4F C 2 9  ? 5.14972   -25.71282 13.35869 1.000 99.31865  ? 119 V4F B  NAH 1 
HETATM 794 N N   . V4F C 2 9  ? 4.66534   -27.64357 11.92119 1.000 111.44035 ? 119 V4F B  N   1 
HETATM 795 O O   . V4F C 2 9  ? 5.17687   -25.70115 16.90846 1.000 91.73937  ? 119 V4F B  O   1 
HETATM 796 O O01 . V4F C 2 9  ? 7.58610   -22.50223 14.29024 1.000 110.17112 ? 119 V4F B  O01 1 
HETATM 797 O O3  . V4F C 2 9  ? 7.80846   -19.23576 14.46658 1.000 126.26355 ? 119 V4F B  O3  1 
HETATM 798 O O2  . V4F C 2 9  ? 9.77726   -20.68660 15.18495 1.000 113.00158 ? 119 V4F B  O2  1 
HETATM 799 O O1  . V4F C 2 9  ? 9.46902   -19.83111 12.81190 1.000 112.96559 ? 119 V4F B  O1  1 
HETATM 800 P P   . V4F C 2 9  ? 8.87064   -20.20904 14.08453 1.000 109.83083 ? 119 V4F B  P   1 
HETATM 801 C C   . V53 C 2 10 ? 1.09926   -29.24094 12.09639 1.000 112.29972 ? 120 V53 B  C   1 
HETATM 802 C CAF . V53 C 2 10 ? 0.45294   -29.94172 15.83519 1.000 114.38758 ? 120 V53 B  CAF 1 
HETATM 803 C CAD . V53 C 2 10 ? 0.33716   -30.00622 14.40375 1.000 111.00781 ? 120 V53 B  CAD 1 
HETATM 804 C CAJ . V53 C 2 10 ? 1.09442   -29.16572 13.54986 1.000 107.04781 ? 120 V53 B  CAJ 1 
HETATM 805 C CAL . V53 C 2 10 ? 1.26722   -28.99958 16.41221 1.000 103.44642 ? 120 V53 B  CAL 1 
HETATM 806 C CAM . V53 C 2 10 ? 2.07045   -28.26606 15.56563 1.000 103.22388 ? 120 V53 B  CAM 1 
HETATM 807 C CA  . V53 C 2 10 ? 3.00079   -27.45600 16.23049 1.000 105.85138 ? 120 V53 B  CA  1 
HETATM 808 C CAK . V53 C 2 10 ? 3.08667   -27.35577 17.63903 1.000 103.73376 ? 120 V53 B  CAK 1 
HETATM 809 C CAG . V53 C 2 10 ? 2.29289   -28.13300 18.44765 1.000 100.98553 ? 120 V53 B  CAG 1 
HETATM 810 C CAI . V53 C 2 10 ? 1.40381   -28.97576 17.81134 1.000 101.92733 ? 120 V53 B  CAI 1 
HETATM 811 C C01 . V53 C 2 10 ? -1.10413  -31.67923 16.30898 1.000 131.63573 ? 120 V53 B  C01 1 
HETATM 812 N NAH . V53 C 2 10 ? 1.98685   -28.37809 14.19689 1.000 101.78281 ? 120 V53 B  NAH 1 
HETATM 813 N N   . V53 C 2 10 ? 3.77864   -26.77231 15.37836 1.000 103.67613 ? 120 V53 B  N   1 
HETATM 814 O O   . V53 C 2 10 ? 1.43718   -28.25399 11.37998 1.000 106.42501 ? 120 V53 B  O   1 
HETATM 815 O O01 . V53 C 2 10 ? -0.26159  -30.63194 16.81562 1.000 127.94821 ? 120 V53 B  O01 1 
HETATM 816 O O1  . V53 C 2 10 ? -2.77909  -33.02608 16.59160 1.000 149.60908 ? 120 V53 B  O1  1 
HETATM 817 O O2  . V53 C 2 10 ? -0.83204  -34.10866 17.66585 1.000 146.30709 ? 120 V53 B  O2  1 
HETATM 818 O O3  . V53 C 2 10 ? -2.02473  -32.21074 18.86686 1.000 143.86470 ? 120 V53 B  O3  1 
HETATM 819 P P   . V53 C 2 10 ? -1.74655  -32.95239 17.61714 1.000 153.98209 ? 120 V53 B  P   1 
HETATM 820 O OXT . V53 C 2 10 ? 0.54176   -30.17194 11.42507 1.000 112.35395 ? 120 V53 B  OXT 1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . MET A 1  ? 1.83882 2.17049 1.50938 -0.04769 -0.45037 -0.10965 1  MET AA N   
2   C CA  . MET A 1  ? 1.88876 2.20537 1.55556 -0.06217 -0.44651 -0.11811 1  MET AA CA  
3   C C   . MET A 1  ? 2.02709 2.31059 1.64928 -0.05723 -0.42033 -0.12344 1  MET AA C   
4   O O   . MET A 1  ? 2.07292 2.33605 1.67735 -0.06747 -0.41800 -0.12819 1  MET AA O   
5   C CB  . MET A 1  ? 1.79201 2.10618 1.46453 -0.08178 -0.46875 -0.11743 1  MET AA CB  
6   C CG  . MET A 1  ? 1.88143 2.17515 1.54323 -0.09342 -0.46481 -0.12712 1  MET AA CG  
7   S SD  . MET A 1  ? 2.09297 2.39264 1.76743 -0.08946 -0.44819 -0.13900 1  MET AA SD  
8   C CE  . MET A 1  ? 1.93358 2.28150 1.67281 -0.08851 -0.46270 -0.13760 1  MET AA CE  
9   N N   . VAL A 2  ? 1.97705 2.25665 1.58467 -0.04094 -0.40066 -0.12280 2  VAL AA N   
10  C CA  . VAL A 2  ? 1.92648 2.17886 1.49822 -0.03616 -0.37702 -0.12664 2  VAL AA CA  
11  C C   . VAL A 2  ? 1.93676 2.19536 1.51582 -0.02978 -0.36251 -0.13383 2  VAL AA C   
12  O O   . VAL A 2  ? 1.94184 2.24472 1.54629 -0.01131 -0.36400 -0.14250 2  VAL AA O   
13  C CB  . VAL A 2  ? 2.03251 2.26905 1.57389 -0.02316 -0.36504 -0.11958 2  VAL AA CB  
14  C CG1 . VAL A 2  ? 2.03403 2.24556 1.54562 -0.01945 -0.34318 -0.12311 2  VAL AA CG1 
15  C CG2 . VAL A 2  ? 2.03161 2.26526 1.56786 -0.03108 -0.38044 -0.11295 2  VAL AA CG2 
16  N N   . LYS A 3  ? 1.98991 2.23370 1.55648 -0.03472 -0.35071 -0.14074 3  LYS AA N   
17  C CA  . LYS A 3  ? 1.98404 2.23213 1.55555 -0.03108 -0.33718 -0.14834 3  LYS AA CA  
18  C C   . LYS A 3  ? 1.96889 2.19389 1.50556 -0.01777 -0.31282 -0.14784 3  LYS AA C   
19  O O   . LYS A 3  ? 1.95362 2.15866 1.46878 -0.01833 -0.30634 -0.14594 3  LYS AA O   
20  C CB  . LYS A 3  ? 1.95204 2.20088 1.53566 -0.04476 -0.34053 -0.15654 3  LYS AA CB  
21  C CG  . LYS A 3  ? 2.02523 2.26581 1.59697 -0.03942 -0.32012 -0.16308 3  LYS AA CG  
22  C CD  . LYS A 3  ? 1.92120 2.15888 1.49858 -0.05030 -0.32045 -0.16987 3  LYS AA CD  
23  C CE  . LYS A 3  ? 1.86830 2.12794 1.48005 -0.06313 -0.33887 -0.17420 3  LYS AA CE  
24  N NZ  . LYS A 3  ? 1.91367 2.17707 1.53401 -0.06879 -0.33069 -0.18368 3  LYS AA NZ  
25  N N   . VAL A 4  ? 1.87112 2.11228 1.40582 0.00011  -0.30002 -0.15459 4  VAL AA N   
26  C CA  . VAL A 4  ? 1.88143 2.09636 1.38114 0.01397  -0.27661 -0.15371 4  VAL AA CA  
27  C C   . VAL A 4  ? 1.98446 2.20229 1.48235 0.01661  -0.26304 -0.16511 4  VAL AA C   
28  O O   . VAL A 4  ? 1.93190 2.19990 1.44895 0.03371  -0.26149 -0.18298 4  VAL AA O   
29  C CB  . VAL A 4  ? 1.84810 2.08700 1.33537 0.05007  -0.26903 -0.15884 4  VAL AA CB  
30  C CG1 . VAL A 4  ? 1.99293 2.19558 1.44107 0.06459  -0.24424 -0.15679 4  VAL AA CG1 
31  C CG2 . VAL A 4  ? 1.86670 2.09811 1.35376 0.04635  -0.28155 -0.14644 4  VAL AA CG2 
32  N N   . LYS A 5  ? 2.00575 2.18536 1.48373 0.00630  -0.25258 -0.15982 5  LYS AA N   
33  C CA  . LYS A 5  ? 1.92494 2.09596 1.39614 0.00636  -0.23899 -0.16714 5  LYS AA CA  
34  C C   . LYS A 5  ? 1.80277 1.94931 1.24075 0.02334  -0.21726 -0.16536 5  LYS AA C   
35  O O   . LYS A 5  ? 1.76851 1.90140 1.19329 0.02950  -0.21423 -0.16111 5  LYS AA O   
36  C CB  . LYS A 5  ? 1.96159 2.13174 1.44267 -0.00582 -0.24534 -0.17006 5  LYS AA CB  
37  C CG  . LYS A 5  ? 1.90396 2.08896 1.40767 -0.01967 -0.26602 -0.16854 5  LYS AA CG  
38  C CD  . LYS A 5  ? 1.90135 2.08526 1.41344 -0.03124 -0.26958 -0.17343 5  LYS AA CD  
39  C CE  . LYS A 5  ? 1.83731 2.03495 1.37108 -0.04472 -0.28793 -0.17458 5  LYS AA CE  
40  N NZ  . LYS A 5  ? 1.85766 2.05125 1.39439 -0.05379 -0.28910 -0.17927 5  LYS AA NZ  
41  N N   . PHE A 6  ? 1.87091 2.03738 1.30067 0.04794  -0.20395 -0.17891 6  PHE AA N   
42  C CA  . PHE A 6  ? 1.93731 2.07986 1.33119 0.07387  -0.18208 -0.17886 6  PHE AA CA  
43  C C   . PHE A 6  ? 1.99521 2.13446 1.37533 0.08573  -0.16380 -0.19094 6  PHE AA C   
44  O O   . PHE A 6  ? 2.03997 2.21136 1.44044 0.08106  -0.16712 -0.20421 6  PHE AA O   
45  C CB  . PHE A 6  ? 1.94083 2.09998 1.31974 0.10941  -0.17683 -0.18242 6  PHE AA CB  
46  C CG  . PHE A 6  ? 1.99013 2.20204 1.38240 0.12966  -0.17587 -0.20105 6  PHE AA CG  
47  C CD1 . PHE A 6  ? 1.97844 2.24479 1.41736 0.11318  -0.20057 -0.20799 6  PHE AA CD1 
48  C CD2 . PHE A 6  ? 1.98330 2.19026 1.34307 0.16435  -0.14723 -0.21183 6  PHE AA CD2 
49  C CE1 . PHE A 6  ? 1.95384 2.28699 1.41952 0.12570  -0.20251 -0.22936 6  PHE AA CE1 
50  C CE2 . PHE A 6  ? 1.97150 2.23736 1.34733 0.18082  -0.14095 -0.23316 6  PHE AA CE2 
51  C CZ  . PHE A 6  ? 1.97905 2.31244 1.42075 0.15688  -0.17003 -0.24056 6  PHE AA CZ  
52  N N   . LYS A 7  ? 1.95853 2.05969 1.30647 0.10012  -0.14426 -0.18671 7  LYS AA N   
53  C CA  . LYS A 7  ? 2.01426 2.10157 1.34267 0.11344  -0.12319 -0.19617 7  LYS AA CA  
54  C C   . LYS A 7  ? 1.98204 2.05931 1.27578 0.15637  -0.09792 -0.20157 7  LYS AA C   
55  O O   . LYS A 7  ? 1.85115 1.90133 1.12189 0.17556  -0.09139 -0.19090 7  LYS AA O   
56  C CB  . LYS A 7  ? 1.91370 1.96339 1.23318 0.09907  -0.11798 -0.18697 7  LYS AA CB  
57  C CG  . LYS A 7  ? 1.96543 2.00560 1.27762 0.09827  -0.10454 -0.19577 7  LYS AA CG  
58  C CD  . LYS A 7  ? 1.92002 1.95086 1.24654 0.07225  -0.11449 -0.18985 7  LYS AA CD  
59  C CE  . LYS A 7  ? 1.76937 1.78101 1.08072 0.07906  -0.09869 -0.19560 7  LYS AA CE  
60  N NZ  . LYS A 7  ? 1.72111 1.73860 1.04594 0.07473  -0.11464 -0.19640 7  LYS AA NZ  
61  N N   . TYR A 8  ? 2.02517 2.12551 1.31746 0.17124  -0.08151 -0.21802 8  TYR AA N   
62  C CA  . TYR A 8  ? 2.03812 2.11859 1.29493 0.21305  -0.04246 -0.22272 8  TYR AA CA  
63  C C   . TYR A 8  ? 2.04035 2.08430 1.27774 0.21744  -0.01227 -0.22744 8  TYR AA C   
64  O O   . TYR A 8  ? 2.13195 2.20912 1.39176 0.20407  -0.01079 -0.24393 8  TYR AA O   
65  C CB  . TYR A 8  ? 2.06399 2.20609 1.36020 0.22229  -0.03571 -0.23560 8  TYR AA CB  
66  N N   . LYS A 9  ? 2.06649 2.04378 1.26519 0.23679  0.01214  -0.21337 9  LYS AA N   
67  C CA  . LYS A 9  ? 2.10227 2.03461 1.28036 0.24287  0.04101  -0.21354 9  LYS AA CA  
68  C C   . LYS A 9  ? 2.09943 2.05169 1.30068 0.20848  0.01759  -0.22090 9  LYS AA C   
69  O O   . LYS A 9  ? 2.16346 2.10365 1.36024 0.20792  0.03812  -0.22917 9  LYS AA O   
70  C CB  . LYS A 9  ? 2.18569 2.10865 1.35721 0.26835  0.09107  -0.22224 9  LYS AA CB  
71  N N   . GLY A 10 ? 2.06532 2.04217 1.29283 0.17917  -0.02050 -0.21578 10 GLY AA N   
72  C CA  . GLY A 10 ? 2.03728 2.02666 1.28868 0.14610  -0.03880 -0.21803 10 GLY AA CA  
73  C C   . GLY A 10 ? 2.11347 2.14853 1.39720 0.12360  -0.05476 -0.22957 10 GLY AA C   
74  O O   . GLY A 10 ? 2.10882 2.14693 1.41044 0.09668  -0.06815 -0.22887 10 GLY AA O   
75  N N   . GLU A 11 ? 2.14938 2.22258 1.44440 0.13490  -0.05435 -0.24010 11 GLU AA N   
76  C CA  . GLU A 11 ? 2.19066 2.32153 1.52805 0.11384  -0.07421 -0.25361 11 GLU AA CA  
77  C C   . GLU A 11 ? 2.15913 2.31797 1.52604 0.09828  -0.10657 -0.24447 11 GLU AA C   
78  O O   . GLU A 11 ? 2.21560 2.37513 1.57181 0.11620  -0.10640 -0.23896 11 GLU AA O   
79  C CB  . GLU A 11 ? 2.22202 2.39595 1.56745 0.13312  -0.05059 -0.27716 11 GLU AA CB  
80  C CG  . GLU A 11 ? 2.20730 2.46205 1.61044 0.10879  -0.07666 -0.29438 11 GLU AA CG  
81  C CD  . GLU A 11 ? 2.43158 2.71111 1.90455 0.11061  -0.04563 -0.29200 11 GLU AA CD  
82  O OE1 . GLU A 11 ? 2.38581 2.61847 1.85012 0.13537  -0.00029 -0.28026 11 GLU AA OE1 
83  O OE2 . GLU A 11 ? 2.71861 3.05636 2.26507 0.08451  -0.06587 -0.29601 11 GLU AA OE2 
84  N N   . GLU A 12 ? 2.23241 2.40187 1.63161 0.06651  -0.13081 -0.23958 12 GLU AA N   
85  C CA  . GLU A 12 ? 2.18282 2.36745 1.60882 0.05041  -0.15685 -0.22887 12 GLU AA CA  
86  C C   . GLU A 12 ? 2.10854 2.36169 1.57049 0.05441  -0.16765 -0.24494 12 GLU AA C   
87  O O   . GLU A 12 ? 2.07928 2.37737 1.56953 0.04701  -0.16714 -0.26366 12 GLU AA O   
88  C CB  . GLU A 12 ? 2.15731 2.31881 1.60002 0.01932  -0.17310 -0.21667 12 GLU AA CB  
89  C CG  . GLU A 12 ? 2.18495 2.29314 1.60190 0.01211  -0.16767 -0.20041 12 GLU AA CG  
90  C CD  . GLU A 12 ? 2.27767 2.38029 1.68375 0.02236  -0.16933 -0.19138 12 GLU AA CD  
91  O OE1 . GLU A 12 ? 2.24277 2.35750 1.65656 0.02212  -0.17768 -0.18749 12 GLU AA OE1 
92  O OE2 . GLU A 12 ? 2.29299 2.38072 1.68492 0.03171  -0.16384 -0.18860 12 GLU AA OE2 
93  N N   . LYS A 13 ? 2.08455 2.35005 1.54849 0.06453  -0.17685 -0.23926 13 LYS AA N   
94  C CA  . LYS A 13 ? 1.97535 2.31106 1.47807 0.06783  -0.19029 -0.25397 13 LYS AA CA  
95  C C   . LYS A 13 ? 1.86648 2.19361 1.38540 0.05395  -0.21495 -0.23585 13 LYS AA C   
96  O O   . LYS A 13 ? 1.90231 2.17048 1.39465 0.04654  -0.21496 -0.21525 13 LYS AA O   
97  C CB  . LYS A 13 ? 1.98761 2.34589 1.46593 0.10623  -0.16896 -0.26774 13 LYS AA CB  
98  C CG  . LYS A 13 ? 2.13636 2.47328 1.61490 0.11851  -0.12599 -0.27227 13 LYS AA CG  
99  C CD  . LYS A 13 ? 2.11505 2.44458 1.64899 0.13579  -0.08783 -0.25558 13 LYS AA CD  
100 C CE  . LYS A 13 ? 2.16547 2.47017 1.72566 0.14121  -0.03809 -0.25413 13 LYS AA CE  
101 N NZ  . LYS A 13 ? 2.01182 2.25741 1.54459 0.17653  0.00801  -0.23720 13 LYS AA NZ  
102 N N   . GLU A 14 ? 1.82390 2.21113 1.38993 0.04744  -0.23522 -0.24470 14 GLU AA N   
103 C CA  . GLU A 14 ? 1.89800 2.26794 1.47595 0.03308  -0.25686 -0.22642 14 GLU AA CA  
104 C C   . GLU A 14 ? 1.84447 2.28535 1.46751 0.04143  -0.27456 -0.23772 14 GLU AA C   
105 O O   . GLU A 14 ? 1.82460 2.33325 1.48972 0.04263  -0.27693 -0.26005 14 GLU AA O   
106 C CB  . GLU A 14 ? 1.98106 2.31662 1.57166 -0.00015 -0.26965 -0.21454 14 GLU AA CB  
107 C CG  . GLU A 14 ? 2.08100 2.39394 1.67650 -0.01342 -0.28925 -0.19762 14 GLU AA CG  
108 C CD  . GLU A 14 ? 2.19006 2.55948 1.83759 -0.02058 -0.31095 -0.20621 14 GLU AA CD  
109 O OE1 . GLU A 14 ? 2.45185 2.85402 2.13275 -0.03159 -0.31399 -0.21911 14 GLU AA OE1 
110 O OE2 . GLU A 14 ? 2.18486 2.56342 1.84221 -0.01761 -0.32580 -0.19909 14 GLU AA OE2 
111 N N   . VAL A 15 ? 1.92742 2.35585 1.54148 0.05038  -0.28433 -0.22436 15 VAL AA N   
112 C CA  . VAL A 15 ? 1.84836 2.34130 1.50756 0.06151  -0.30414 -0.23157 15 VAL AA CA  
113 C C   . VAL A 15 ? 1.89164 2.34652 1.54495 0.04994  -0.32122 -0.20953 15 VAL AA C   
114 O O   . VAL A 15 ? 1.94376 2.32912 1.55030 0.04238  -0.31209 -0.19189 15 VAL AA O   
115 C CB  . VAL A 15 ? 1.80232 2.31434 1.44996 0.10179  -0.28131 -0.23766 15 VAL AA CB  
116 C CG1 . VAL A 15 ? 1.86905 2.32269 1.43743 0.12505  -0.27230 -0.22498 15 VAL AA CG1 
117 C CG2 . VAL A 15 ? 1.80738 2.35221 1.54384 0.10582  -0.27741 -0.22699 15 VAL AA CG2 
118 N N   . ASP A 16 ? 1.94226 2.44099 1.64848 0.04302  -0.34695 -0.21036 16 ASP AA N   
119 C CA  . ASP A 16 ? 1.96064 2.42275 1.65886 0.03081  -0.36384 -0.19049 16 ASP AA CA  
120 C C   . ASP A 16 ? 1.91566 2.38849 1.60033 0.06168  -0.36450 -0.18603 16 ASP AA C   
121 O O   . ASP A 16 ? 1.81649 2.34729 1.52188 0.09443  -0.36242 -0.19977 16 ASP AA O   
122 C CB  . ASP A 16 ? 2.01547 2.50451 1.76921 0.00791  -0.39142 -0.18993 16 ASP AA CB  
123 C CG  . ASP A 16 ? 2.08437 2.52061 1.81571 -0.01006 -0.40730 -0.16791 16 ASP AA CG  
124 O OD1 . ASP A 16 ? 1.98432 2.43424 1.72047 0.00431  -0.41688 -0.16241 16 ASP AA OD1 
125 O OD2 . ASP A 16 ? 2.18617 2.56509 1.89241 -0.03760 -0.40975 -0.15610 16 ASP AA OD2 
126 N N   . THR A 17 ? 2.04083 2.45968 1.69268 0.05158  -0.36837 -0.16645 17 THR AA N   
127 C CA  . THR A 17 ? 1.98066 2.39884 1.61384 0.07895  -0.36832 -0.15949 17 THR AA CA  
128 C C   . THR A 17 ? 1.91114 2.40820 1.60094 0.10757  -0.38764 -0.17008 17 THR AA C   
129 O O   . THR A 17 ? 1.80896 2.32366 1.48551 0.14708  -0.38174 -0.17071 17 THR AA O   
130 C CB  . THR A 17 ? 2.05466 2.41806 1.66284 0.05463  -0.37595 -0.13876 17 THR AA CB  
131 O OG1 . THR A 17 ? 2.07312 2.36958 1.63294 0.03468  -0.35624 -0.12721 17 THR AA OG1 
132 C CG2 . THR A 17 ? 1.99315 2.36863 1.59681 0.08215  -0.38236 -0.13316 17 THR AA CG2 
133 N N   . SER A 18 ? 1.92619 2.46611 1.68134 0.08841  -0.41202 -0.17492 18 SER AA N   
134 C CA  . SER A 18 ? 1.81410 2.43409 1.64809 0.10968  -0.43459 -0.18286 18 SER AA CA  
135 C C   . SER A 18 ? 1.79944 2.45077 1.68788 0.13412  -0.40008 -0.18656 18 SER AA C   
136 O O   . SER A 18 ? 1.77529 2.41852 1.69852 0.15960  -0.37394 -0.17129 18 SER AA O   
137 C CB  . SER A 18 ? 1.80758 2.44866 1.70446 0.07582  -0.45835 -0.18422 18 SER AA CB  
138 O OG  . SER A 18 ? 1.85534 2.51129 1.76961 0.05855  -0.44889 -0.19787 18 SER AA OG  
139 N N   . LYS A 19 ? 1.82476 2.47356 1.71632 0.12132  -0.37818 -0.19615 19 LYS AA N   
140 C CA  . LYS A 19 ? 1.78975 2.43285 1.73900 0.13300  -0.32481 -0.19023 19 LYS AA CA  
141 C C   . LYS A 19 ? 1.77845 2.36381 1.67241 0.16681  -0.28009 -0.17546 19 LYS AA C   
142 O O   . LYS A 19 ? 1.76766 2.33838 1.70232 0.18216  -0.23045 -0.16738 19 LYS AA O   
143 C CB  . LYS A 19 ? 1.81248 2.46112 1.76851 0.11078  -0.31211 -0.20480 19 LYS AA CB  
144 C CG  . LYS A 19 ? 1.77194 2.46658 1.75770 0.07496  -0.35713 -0.22200 19 LYS AA CG  
145 C CD  . LYS A 19 ? 1.81151 2.50365 1.79772 0.05708  -0.33740 -0.23474 19 LYS AA CD  
146 C CE  . LYS A 19 ? 1.80491 2.47621 1.69384 0.04305  -0.36247 -0.24735 19 LYS AA CE  
147 N NZ  . LYS A 19 ? 1.80806 2.48889 1.69974 0.01484  -0.36767 -0.26270 19 LYS AA NZ  
148 N N   . ILE A 20 ? 1.79746 2.34780 1.59855 0.17794  -0.29692 -0.17224 20 ILE AA N   
149 C CA  . ILE A 20 ? 1.76227 2.25133 1.49441 0.20835  -0.25996 -0.16030 20 ILE AA CA  
150 C C   . ILE A 20 ? 1.70393 2.18722 1.47967 0.23512  -0.23655 -0.14214 20 ILE AA C   
151 O O   . ILE A 20 ? 1.66203 2.16731 1.45523 0.23678  -0.26713 -0.13740 20 ILE AA O   
152 C CB  . ILE A 20 ? 1.79876 2.25517 1.42173 0.20944  -0.28933 -0.16407 20 ILE AA CB  
153 C CG1 . ILE A 20 ? 1.91614 2.37971 1.50283 0.18284  -0.30897 -0.18277 20 ILE AA CG1 
154 C CG2 . ILE A 20 ? 1.78163 2.17295 1.33257 0.24231  -0.25568 -0.15110 20 ILE AA CG2 
155 C CD1 . ILE A 20 ? 2.04838 2.44454 1.58328 0.16083  -0.30985 -0.17028 20 ILE AA CD1 
156 N N   . LYS A 21 ? 1.72683 2.16834 1.49841 0.25934  -0.18213 -0.13139 21 LYS AA N   
157 C CA  . LYS A 21 ? 1.69905 2.12717 1.50769 0.28756  -0.15165 -0.11327 21 LYS AA CA  
158 C C   . LYS A 21 ? 1.78889 2.14811 1.49476 0.31698  -0.13579 -0.10163 21 LYS AA C   
159 O O   . LYS A 21 ? 1.76287 2.11877 1.44638 0.32795  -0.15807 -0.09380 21 LYS AA O   
160 C CB  . LYS A 21 ? 1.62523 2.05603 1.51611 0.29414  -0.09654 -0.10842 21 LYS AA CB  
161 C CG  . LYS A 21 ? 1.72345 2.20207 1.68680 0.26295  -0.10085 -0.12388 21 LYS AA CG  
162 C CD  . LYS A 21 ? 1.80669 2.31110 1.89035 0.26657  -0.05721 -0.11795 21 LYS AA CD  
163 C CE  . LYS A 21 ? 1.90456 2.35284 1.97764 0.29020  0.01376  -0.10767 21 LYS AA CE  
164 N NZ  . LYS A 21 ? 2.10699 2.58490 2.27843 0.27496  0.04585  -0.11360 21 LYS AA NZ  
165 N N   . LYS A 22 ? 1.76321 2.06421 1.39750 0.32963  -0.10227 -0.10116 22 LYS AA N   
166 C CA  . LYS A 22 ? 1.71599 1.94377 1.25272 0.35998  -0.08163 -0.08976 22 LYS AA CA  
167 C C   . LYS A 22 ? 1.78035 1.96972 1.20265 0.35576  -0.10626 -0.09996 22 LYS AA C   
168 O O   . LYS A 22 ? 1.84108 2.03416 1.24690 0.33844  -0.11099 -0.11382 22 LYS AA O   
169 C CB  . LYS A 22 ? 1.74123 1.91570 1.27974 0.38682  -0.01461 -0.07757 22 LYS AA CB  
170 C CG  . LYS A 22 ? 1.56842 1.76868 1.22063 0.39535  0.02602  -0.06653 22 LYS AA CG  
171 C CD  . LYS A 22 ? 1.60734 1.78870 1.26572 0.42413  0.03926  -0.04775 22 LYS AA CD  
172 C CE  . LYS A 22 ? 1.58519 1.71608 1.26561 0.45519  0.11286  -0.03099 22 LYS AA CE  
173 N NZ  . LYS A 22 ? 1.54554 1.62396 1.19319 0.49103  0.14294  -0.01137 22 LYS AA NZ  
174 N N   . VAL A 23 ? 1.78238 1.92807 1.12430 0.37490  -0.11606 -0.09218 23 VAL AA N   
175 C CA  . VAL A 23 ? 1.84255 1.94921 1.07688 0.37347  -0.13962 -0.10114 23 VAL AA CA  
176 C C   . VAL A 23 ? 1.71581 1.74250 0.86147 0.40806  -0.11395 -0.08801 23 VAL AA C   
177 O O   . VAL A 23 ? 1.79480 1.80915 0.93024 0.42394  -0.11697 -0.07580 23 VAL AA O   
178 C CB  . VAL A 23 ? 1.78971 1.93262 1.03585 0.34029  -0.19247 -0.10830 23 VAL AA CB  
179 C CG1 . VAL A 23 ? 1.75096 1.89190 0.99768 0.35009  -0.20673 -0.09614 23 VAL AA CG1 
180 C CG2 . VAL A 23 ? 1.90273 2.00403 1.15378 0.29634  -0.19142 -0.10744 23 VAL AA CG2 
181 N N   . TRP A 24 ? 1.75471 1.72674 0.86701 0.40461  -0.09280 -0.08851 24 TRP AA N   
182 C CA  . TRP A 24 ? 1.91276 1.80966 0.98428 0.42076  -0.06920 -0.07445 24 TRP AA CA  
183 C C   . TRP A 24 ? 1.94922 1.83381 1.04487 0.37753  -0.09051 -0.07849 24 TRP AA C   
184 O O   . TRP A 24 ? 1.98473 1.89166 1.10695 0.34861  -0.10007 -0.08897 24 TRP AA O   
185 C CB  . TRP A 24 ? 1.77012 1.61063 0.79573 0.45737  -0.01578 -0.06829 24 TRP AA CB  
186 N N   . ARG A 25 ? 1.95564 1.80100 1.03791 0.37787  -0.09098 -0.06945 25 ARG AA N   
187 C CA  . ARG A 25 ? 2.04703 1.87960 1.14797 0.34437  -0.10298 -0.07181 25 ARG AA CA  
188 C C   . ARG A 25 ? 2.11856 1.89273 1.18380 0.36532  -0.07830 -0.06807 25 ARG AA C   
189 O O   . ARG A 25 ? 2.19902 1.91892 1.22090 0.40117  -0.05553 -0.05716 25 ARG AA O   
190 C CB  . ARG A 25 ? 2.24385 2.07137 1.35321 0.33208  -0.11698 -0.06604 25 ARG AA CB  
191 C CG  . ARG A 25 ? 2.23241 2.05852 1.36662 0.29586  -0.12787 -0.06848 25 ARG AA CG  
192 C CD  . ARG A 25 ? 2.24392 2.07660 1.38906 0.28466  -0.14525 -0.06723 25 ARG AA CD  
193 N NE  . ARG A 25 ? 2.22449 2.08966 1.39989 0.25776  -0.16571 -0.07670 25 ARG AA NE  
194 C CZ  . ARG A 25 ? 2.22541 2.12634 1.42608 0.23660  -0.18245 -0.07815 25 ARG AA CZ  
195 N NH1 . ARG A 25 ? 2.24209 2.15417 1.44383 0.23888  -0.18513 -0.07100 25 ARG AA NH1 
196 N NH2 . ARG A 25 ? 2.21458 2.13809 1.43831 0.21344  -0.19623 -0.08618 25 ARG AA NH2 
197 N N   . ALA A 26 ? 2.10017 1.88311 1.18216 0.34458  -0.08094 -0.07604 26 ALA AA N   
198 C CA  . ALA A 26 ? 2.06544 1.79647 1.11928 0.35960  -0.06278 -0.07342 26 ALA AA CA  
199 C C   . ALA A 26 ? 1.93458 1.67452 1.01735 0.32700  -0.08071 -0.07863 26 ALA AA C   
200 O O   . ALA A 26 ? 1.83068 1.60104 0.94030 0.30278  -0.08784 -0.08704 26 ALA AA O   
201 C CB  . ALA A 26 ? 1.98977 1.71875 1.03033 0.37295  -0.04243 -0.07722 26 ALA AA CB  
202 N N   . GLY A 27 ? 2.00172 1.70725 1.07027 0.33563  -0.08552 -0.07369 27 GLY AA N   
203 C CA  . GLY A 27 ? 1.98368 1.67681 1.05422 0.33362  -0.10532 -0.08002 27 GLY AA CA  
204 C C   . GLY A 27 ? 1.91728 1.66617 1.02960 0.30285  -0.12740 -0.08928 27 GLY AA C   
205 O O   . GLY A 27 ? 1.91511 1.69358 1.04573 0.28957  -0.13761 -0.08876 27 GLY AA O   
206 N N   . LYS A 28 ? 1.79435 1.55269 0.91929 0.29277  -0.13454 -0.09714 28 LYS AA N   
207 C CA  . LYS A 28 ? 1.75326 1.56113 0.91636 0.26345  -0.15224 -0.10513 28 LYS AA CA  
208 C C   . LYS A 28 ? 1.75580 1.61110 0.94583 0.24144  -0.14953 -0.10775 28 LYS AA C   
209 O O   . LYS A 28 ? 1.82149 1.71803 1.04300 0.21545  -0.16353 -0.11288 28 LYS AA O   
210 C CB  . LYS A 28 ? 1.95162 1.75129 1.11819 0.26115  -0.16113 -0.11235 28 LYS AA CB  
211 C CG  . LYS A 28 ? 2.03267 1.78454 1.17230 0.28193  -0.16639 -0.11075 28 LYS AA CG  
212 C CD  . LYS A 28 ? 2.02153 1.74643 1.14916 0.29231  -0.16802 -0.11534 28 LYS AA CD  
213 C CE  . LYS A 28 ? 1.96355 1.67935 1.08121 0.29985  -0.15307 -0.11432 28 LYS AA CE  
214 N NZ  . LYS A 28 ? 2.04312 1.70163 1.12589 0.32587  -0.15007 -0.11315 28 LYS AA NZ  
215 N N   . ALA A 29 ? 1.74687 1.59347 0.92253 0.25173  -0.13083 -0.10373 29 ALA AA N   
216 C CA  . ALA A 29 ? 1.71497 1.59996 0.91138 0.23275  -0.12601 -0.10766 29 ALA AA CA  
217 C C   . ALA A 29 ? 1.77043 1.67558 0.96921 0.23400  -0.12432 -0.10345 29 ALA AA C   
218 O O   . ALA A 29 ? 1.86384 1.74018 1.03350 0.26330  -0.11611 -0.09620 29 ALA AA O   
219 C CB  . ALA A 29 ? 1.59844 1.46090 0.77552 0.24463  -0.10409 -0.10853 29 ALA AA CB  
220 N N   . VAL A 30 ? 1.65598 1.60261 0.87812 0.21865  -0.13415 -0.11017 30 VAL AA N   
221 C CA  . VAL A 30 ? 1.70494 1.67477 0.92457 0.23592  -0.13900 -0.11095 30 VAL AA CA  
222 C C   . VAL A 30 ? 1.76654 1.74420 0.96921 0.26274  -0.12375 -0.11914 30 VAL AA C   
223 O O   . VAL A 30 ? 1.75415 1.75796 0.97905 0.24253  -0.12875 -0.12902 30 VAL AA O   
224 C CB  . VAL A 30 ? 1.75576 1.77044 1.01954 0.19628  -0.16455 -0.11259 30 VAL AA CB  
225 C CG1 . VAL A 30 ? 1.72820 1.77157 0.99414 0.21589  -0.17463 -0.11356 30 VAL AA CG1 
226 C CG2 . VAL A 30 ? 1.82625 1.83178 1.10357 0.16995  -0.17367 -0.10602 30 VAL AA CG2 
227 N N   . SER A 31 ? 1.73229 1.68764 0.89540 0.30804  -0.10161 -0.11436 31 SER AA N   
228 C CA  . SER A 31 ? 1.70036 1.65609 0.84017 0.33921  -0.07285 -0.12040 31 SER AA CA  
229 C C   . SER A 31 ? 1.75534 1.76370 0.90419 0.35940  -0.07623 -0.12554 31 SER AA C   
230 O O   . SER A 31 ? 1.89763 1.89743 1.02936 0.38311  -0.07290 -0.11506 31 SER AA O   
231 C CB  . SER A 31 ? 1.68701 1.56975 0.77361 0.37777  -0.02925 -0.10844 31 SER AA CB  
232 O OG  . SER A 31 ? 1.74157 1.62585 0.81436 0.40540  0.01102  -0.11384 31 SER AA OG  
233 N N   . PHE A 32 ? 1.76463 1.82323 0.96121 0.34865  -0.07304 -0.13773 32 PHE AA N   
234 C CA  . PHE A 32 ? 1.72034 1.84559 1.01700 0.33275  -0.08431 -0.13483 32 PHE AA CA  
235 C C   . PHE A 32 ? 1.81573 1.97402 1.20754 0.32171  -0.05344 -0.13599 32 PHE AA C   
236 O O   . PHE A 32 ? 1.82464 1.96523 1.20770 0.31821  -0.03080 -0.14294 32 PHE AA O   
237 C CB  . PHE A 32 ? 1.73920 1.91832 1.04002 0.30292  -0.14253 -0.14879 32 PHE AA CB  
238 C CG  . PHE A 32 ? 1.81382 2.01379 1.11005 0.27718  -0.15862 -0.16745 32 PHE AA CG  
239 C CD1 . PHE A 32 ? 1.76384 2.01404 1.14541 0.25473  -0.15497 -0.17441 32 PHE AA CD1 
240 C CD2 . PHE A 32 ? 1.78709 1.93863 1.07543 0.24835  -0.15795 -0.16042 32 PHE AA CD2 
241 C CE1 . PHE A 32 ? 1.88143 2.15012 1.26061 0.23112  -0.16809 -0.19122 32 PHE AA CE1 
242 C CE2 . PHE A 32 ? 1.86359 2.02644 1.17695 0.21675  -0.16376 -0.16898 32 PHE AA CE2 
243 C CZ  . PHE A 32 ? 1.96960 2.19043 1.31354 0.21330  -0.17091 -0.18684 32 PHE AA CZ  
244 N N   . THR A 33 ? 1.85652 2.06383 1.34186 0.31633  -0.05426 -0.12924 33 THR AA N   
245 C CA  . THR A 33 ? 1.82071 2.07390 1.41755 0.30271  -0.03238 -0.13031 33 THR AA CA  
246 C C   . THR A 33 ? 1.78519 2.11888 1.46760 0.27337  -0.07593 -0.13866 33 THR AA C   
247 O O   . THR A 33 ? 1.71454 2.06901 1.40905 0.27653  -0.10347 -0.13274 33 THR AA O   
248 C CB  . THR A 33 ? 1.83835 2.07509 1.48664 0.32687  0.01461  -0.11309 33 THR AA CB  
249 O OG1 . THR A 33 ? 1.84471 2.12167 1.53934 0.32672  -0.01375 -0.10671 33 THR AA OG1 
250 C CG2 . THR A 33 ? 1.80297 1.95690 1.35804 0.36026  0.04891  -0.10132 33 THR AA CG2 
251 N N   . TYR A 34 ? 1.77396 2.14942 1.52119 0.24757  -0.07754 -0.15073 34 TYR AA N   
252 C CA  . TYR A 34 ? 1.73752 2.18656 1.56755 0.21816  -0.11805 -0.16024 34 TYR AA CA  
253 C C   . TYR A 34 ? 1.78794 2.27441 1.73500 0.20979  -0.08954 -0.15966 34 TYR AA C   
254 O O   . TYR A 34 ? 1.78477 2.24000 1.74593 0.22346  -0.03650 -0.15371 34 TYR AA O   
255 C CB  . TYR A 34 ? 1.77643 2.24193 1.56314 0.18945  -0.15816 -0.17911 34 TYR AA CB  
256 C CG  . TYR A 34 ? 1.85423 2.29903 1.62459 0.18194  -0.12995 -0.18847 34 TYR AA CG  
257 C CD1 . TYR A 34 ? 1.88509 2.26782 1.56035 0.19947  -0.10913 -0.18766 34 TYR AA CD1 
258 C CD2 . TYR A 34 ? 1.87228 2.35791 1.71883 0.15725  -0.12702 -0.19880 34 TYR AA CD2 
259 C CE1 . TYR A 34 ? 1.91534 2.27532 1.57067 0.19457  -0.08436 -0.19615 34 TYR AA CE1 
260 C CE2 . TYR A 34 ? 1.91854 2.38175 1.74532 0.15097  -0.10061 -0.20736 34 TYR AA CE2 
261 C CZ  . TYR A 34 ? 1.95970 2.35957 1.68995 0.17039  -0.07919 -0.20576 34 TYR AA CZ  
262 O OH  . TYR A 34 ? 1.98810 2.36146 1.69351 0.16676  -0.05383 -0.21384 34 TYR AA OH  
263 N N   . ASP A 35 ? 1.77694 2.32873 1.80793 0.18718  -0.12530 -0.16621 35 ASP AA N   
264 C CA  . ASP A 35 ? 1.80543 2.40213 1.95759 0.17485  -0.10723 -0.16819 35 ASP AA CA  
265 C C   . ASP A 35 ? 1.85183 2.48127 2.01996 0.14030  -0.13252 -0.18714 35 ASP AA C   
266 O O   . ASP A 35 ? 1.83821 2.51341 2.02930 0.11673  -0.18457 -0.19737 35 ASP AA O   
267 C CB  . ASP A 35 ? 1.87461 2.52048 2.11735 0.17604  -0.12897 -0.16197 35 ASP AA CB  
268 C CG  . ASP A 35 ? 1.94075 2.63102 2.31442 0.16549  -0.10616 -0.16383 35 ASP AA CG  
269 O OD1 . ASP A 35 ? 1.83018 2.50159 2.24918 0.18500  -0.05060 -0.15267 35 ASP AA OD1 
270 O OD2 . ASP A 35 ? 1.97308 2.71855 2.40803 0.13702  -0.14614 -0.17679 35 ASP AA OD2 
271 N N   . ASP A 36 ? 1.89437 2.49753 2.05175 0.13813  -0.09340 -0.19140 36 ASP AA N   
272 C CA  . ASP A 36 ? 1.96692 2.59902 2.14641 0.10629  -0.11036 -0.20880 36 ASP AA CA  
273 C C   . ASP A 36 ? 2.02799 2.70861 2.33779 0.09376  -0.09685 -0.20985 36 ASP AA C   
274 O O   . ASP A 36 ? 2.13582 2.80223 2.49011 0.09939  -0.04490 -0.20657 36 ASP AA O   
275 C CB  . ASP A 36 ? 1.98551 2.56719 2.09006 0.10915  -0.07912 -0.21391 36 ASP AA CB  
276 C CG  . ASP A 36 ? 1.97703 2.50405 2.07202 0.13820  -0.01231 -0.20056 36 ASP AA CG  
277 O OD1 . ASP A 36 ? 1.90754 2.43698 2.05952 0.15496  0.01417  -0.18756 36 ASP AA OD1 
278 O OD2 . ASP A 36 ? 2.05698 2.53384 2.07989 0.14576  0.01333  -0.20303 36 ASP AA OD2 
279 N N   . ASN A 37 ? 2.14910 3.17623 1.81774 -0.29776 -0.17140 0.05588  37 ASN AA N   
280 C CA  . ASN A 37 ? 2.12965 3.16257 1.78177 -0.32628 -0.17779 0.06447  37 ASN AA CA  
281 C C   . ASN A 37 ? 2.05205 3.13845 1.75026 -0.33061 -0.17727 0.07687  37 ASN AA C   
282 O O   . ASN A 37 ? 1.98387 3.11619 1.73051 -0.30352 -0.16617 0.07888  37 ASN AA O   
283 C CB  . ASN A 37 ? 2.31642 3.28254 1.90457 -0.35913 -0.18907 0.06144  37 ASN AA CB  
284 C CG  . ASN A 37 ? 2.23668 3.18121 1.78421 -0.37537 -0.19242 0.06003  37 ASN AA CG  
285 O OD1 . ASN A 37 ? 2.17180 3.11342 1.71067 -0.35461 -0.18417 0.05377  37 ASN AA OD1 
286 N ND2 . ASN A 37 ? 2.27273 3.19859 1.79092 -0.41190 -0.20433 0.06505  37 ASN AA ND2 
287 N N   . GLY A 38 ? 2.06742 3.14983 1.74997 -0.36389 -0.18686 0.08554  38 GLY AA N   
288 C CA  . GLY A 38 ? 1.99689 3.13075 1.71822 -0.36727 -0.18331 0.09792  38 GLY AA CA  
289 C C   . GLY A 38 ? 1.86197 3.00770 1.61565 -0.34521 -0.17764 0.09818  38 GLY AA C   
290 O O   . GLY A 38 ? 1.81276 3.00601 1.60662 -0.32911 -0.16713 0.10471  38 GLY AA O   
291 N N   . LYS A 39 ? 1.98409 3.08598 1.71954 -0.34081 -0.18365 0.09015  39 LYS AA N   
292 C CA  . LYS A 39 ? 2.02149 3.13009 1.78284 -0.32355 -0.18264 0.09071  39 LYS AA CA  
293 C C   . LYS A 39 ? 1.89504 3.02118 1.69290 -0.28248 -0.17243 0.08138  39 LYS AA C   
294 O O   . LYS A 39 ? 1.90845 3.04229 1.71020 -0.26811 -0.16525 0.07512  39 LYS AA O   
295 C CB  . LYS A 39 ? 2.02908 3.08475 1.75420 -0.33975 -0.19597 0.08808  39 LYS AA CB  
296 N N   . THR A 40 ? 1.75958 2.89574 1.58549 -0.26336 -0.17118 0.08114  40 THR AA N   
297 C CA  . THR A 40 ? 1.76265 2.90965 1.62384 -0.22563 -0.16437 0.07097  40 THR AA CA  
298 C C   . THR A 40 ? 1.86858 2.97700 1.72031 -0.21959 -0.17772 0.06212  40 THR AA C   
299 O O   . THR A 40 ? 1.94395 3.02455 1.76969 -0.23977 -0.18998 0.06685  40 THR AA O   
300 C CB  . THR A 40 ? 1.72049 2.90531 1.61926 -0.20711 -0.15327 0.07632  40 THR AA CB  
301 N N   . GLY A 41 ? 1.73316 2.84074 1.60443 -0.19292 -0.17578 0.04921  41 GLY AA N   
302 C CA  . GLY A 41 ? 1.60721 2.68712 1.47930 -0.18310 -0.18885 0.03985  41 GLY AA CA  
303 C C   . GLY A 41 ? 1.50741 2.61067 1.43785 -0.14324 -0.18525 0.02890  41 GLY AA C   
304 O O   . GLY A 41 ? 1.47803 2.61228 1.44077 -0.12176 -0.17014 0.02483  41 GLY AA O   
305 N N   . ARG A 42 ? 1.40193 2.48803 1.34697 -0.13254 -0.19938 0.02349  42 ARG AA N   
306 C CA  . ARG A 42 ? 1.26490 2.36705 1.27090 -0.09484 -0.19796 0.01208  42 ARG AA CA  
307 C C   . ARG A 42 ? 1.32174 2.37314 1.35659 -0.07259 -0.19108 -0.00259 42 ARG AA C   
308 O O   . ARG A 42 ? 1.44734 2.43096 1.45149 -0.08469 -0.18965 -0.00246 42 ARG AA O   
309 C CB  . ARG A 42 ? 1.21710 2.30751 1.23020 -0.08953 -0.20806 0.01612  42 ARG AA CB  
310 C CG  . ARG A 42 ? 1.33414 2.44072 1.34010 -0.09487 -0.19652 0.02762  42 ARG AA CG  
311 C CD  . ARG A 42 ? 1.33218 2.42627 1.33268 -0.09393 -0.20733 0.03320  42 ARG AA CD  
312 N NE  . ARG A 42 ? 1.37271 2.48757 1.39127 -0.07977 -0.19438 0.03543  42 ARG AA NE  
313 C CZ  . ARG A 42 ? 1.27349 2.39720 1.32966 -0.05085 -0.18525 0.02477  42 ARG AA CZ  
314 N NH1 . ARG A 42 ? 1.25132 2.36838 1.34219 -0.02943 -0.18651 0.00991  42 ARG AA NH1 
315 N NH2 . ARG A 42 ? 1.16165 2.30109 1.22165 -0.04351 -0.17366 0.02879  42 ARG AA NH2 
316 N N   . GLY A 43 ? 1.22554 2.29400 1.32176 -0.03813 -0.18017 -0.01507 43 GLY AA N   
317 C CA  . GLY A 43 ? 1.23466 2.24342 1.36959 -0.01286 -0.16602 -0.02919 43 GLY AA CA  
318 C C   . GLY A 43 ? 1.02717 2.06346 1.23853 0.02460  -0.16043 -0.04326 43 GLY AA C   
319 O O   . GLY A 43 ? 1.02211 2.12427 1.25506 0.03256  -0.16667 -0.04268 43 GLY AA O   
320 N N   . ALA A 44 ? 0.89962 1.88539 1.15466 0.04811  -0.14790 -0.05622 44 ALA AA N   
321 C CA  . ALA A 44 ? 0.86966 1.87740 1.20263 0.08287  -0.14199 -0.07127 44 ALA AA CA  
322 C C   . ALA A 44 ? 1.02262 1.96829 1.39716 0.10395  -0.11907 -0.08356 44 ALA AA C   
323 O O   . ALA A 44 ? 1.15817 2.03973 1.50609 0.09488  -0.11543 -0.08084 44 ALA AA O   
324 C CB  . ALA A 44 ? 0.76508 1.79909 1.12176 0.09098  -0.17080 -0.07348 44 ALA AA CB  
325 N N   . VAL A 45 ? 0.87232 1.83735 1.31107 0.13180  -0.10065 -0.09649 45 VAL AA N   
326 C CA  . VAL A 45 ? 1.01367 1.92882 1.51081 0.15719  -0.07800 -0.11006 45 VAL AA CA  
327 C C   . VAL A 45 ? 1.01144 1.96140 1.59447 0.18714  -0.08046 -0.12576 45 VAL AA C   
328 O O   . VAL A 45 ? 1.01478 2.00836 1.59686 0.18575  -0.09257 -0.12392 45 VAL AA O   
329 C CB  . VAL A 45 ? 1.02545 1.90876 1.51336 0.16151  -0.04049 -0.11121 45 VAL AA CB  
330 C CG1 . VAL A 45 ? 1.04386 1.90070 1.44289 0.13078  -0.03856 -0.09666 45 VAL AA CG1 
331 C CG2 . VAL A 45 ? 0.94655 1.88311 1.46914 0.17822  -0.02367 -0.11718 45 VAL AA CG2 
332 N N   . SER A 46 ? 1.06661 1.97759 1.71494 0.21113  -0.06308 -0.13898 46 SER AA N   
333 C CA  . SER A 46 ? 1.07771 1.97472 1.78326 0.22797  -0.05730 -0.14542 46 SER AA CA  
334 C C   . SER A 46 ? 1.14489 2.02328 1.84569 0.22960  -0.02417 -0.14100 46 SER AA C   
335 O O   . SER A 46 ? 1.22582 2.09507 1.92437 0.23562  0.00396  -0.14392 46 SER AA O   
336 C CB  . SER A 46 ? 1.20449 2.05172 1.97189 0.24687  -0.04930 -0.15422 46 SER AA CB  
337 O OG  . SER A 46 ? 1.30439 2.11217 2.09307 0.25851  -0.00851 -0.15665 46 SER AA OG  
338 N N   . GLU A 47 ? 1.05104 1.91527 1.75468 0.22700  -0.02548 -0.13458 47 GLU AA N   
339 C CA  . GLU A 47 ? 1.16252 2.00497 1.86177 0.22884  0.00457  -0.12859 47 GLU AA CA  
340 C C   . GLU A 47 ? 1.30112 2.09554 2.03704 0.24478  0.03927  -0.12846 47 GLU AA C   
341 O O   . GLU A 47 ? 1.31334 2.08975 2.03655 0.24779  0.06919  -0.12370 47 GLU AA O   
342 C CB  . GLU A 47 ? 1.10092 1.93247 1.80398 0.22576  -0.00133 -0.12237 47 GLU AA CB  
343 C CG  . GLU A 47 ? 1.20920 2.00626 1.92226 0.23153  0.03129  -0.11421 47 GLU AA CG  
344 C CD  . GLU A 47 ? 1.42210 2.18050 2.17879 0.24558  0.04607  -0.10891 47 GLU AA CD  
345 O OE1 . GLU A 47 ? 1.48811 2.24937 2.26657 0.24833  0.02506  -0.11408 47 GLU AA OE1 
346 O OE2 . GLU A 47 ? 1.37336 2.10095 2.13400 0.25497  0.07791  -0.09923 47 GLU AA OE2 
347 N N   . LYS A 48 ? 1.30203 2.07253 2.07691 0.25578  0.03613  -0.13266 48 LYS AA N   
348 C CA  . LYS A 48 ? 1.34740 2.06899 2.14474 0.27187  0.06910  -0.13096 48 LYS AA CA  
349 C C   . LYS A 48 ? 1.40153 2.11382 2.18503 0.27650  0.09289  -0.13770 48 LYS AA C   
350 O O   . LYS A 48 ? 1.44418 2.12543 2.21262 0.28416  0.12697  -0.13060 48 LYS AA O   
351 C CB  . LYS A 48 ? 1.36910 2.07021 2.20328 0.28068  0.05527  -0.13810 48 LYS AA CB  
352 C CG  . LYS A 48 ? 1.47829 2.17670 2.32432 0.28042  0.04376  -0.13335 48 LYS AA CG  
353 C CD  . LYS A 48 ? 1.48955 2.16887 2.37159 0.28793  0.02814  -0.14297 48 LYS AA CD  
354 C CE  . LYS A 48 ? 1.37100 2.05958 2.26304 0.28801  0.00933  -0.15169 48 LYS AA CE  
355 N NZ  . LYS A 48 ? 1.61266 2.28826 2.53874 0.29371  -0.01524 -0.15847 48 LYS AA NZ  
356 N N   . ASP A 49 ? 1.39015 2.13830 2.16511 0.27083  0.07323  -0.15081 49 ASP AA N   
357 C CA  . ASP A 49 ? 1.43093 2.17695 2.18850 0.27536  0.09455  -0.16185 49 ASP AA CA  
358 C C   . ASP A 49 ? 1.33069 2.11198 2.01899 0.26033  0.09921  -0.15338 49 ASP AA C   
359 O O   . ASP A 49 ? 1.80720 2.55415 2.41601 0.23810  0.09861  -0.14111 49 ASP AA O   
360 C CB  . ASP A 49 ? 1.33777 2.05125 2.05423 0.25750  0.07009  -0.15515 49 ASP AA CB  
361 C CG  . ASP A 49 ? 1.34814 2.04865 2.13501 0.27258  0.05370  -0.16425 49 ASP AA CG  
362 O OD1 . ASP A 49 ? 1.38265 2.05859 2.23179 0.29286  0.07340  -0.16979 49 ASP AA OD1 
363 O OD2 . ASP A 49 ? 1.34895 2.04459 2.10571 0.25797  0.02194  -0.15749 49 ASP AA OD2 
364 N N   . ALA A 50 ? 1.18025 1.97993 1.86159 0.25568  0.09816  -0.14418 50 ALA AA N   
365 C CA  . ALA A 50 ? 1.28067 2.12673 1.90141 0.24349  0.09851  -0.13824 50 ALA AA CA  
366 C C   . ALA A 50 ? 1.33185 2.13762 1.93532 0.25134  0.13717  -0.13428 50 ALA AA C   
367 O O   . ALA A 50 ? 1.31892 2.06825 1.95443 0.25942  0.15695  -0.12829 50 ALA AA O   
368 C CB  . ALA A 50 ? 1.25307 2.12970 1.85636 0.22846  0.07122  -0.12895 50 ALA AA CB  
369 N N   . PRO A 51 ? 1.13049 1.96831 1.67811 0.24729  0.14718  -0.13262 51 PRO AA N   
370 C CA  . PRO A 51 ? 1.16541 1.96343 1.68590 0.25468  0.18163  -0.12818 51 PRO AA CA  
371 C C   . PRO A 51 ? 1.18448 1.98309 1.69402 0.24676  0.17664  -0.11769 51 PRO AA C   
372 O O   . PRO A 51 ? 1.16807 2.00718 1.67392 0.23410  0.14659  -0.11313 51 PRO AA O   
373 C CB  . PRO A 51 ? 1.17988 1.97016 1.61188 0.23498  0.17966  -0.11855 51 PRO AA CB  
374 C CG  . PRO A 51 ? 1.09217 1.90822 1.49179 0.20574  0.13794  -0.11053 51 PRO AA CG  
375 C CD  . PRO A 51 ? 1.09845 1.91830 1.56661 0.21482  0.12261  -0.11984 51 PRO AA CD  
376 N N   . LYS A 52 ? 1.75323 1.72595 1.79165 -0.12932 -0.09423 0.61064  52 LYS AA N   
377 C CA  . LYS A 52 ? 1.69272 1.66058 1.77973 -0.11219 -0.08533 0.64068  52 LYS AA CA  
378 C C   . LYS A 52 ? 1.63004 1.64953 1.80159 -0.10449 -0.09026 0.68351  52 LYS AA C   
379 O O   . LYS A 52 ? 1.61203 1.63405 1.82931 -0.08427 -0.06859 0.70151  52 LYS AA O   
380 C CB  . LYS A 52 ? 1.60574 1.55874 1.68432 -0.11767 -0.10112 0.64462  52 LYS AA CB  
381 C CG  . LYS A 52 ? 1.51708 1.47243 1.65888 -0.09937 -0.09377 0.67929  52 LYS AA CG  
382 C CD  . LYS A 52 ? 1.61273 1.56076 1.75503 -0.10553 -0.11158 0.68846  52 LYS AA CD  
383 C CE  . LYS A 52 ? 1.65013 1.59127 1.85099 -0.08575 -0.10221 0.71793  52 LYS AA CE  
384 N NZ  . LYS A 52 ? 1.66361 1.65252 1.95449 -0.07608 -0.10721 0.76049  52 LYS AA NZ  
385 N N   . GLU A 53 ? 1.72566 1.78902 1.92136 -0.11972 -0.11592 0.69858  53 GLU AA N   
386 C CA  . GLU A 53 ? 1.71226 1.82566 1.99001 -0.11282 -0.12149 0.74020  53 GLU AA CA  
387 C C   . GLU A 53 ? 1.59797 1.72443 1.90759 -0.09627 -0.09676 0.74783  53 GLU AA C   
388 O O   . GLU A 53 ? 1.61669 1.76273 1.99656 -0.07720 -0.08436 0.77946  53 GLU AA O   
389 C CB  . GLU A 53 ? 1.67566 1.83195 1.96216 -0.13429 -0.14953 0.74689  53 GLU AA CB  
390 C CG  . GLU A 53 ? 1.64907 1.85612 2.01118 -0.12844 -0.15261 0.78382  53 GLU AA CG  
391 C CD  . GLU A 53 ? 1.76434 1.98913 2.18938 -0.12108 -0.16142 0.82080  53 GLU AA CD  
392 O OE1 . GLU A 53 ? 1.72676 1.91840 2.14179 -0.11370 -0.15726 0.81908  53 GLU AA OE1 
393 O OE2 . GLU A 53 ? 1.77851 2.05109 2.26141 -0.12469 -0.17436 0.85071  53 GLU AA OE2 
394 N N   . LEU A 54 ? 1.48596 1.60058 1.74556 -0.10233 -0.08749 0.71785  54 LEU AA N   
395 C CA  . LEU A 54 ? 1.49377 1.61836 1.77233 -0.08860 -0.06181 0.71939  54 LEU AA CA  
396 C C   . LEU A 54 ? 1.58456 1.68050 1.88046 -0.06423 -0.02937 0.72232  54 LEU AA C   
397 O O   . LEU A 54 ? 1.55966 1.68167 1.92862 -0.04415 -0.01243 0.75253  54 LEU AA O   
398 C CB  . LEU A 54 ? 1.45545 1.55968 1.66098 -0.10199 -0.05899 0.67879  54 LEU AA CB  
399 C CG  . LEU A 54 ? 1.45318 1.57386 1.67419 -0.09221 -0.03568 0.67907  54 LEU AA CG  
400 C CD1 . LEU A 54 ? 1.51451 1.69244 1.79300 -0.09608 -0.05003 0.70835  54 LEU AA CD1 
401 C CD2 . LEU A 54 ? 1.67857 1.76838 1.82031 -0.10486 -0.03176 0.63438  54 LEU AA CD2 
402 N N   . LEU A 55 ? 1.76046 1.80418 1.99844 -0.06485 -0.02187 0.69429  55 LEU AA N   
403 C CA  . LEU A 55 ? 1.73630 1.74896 1.98477 -0.04310 0.01026  0.69162  55 LEU AA CA  
404 C C   . LEU A 55 ? 1.75371 1.78532 2.08998 -0.02262 0.01497  0.73149  55 LEU AA C   
405 O O   . LEU A 55 ? 1.74145 1.77849 2.13223 0.00190  0.04552  0.74544  55 LEU AA O   
406 C CB  . LEU A 55 ? 1.79548 1.74878 1.96095 -0.05174 0.01144  0.65339  55 LEU AA CB  
407 C CG  . LEU A 55 ? 1.72369 1.64719 1.79937 -0.06804 0.01392  0.60770  55 LEU AA CG  
408 C CD1 . LEU A 55 ? 1.80831 1.68028 1.80761 -0.07925 0.00678  0.57394  55 LEU AA CD1 
409 C CD2 . LEU A 55 ? 1.73620 1.64757 1.80360 -0.05594 0.04829  0.59282  55 LEU AA CD2 
410 N N   . ASP A 56 ? 1.66322 1.71148 2.02065 -0.03219 -0.01422 0.75110  56 ASP AA N   
411 C CA  . ASP A 56 ? 1.68358 1.75400 2.12757 -0.01501 -0.01385 0.78995  56 ASP AA CA  
412 C C   . ASP A 56 ? 1.70488 1.82726 2.22662 -0.00250 -0.00443 0.82048  56 ASP AA C   
413 O O   . ASP A 56 ? 1.74395 1.87408 2.33733 0.02347  0.01984  0.84198  56 ASP AA O   
414 C CB  . ASP A 56 ? 1.74374 1.82206 2.18376 -0.03245 -0.04913 0.80119  56 ASP AA CB  
415 C CG  . ASP A 56 ? 1.74895 1.77687 2.13136 -0.03796 -0.05305 0.77841  56 ASP AA CG  
416 O OD1 . ASP A 56 ? 1.78914 1.77581 2.14040 -0.02697 -0.02829 0.75589  56 ASP AA OD1 
417 O OD2 . ASP A 56 ? 1.74122 1.77231 2.10701 -0.05447 -0.08027 0.78156  56 ASP AA OD2 
418 N N   . MET A 57 ? 1.59227 1.74871 2.10119 -0.01895 -0.01945 0.81989  57 MET AA N   
419 C CA  . MET A 57 ? 1.60850 1.81381 2.18734 -0.00719 -0.00846 0.84726  57 MET AA CA  
420 C C   . MET A 57 ? 1.65613 1.85098 2.25756 0.01807  0.03383  0.84340  57 MET AA C   
421 O O   . MET A 57 ? 1.75528 1.97421 2.44009 0.04198  0.05417  0.87220  57 MET AA O   
422 C CB  . MET A 57 ? 1.63262 1.86828 2.18079 -0.02960 -0.02798 0.83912  57 MET AA CB  
423 C CG  . MET A 57 ? 1.65976 1.90763 2.19093 -0.05351 -0.06628 0.84222  57 MET AA CG  
424 S SD  . MET A 57 ? 1.61903 1.89938 2.11658 -0.08010 -0.08959 0.82955  57 MET AA SD  
425 C CE  . MET A 57 ? 1.41634 1.75517 2.00355 -0.06444 -0.07618 0.86743  57 MET AA CE  
426 N N   . LEU A 58 ? 1.59898 1.75484 2.12819 0.01440  0.04996  0.80651  58 LEU AA N   
427 C CA  . LEU A 58 ? 1.59454 1.73892 2.13929 0.03739  0.09376  0.79898  58 LEU AA CA  
428 C C   . LEU A 58 ? 1.70218 1.82840 2.31034 0.06705  0.12028  0.81430  58 LEU AA C   
429 O O   . LEU A 58 ? 1.77427 1.92079 2.45676 0.09323  0.15189  0.83413  58 LEU AA O   
430 C CB  . LEU A 58 ? 1.61587 1.71784 2.06702 0.02613  0.10484  0.75398  58 LEU AA CB  
431 C CG  . LEU A 58 ? 1.65280 1.74567 2.11739 0.04887  0.15376  0.74376  58 LEU AA CG  
432 C CD1 . LEU A 58 ? 1.64695 1.79059 2.18887 0.06568  0.17543  0.77281  58 LEU AA CD1 
433 C CD2 . LEU A 58 ? 1.71016 1.77504 2.08259 0.03259  0.15976  0.70039  58 LEU AA CD2 
434 N N   . ALA A 59 ? 1.66950 1.75643 2.25055 0.06367  0.10831  0.80406  59 ALA AA N   
435 C CA  . ALA A 59 ? 1.74452 1.81082 2.38520 0.09108  0.13104  0.81549  59 ALA AA CA  
436 C C   . ALA A 59 ? 1.79056 1.90054 2.53869 0.10939  0.13181  0.85749  59 ALA AA C   
437 O O   . ALA A 59 ? 1.80112 1.91497 2.62150 0.13973  0.16690  0.86879  59 ALA AA O   
438 C CB  . ALA A 59 ? 1.70433 1.73161 2.30756 0.08084  0.10857  0.80541  59 ALA AA CB  
439 N N   . ARG A 60 ? 1.66545 1.81200 2.42417 0.09066  0.09520  0.87859  60 ARG AA N   
440 C CA  . ARG A 60 ? 1.66608 1.85771 2.52125 0.10343  0.09112  0.91808  60 ARG AA CA  
441 C C   . ARG A 60 ? 1.76964 1.98899 2.67867 0.12497  0.12547  0.92818  60 ARG AA C   
442 O O   . ARG A 60 ? 1.82228 2.05499 2.81970 0.15298  0.14836  0.94909  60 ARG AA O   
443 C CB  . ARG A 60 ? 1.63382 1.86225 2.47511 0.07554  0.04907  0.93241  60 ARG AA CB  
444 C CG  . ARG A 60 ? 1.71922 1.92965 2.52858 0.05752  0.01658  0.93070  60 ARG AA CG  
445 C CD  . ARG A 60 ? 1.82379 2.06644 2.60869 0.02823  -0.02239 0.93796  60 ARG AA CD  
446 N NE  . ARG A 60 ? 1.88252 2.09573 2.58830 0.00365  -0.04896 0.91520  60 ARG AA NE  
447 C CZ  . ARG A 60 ? 1.86541 2.08777 2.51215 -0.02356 -0.07385 0.89948  60 ARG AA CZ  
448 N NH1 . ARG A 60 ? 1.76227 2.02134 2.41491 -0.03191 -0.07825 0.90298  60 ARG AA NH1 
449 N NH2 . ARG A 60 ? 1.84206 2.03931 2.42912 -0.04278 -0.09568 0.88171  60 ARG AA NH2 
450 N N   . ALA A 61 ? 1.65038 1.87838 2.50634 0.11217  0.13010  0.91150  61 ALA AA N   
451 C CA  . ALA A 61 ? 1.63640 1.89658 2.54023 0.12946  0.16123  0.92319  61 ALA AA CA  
452 C C   . ALA A 61 ? 1.68683 1.92248 2.62957 0.16292  0.21145  0.91599  61 ALA AA C   
453 O O   . ALA A 61 ? 1.70480 1.96895 2.73502 0.18868  0.23461  0.93966  61 ALA AA O   
454 C CB  . ALA A 61 ? 1.63672 1.90676 2.46669 0.10682  0.15657  0.90174  61 ALA AA CB  
455 N N   . GLU A 62 ? 1.77670 1.95973 2.67615 0.16741  0.22514  0.88819  62 GLU AA N   
456 C CA  . GLU A 62 ? 1.83227 1.99900 2.77121 0.19971  0.27414  0.86705  62 GLU AA CA  
457 C C   . GLU A 62 ? 1.84201 2.00900 2.87683 0.22813  0.28127  0.88535  62 GLU AA C   
458 O O   . GLU A 62 ? 1.84143 2.00281 2.91635 0.25538  0.31994  0.85528  62 GLU AA O   
459 C CB  . GLU A 62 ? 1.87464 1.98832 2.72592 0.19364  0.29127  0.82132  62 GLU AA CB  
460 C CG  . GLU A 62 ? 1.76456 1.88587 2.53159 0.16658  0.28477  0.80504  62 GLU AA CG  
461 C CD  . GLU A 62 ? 1.73838 1.80727 2.41095 0.15461  0.29242  0.76608  62 GLU AA CD  
462 O OE1 . GLU A 62 ? 1.77883 1.81375 2.41707 0.14332  0.26589  0.76553  62 GLU AA OE1 
463 O OE2 . GLU A 62 ? 1.63439 1.70180 2.26408 0.15469  0.32017  0.72666  62 GLU AA OE2 
464 N N   . ARG A 63 ? 1.74642 1.93291 2.81864 0.21908  0.24391  0.92478  63 ARG AA N   
465 C CA  . ARG A 63 ? 1.62159 1.81574 2.78237 0.23908  0.24198  0.94426  63 ARG AA CA  
466 C C   . ARG A 63 ? 1.71453 1.85281 2.85534 0.25018  0.25738  0.91733  63 ARG AA C   
467 O O   . ARG A 63 ? 1.74577 1.85618 2.81926 0.22656  0.22957  0.90775  63 ARG AA O   
468 C CB  . ARG A 63 ? 1.49288 1.72471 2.76007 0.27365  0.27345  0.95839  63 ARG AA CB  
469 C CG  . ARG A 63 ? 1.32177 1.61613 2.62314 0.26561  0.26025  0.98641  63 ARG AA CG  
470 C CD  . ARG A 63 ? 1.39647 1.70726 2.63315 0.25229  0.27763  0.95406  63 ARG AA CD  
471 N NE  . ARG A 63 ? 1.47528 1.75836 2.68665 0.26786  0.31993  0.90147  63 ARG AA NE  
472 C CZ  . ARG A 63 ? 1.49275 1.79703 2.76685 0.29592  0.35971  0.87724  63 ARG AA CZ  
473 N NH1 . ARG A 63 ? 1.39973 1.75319 2.76574 0.31192  0.36374  0.89966  63 ARG AA NH1 
474 N NH2 . ARG A 63 ? 1.53408 1.80875 2.77903 0.30814  0.39559  0.82936  63 ARG AA NH2 
# 
