data_9DOX
# 
_entry.id   9DOX 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9DOX         pdb_00009dox 10.2210/pdb9dox/pdb 
WWPDB D_1000285811 ?            ?                   
# 
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 2025-04-30 ? 
2 'Structure model' 1 1 2025-05-07 ? 
# 
_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             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               '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' citation        
2 2 'Structure model' citation_author 
# 
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' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
5 2 'Structure model' '_citation.title'                   
6 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DOX 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-20 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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        'Fibril state NMR structure of related peptide MAX1' 
_pdbx_database_related.db_id          2N1E 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 4 
_pdbx_contact_author.email              joel.schneider@nih.gov 
_pdbx_contact_author.name_first         Joel 
_pdbx_contact_author.name_last          Schneider 
_pdbx_contact_author.name_mi            P 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4403-7900 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Samdin, T.D.'    1 0000-0003-3516-9175 
'Lubkowski, J.'   2 0000-0002-8673-6347 
'Anderson, C.F.'  3 0000-0003-0760-1928 
'Schneider, J.P.' 4 0000-0002-4403-7900 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Am.Chem.Soc. 
_citation.journal_id_ASTM           JACSAT 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1520-5126 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            147 
_citation.language                  ? 
_citation.page_first                14377 
_citation.page_last                 14387 
_citation.title                     
;From Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/jacs.5c00671 
_citation.pdbx_database_id_PubMed   40252045 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Samdin, T.D.'    1 ?                   
primary 'Lubkowski, J.'   2 ?                   
primary 'Anderson, C.F.'  3 0000-0003-0760-1928 
primary 'Schneider, J.P.' 4 0000-0002-4403-7900 
# 
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     syn 'L-enantiopure, C-alpha methylated, macrocyclic beta-hairpin' 1453.895 12 ? ? ? ? 
2 non-polymer syn '5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid'          558.835  6  ? ? ? ? 
3 water       nat water                                                         18.015   26 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(ORN)VKVKV(DPR)PTK(A1A8T)KV' 
_entity_poly.pdbx_seq_one_letter_code_can   AVKVKVPPTKXKV 
_entity_poly.pdbx_strand_id                 A,a,B,b,C,c,D,d,E,e,F,f 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid' I3C 
3 water                                                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ORN   n 
1 2  VAL   n 
1 3  LYS   n 
1 4  VAL   n 
1 5  LYS   n 
1 6  VAL   n 
1 7  DPR   n 
1 8  PRO   n 
1 9  THR   n 
1 10 LYS   n 
1 11 A1A8T n 
1 12 LYS   n 
1 13 VAL   n 
# 
_pdbx_entity_src_syn.entity_id              1 
_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       13 
_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 
A1A8T 'L-peptide linking' n 3-methyl-L-isovaline                                 ?                                       
'C6 H13 N O2'    131.173 
DPR   'D-peptide linking' . D-PROLINE                                            ?                                       
'C5 H9 N O2'     115.130 
HOH   non-polymer         . WATER                                                ?                                       'H2 O' 
18.015  
I3C   non-polymer         . '5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid' '5-Amino-2,4,6-triiodoisophthalic acid' 
'C8 H4 I3 N O4'  558.835 
LYS   'L-peptide linking' y LYSINE                                               ?                                       
'C6 H15 N2 O2 1' 147.195 
ORN   'L-peptide linking' n L-ornithine                                          ?                                       
'C5 H12 N2 O2'   132.161 
PRO   'L-peptide linking' y PROLINE                                              ?                                       
'C5 H9 N O2'     115.130 
THR   'L-peptide linking' y THREONINE                                            ?                                       
'C4 H9 N O3'     119.119 
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  ORN   1  13 13 ORN   ORN A . n 
A 1 2  VAL   2  1  1  VAL   VAL A . n 
A 1 3  LYS   3  2  2  LYS   LYS A . n 
A 1 4  VAL   4  3  3  VAL   VAL A . n 
A 1 5  LYS   5  4  4  LYS   LYS A . n 
A 1 6  VAL   6  5  5  VAL   VAL A . n 
A 1 7  DPR   7  6  6  DPR   DPR A . n 
A 1 8  PRO   8  7  7  PRO   PRO A . n 
A 1 9  THR   9  8  8  THR   THR A . n 
A 1 10 LYS   10 9  9  LYS   LYS A . n 
A 1 11 A1A8T 11 10 10 A1A8T LIG A . n 
A 1 12 LYS   12 11 11 LYS   LYS A . n 
A 1 13 VAL   13 12 12 VAL   VAL A . n 
B 1 1  ORN   1  13 13 ORN   ORN a . n 
B 1 2  VAL   2  1  1  VAL   VAL a . n 
B 1 3  LYS   3  2  2  LYS   LYS a . n 
B 1 4  VAL   4  3  3  VAL   VAL a . n 
B 1 5  LYS   5  4  4  LYS   LYS a . n 
B 1 6  VAL   6  5  5  VAL   VAL a . n 
B 1 7  DPR   7  6  6  DPR   DPR a . n 
B 1 8  PRO   8  7  7  PRO   PRO a . n 
B 1 9  THR   9  8  8  THR   THR a . n 
B 1 10 LYS   10 9  9  LYS   LYS a . n 
B 1 11 A1A8T 11 10 10 A1A8T LIG a . n 
B 1 12 LYS   12 11 11 LYS   LYS a . n 
B 1 13 VAL   13 12 12 VAL   VAL a . n 
C 1 1  ORN   1  13 13 ORN   ORN B . n 
C 1 2  VAL   2  1  1  VAL   VAL B . n 
C 1 3  LYS   3  2  2  LYS   LYS B . n 
C 1 4  VAL   4  3  3  VAL   VAL B . n 
C 1 5  LYS   5  4  4  LYS   LYS B . n 
C 1 6  VAL   6  5  5  VAL   VAL B . n 
C 1 7  DPR   7  6  6  DPR   DPR B . n 
C 1 8  PRO   8  7  7  PRO   PRO B . n 
C 1 9  THR   9  8  8  THR   THR B . n 
C 1 10 LYS   10 9  9  LYS   LYS B . n 
C 1 11 A1A8T 11 10 10 A1A8T LIG B . n 
C 1 12 LYS   12 11 11 LYS   LYS B . n 
C 1 13 VAL   13 12 12 VAL   VAL B . n 
D 1 1  ORN   1  13 13 ORN   ORN b . n 
D 1 2  VAL   2  1  1  VAL   VAL b . n 
D 1 3  LYS   3  2  2  LYS   LYS b . n 
D 1 4  VAL   4  3  3  VAL   VAL b . n 
D 1 5  LYS   5  4  4  LYS   LYS b . n 
D 1 6  VAL   6  5  5  VAL   VAL b . n 
D 1 7  DPR   7  6  6  DPR   DPR b . n 
D 1 8  PRO   8  7  7  PRO   PRO b . n 
D 1 9  THR   9  8  8  THR   THR b . n 
D 1 10 LYS   10 9  9  LYS   LYS b . n 
D 1 11 A1A8T 11 10 10 A1A8T LIG b . n 
D 1 12 LYS   12 11 11 LYS   LYS b . n 
D 1 13 VAL   13 12 12 VAL   VAL b . n 
E 1 1  ORN   1  13 13 ORN   ORN C . n 
E 1 2  VAL   2  1  1  VAL   VAL C . n 
E 1 3  LYS   3  2  2  LYS   LYS C . n 
E 1 4  VAL   4  3  3  VAL   VAL C . n 
E 1 5  LYS   5  4  4  LYS   LYS C . n 
E 1 6  VAL   6  5  5  VAL   VAL C . n 
E 1 7  DPR   7  6  6  DPR   DPR C . n 
E 1 8  PRO   8  7  7  PRO   PRO C . n 
E 1 9  THR   9  8  8  THR   THR C . n 
E 1 10 LYS   10 9  9  LYS   LYS C . n 
E 1 11 A1A8T 11 10 10 A1A8T LIG C . n 
E 1 12 LYS   12 11 11 LYS   LYS C . n 
E 1 13 VAL   13 12 12 VAL   VAL C . n 
F 1 1  ORN   1  13 13 ORN   ORN c . n 
F 1 2  VAL   2  1  1  VAL   VAL c . n 
F 1 3  LYS   3  2  2  LYS   LYS c . n 
F 1 4  VAL   4  3  3  VAL   VAL c . n 
F 1 5  LYS   5  4  4  LYS   LYS c . n 
F 1 6  VAL   6  5  5  VAL   VAL c . n 
F 1 7  DPR   7  6  6  DPR   DPR c . n 
F 1 8  PRO   8  7  7  PRO   PRO c . n 
F 1 9  THR   9  8  8  THR   THR c . n 
F 1 10 LYS   10 9  9  LYS   LYS c . n 
F 1 11 A1A8T 11 10 10 A1A8T LIG c . n 
F 1 12 LYS   12 11 11 LYS   LYS c . n 
F 1 13 VAL   13 12 12 VAL   VAL c . n 
G 1 1  ORN   1  13 13 ORN   ORN D . n 
G 1 2  VAL   2  1  1  VAL   VAL D . n 
G 1 3  LYS   3  2  2  LYS   LYS D . n 
G 1 4  VAL   4  3  3  VAL   VAL D . n 
G 1 5  LYS   5  4  4  LYS   LYS D . n 
G 1 6  VAL   6  5  5  VAL   VAL D . n 
G 1 7  DPR   7  6  6  DPR   DPR D . n 
G 1 8  PRO   8  7  7  PRO   PRO D . n 
G 1 9  THR   9  8  8  THR   THR D . n 
G 1 10 LYS   10 9  9  LYS   LYS D . n 
G 1 11 A1A8T 11 10 10 A1A8T LIG D . n 
G 1 12 LYS   12 11 11 LYS   LYS D . n 
G 1 13 VAL   13 12 12 VAL   VAL D . n 
H 1 1  ORN   1  13 13 ORN   ORN d . n 
H 1 2  VAL   2  1  1  VAL   VAL d . n 
H 1 3  LYS   3  2  2  LYS   LYS d . n 
H 1 4  VAL   4  3  3  VAL   VAL d . n 
H 1 5  LYS   5  4  4  LYS   LYS d . n 
H 1 6  VAL   6  5  5  VAL   VAL d . n 
H 1 7  DPR   7  6  6  DPR   DPR d . n 
H 1 8  PRO   8  7  7  PRO   PRO d . n 
H 1 9  THR   9  8  8  THR   THR d . n 
H 1 10 LYS   10 9  9  LYS   LYS d . n 
H 1 11 A1A8T 11 10 10 A1A8T LIG d . n 
H 1 12 LYS   12 11 11 LYS   LYS d . n 
H 1 13 VAL   13 12 12 VAL   VAL d . n 
I 1 1  ORN   1  13 13 ORN   ORN E . n 
I 1 2  VAL   2  1  1  VAL   VAL E . n 
I 1 3  LYS   3  2  2  LYS   LYS E . n 
I 1 4  VAL   4  3  3  VAL   VAL E . n 
I 1 5  LYS   5  4  4  LYS   LYS E . n 
I 1 6  VAL   6  5  5  VAL   VAL E . n 
I 1 7  DPR   7  6  6  DPR   DPR E . n 
I 1 8  PRO   8  7  7  PRO   PRO E . n 
I 1 9  THR   9  8  8  THR   THR E . n 
I 1 10 LYS   10 9  9  LYS   LYS E . n 
I 1 11 A1A8T 11 10 10 A1A8T LIG E . n 
I 1 12 LYS   12 11 11 LYS   LYS E . n 
I 1 13 VAL   13 12 12 VAL   VAL E . n 
J 1 1  ORN   1  13 13 ORN   ORN e . n 
J 1 2  VAL   2  1  1  VAL   VAL e . n 
J 1 3  LYS   3  2  2  LYS   LYS e . n 
J 1 4  VAL   4  3  3  VAL   VAL e . n 
J 1 5  LYS   5  4  4  LYS   LYS e . n 
J 1 6  VAL   6  5  5  VAL   VAL e . n 
J 1 7  DPR   7  6  6  DPR   DPR e . n 
J 1 8  PRO   8  7  7  PRO   PRO e . n 
J 1 9  THR   9  8  8  THR   THR e . n 
J 1 10 LYS   10 9  9  LYS   LYS e . n 
J 1 11 A1A8T 11 10 10 A1A8T LIG e . n 
J 1 12 LYS   12 11 11 LYS   LYS e . n 
J 1 13 VAL   13 12 12 VAL   VAL e . n 
K 1 1  ORN   1  13 13 ORN   ORN F . n 
K 1 2  VAL   2  1  1  VAL   VAL F . n 
K 1 3  LYS   3  2  2  LYS   LYS F . n 
K 1 4  VAL   4  3  3  VAL   VAL F . n 
K 1 5  LYS   5  4  4  LYS   LYS F . n 
K 1 6  VAL   6  5  5  VAL   VAL F . n 
K 1 7  DPR   7  6  6  DPR   DPR F . n 
K 1 8  PRO   8  7  7  PRO   PRO F . n 
K 1 9  THR   9  8  8  THR   THR F . n 
K 1 10 LYS   10 9  9  LYS   LYS F . n 
K 1 11 A1A8T 11 10 10 A1A8T LIG F . n 
K 1 12 LYS   12 11 11 LYS   LYS F . n 
K 1 13 VAL   13 12 12 VAL   VAL F . n 
L 1 1  ORN   1  13 13 ORN   ORN f . n 
L 1 2  VAL   2  1  1  VAL   VAL f . n 
L 1 3  LYS   3  2  2  LYS   LYS f . n 
L 1 4  VAL   4  3  3  VAL   VAL f . n 
L 1 5  LYS   5  4  4  LYS   LYS f . n 
L 1 6  VAL   6  5  5  VAL   VAL f . n 
L 1 7  DPR   7  6  6  DPR   DPR f . n 
L 1 8  PRO   8  7  7  PRO   PRO f . n 
L 1 9  THR   9  8  8  THR   THR f . n 
L 1 10 LYS   10 9  9  LYS   LYS f . n 
L 1 11 A1A8T 11 10 10 A1A8T LIG f . n 
L 1 12 LYS   12 11 11 LYS   LYS f . n 
L 1 13 VAL   13 12 12 VAL   VAL f . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
M  2 I3C 1 101 4  I3C I3C B . 
N  2 I3C 1 101 5  I3C I3C C . 
O  2 I3C 1 101 2  I3C I3C c . 
P  2 I3C 1 101 1  I3C I3C D . 
Q  2 I3C 1 101 3  I3C I3C E . 
R  2 I3C 1 101 6  I3C I3C f . 
S  3 HOH 1 101 5  HOH HOH A . 
S  3 HOH 2 102 19 HOH HOH A . 
T  3 HOH 1 101 15 HOH HOH a . 
T  3 HOH 2 102 4  HOH HOH a . 
U  3 HOH 1 201 9  HOH HOH B . 
U  3 HOH 2 202 28 HOH HOH B . 
U  3 HOH 3 203 3  HOH HOH B . 
V  3 HOH 1 101 22 HOH HOH b . 
W  3 HOH 1 201 25 HOH HOH C . 
W  3 HOH 2 202 8  HOH HOH C . 
W  3 HOH 3 203 23 HOH HOH C . 
W  3 HOH 4 204 21 HOH HOH C . 
X  3 HOH 1 201 6  HOH HOH c . 
X  3 HOH 2 202 29 HOH HOH c . 
X  3 HOH 3 203 2  HOH HOH c . 
Y  3 HOH 1 201 32 HOH HOH D . 
Y  3 HOH 2 202 10 HOH HOH D . 
Y  3 HOH 3 203 20 HOH HOH D . 
Z  3 HOH 1 201 12 HOH HOH E . 
Z  3 HOH 2 202 1  HOH HOH E . 
Z  3 HOH 3 203 31 HOH HOH E . 
AA 3 HOH 1 101 7  HOH HOH e . 
BA 3 HOH 1 101 11 HOH HOH F . 
BA 3 HOH 2 102 17 HOH HOH F . 
CA 3 HOH 1 201 13 HOH HOH f . 
CA 3 HOH 2 202 14 HOH HOH f . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9DOX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.497 
_cell.length_a_esd                 ? 
_cell.length_b                     57.497 
_cell.length_b_esd                 ? 
_cell.length_c                     114.058 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        96 
_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                         9DOX 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 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                   9DOX 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.73 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.97 
_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              ? 
_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    
;0.4-0.6 M sodium potassium phosphate, pH 7.0, 26% v/v PEG400, 2-12 mM I3C (5-amino-2,4,6-triiodoisphthalic acid) as a co-crystallant
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_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         2022-07-29 
_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                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.000 
_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                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9DOX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.25 
_reflns.d_resolution_low                               50.00 
_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                                     9732 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.663 
_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                                0.122 
_reflns.pdbx_Rpim_I_all                                0.035 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       120470 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.977 
_reflns.pdbx_CC_star                                   0.994 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.117 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
2.25 2.29  ? ? ? ? ? ? 480 ? ? ? ? ? ? ? ? ? ? ? 12.3 0.677 ? ? 0.466 0.132 ? 1  1 0.983 0.996 ? 100.0 ? 0.447 ? ? ? ? ? ? ? ? ? 
2.29 2.33  ? ? ? ? ? ? 467 ? ? ? ? ? ? ? ? ? ? ? 12.9 0.746 ? ? 0.464 0.129 ? 2  1 0.973 0.993 ? 100.0 ? 0.445 ? ? ? ? ? ? ? ? ? 
2.33 2.38  ? ? ? ? ? ? 459 ? ? ? ? ? ? ? ? ? ? ? 13.4 0.770 ? ? 0.413 0.112 ? 3  1 0.984 0.996 ? 100.0 ? 0.397 ? ? ? ? ? ? ? ? ? 
2.38 2.42  ? ? ? ? ? ? 483 ? ? ? ? ? ? ? ? ? ? ? 13.1 0.849 ? ? 0.364 0.100 ? 4  1 0.989 0.997 ? 100.0 ? 0.350 ? ? ? ? ? ? ? ? ? 
2.42 2.48  ? ? ? ? ? ? 468 ? ? ? ? ? ? ? ? ? ? ? 13.5 0.818 ? ? 0.373 0.101 ? 5  1 0.985 0.996 ? 100.0 ? 0.359 ? ? ? ? ? ? ? ? ? 
2.48 2.53  ? ? ? ? ? ? 471 ? ? ? ? ? ? ? ? ? ? ? 13.2 0.823 ? ? 0.351 0.095 ? 6  1 0.987 0.997 ? 100.0 ? 0.337 ? ? ? ? ? ? ? ? ? 
2.53 2.60  ? ? ? ? ? ? 477 ? ? ? ? ? ? ? ? ? ? ? 13.2 0.923 ? ? 0.299 0.082 ? 7  1 0.989 0.997 ? 100.0 ? 0.288 ? ? ? ? ? ? ? ? ? 
2.60 2.67  ? ? ? ? ? ? 471 ? ? ? ? ? ? ? ? ? ? ? 12.8 1.027 ? ? 0.261 0.073 ? 8  1 0.991 0.998 ? 100.0 ? 0.250 ? ? ? ? ? ? ? ? ? 
2.67 2.75  ? ? ? ? ? ? 484 ? ? ? ? ? ? ? ? ? ? ? 12.5 1.070 ? ? 0.220 0.062 ? 9  1 0.997 0.999 ? 100.0 ? 0.211 ? ? ? ? ? ? ? ? ? 
2.75 2.83  ? ? ? ? ? ? 471 ? ? ? ? ? ? ? ? ? ? ? 12.0 1.317 ? ? 0.197 0.056 ? 10 1 0.994 0.998 ? 100.0 ? 0.188 ? ? ? ? ? ? ? ? ? 
2.83 2.94  ? ? ? ? ? ? 475 ? ? ? ? ? ? ? ? ? ? ? 11.2 1.399 ? ? 0.158 0.047 ? 11 1 0.994 0.999 ? 99.6  ? 0.151 ? ? ? ? ? ? ? ? ? 
2.94 3.05  ? ? ? ? ? ? 491 ? ? ? ? ? ? ? ? ? ? ? 13.3 1.501 ? ? 0.149 0.042 ? 12 1 0.995 0.999 ? 100.0 ? 0.143 ? ? ? ? ? ? ? ? ? 
3.05 3.19  ? ? ? ? ? ? 490 ? ? ? ? ? ? ? ? ? ? ? 13.1 1.853 ? ? 0.129 0.036 ? 13 1 0.994 0.999 ? 100.0 ? 0.124 ? ? ? ? ? ? ? ? ? 
3.19 3.36  ? ? ? ? ? ? 472 ? ? ? ? ? ? ? ? ? ? ? 13.0 1.996 ? ? 0.118 0.033 ? 14 1 0.998 0.999 ? 100.0 ? 0.113 ? ? ? ? ? ? ? ? ? 
3.36 3.57  ? ? ? ? ? ? 492 ? ? ? ? ? ? ? ? ? ? ? 12.4 2.225 ? ? 0.115 0.033 ? 15 1 0.996 0.999 ? 100.0 ? 0.110 ? ? ? ? ? ? ? ? ? 
3.57 3.85  ? ? ? ? ? ? 490 ? ? ? ? ? ? ? ? ? ? ? 12.0 2.426 ? ? 0.103 0.030 ? 16 1 0.997 0.999 ? 100.0 ? 0.098 ? ? ? ? ? ? ? ? ? 
3.85 4.23  ? ? ? ? ? ? 497 ? ? ? ? ? ? ? ? ? ? ? 10.7 2.872 ? ? 0.097 0.030 ? 17 1 0.997 0.999 ? 100.0 ? 0.092 ? ? ? ? ? ? ? ? ? 
4.23 4.85  ? ? ? ? ? ? 505 ? ? ? ? ? ? ? ? ? ? ? 12.2 2.901 ? ? 0.075 0.022 ? 18 1 0.998 1.000 ? 99.8  ? 0.071 ? ? ? ? ? ? ? ? ? 
4.85 6.10  ? ? ? ? ? ? 519 ? ? ? ? ? ? ? ? ? ? ? 11.8 3.594 ? ? 0.080 0.024 ? 19 1 0.998 1.000 ? 100.0 ? 0.076 ? ? ? ? ? ? ? ? ? 
6.10 50.00 ? ? ? ? ? ? 570 ? ? ? ? ? ? ? ? ? ? ? 9.8  3.923 ? ? 0.079 0.025 ? 20 1 0.998 0.999 ? 99.3  ? 0.075 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.71 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.71 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            1.42 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               32.292 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.933 
_refine.correlation_coeff_Fo_to_Fc_free          0.905 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_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                                 9DOX 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.25 
_refine.ls_d_res_low                             40.69 
_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                     9191 
_refine.ls_number_reflns_R_free                  489 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.57 
_refine.ls_percent_reflns_R_free                 5.1 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.23930 
_refine.ls_R_factor_R_free                       0.28393 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.23699 
_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                    MASK 
_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                          ? 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.319 
_refine.pdbx_overall_ESU_R_Free                  0.247 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                 ? 
_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                             6.136 
_refine.overall_SU_ML                            0.158 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.25 
_refine_hist.d_res_low                        40.69 
_refine_hist.number_atoms_solvent             26 
_refine_hist.number_atoms_total               1334 
_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        1212 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         96 
_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' ? 0.010  0.013  1332 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1524 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.882  2.052  1836 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.582  1.807  3546 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.671  5.000  144  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 13.332 10.000 300  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.070  0.200  240  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1248 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  168  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.567  3.012  624  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.565  3.012  624  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 3.932  5.405  768  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 3.930  5.404  769  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.838  3.515  708  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.758  3.488  702  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.717  6.331  1061 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 8.997  35.89  1407 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 8.866  35.69  1401 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.25 
_refine_ls_shell.d_res_low                        2.302 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             34 
_refine_ls_shell.number_reflns_R_work             641 
_refine_ls_shell.percent_reflns_obs               96.15 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.209 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   ? 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.294 
# 
_struct.entry_id                     9DOX 
_struct.title                        'Fibrillar assembly of an L-enantiopure, C-alpha methylated, macrocyclic beta-hairpin' 
_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        9DOX 
_struct_keywords.text            'MAX1, fibril, hydrogel, C-alpha methylated macrocyclic beta-hairpin, PROTEIN FIBRIL' 
_struct_keywords.pdbx_keywords   'PROTEIN FIBRIL' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A  N N 1 ? 
B  N N 1 ? 
C  N N 1 ? 
D  N N 1 ? 
E  N N 1 ? 
F  N N 1 ? 
G  N N 1 ? 
H  N N 1 ? 
I  N N 1 ? 
J  N N 1 ? 
K  N N 1 ? 
L  N N 1 ? 
M  N N 2 ? 
N  N N 2 ? 
O  N N 2 ? 
P  N N 2 ? 
Q  N N 2 ? 
R  N N 2 ? 
S  N N 3 ? 
T  N N 3 ? 
U  N N 3 ? 
V  N N 3 ? 
W  N N 3 ? 
X  N N 3 ? 
Y  N N 3 ? 
Z  N N 3 ? 
AA N N 3 ? 
BA N N 3 ? 
CA N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9DOX 
_struct_ref.pdbx_db_accession          9DOX 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           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 9DOX A 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
2  1 9DOX a 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
3  1 9DOX B 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
4  1 9DOX b 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
5  1 9DOX C 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
6  1 9DOX c 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
7  1 9DOX D 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
8  1 9DOX d 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
9  1 9DOX E 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
10 1 9DOX e 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
11 1 9DOX F 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
12 1 9DOX f 1 ? 13 ? 9DOX 13 ? 12 ? 13 12 
# 
_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   dodecameric 
_pdbx_struct_assembly.oligomeric_count     12 
# 
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)' 8420 ? 
1 MORE         -70  ? 
1 'SSA (A^2)'  9340 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'electron microscopy' 
_pdbx_struct_assembly_auth_evidence.details                
;TEM experiments of a homologous macrocyclic beta-hairpin peptide without the C-alpha methyl group show evidence of self-assembly and fibrillization, correlating with the deposited X-ray crystallographic structure.
;
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_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 ? A VAL   2  N ? ? ? 1_555 A ORN   1  C  ? ? A VAL   1  A ORN   13 1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale2  covale both ? A VAL   6  C ? ? ? 1_555 A DPR   7  N  ? ? A VAL   5  A DPR   6  1_555 ? ? ? ? ? ? ? 1.346 ? ? 
covale3  covale both ? A DPR   7  C ? ? ? 1_555 A PRO   8  N  ? ? A DPR   6  A PRO   7  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale4  covale one  ? A LYS   10 C ? ? ? 1_555 A A1A8T 11 N  ? ? A LYS   9  A A1A8T 10 1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale5  covale both ? A A1A8T 11 C ? ? ? 1_555 A LYS   12 N  ? ? A A1A8T 10 A LYS   11 1_555 ? ? ? ? ? ? ? 1.336 ? ? 
covale6  covale both ? A VAL   13 C ? ? ? 1_555 A ORN   1  NE ? ? A VAL   12 A ORN   13 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale7  covale both ? B VAL   2  N ? ? ? 1_555 B ORN   1  C  ? ? a VAL   1  a ORN   13 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale8  covale both ? B VAL   6  C ? ? ? 1_555 B DPR   7  N  ? ? a VAL   5  a DPR   6  1_555 ? ? ? ? ? ? ? 1.352 ? ? 
covale9  covale both ? B DPR   7  C ? ? ? 1_555 B PRO   8  N  ? ? a DPR   6  a PRO   7  1_555 ? ? ? ? ? ? ? 1.355 ? ? 
covale10 covale one  ? B LYS   10 C ? ? ? 1_555 B A1A8T 11 N  ? ? a LYS   9  a A1A8T 10 1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale11 covale both ? B A1A8T 11 C ? ? ? 1_555 B LYS   12 N  ? ? a A1A8T 10 a LYS   11 1_555 ? ? ? ? ? ? ? 1.337 ? ? 
covale12 covale both ? B VAL   13 C ? ? ? 1_555 B ORN   1  NE ? ? a VAL   12 a ORN   13 1_555 ? ? ? ? ? ? ? 1.337 ? ? 
covale13 covale both ? C VAL   2  N ? ? ? 1_555 C ORN   1  C  ? ? B VAL   1  B ORN   13 1_555 ? ? ? ? ? ? ? 1.340 ? ? 
covale14 covale both ? C VAL   6  C ? ? ? 1_555 C DPR   7  N  ? ? B VAL   5  B DPR   6  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale15 covale both ? C DPR   7  C ? ? ? 1_555 C PRO   8  N  ? ? B DPR   6  B PRO   7  1_555 ? ? ? ? ? ? ? 1.346 ? ? 
covale16 covale one  ? C LYS   10 C ? ? ? 1_555 C A1A8T 11 N  ? ? B LYS   9  B A1A8T 10 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale17 covale both ? C A1A8T 11 C ? ? ? 1_555 C LYS   12 N  ? ? B A1A8T 10 B LYS   11 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale18 covale both ? C VAL   13 C ? ? ? 1_555 C ORN   1  NE ? ? B VAL   12 B ORN   13 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale19 covale both ? D VAL   2  N ? ? ? 1_555 D ORN   1  C  ? ? b VAL   1  b ORN   13 1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale20 covale both ? D VAL   6  C ? ? ? 1_555 D DPR   7  N  ? ? b VAL   5  b DPR   6  1_555 ? ? ? ? ? ? ? 1.343 ? ? 
covale21 covale both ? D DPR   7  C ? ? ? 1_555 D PRO   8  N  ? ? b DPR   6  b PRO   7  1_555 ? ? ? ? ? ? ? 1.343 ? ? 
covale22 covale one  ? D LYS   10 C ? ? ? 1_555 D A1A8T 11 N  ? ? b LYS   9  b A1A8T 10 1_555 ? ? ? ? ? ? ? 1.344 ? ? 
covale23 covale both ? D A1A8T 11 C ? ? ? 1_555 D LYS   12 N  ? ? b A1A8T 10 b LYS   11 1_555 ? ? ? ? ? ? ? 1.339 ? ? 
covale24 covale both ? D VAL   13 C ? ? ? 1_555 D ORN   1  NE ? ? b VAL   12 b ORN   13 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale25 covale both ? E VAL   2  N ? ? ? 1_555 E ORN   1  C  ? ? C VAL   1  C ORN   13 1_555 ? ? ? ? ? ? ? 1.343 ? ? 
covale26 covale both ? E VAL   6  C ? ? ? 1_555 E DPR   7  N  ? ? C VAL   5  C DPR   6  1_555 ? ? ? ? ? ? ? 1.348 ? ? 
covale27 covale both ? E DPR   7  C ? ? ? 1_555 E PRO   8  N  ? ? C DPR   6  C PRO   7  1_555 ? ? ? ? ? ? ? 1.356 ? ? 
covale28 covale one  ? E LYS   10 C ? ? ? 1_555 E A1A8T 11 N  ? ? C LYS   9  C A1A8T 10 1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale29 covale both ? E A1A8T 11 C ? ? ? 1_555 E LYS   12 N  ? ? C A1A8T 10 C LYS   11 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale30 covale both ? E VAL   13 C ? ? ? 1_555 E ORN   1  NE ? ? C VAL   12 C ORN   13 1_555 ? ? ? ? ? ? ? 1.315 ? ? 
covale31 covale both ? F VAL   2  N ? ? ? 1_555 F ORN   1  C  ? ? c VAL   1  c ORN   13 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale32 covale both ? F VAL   6  C ? ? ? 1_555 F DPR   7  N  ? ? c VAL   5  c DPR   6  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale33 covale both ? F DPR   7  C ? ? ? 1_555 F PRO   8  N  ? ? c DPR   6  c PRO   7  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale34 covale one  ? F LYS   10 C ? ? ? 1_555 F A1A8T 11 N  ? ? c LYS   9  c A1A8T 10 1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale35 covale both ? F A1A8T 11 C ? ? ? 1_555 F LYS   12 N  ? ? c A1A8T 10 c LYS   11 1_555 ? ? ? ? ? ? ? 1.324 ? ? 
covale36 covale both ? F VAL   13 C ? ? ? 1_555 F ORN   1  NE ? ? c VAL   12 c ORN   13 1_555 ? ? ? ? ? ? ? 1.321 ? ? 
covale37 covale both ? G VAL   2  N ? ? ? 1_555 G ORN   1  C  ? ? D VAL   1  D ORN   13 1_555 ? ? ? ? ? ? ? 1.341 ? ? 
covale38 covale both ? G VAL   6  C ? ? ? 1_555 G DPR   7  N  ? ? D VAL   5  D DPR   6  1_555 ? ? ? ? ? ? ? 1.354 ? ? 
covale39 covale both ? G DPR   7  C ? ? ? 1_555 G PRO   8  N  ? ? D DPR   6  D PRO   7  1_555 ? ? ? ? ? ? ? 1.348 ? ? 
covale40 covale one  ? G LYS   10 C ? ? ? 1_555 G A1A8T 11 N  ? ? D LYS   9  D A1A8T 10 1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale41 covale both ? G A1A8T 11 C ? ? ? 1_555 G LYS   12 N  ? ? D A1A8T 10 D LYS   11 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale42 covale both ? G VAL   13 C ? ? ? 1_555 G ORN   1  NE ? ? D VAL   12 D ORN   13 1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale43 covale both ? H VAL   2  N ? ? ? 1_555 H ORN   1  C  ? ? d VAL   1  d ORN   13 1_555 ? ? ? ? ? ? ? 1.335 ? ? 
covale44 covale both ? H VAL   6  C ? ? ? 1_555 H DPR   7  N  ? ? d VAL   5  d DPR   6  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale45 covale both ? H DPR   7  C ? ? ? 1_555 H PRO   8  N  ? ? d DPR   6  d PRO   7  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale46 covale one  ? H LYS   10 C ? ? ? 1_555 H A1A8T 11 N  ? ? d LYS   9  d A1A8T 10 1_555 ? ? ? ? ? ? ? 1.348 ? ? 
covale47 covale both ? H A1A8T 11 C ? ? ? 1_555 H LYS   12 N  ? ? d A1A8T 10 d LYS   11 1_555 ? ? ? ? ? ? ? 1.336 ? ? 
covale48 covale both ? H VAL   13 C ? ? ? 1_555 H ORN   1  NE ? ? d VAL   12 d ORN   13 1_555 ? ? ? ? ? ? ? 1.356 ? ? 
covale49 covale both ? I VAL   2  N ? ? ? 1_555 I ORN   1  C  ? ? E VAL   1  E ORN   13 1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale50 covale both ? I VAL   6  C ? ? ? 1_555 I DPR   7  N  ? ? E VAL   5  E DPR   6  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale51 covale both ? I DPR   7  C ? ? ? 1_555 I PRO   8  N  ? ? E DPR   6  E PRO   7  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale52 covale one  ? I LYS   10 C ? ? ? 1_555 I A1A8T 11 N  ? ? E LYS   9  E A1A8T 10 1_555 ? ? ? ? ? ? ? 1.344 ? ? 
covale53 covale both ? I A1A8T 11 C ? ? ? 1_555 I LYS   12 N  ? ? E A1A8T 10 E LYS   11 1_555 ? ? ? ? ? ? ? 1.338 ? ? 
covale54 covale both ? I VAL   13 C ? ? ? 1_555 I ORN   1  NE ? ? E VAL   12 E ORN   13 1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale55 covale both ? J VAL   2  N ? ? ? 1_555 J ORN   1  C  ? ? e VAL   1  e ORN   13 1_555 ? ? ? ? ? ? ? 1.339 ? ? 
covale56 covale both ? J VAL   6  C ? ? ? 1_555 J DPR   7  N  ? ? e VAL   5  e DPR   6  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale57 covale both ? J DPR   7  C ? ? ? 1_555 J PRO   8  N  ? ? e DPR   6  e PRO   7  1_555 ? ? ? ? ? ? ? 1.349 ? ? 
covale58 covale one  ? J LYS   10 C ? ? ? 1_555 J A1A8T 11 N  ? ? e LYS   9  e A1A8T 10 1_555 ? ? ? ? ? ? ? 1.344 ? ? 
covale59 covale both ? J A1A8T 11 C ? ? ? 1_555 J LYS   12 N  ? ? e A1A8T 10 e LYS   11 1_555 ? ? ? ? ? ? ? 1.339 ? ? 
covale60 covale both ? J VAL   13 C ? ? ? 1_555 J ORN   1  NE ? ? e VAL   12 e ORN   13 1_555 ? ? ? ? ? ? ? 1.315 ? ? 
covale61 covale both ? K VAL   2  N ? ? ? 1_555 K ORN   1  C  ? ? F VAL   1  F ORN   13 1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale62 covale both ? K VAL   6  C ? ? ? 1_555 K DPR   7  N  ? ? F VAL   5  F DPR   6  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale63 covale both ? K DPR   7  C ? ? ? 1_555 K PRO   8  N  ? ? F DPR   6  F PRO   7  1_555 ? ? ? ? ? ? ? 1.357 ? ? 
covale64 covale one  ? K LYS   10 C ? ? ? 1_555 K A1A8T 11 N  ? ? F LYS   9  F A1A8T 10 1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale65 covale both ? K A1A8T 11 C ? ? ? 1_555 K LYS   12 N  ? ? F A1A8T 10 F LYS   11 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale66 covale both ? K VAL   13 C ? ? ? 1_555 K ORN   1  NE ? ? F VAL   12 F ORN   13 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale67 covale both ? L VAL   2  N ? ? ? 1_555 L ORN   1  C  ? ? f VAL   1  f ORN   13 1_555 ? ? ? ? ? ? ? 1.339 ? ? 
covale68 covale both ? L VAL   6  C ? ? ? 1_555 L DPR   7  N  ? ? f VAL   5  f DPR   6  1_555 ? ? ? ? ? ? ? 1.347 ? ? 
covale69 covale both ? L DPR   7  C ? ? ? 1_555 L PRO   8  N  ? ? f DPR   6  f PRO   7  1_555 ? ? ? ? ? ? ? 1.350 ? ? 
covale70 covale one  ? L LYS   10 C ? ? ? 1_555 L A1A8T 11 N  ? ? f LYS   9  f A1A8T 10 1_555 ? ? ? ? ? ? ? 1.334 ? ? 
covale71 covale both ? L A1A8T 11 C ? ? ? 1_555 L LYS   12 N  ? ? f A1A8T 10 f LYS   11 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale72 covale both ? L VAL   13 C ? ? ? 1_555 L ORN   1  NE ? ? f VAL   12 f ORN   13 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
# 
_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  ORN   A 1  ? .   . . . ORN   A 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
2  ORN   B 1  ? .   . . . ORN   a 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
3  ORN   C 1  ? .   . . . ORN   B 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
4  ORN   D 1  ? .   . . . ORN   b 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
5  ORN   E 1  ? .   . . . ORN   C 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
6  ORN   F 1  ? .   . . . ORN   c 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
7  ORN   G 1  ? .   . . . ORN   D 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
8  ORN   H 1  ? .   . . . ORN   d 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
9  ORN   I 1  ? .   . . . ORN   E 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
10 ORN   J 1  ? .   . . . ORN   e 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
11 ORN   K 1  ? .   . . . ORN   F 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
12 ORN   L 1  ? .   . . . ORN   f 13 ? 1_555 .   . .  . .     . .  ?   1 ORN   Ornithine 'Named protein modification' 
13 A1A8T A 11 ? .   . . . A1A8T A 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
14 A1A8T B 11 ? .   . . . A1A8T a 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
15 A1A8T C 11 ? .   . . . A1A8T B 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
16 A1A8T D 11 ? .   . . . A1A8T b 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
17 A1A8T E 11 ? .   . . . A1A8T C 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
18 A1A8T F 11 ? .   . . . A1A8T c 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
19 A1A8T G 11 ? .   . . . A1A8T D 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
20 A1A8T H 11 ? .   . . . A1A8T d 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
21 A1A8T I 11 ? .   . . . A1A8T E 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
22 A1A8T J 11 ? .   . . . A1A8T e 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
23 A1A8T K 11 ? .   . . . A1A8T F 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
24 A1A8T L 11 ? .   . . . A1A8T f 10 ? 1_555 .   . .  . .     . .  VAL 1 A1A8T None      'Non-standard residue'       
25 VAL   A 13 ? ORN A 1 ? VAL   A 12 ? 1_555 ORN A 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
26 VAL   B 13 ? ORN B 1 ? VAL   a 12 ? 1_555 ORN a 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
27 VAL   C 13 ? ORN C 1 ? VAL   B 12 ? 1_555 ORN B 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
28 VAL   D 13 ? ORN D 1 ? VAL   b 12 ? 1_555 ORN b 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
29 VAL   E 13 ? ORN E 1 ? VAL   C 12 ? 1_555 ORN C 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
30 VAL   F 13 ? ORN F 1 ? VAL   c 12 ? 1_555 ORN c 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
31 VAL   G 13 ? ORN G 1 ? VAL   D 12 ? 1_555 ORN D 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
32 VAL   H 13 ? ORN H 1 ? VAL   d 12 ? 1_555 ORN d 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
33 VAL   I 13 ? ORN I 1 ? VAL   E 12 ? 1_555 ORN E 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
34 VAL   J 13 ? ORN J 1 ? VAL   e 12 ? 1_555 ORN e 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
35 VAL   K 13 ? ORN K 1 ? VAL   F 12 ? 1_555 ORN F 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
36 VAL   L 13 ? ORN L 1 ? VAL   f 12 ? 1_555 ORN f 13 ? 1_555 C NE .   . .     None      'Non-standard linkage'       
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
AA3 ? 2 ? 
AA4 ? 2 ? 
AA5 ? 2 ? 
AA6 ? 2 ? 
AA7 ? 2 ? 
AA8 ? 2 ? 
AA9 ? 2 ? 
AB1 ? 2 ? 
AB2 ? 2 ? 
AB3 ? 2 ? 
# 
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 
AA3 1 2 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA7 1 2 ? anti-parallel 
AA8 1 2 ? anti-parallel 
AA9 1 2 ? anti-parallel 
AB1 1 2 ? anti-parallel 
AB2 1 2 ? anti-parallel 
AB3 1 2 ? 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 VAL A 2 ? VAL A 6  ? VAL A 1 VAL A 5  
AA1 2 THR A 9 ? VAL A 13 ? THR A 8 VAL A 12 
AA2 1 VAL B 2 ? VAL B 6  ? VAL a 1 VAL a 5  
AA2 2 THR B 9 ? VAL B 13 ? THR a 8 VAL a 12 
AA3 1 VAL C 2 ? VAL C 6  ? VAL B 1 VAL B 5  
AA3 2 THR C 9 ? VAL C 13 ? THR B 8 VAL B 12 
AA4 1 VAL D 2 ? VAL D 6  ? VAL b 1 VAL b 5  
AA4 2 THR D 9 ? VAL D 13 ? THR b 8 VAL b 12 
AA5 1 VAL E 2 ? VAL E 6  ? VAL C 1 VAL C 5  
AA5 2 THR E 9 ? VAL E 13 ? THR C 8 VAL C 12 
AA6 1 VAL F 2 ? VAL F 6  ? VAL c 1 VAL c 5  
AA6 2 THR F 9 ? VAL F 13 ? THR c 8 VAL c 12 
AA7 1 VAL G 2 ? VAL G 6  ? VAL D 1 VAL D 5  
AA7 2 THR G 9 ? VAL G 13 ? THR D 8 VAL D 12 
AA8 1 VAL H 2 ? VAL H 6  ? VAL d 1 VAL d 5  
AA8 2 THR H 9 ? VAL H 13 ? THR d 8 VAL d 12 
AA9 1 VAL I 2 ? VAL I 6  ? VAL E 1 VAL E 5  
AA9 2 THR I 9 ? VAL I 13 ? THR E 8 VAL E 12 
AB1 1 VAL J 2 ? VAL J 6  ? VAL e 1 VAL e 5  
AB1 2 THR J 9 ? VAL J 13 ? THR e 8 VAL e 12 
AB2 1 VAL K 2 ? VAL K 6  ? VAL F 1 VAL F 5  
AB2 2 THR K 9 ? VAL K 13 ? THR F 8 VAL F 12 
AB3 1 VAL L 2 ? VAL L 6  ? VAL f 1 VAL f 5  
AB3 2 THR L 9 ? VAL L 13 ? THR f 8 VAL f 12 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 4 ? N VAL A 3 O A1A8T A 11 ? O A1A8T A 10 
AA2 1 2 N VAL B 2 ? N VAL a 1 O VAL   B 13 ? O VAL   a 12 
AA3 1 2 N VAL C 2 ? N VAL B 1 O VAL   C 13 ? O VAL   B 12 
AA4 1 2 N VAL D 4 ? N VAL b 3 O A1A8T D 11 ? O A1A8T b 10 
AA5 1 2 N VAL E 2 ? N VAL C 1 O VAL   E 13 ? O VAL   C 12 
AA6 1 2 N VAL F 4 ? N VAL c 3 O A1A8T F 11 ? O A1A8T c 10 
AA7 1 2 N VAL G 4 ? N VAL D 3 O A1A8T G 11 ? O A1A8T D 10 
AA8 1 2 N VAL H 2 ? N VAL d 1 O VAL   H 13 ? O VAL   d 12 
AA9 1 2 N VAL I 2 ? N VAL E 1 O VAL   I 13 ? O VAL   E 12 
AB1 1 2 N VAL J 2 ? N VAL e 1 O VAL   J 13 ? O VAL   e 12 
AB2 1 2 N VAL K 4 ? N VAL F 3 O A1A8T K 11 ? O A1A8T F 10 
AB3 1 2 N VAL L 4 ? N VAL f 3 O A1A8T L 11 ? O A1A8T f 10 
# 
_pdbx_entry_details.entry_id                   9DOX 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 I3 C I3C 101 ? ? O C HOH 204 ? ? 1.51 
2 1 I2 D I3C 101 ? ? O D HOH 203 ? ? 1.94 
3 1 NZ a LYS 4   ? ? O a DPR 6   ? ? 2.19 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    I3 
_pdbx_validate_symm_contact.auth_asym_id_1    c 
_pdbx_validate_symm_contact.auth_comp_id_1    I3C 
_pdbx_validate_symm_contact.auth_seq_id_1     101 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     102 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   5_655 
_pdbx_validate_symm_contact.dist              1.86 
# 
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 
A1A8T N    N N N 1   
A1A8T CA   C N S 2   
A1A8T C    C N N 3   
A1A8T O    O N N 4   
A1A8T CB   C N N 5   
A1A8T CG1  C N N 6   
A1A8T CG2  C N N 7   
A1A8T C1   C N N 8   
A1A8T H    H N N 9   
A1A8T H2   H N N 10  
A1A8T HB   H N N 11  
A1A8T HG11 H N N 12  
A1A8T HG12 H N N 13  
A1A8T HG13 H N N 14  
A1A8T HG21 H N N 15  
A1A8T HG22 H N N 16  
A1A8T HG23 H N N 17  
A1A8T H12  H N N 18  
A1A8T H13  H N N 19  
A1A8T H14  H N N 20  
A1A8T OXT  O N N 21  
A1A8T H1   H N N 22  
DPR   N    N N N 23  
DPR   CA   C N R 24  
DPR   CB   C N N 25  
DPR   CG   C N N 26  
DPR   CD   C N N 27  
DPR   C    C N N 28  
DPR   O    O N N 29  
DPR   OXT  O N N 30  
DPR   H    H N N 31  
DPR   HA   H N N 32  
DPR   HB2  H N N 33  
DPR   HB3  H N N 34  
DPR   HG2  H N N 35  
DPR   HG3  H N N 36  
DPR   HD2  H N N 37  
DPR   HD3  H N N 38  
DPR   HXT  H N N 39  
HOH   O    O N N 40  
HOH   H1   H N N 41  
HOH   H2   H N N 42  
I3C   I3   I N N 43  
I3C   I2   I N N 44  
I3C   I1   I N N 45  
I3C   O8   O N N 46  
I3C   O9   O N N 47  
I3C   C10  C N N 48  
I3C   N13  N N N 49  
I3C   C1   C Y N 50  
I3C   C6   C Y N 51  
I3C   C5   C Y N 52  
I3C   C4   C Y N 53  
I3C   C3   C Y N 54  
I3C   C2   C Y N 55  
I3C   C7   C N N 56  
I3C   O11  O N N 57  
I3C   O12  O N N 58  
I3C   HO9  H N N 59  
I3C   HN13 H N N 60  
I3C   HN1A H N N 61  
I3C   HO11 H N N 62  
LYS   N    N N N 63  
LYS   CA   C N S 64  
LYS   C    C N N 65  
LYS   O    O N N 66  
LYS   CB   C N N 67  
LYS   CG   C N N 68  
LYS   CD   C N N 69  
LYS   CE   C N N 70  
LYS   NZ   N N N 71  
LYS   OXT  O N N 72  
LYS   H    H N N 73  
LYS   H2   H N N 74  
LYS   HA   H N N 75  
LYS   HB2  H N N 76  
LYS   HB3  H N N 77  
LYS   HG2  H N N 78  
LYS   HG3  H N N 79  
LYS   HD2  H N N 80  
LYS   HD3  H N N 81  
LYS   HE2  H N N 82  
LYS   HE3  H N N 83  
LYS   HZ1  H N N 84  
LYS   HZ2  H N N 85  
LYS   HZ3  H N N 86  
LYS   HXT  H N N 87  
ORN   N    N N N 88  
ORN   CA   C N S 89  
ORN   CB   C N N 90  
ORN   CG   C N N 91  
ORN   CD   C N N 92  
ORN   NE   N N N 93  
ORN   C    C N N 94  
ORN   O    O N N 95  
ORN   OXT  O N N 96  
ORN   H    H N N 97  
ORN   H2   H N N 98  
ORN   HA   H N N 99  
ORN   HB2  H N N 100 
ORN   HB3  H N N 101 
ORN   HG2  H N N 102 
ORN   HG3  H N N 103 
ORN   HD2  H N N 104 
ORN   HD3  H N N 105 
ORN   HE1  H N N 106 
ORN   HE2  H N N 107 
ORN   HXT  H N N 108 
PRO   N    N N N 109 
PRO   CA   C N S 110 
PRO   C    C N N 111 
PRO   O    O N N 112 
PRO   CB   C N N 113 
PRO   CG   C N N 114 
PRO   CD   C N N 115 
PRO   OXT  O N N 116 
PRO   H    H N N 117 
PRO   HA   H N N 118 
PRO   HB2  H N N 119 
PRO   HB3  H N N 120 
PRO   HG2  H N N 121 
PRO   HG3  H N N 122 
PRO   HD2  H N N 123 
PRO   HD3  H N N 124 
PRO   HXT  H N N 125 
THR   N    N N N 126 
THR   CA   C N S 127 
THR   C    C N N 128 
THR   O    O N N 129 
THR   CB   C N R 130 
THR   OG1  O N N 131 
THR   CG2  C N N 132 
THR   OXT  O N N 133 
THR   H    H N N 134 
THR   H2   H N N 135 
THR   HA   H N N 136 
THR   HB   H N N 137 
THR   HG1  H N N 138 
THR   HG21 H N N 139 
THR   HG22 H N N 140 
THR   HG23 H N N 141 
THR   HXT  H N N 142 
VAL   N    N N N 143 
VAL   CA   C N S 144 
VAL   C    C N N 145 
VAL   O    O N N 146 
VAL   CB   C N N 147 
VAL   CG1  C N N 148 
VAL   CG2  C N N 149 
VAL   OXT  O N N 150 
VAL   H    H N N 151 
VAL   H2   H N N 152 
VAL   HA   H N N 153 
VAL   HB   H N N 154 
VAL   HG11 H N N 155 
VAL   HG12 H N N 156 
VAL   HG13 H N N 157 
VAL   HG21 H N N 158 
VAL   HG22 H N N 159 
VAL   HG23 H N N 160 
VAL   HXT  H N N 161 
# 
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 
A1A8T C1  CA   sing N N 1   
A1A8T CG2 CB   sing N N 2   
A1A8T CG1 CB   sing N N 3   
A1A8T CB  CA   sing N N 4   
A1A8T CA  C    sing N N 5   
A1A8T CA  N    sing N N 6   
A1A8T C   O    doub N N 7   
A1A8T N   H    sing N N 8   
A1A8T N   H2   sing N N 9   
A1A8T CB  HB   sing N N 10  
A1A8T CG1 HG11 sing N N 11  
A1A8T CG1 HG12 sing N N 12  
A1A8T CG1 HG13 sing N N 13  
A1A8T CG2 HG21 sing N N 14  
A1A8T CG2 HG22 sing N N 15  
A1A8T CG2 HG23 sing N N 16  
A1A8T C1  H12  sing N N 17  
A1A8T C1  H13  sing N N 18  
A1A8T C1  H14  sing N N 19  
A1A8T C   OXT  sing N N 20  
A1A8T OXT H1   sing N N 21  
DPR   N   CA   sing N N 22  
DPR   N   CD   sing N N 23  
DPR   N   H    sing N N 24  
DPR   CA  CB   sing N N 25  
DPR   CA  C    sing N N 26  
DPR   CA  HA   sing N N 27  
DPR   CB  CG   sing N N 28  
DPR   CB  HB2  sing N N 29  
DPR   CB  HB3  sing N N 30  
DPR   CG  CD   sing N N 31  
DPR   CG  HG2  sing N N 32  
DPR   CG  HG3  sing N N 33  
DPR   CD  HD2  sing N N 34  
DPR   CD  HD3  sing N N 35  
DPR   C   O    doub N N 36  
DPR   C   OXT  sing N N 37  
DPR   OXT HXT  sing N N 38  
HOH   O   H1   sing N N 39  
HOH   O   H2   sing N N 40  
I3C   I3  C6   sing N N 41  
I3C   I2  C4   sing N N 42  
I3C   I1  C2   sing N N 43  
I3C   O8  C7   doub N N 44  
I3C   O9  C7   sing N N 45  
I3C   C10 C3   sing N N 46  
I3C   C10 O11  sing N N 47  
I3C   C10 O12  doub N N 48  
I3C   N13 C5   sing N N 49  
I3C   C1  C6   doub Y N 50  
I3C   C1  C2   sing Y N 51  
I3C   C1  C7   sing N N 52  
I3C   C6  C5   sing Y N 53  
I3C   C5  C4   doub Y N 54  
I3C   C4  C3   sing Y N 55  
I3C   C3  C2   doub Y N 56  
I3C   O9  HO9  sing N N 57  
I3C   N13 HN13 sing N N 58  
I3C   N13 HN1A sing N N 59  
I3C   O11 HO11 sing N N 60  
LYS   N   CA   sing N N 61  
LYS   N   H    sing N N 62  
LYS   N   H2   sing N N 63  
LYS   CA  C    sing N N 64  
LYS   CA  CB   sing N N 65  
LYS   CA  HA   sing N N 66  
LYS   C   O    doub N N 67  
LYS   C   OXT  sing N N 68  
LYS   CB  CG   sing N N 69  
LYS   CB  HB2  sing N N 70  
LYS   CB  HB3  sing N N 71  
LYS   CG  CD   sing N N 72  
LYS   CG  HG2  sing N N 73  
LYS   CG  HG3  sing N N 74  
LYS   CD  CE   sing N N 75  
LYS   CD  HD2  sing N N 76  
LYS   CD  HD3  sing N N 77  
LYS   CE  NZ   sing N N 78  
LYS   CE  HE2  sing N N 79  
LYS   CE  HE3  sing N N 80  
LYS   NZ  HZ1  sing N N 81  
LYS   NZ  HZ2  sing N N 82  
LYS   NZ  HZ3  sing N N 83  
LYS   OXT HXT  sing N N 84  
ORN   N   CA   sing N N 85  
ORN   N   H    sing N N 86  
ORN   N   H2   sing N N 87  
ORN   CA  CB   sing N N 88  
ORN   CA  C    sing N N 89  
ORN   CA  HA   sing N N 90  
ORN   CB  CG   sing N N 91  
ORN   CB  HB2  sing N N 92  
ORN   CB  HB3  sing N N 93  
ORN   CG  CD   sing N N 94  
ORN   CG  HG2  sing N N 95  
ORN   CG  HG3  sing N N 96  
ORN   CD  NE   sing N N 97  
ORN   CD  HD2  sing N N 98  
ORN   CD  HD3  sing N N 99  
ORN   NE  HE1  sing N N 100 
ORN   NE  HE2  sing N N 101 
ORN   C   O    doub N N 102 
ORN   C   OXT  sing N N 103 
ORN   OXT HXT  sing N N 104 
PRO   N   CA   sing N N 105 
PRO   N   CD   sing N N 106 
PRO   N   H    sing N N 107 
PRO   CA  C    sing N N 108 
PRO   CA  CB   sing N N 109 
PRO   CA  HA   sing N N 110 
PRO   C   O    doub N N 111 
PRO   C   OXT  sing N N 112 
PRO   CB  CG   sing N N 113 
PRO   CB  HB2  sing N N 114 
PRO   CB  HB3  sing N N 115 
PRO   CG  CD   sing N N 116 
PRO   CG  HG2  sing N N 117 
PRO   CG  HG3  sing N N 118 
PRO   CD  HD2  sing N N 119 
PRO   CD  HD3  sing N N 120 
PRO   OXT HXT  sing N N 121 
THR   N   CA   sing N N 122 
THR   N   H    sing N N 123 
THR   N   H2   sing N N 124 
THR   CA  C    sing N N 125 
THR   CA  CB   sing N N 126 
THR   CA  HA   sing N N 127 
THR   C   O    doub N N 128 
THR   C   OXT  sing N N 129 
THR   CB  OG1  sing N N 130 
THR   CB  CG2  sing N N 131 
THR   CB  HB   sing N N 132 
THR   OG1 HG1  sing N N 133 
THR   CG2 HG21 sing N N 134 
THR   CG2 HG22 sing N N 135 
THR   CG2 HG23 sing N N 136 
THR   OXT HXT  sing N N 137 
VAL   N   CA   sing N N 138 
VAL   N   H    sing N N 139 
VAL   N   H2   sing N N 140 
VAL   CA  C    sing N N 141 
VAL   CA  CB   sing N N 142 
VAL   CA  HA   sing N N 143 
VAL   C   O    doub N N 144 
VAL   C   OXT  sing N N 145 
VAL   CB  CG1  sing N N 146 
VAL   CB  CG2  sing N N 147 
VAL   CB  HB   sing N N 148 
VAL   CG1 HG11 sing N N 149 
VAL   CG1 HG12 sing N N 150 
VAL   CG1 HG13 sing N N 151 
VAL   CG2 HG21 sing N N 152 
VAL   CG2 HG22 sing N N 153 
VAL   CG2 HG23 sing N N 154 
VAL   OXT HXT  sing N N 155 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           1ZIABC011313-14 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    9DOX 
_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]   0.017392 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_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]   0.017392 
_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]   0.008767 
_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 
C 
I 
N 
O 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
HETATM 1    N N   . ORN   A  1 1  ? 50.305 15.844 20.279 1.00 28.16 ? 13  ORN   A N   1 
HETATM 2    C CA  . ORN   A  1 1  ? 50.554 15.161 19.021 1.00 28.26 ? 13  ORN   A CA  1 
HETATM 3    C CB  . ORN   A  1 1  ? 51.927 14.486 19.052 1.00 31.41 ? 13  ORN   A CB  1 
HETATM 4    C CG  . ORN   A  1 1  ? 53.083 15.460 18.894 1.00 32.94 ? 13  ORN   A CG  1 
HETATM 5    C CD  . ORN   A  1 1  ? 53.195 16.013 17.485 1.00 29.85 ? 13  ORN   A CD  1 
HETATM 6    N NE  . ORN   A  1 1  ? 53.450 14.987 16.478 1.00 28.34 ? 13  ORN   A NE  1 
HETATM 7    C C   . ORN   A  1 1  ? 49.470 14.108 18.853 1.00 28.54 ? 13  ORN   A C   1 
HETATM 8    O O   . ORN   A  1 1  ? 48.843 13.709 19.827 1.00 26.95 ? 13  ORN   A O   1 
ATOM   9    N N   . VAL   A  1 2  ? 49.280 13.631 17.625 1.00 25.60 ? 1   VAL   A N   1 
ATOM   10   C CA  . VAL   A  1 2  ? 48.159 12.763 17.336 1.00 23.77 ? 1   VAL   A CA  1 
ATOM   11   C C   . VAL   A  1 2  ? 48.655 11.574 16.524 1.00 24.07 ? 1   VAL   A C   1 
ATOM   12   O O   . VAL   A  1 2  ? 49.604 11.677 15.760 1.00 23.85 ? 1   VAL   A O   1 
ATOM   13   C CB  . VAL   A  1 2  ? 47.076 13.606 16.636 1.00 27.15 ? 1   VAL   A CB  1 
ATOM   14   C CG1 . VAL   A  1 2  ? 47.535 14.142 15.284 1.00 27.17 ? 1   VAL   A CG1 1 
ATOM   15   C CG2 . VAL   A  1 2  ? 45.765 12.853 16.505 1.00 29.37 ? 1   VAL   A CG2 1 
ATOM   16   N N   . LYS   A  1 3  ? 48.054 10.419 16.792 1.00 23.64 ? 2   LYS   A N   1 
ATOM   17   C CA  . LYS   A  1 3  ? 48.226 9.229  15.996 1.00 23.88 ? 2   LYS   A CA  1 
ATOM   18   C C   . LYS   A  1 3  ? 47.627 9.460  14.622 1.00 22.49 ? 2   LYS   A C   1 
ATOM   19   O O   . LYS   A  1 3  ? 46.485 9.891  14.514 1.00 22.76 ? 2   LYS   A O   1 
ATOM   20   C CB  . LYS   A  1 3  ? 47.519 8.086  16.724 1.00 26.05 ? 2   LYS   A CB  1 
ATOM   21   C CG  . LYS   A  1 3  ? 48.213 7.666  18.013 1.00 30.38 ? 2   LYS   A CG  1 
ATOM   22   C CD  . LYS   A  1 3  ? 47.520 6.493  18.695 1.00 32.15 ? 2   LYS   A CD  1 
ATOM   23   C CE  . LYS   A  1 3  ? 48.156 6.132  19.990 1.00 35.02 ? 2   LYS   A CE  1 
ATOM   24   N NZ  . LYS   A  1 3  ? 47.451 4.972  20.546 1.00 39.85 ? 2   LYS   A NZ  1 
ATOM   25   N N   . VAL   A  1 4  ? 48.393 9.176  13.572 1.00 22.42 ? 3   VAL   A N   1 
ATOM   26   C CA  . VAL   A  1 4  ? 47.863 9.340  12.230 1.00 23.15 ? 3   VAL   A CA  1 
ATOM   27   C C   . VAL   A  1 4  ? 48.193 8.090  11.428 1.00 22.70 ? 3   VAL   A C   1 
ATOM   28   O O   . VAL   A  1 4  ? 49.129 7.366  11.741 1.00 23.13 ? 3   VAL   A O   1 
ATOM   29   C CB  . VAL   A  1 4  ? 48.373 10.590 11.497 1.00 27.57 ? 3   VAL   A CB  1 
ATOM   30   C CG1 . VAL   A  1 4  ? 47.883 11.877 12.146 1.00 31.15 ? 3   VAL   A CG1 1 
ATOM   31   C CG2 . VAL   A  1 4  ? 49.886 10.582 11.377 1.00 28.14 ? 3   VAL   A CG2 1 
ATOM   32   N N   . LYS   A  1 5  ? 47.381 7.845  10.407 1.00 22.94 ? 4   LYS   A N   1 
ATOM   33   C CA  . LYS   A  1 5  ? 47.747 6.964  9.314  1.00 25.73 ? 4   LYS   A CA  1 
ATOM   34   C C   . LYS   A  1 5  ? 47.618 7.768  8.028  1.00 24.62 ? 4   LYS   A C   1 
ATOM   35   O O   . LYS   A  1 5  ? 46.564 8.317  7.734  1.00 20.30 ? 4   LYS   A O   1 
ATOM   36   C CB  . LYS   A  1 5  ? 46.832 5.742  9.249  1.00 29.21 ? 4   LYS   A CB  1 
ATOM   37   C CG  . LYS   A  1 5  ? 47.235 4.620  8.316  1.00 29.54 ? 4   LYS   A CG  1 
ATOM   38   C CD  . LYS   A  1 5  ? 45.996 3.760  8.072  1.00 31.59 ? 4   LYS   A CD  1 
ATOM   39   C CE  . LYS   A  1 5  ? 46.249 2.309  7.818  1.00 34.44 ? 4   LYS   A CE  1 
ATOM   40   N NZ  . LYS   A  1 5  ? 47.418 2.115  6.975  1.00 36.68 ? 4   LYS   A NZ  1 
ATOM   41   N N   . VAL   A  1 6  ? 48.734 7.856  7.306  1.00 24.76 ? 5   VAL   A N   1 
ATOM   42   C CA  . VAL   A  1 6  ? 48.792 8.520  6.029  1.00 25.29 ? 5   VAL   A CA  1 
ATOM   43   C C   . VAL   A  1 6  ? 49.235 7.492  4.996  1.00 25.84 ? 5   VAL   A C   1 
ATOM   44   O O   . VAL   A  1 6  ? 50.273 6.856  5.143  1.00 25.91 ? 5   VAL   A O   1 
ATOM   45   C CB  . VAL   A  1 6  ? 49.756 9.712  6.150  1.00 23.47 ? 5   VAL   A CB  1 
ATOM   46   C CG1 . VAL   A  1 6  ? 49.962 10.404 4.801  1.00 24.41 ? 5   VAL   A CG1 1 
ATOM   47   C CG2 . VAL   A  1 6  ? 49.264 10.692 7.202  1.00 22.93 ? 5   VAL   A CG2 1 
HETATM 48   N N   . DPR   A  1 7  ? 48.435 7.231  3.945  1.00 29.97 ? 6   DPR   A N   1 
HETATM 49   C CA  . DPR   A  1 7  ? 48.743 6.126  3.051  1.00 29.14 ? 6   DPR   A CA  1 
HETATM 50   C CB  . DPR   A  1 7  ? 47.660 6.187  1.968  1.00 32.77 ? 6   DPR   A CB  1 
HETATM 51   C CG  . DPR   A  1 7  ? 46.531 6.997  2.594  1.00 35.34 ? 6   DPR   A CG  1 
HETATM 52   C CD  . DPR   A  1 7  ? 47.182 7.920  3.607  1.00 34.40 ? 6   DPR   A CD  1 
HETATM 53   C C   . DPR   A  1 7  ? 48.730 4.849  3.880  1.00 28.73 ? 6   DPR   A C   1 
HETATM 54   O O   . DPR   A  1 7  ? 47.896 4.680  4.768  1.00 31.61 ? 6   DPR   A O   1 
ATOM   55   N N   . PRO   A  1 8  ? 49.693 3.932  3.666  1.00 27.48 ? 7   PRO   A N   1 
ATOM   56   C CA  . PRO   A  1 8  ? 49.773 2.732  4.491  1.00 29.77 ? 7   PRO   A CA  1 
ATOM   57   C C   . PRO   A  1 8  ? 50.502 2.826  5.828  1.00 26.91 ? 7   PRO   A C   1 
ATOM   58   O O   . PRO   A  1 8  ? 50.548 1.839  6.535  1.00 27.99 ? 7   PRO   A O   1 
ATOM   59   C CB  . PRO   A  1 8  ? 50.479 1.765  3.526  1.00 29.51 ? 7   PRO   A CB  1 
ATOM   60   C CG  . PRO   A  1 8  ? 51.403 2.660  2.728  1.00 29.33 ? 7   PRO   A CG  1 
ATOM   61   C CD  . PRO   A  1 8  ? 50.672 3.958  2.568  1.00 27.61 ? 7   PRO   A CD  1 
ATOM   62   N N   . THR   A  1 9  ? 51.001 4.004  6.208  1.00 27.14 ? 8   THR   A N   1 
ATOM   63   C CA  . THR   A  1 9  ? 51.931 4.122  7.329  1.00 24.38 ? 8   THR   A CA  1 
ATOM   64   C C   . THR   A  1 9  ? 51.274 4.831  8.499  1.00 22.32 ? 8   THR   A C   1 
ATOM   65   O O   . THR   A  1 9  ? 50.870 5.993  8.372  1.00 22.20 ? 8   THR   A O   1 
ATOM   66   C CB  . THR   A  1 9  ? 53.167 4.932  6.930  1.00 25.70 ? 8   THR   A CB  1 
ATOM   67   O OG1 . THR   A  1 9  ? 53.714 4.300  5.786  1.00 22.85 ? 8   THR   A OG1 1 
ATOM   68   C CG2 . THR   A  1 9  ? 54.222 4.947  8.020  1.00 25.67 ? 8   THR   A CG2 1 
ATOM   69   N N   . LYS   A  1 10 ? 51.282 4.141  9.643  1.00 22.17 ? 9   LYS   A N   1 
ATOM   70   C CA  . LYS   A  1 10 ? 50.873 4.668  10.930 1.00 22.79 ? 9   LYS   A CA  1 
ATOM   71   C C   . LYS   A  1 10 ? 52.101 5.186  11.661 1.00 22.27 ? 9   LYS   A C   1 
ATOM   72   O O   . LYS   A  1 10 ? 53.177 4.615  11.553 1.00 23.16 ? 9   LYS   A O   1 
ATOM   73   C CB  . LYS   A  1 10 ? 50.202 3.572  11.764 1.00 22.70 ? 9   LYS   A CB  1 
ATOM   74   C CG  . LYS   A  1 10 ? 48.878 3.109  11.211 1.00 21.76 ? 9   LYS   A CG  1 
ATOM   75   C CD  . LYS   A  1 10 ? 48.276 2.026  12.081 1.00 24.93 ? 9   LYS   A CD  1 
ATOM   76   C CE  . LYS   A  1 10 ? 46.951 1.576  11.542 1.00 26.81 ? 9   LYS   A CE  1 
ATOM   77   N NZ  . LYS   A  1 10 ? 46.280 0.799  12.580 1.00 28.29 ? 9   LYS   A NZ  1 
HETATM 78   N N   . A1A8T A  1 11 ? 51.905 6.280  12.397 1.00 23.15 ? 10  A1A8T A N   1 
HETATM 79   C CA  . A1A8T A  1 11 ? 52.974 7.021  13.046 1.00 24.86 ? 10  A1A8T A CA  1 
HETATM 80   C C   . A1A8T A  1 11 ? 52.275 7.988  13.992 1.00 23.88 ? 10  A1A8T A C   1 
HETATM 81   O O   . A1A8T A  1 11 ? 51.058 8.139  13.912 1.00 24.58 ? 10  A1A8T A O   1 
HETATM 82   C CB  . A1A8T A  1 11 ? 53.826 7.725  11.968 1.00 27.72 ? 10  A1A8T A CB  1 
HETATM 83   C CG1 . A1A8T A  1 11 ? 53.047 8.829  11.245 1.00 27.31 ? 10  A1A8T A CG1 1 
HETATM 84   C CG2 . A1A8T A  1 11 ? 55.128 8.283  12.518 1.00 30.50 ? 10  A1A8T A CG2 1 
HETATM 85   C C1  . A1A8T A  1 11 ? 53.872 6.158  13.974 1.00 24.99 ? 10  A1A8T A C1  1 
ATOM   86   N N   . LYS   A  1 12 ? 53.029 8.604  14.907 1.00 23.84 ? 11  LYS   A N   1 
ATOM   87   C CA  . LYS   A  1 12 ? 52.490 9.652  15.748 1.00 24.40 ? 11  LYS   A CA  1 
ATOM   88   C C   . LYS   A  1 12 ? 53.231 10.935 15.401 1.00 23.38 ? 11  LYS   A C   1 
ATOM   89   O O   . LYS   A  1 12 ? 54.452 10.911 15.291 1.00 23.40 ? 11  LYS   A O   1 
ATOM   90   C CB  . LYS   A  1 12 ? 52.570 9.222  17.218 1.00 28.55 ? 11  LYS   A CB  1 
ATOM   91   C CG  . LYS   A  1 12 ? 51.761 10.095 18.161 1.00 30.15 ? 11  LYS   A CG  1 
ATOM   92   C CD  . LYS   A  1 12 ? 51.767 9.660  19.622 1.00 34.77 ? 11  LYS   A CD  1 
ATOM   93   C CE  . LYS   A  1 12 ? 51.092 10.709 20.487 1.00 39.54 ? 11  LYS   A CE  1 
ATOM   94   N NZ  . LYS   A  1 12 ? 51.078 10.437 21.929 1.00 39.16 ? 11  LYS   A NZ  1 
ATOM   95   N N   . VAL   A  1 13 ? 52.472 12.023 15.182 1.00 21.31 ? 12  VAL   A N   1 
ATOM   96   C CA  . VAL   A  1 13 ? 53.010 13.303 14.753 1.00 24.67 ? 12  VAL   A CA  1 
ATOM   97   C C   . VAL   A  1 13 ? 52.520 14.369 15.741 1.00 25.38 ? 12  VAL   A C   1 
ATOM   98   O O   . VAL   A  1 13 ? 51.283 14.566 15.799 1.00 25.62 ? 12  VAL   A O   1 
ATOM   99   C CB  . VAL   A  1 13 ? 52.631 13.702 13.312 1.00 26.57 ? 12  VAL   A CB  1 
ATOM   100  C CG1 . VAL   A  1 13 ? 53.214 15.054 12.924 1.00 29.62 ? 12  VAL   A CG1 1 
ATOM   101  C CG2 . VAL   A  1 13 ? 53.071 12.656 12.309 1.00 27.92 ? 12  VAL   A CG2 1 
HETATM 102  N N   . ORN   B  1 1  ? 51.006 23.335 12.563 1.00 29.20 ? 13  ORN   a N   1 
HETATM 103  C CA  . ORN   B  1 1  ? 50.712 22.067 11.921 1.00 26.65 ? 13  ORN   a CA  1 
HETATM 104  C CB  . ORN   B  1 1  ? 49.296 22.103 11.341 1.00 24.77 ? 13  ORN   a CB  1 
HETATM 105  C CG  . ORN   B  1 1  ? 48.219 21.901 12.399 1.00 24.99 ? 13  ORN   a CG  1 
HETATM 106  C CD  . ORN   B  1 1  ? 48.257 20.497 12.973 1.00 24.37 ? 13  ORN   a CD  1 
HETATM 107  N NE  . ORN   B  1 1  ? 48.080 19.440 11.982 1.00 24.15 ? 13  ORN   a NE  1 
HETATM 108  C C   . ORN   B  1 1  ? 51.779 21.839 10.855 1.00 27.73 ? 13  ORN   a C   1 
HETATM 109  O O   . ORN   B  1 1  ? 52.385 22.788 10.374 1.00 27.59 ? 13  ORN   a O   1 
ATOM   110  N N   . VAL   B  1 2  ? 52.002 20.584 10.477 1.00 26.30 ? 1   VAL   a N   1 
ATOM   111  C CA  . VAL   B  1 2  ? 53.123 20.273 9.609  1.00 27.55 ? 1   VAL   a CA  1 
ATOM   112  C C   . VAL   B  1 2  ? 52.674 19.404 8.435  1.00 28.17 ? 1   VAL   a C   1 
ATOM   113  O O   . VAL   B  1 2  ? 51.735 18.592 8.541  1.00 24.09 ? 1   VAL   a O   1 
ATOM   114  C CB  . VAL   B  1 2  ? 54.196 19.601 10.493 1.00 30.64 ? 1   VAL   a CB  1 
ATOM   115  C CG1 . VAL   B  1 2  ? 53.805 18.193 10.936 1.00 27.92 ? 1   VAL   a CG1 1 
ATOM   116  C CG2 . VAL   B  1 2  ? 55.560 19.591 9.818  1.00 34.32 ? 1   VAL   a CG2 1 
ATOM   117  N N   . LYS   B  1 3  ? 53.384 19.581 7.313  1.00 29.23 ? 2   LYS   a N   1 
ATOM   118  C CA  . LYS   B  1 3  ? 53.192 18.734 6.152  1.00 30.41 ? 2   LYS   a CA  1 
ATOM   119  C C   . LYS   B  1 3  ? 53.707 17.336 6.491  1.00 28.23 ? 2   LYS   a C   1 
ATOM   120  O O   . LYS   B  1 3  ? 54.755 17.207 7.118  1.00 27.15 ? 2   LYS   a O   1 
ATOM   121  C CB  . LYS   B  1 3  ? 53.899 19.373 4.952  1.00 36.32 ? 2   LYS   a CB  1 
ATOM   122  C CG  . LYS   B  1 3  ? 53.253 19.149 3.590  1.00 42.11 ? 2   LYS   a CG  1 
ATOM   123  C CD  . LYS   B  1 3  ? 51.929 19.901 3.394  1.00 44.25 ? 2   LYS   a CD  1 
ATOM   124  C CE  . LYS   B  1 3  ? 51.174 19.541 2.130  1.00 38.70 ? 2   LYS   a CE  1 
ATOM   125  N NZ  . LYS   B  1 3  ? 49.749 19.883 2.189  1.00 34.98 ? 2   LYS   a NZ  1 
ATOM   126  N N   . VAL   B  1 4  ? 52.920 16.308 6.135  1.00 26.14 ? 3   VAL   a N   1 
ATOM   127  C CA  . VAL   B  1 4  ? 53.311 14.914 6.259  1.00 26.12 ? 3   VAL   a CA  1 
ATOM   128  C C   . VAL   B  1 4  ? 53.154 14.240 4.885  1.00 27.68 ? 3   VAL   a C   1 
ATOM   129  O O   . VAL   B  1 4  ? 52.103 14.329 4.256  1.00 27.11 ? 3   VAL   a O   1 
ATOM   130  C CB  . VAL   B  1 4  ? 52.469 14.181 7.319  1.00 25.69 ? 3   VAL   a CB  1 
ATOM   131  C CG1 . VAL   B  1 4  ? 52.891 12.722 7.425  1.00 25.54 ? 3   VAL   a CG1 1 
ATOM   132  C CG2 . VAL   B  1 4  ? 52.523 14.862 8.691  1.00 26.97 ? 3   VAL   a CG2 1 
ATOM   133  N N   . LYS   B  1 5  ? 54.199 13.542 4.433  1.00 25.71 ? 4   LYS   a N   1 
ATOM   134  C CA  . LYS   B  1 5  ? 54.206 12.913 3.126  1.00 25.30 ? 4   LYS   a CA  1 
ATOM   135  C C   . LYS   B  1 5  ? 54.708 11.487 3.275  1.00 25.79 ? 4   LYS   a C   1 
ATOM   136  O O   . LYS   B  1 5  ? 55.740 11.243 3.906  1.00 20.63 ? 4   LYS   a O   1 
ATOM   137  C CB  . LYS   B  1 5  ? 55.067 13.704 2.148  1.00 27.97 ? 4   LYS   a CB  1 
ATOM   138  C CG  . LYS   B  1 5  ? 54.976 13.291 0.688  1.00 29.91 ? 4   LYS   a CG  1 
ATOM   139  C CD  . LYS   B  1 5  ? 55.935 14.108 -0.167 1.00 30.87 ? 4   LYS   a CD  1 
ATOM   140  C CE  . LYS   B  1 5  ? 55.781 13.880 -1.645 1.00 32.56 ? 4   LYS   a CE  1 
ATOM   141  N NZ  . LYS   B  1 5  ? 55.762 12.443 -1.939 1.00 35.45 ? 4   LYS   a NZ  1 
ATOM   142  N N   . VAL   B  1 6  ? 53.900 10.563 2.742  1.00 25.98 ? 5   VAL   a N   1 
ATOM   143  C CA  . VAL   B  1 6  ? 54.206 9.150  2.735  1.00 26.42 ? 5   VAL   a CA  1 
ATOM   144  C C   . VAL   B  1 6  ? 54.116 8.705  1.282  1.00 29.29 ? 5   VAL   a C   1 
ATOM   145  O O   . VAL   B  1 6  ? 53.018 8.683  0.726  1.00 30.00 ? 5   VAL   a O   1 
ATOM   146  C CB  . VAL   B  1 6  ? 53.229 8.348  3.613  1.00 24.57 ? 5   VAL   a CB  1 
ATOM   147  C CG1 . VAL   B  1 6  ? 53.493 6.845  3.500  1.00 23.58 ? 5   VAL   a CG1 1 
ATOM   148  C CG2 . VAL   B  1 6  ? 53.278 8.803  5.068  1.00 24.99 ? 5   VAL   a CG2 1 
HETATM 149  N N   . DPR   B  1 7  ? 55.245 8.376  0.614  1.00 32.85 ? 6   DPR   a N   1 
HETATM 150  C CA  . DPR   B  1 7  ? 55.218 8.073  -0.812 1.00 32.84 ? 6   DPR   a CA  1 
HETATM 151  C CB  . DPR   B  1 7  ? 56.660 7.715  -1.188 1.00 35.16 ? 6   DPR   a CB  1 
HETATM 152  C CG  . DPR   B  1 7  ? 57.502 8.262  -0.047 1.00 35.37 ? 6   DPR   a CG  1 
HETATM 153  C CD  . DPR   B  1 7  ? 56.604 8.287  1.177  1.00 35.98 ? 6   DPR   a CD  1 
HETATM 154  C C   . DPR   B  1 7  ? 54.718 9.308  -1.550 1.00 34.21 ? 6   DPR   a C   1 
HETATM 155  O O   . DPR   B  1 7  ? 55.243 10.400 -1.348 1.00 33.04 ? 6   DPR   a O   1 
ATOM   156  N N   . PRO   B  1 8  ? 53.683 9.176  -2.414 1.00 34.09 ? 7   PRO   a N   1 
ATOM   157  C CA  . PRO   B  1 8  ? 53.128 10.337 -3.113 1.00 34.49 ? 7   PRO   a CA  1 
ATOM   158  C C   . PRO   B  1 8  ? 52.084 11.144 -2.351 1.00 33.25 ? 7   PRO   a C   1 
ATOM   159  O O   . PRO   B  1 8  ? 51.763 12.248 -2.761 1.00 34.56 ? 7   PRO   a O   1 
ATOM   160  C CB  . PRO   B  1 8  ? 52.533 9.674  -4.366 1.00 34.29 ? 7   PRO   a CB  1 
ATOM   161  C CG  . PRO   B  1 8  ? 52.065 8.327  -3.875 1.00 30.87 ? 7   PRO   a CG  1 
ATOM   162  C CD  . PRO   B  1 8  ? 53.110 7.900  -2.874 1.00 31.11 ? 7   PRO   a CD  1 
ATOM   163  N N   . THR   B  1 9  ? 51.574 10.595 -1.248 1.00 33.66 ? 8   THR   a N   1 
ATOM   164  C CA  . THR   B  1 9  ? 50.447 11.166 -0.526 1.00 31.91 ? 8   THR   a CA  1 
ATOM   165  C C   . THR   B  1 9  ? 50.919 12.205 0.492  1.00 29.55 ? 8   THR   a C   1 
ATOM   166  O O   . THR   B  1 9  ? 51.470 11.823 1.524  1.00 26.94 ? 8   THR   a O   1 
ATOM   167  C CB  . THR   B  1 9  ? 49.733 10.040 0.221  1.00 32.38 ? 8   THR   a CB  1 
ATOM   168  O OG1 . THR   B  1 9  ? 49.618 8.961  -0.693 1.00 30.70 ? 8   THR   a OG1 1 
ATOM   169  C CG2 . THR   B  1 9  ? 48.373 10.462 0.740  1.00 30.95 ? 8   THR   a CG2 1 
ATOM   170  N N   . LYS   B  1 10 ? 50.670 13.496 0.220  1.00 29.24 ? 9   LYS   a N   1 
ATOM   171  C CA  . LYS   B  1 10 ? 50.913 14.549 1.194  1.00 30.90 ? 9   LYS   a CA  1 
ATOM   172  C C   . LYS   B  1 10 ? 49.588 15.045 1.775  1.00 29.85 ? 9   LYS   a C   1 
ATOM   173  O O   . LYS   B  1 10 ? 48.556 15.011 1.106  1.00 23.33 ? 9   LYS   a O   1 
ATOM   174  C CB  . LYS   B  1 10 ? 51.781 15.686 0.643  1.00 36.21 ? 9   LYS   a CB  1 
ATOM   175  C CG  . LYS   B  1 10 ? 51.198 16.543 -0.440 1.00 43.71 ? 9   LYS   a CG  1 
ATOM   176  C CD  . LYS   B  1 10 ? 52.103 17.706 -0.817 1.00 47.87 ? 9   LYS   a CD  1 
ATOM   177  C CE  . LYS   B  1 10 ? 53.250 17.273 -1.661 1.00 50.50 ? 9   LYS   a CE  1 
ATOM   178  N NZ  . LYS   B  1 10 ? 52.792 17.100 -3.041 1.00 55.57 ? 9   LYS   a NZ  1 
HETATM 179  N N   . A1A8T B  1 11 ? 49.668 15.512 3.039  1.00 26.85 ? 10  A1A8T a N   1 
HETATM 180  C CA  . A1A8T B  1 11 ? 48.545 15.997 3.830  1.00 24.72 ? 10  A1A8T a CA  1 
HETATM 181  C C   . A1A8T B  1 11 ? 49.164 16.972 4.827  1.00 23.77 ? 10  A1A8T a C   1 
HETATM 182  O O   . A1A8T B  1 11 ? 50.375 17.187 4.781  1.00 22.57 ? 10  A1A8T a O   1 
HETATM 183  C CB  . A1A8T B  1 11 ? 47.776 14.864 4.551  1.00 23.17 ? 10  A1A8T a CB  1 
HETATM 184  C CG1 . A1A8T B  1 11 ? 47.265 13.834 3.562  1.00 25.45 ? 10  A1A8T a CG1 1 
HETATM 185  C CG2 . A1A8T B  1 11 ? 48.601 14.155 5.616  1.00 24.13 ? 10  A1A8T a CG2 1 
HETATM 186  C C1  . A1A8T B  1 11 ? 47.529 16.804 2.983  1.00 21.78 ? 10  A1A8T a C1  1 
ATOM   187  N N   . LYS   B  1 12 ? 48.331 17.525 5.715  1.00 20.55 ? 11  LYS   a N   1 
ATOM   188  C CA  . LYS   B  1 12 ? 48.787 18.428 6.744  1.00 22.72 ? 11  LYS   a CA  1 
ATOM   189  C C   . LYS   B  1 12 ? 48.137 18.024 8.061  1.00 23.71 ? 11  LYS   a C   1 
ATOM   190  O O   . LYS   B  1 12 ? 46.945 17.707 8.118  1.00 26.10 ? 11  LYS   a O   1 
ATOM   191  C CB  . LYS   B  1 12 ? 48.518 19.870 6.303  1.00 24.74 ? 11  LYS   a CB  1 
ATOM   192  C CG  . LYS   B  1 12 ? 49.435 20.877 6.942  1.00 26.69 ? 11  LYS   a CG  1 
ATOM   193  C CD  . LYS   B  1 12 ? 49.473 22.274 6.328  1.00 25.06 ? 11  LYS   a CD  1 
ATOM   194  C CE  . LYS   B  1 12 ? 50.248 23.131 7.270  1.00 27.50 ? 11  LYS   a CE  1 
ATOM   195  N NZ  . LYS   B  1 12 ? 50.211 24.561 6.949  1.00 27.43 ? 11  LYS   a NZ  1 
ATOM   196  N N   . VAL   B  1 13 ? 48.960 17.998 9.103  1.00 22.39 ? 12  VAL   a N   1 
ATOM   197  C CA  . VAL   B  1 13 ? 48.541 17.612 10.439 1.00 23.69 ? 12  VAL   a CA  1 
ATOM   198  C C   . VAL   B  1 13 ? 49.032 18.689 11.419 1.00 23.52 ? 12  VAL   a C   1 
ATOM   199  O O   . VAL   B  1 13 ? 50.282 18.760 11.598 1.00 21.58 ? 12  VAL   a O   1 
ATOM   200  C CB  . VAL   B  1 13 ? 49.108 16.232 10.818 1.00 22.40 ? 12  VAL   a CB  1 
ATOM   201  C CG1 . VAL   B  1 13 ? 48.627 15.761 12.183 1.00 22.91 ? 12  VAL   a CG1 1 
ATOM   202  C CG2 . VAL   B  1 13 ? 48.781 15.184 9.764  1.00 23.19 ? 12  VAL   a CG2 1 
HETATM 203  N N   . ORN   C  1 1  ? 41.416 17.598 19.951 1.00 31.19 ? 13  ORN   B N   1 
HETATM 204  C CA  . ORN   C  1 1  ? 41.180 17.453 18.527 1.00 29.46 ? 13  ORN   B CA  1 
HETATM 205  C CB  . ORN   C  1 1  ? 39.786 18.003 18.202 1.00 29.70 ? 13  ORN   B CB  1 
HETATM 206  C CG  . ORN   C  1 1  ? 38.650 17.057 18.584 1.00 28.17 ? 13  ORN   B CG  1 
HETATM 207  C CD  . ORN   C  1 1  ? 38.627 15.794 17.738 1.00 27.19 ? 13  ORN   B CD  1 
HETATM 208  N NE  . ORN   C  1 1  ? 38.411 16.040 16.303 1.00 27.71 ? 13  ORN   B NE  1 
HETATM 209  C C   . ORN   C  1 1  ? 42.287 18.171 17.761 1.00 28.78 ? 13  ORN   B C   1 
HETATM 210  O O   . ORN   C  1 1  ? 42.873 19.101 18.285 1.00 32.57 ? 13  ORN   B O   1 
ATOM   211  N N   . VAL   C  1 2  ? 42.530 17.786 16.501 1.00 27.97 ? 1   VAL   B N   1 
ATOM   212  C CA  . VAL   C  1 2  ? 43.641 18.349 15.758 1.00 26.29 ? 1   VAL   B CA  1 
ATOM   213  C C   . VAL   C  1 2  ? 43.174 18.896 14.415 1.00 26.02 ? 1   VAL   B C   1 
ATOM   214  O O   . VAL   C  1 2  ? 42.267 18.350 13.766 1.00 23.39 ? 1   VAL   B O   1 
ATOM   215  C CB  . VAL   C  1 2  ? 44.762 17.320 15.562 1.00 27.85 ? 1   VAL   B CB  1 
ATOM   216  C CG1 . VAL   C  1 2  ? 44.347 16.195 14.628 1.00 30.91 ? 1   VAL   B CG1 1 
ATOM   217  C CG2 . VAL   C  1 2  ? 46.041 17.977 15.069 1.00 29.66 ? 1   VAL   B CG2 1 
ATOM   218  N N   . LYS   C  1 3  ? 43.835 19.993 14.032 1.00 24.79 ? 2   LYS   B N   1 
ATOM   219  C CA  . LYS   C  1 3  ? 43.690 20.608 12.733 1.00 25.72 ? 2   LYS   B CA  1 
ATOM   220  C C   . LYS   C  1 3  ? 44.330 19.696 11.703 1.00 25.97 ? 2   LYS   B C   1 
ATOM   221  O O   . LYS   C  1 3  ? 45.471 19.263 11.878 1.00 24.89 ? 2   LYS   B O   1 
ATOM   222  C CB  . LYS   C  1 3  ? 44.393 21.962 12.682 1.00 30.66 ? 2   LYS   B CB  1 
ATOM   223  C CG  . LYS   C  1 3  ? 43.617 23.133 13.256 1.00 35.93 ? 2   LYS   B CG  1 
ATOM   224  C CD  . LYS   C  1 3  ? 44.413 24.424 13.130 1.00 40.20 ? 2   LYS   B CD  1 
ATOM   225  C CE  . LYS   C  1 3  ? 43.683 25.599 13.702 1.00 48.18 ? 2   LYS   B CE  1 
ATOM   226  N NZ  . LYS   C  1 3  ? 44.428 26.840 13.468 1.00 53.39 ? 2   LYS   B NZ  1 
ATOM   227  N N   . VAL   C  1 4  ? 43.577 19.408 10.641 1.00 25.67 ? 3   VAL   B N   1 
ATOM   228  C CA  . VAL   C  1 4  ? 44.048 18.502 9.618  1.00 27.22 ? 3   VAL   B CA  1 
ATOM   229  C C   . VAL   C  1 4  ? 43.624 19.070 8.277  1.00 25.98 ? 3   VAL   B C   1 
ATOM   230  O O   . VAL   C  1 4  ? 42.674 19.861 8.203  1.00 26.77 ? 3   VAL   B O   1 
ATOM   231  C CB  . VAL   C  1 4  ? 43.546 17.061 9.853  1.00 31.50 ? 3   VAL   B CB  1 
ATOM   232  C CG1 . VAL   C  1 4  ? 42.053 16.925 9.579  1.00 33.52 ? 3   VAL   B CG1 1 
ATOM   233  C CG2 . VAL   C  1 4  ? 44.328 16.045 9.034  1.00 33.96 ? 3   VAL   B CG2 1 
ATOM   234  N N   . LYS   C  1 5  ? 44.415 18.739 7.254  1.00 24.75 ? 4   LYS   B N   1 
ATOM   235  C CA  . LYS   C  1 5  ? 44.024 18.953 5.875  1.00 25.65 ? 4   LYS   B CA  1 
ATOM   236  C C   . LYS   C  1 5  ? 44.002 17.599 5.171  1.00 27.83 ? 4   LYS   B C   1 
ATOM   237  O O   . LYS   C  1 5  ? 45.006 16.882 5.147  1.00 25.55 ? 4   LYS   B O   1 
ATOM   238  C CB  . LYS   C  1 5  ? 44.952 19.906 5.123  1.00 29.46 ? 4   LYS   B CB  1 
ATOM   239  C CG  . LYS   C  1 5  ? 44.375 20.344 3.781  1.00 33.74 ? 4   LYS   B CG  1 
ATOM   240  C CD  . LYS   C  1 5  ? 45.360 20.910 2.767  1.00 36.93 ? 4   LYS   B CD  1 
ATOM   241  C CE  . LYS   C  1 5  ? 45.898 22.226 3.209  1.00 41.87 ? 4   LYS   B CE  1 
ATOM   242  N NZ  . LYS   C  1 5  ? 46.511 22.913 2.069  1.00 47.06 ? 4   LYS   B NZ  1 
ATOM   243  N N   . VAL   C  1 6  ? 42.827 17.260 4.631  1.00 29.48 ? 5   VAL   B N   1 
ATOM   244  C CA  . VAL   C  1 6  ? 42.599 16.010 3.932  1.00 30.81 ? 5   VAL   B CA  1 
ATOM   245  C C   . VAL   C  1 6  ? 42.249 16.341 2.494  1.00 29.55 ? 5   VAL   B C   1 
ATOM   246  O O   . VAL   C  1 6  ? 41.228 16.982 2.265  1.00 30.30 ? 5   VAL   B O   1 
ATOM   247  C CB  . VAL   C  1 6  ? 41.453 15.208 4.570  1.00 34.07 ? 5   VAL   B CB  1 
ATOM   248  C CG1 . VAL   C  1 6  ? 41.327 13.836 3.912  1.00 33.57 ? 5   VAL   B CG1 1 
ATOM   249  C CG2 . VAL   C  1 6  ? 41.623 15.090 6.078  1.00 34.17 ? 5   VAL   B CG2 1 
HETATM 250  N N   . DPR   C  1 7  ? 43.047 15.913 1.493  1.00 31.33 ? 6   DPR   B N   1 
HETATM 251  C CA  . DPR   C  1 7  ? 42.895 16.411 0.131  1.00 30.88 ? 6   DPR   B CA  1 
HETATM 252  C CB  . DPR   C  1 7  ? 43.997 15.725 -0.681 1.00 33.82 ? 6   DPR   B CB  1 
HETATM 253  C CG  . DPR   C  1 7  ? 44.982 15.241 0.358  1.00 32.37 ? 6   DPR   B CG  1 
HETATM 254  C CD  . DPR   C  1 7  ? 44.170 14.978 1.610  1.00 36.84 ? 6   DPR   B CD  1 
HETATM 255  C C   . DPR   C  1 7  ? 43.093 17.916 0.195  1.00 30.29 ? 6   DPR   B C   1 
HETATM 256  O O   . DPR   C  1 7  ? 43.987 18.384 0.891  1.00 29.82 ? 6   DPR   B O   1 
ATOM   257  N N   . PRO   C  1 8  ? 42.195 18.697 -0.434 1.00 29.58 ? 7   PRO   B N   1 
ATOM   258  C CA  . PRO   C  1 8  ? 42.228 20.150 -0.328 1.00 29.98 ? 7   PRO   B CA  1 
ATOM   259  C C   . PRO   C  1 8  ? 41.455 20.754 0.841  1.00 28.36 ? 7   PRO   B C   1 
ATOM   260  O O   . PRO   C  1 8  ? 41.341 21.973 0.898  1.00 28.11 ? 7   PRO   B O   1 
ATOM   261  C CB  . PRO   C  1 8  ? 41.558 20.520 -1.658 1.00 27.95 ? 7   PRO   B CB  1 
ATOM   262  C CG  . PRO   C  1 8  ? 40.491 19.474 -1.824 1.00 28.75 ? 7   PRO   B CG  1 
ATOM   263  C CD  . PRO   C  1 8  ? 41.067 18.209 -1.239 1.00 29.32 ? 7   PRO   B CD  1 
ATOM   264  N N   . THR   C  1 9  ? 40.860 19.911 1.697  1.00 28.25 ? 8   THR   B N   1 
ATOM   265  C CA  . THR   C  1 9  ? 39.899 20.398 2.675  1.00 28.56 ? 8   THR   B CA  1 
ATOM   266  C C   . THR   C  1 9  ? 40.534 20.479 4.066  1.00 25.69 ? 8   THR   B C   1 
ATOM   267  O O   . THR   C  1 9  ? 41.019 19.484 4.614  1.00 20.57 ? 8   THR   B O   1 
ATOM   268  C CB  . THR   C  1 9  ? 38.638 19.535 2.708  1.00 28.10 ? 8   THR   B CB  1 
ATOM   269  O OG1 . THR   C  1 9  ? 38.087 19.478 1.398  1.00 27.84 ? 8   THR   B OG1 1 
ATOM   270  C CG2 . THR   C  1 9  ? 37.577 20.147 3.601  1.00 28.67 ? 8   THR   B CG2 1 
ATOM   271  N N   . LYS   C  1 10 ? 40.440 21.676 4.647  1.00 24.35 ? 9   LYS   B N   1 
ATOM   272  C CA  . LYS   C  1 10 ? 40.841 21.916 6.017  1.00 27.01 ? 9   LYS   B CA  1 
ATOM   273  C C   . LYS   C  1 10 ? 39.637 21.675 6.920  1.00 25.89 ? 9   LYS   B C   1 
ATOM   274  O O   . LYS   C  1 10 ? 38.518 21.950 6.519  1.00 25.01 ? 9   LYS   B O   1 
ATOM   275  C CB  . LYS   C  1 10 ? 41.428 23.328 6.149  1.00 30.87 ? 9   LYS   B CB  1 
ATOM   276  C CG  . LYS   C  1 10 ? 42.871 23.388 5.655  1.00 36.37 ? 9   LYS   B CG  1 
ATOM   277  C CD  . LYS   C  1 10 ? 43.643 24.686 5.876  1.00 40.45 ? 9   LYS   B CD  1 
ATOM   278  C CE  . LYS   C  1 10 ? 43.212 25.814 4.991  1.00 46.51 ? 9   LYS   B CE  1 
ATOM   279  N NZ  . LYS   C  1 10 ? 43.569 25.577 3.585  1.00 53.42 ? 9   LYS   B NZ  1 
HETATM 280  N N   . A1A8T C  1 11 ? 39.916 21.123 8.107  1.00 26.75 ? 10  A1A8T B N   1 
HETATM 281  C CA  . A1A8T C  1 11 ? 38.940 20.759 9.120  1.00 29.46 ? 10  A1A8T B CA  1 
HETATM 282  C C   . A1A8T C  1 11 ? 39.685 20.502 10.430 1.00 27.70 ? 10  A1A8T B C   1 
HETATM 283  O O   . A1A8T C  1 11 ? 40.872 20.201 10.413 1.00 27.09 ? 10  A1A8T B O   1 
HETATM 284  C CB  . A1A8T C  1 11 ? 38.162 19.465 8.830  1.00 33.21 ? 10  A1A8T B CB  1 
HETATM 285  C CG1 . A1A8T C  1 11 ? 36.696 19.622 9.206  1.00 34.04 ? 10  A1A8T B CG1 1 
HETATM 286  C CG2 . A1A8T C  1 11 ? 38.334 18.966 7.407  1.00 35.67 ? 10  A1A8T B CG2 1 
HETATM 287  C C1  . A1A8T C  1 11 ? 38.026 21.981 9.268  1.00 30.39 ? 10  A1A8T B C1  1 
ATOM   288  N N   . LYS   C  1 12 ? 38.952 20.529 11.549 1.00 26.15 ? 11  LYS   B N   1 
ATOM   289  C CA  . LYS   C  1 12 ? 39.471 20.105 12.828 1.00 25.27 ? 11  LYS   B CA  1 
ATOM   290  C C   . LYS   C  1 12 ? 38.701 18.859 13.268 1.00 24.16 ? 11  LYS   B C   1 
ATOM   291  O O   . LYS   C  1 12 ? 37.464 18.851 13.338 1.00 21.70 ? 11  LYS   B O   1 
ATOM   292  C CB  . LYS   C  1 12 ? 39.410 21.298 13.784 1.00 27.99 ? 11  LYS   B CB  1 
ATOM   293  C CG  . LYS   C  1 12 ? 40.060 21.076 15.140 1.00 31.75 ? 11  LYS   B CG  1 
ATOM   294  C CD  . LYS   C  1 12 ? 40.189 22.356 15.957 1.00 35.13 ? 11  LYS   B CD  1 
ATOM   295  C CE  . LYS   C  1 12 ? 40.390 22.088 17.404 1.00 39.26 ? 11  LYS   B CE  1 
ATOM   296  N NZ  . LYS   C  1 12 ? 41.682 21.465 17.677 1.00 46.69 ? 11  LYS   B NZ  1 
ATOM   297  N N   . VAL   C  1 13 ? 39.453 17.805 13.576 1.00 21.16 ? 12  VAL   B N   1 
ATOM   298  C CA  . VAL   C  1 13 ? 38.872 16.528 13.952 1.00 24.36 ? 12  VAL   B CA  1 
ATOM   299  C C   . VAL   C  1 13 ? 39.348 16.176 15.372 1.00 24.98 ? 12  VAL   B C   1 
ATOM   300  O O   . VAL   C  1 13 ? 40.590 16.082 15.582 1.00 27.77 ? 12  VAL   B O   1 
ATOM   301  C CB  . VAL   C  1 13 ? 39.224 15.433 12.930 1.00 26.39 ? 12  VAL   B CB  1 
ATOM   302  C CG1 . VAL   C  1 13 ? 38.578 14.097 13.267 1.00 30.96 ? 12  VAL   B CG1 1 
ATOM   303  C CG2 . VAL   C  1 13 ? 38.815 15.838 11.522 1.00 26.85 ? 12  VAL   B CG2 1 
HETATM 304  N N   . ORN   D  1 1  ? 40.693 6.578  16.894 1.00 32.62 ? 13  ORN   b N   1 
HETATM 305  C CA  . ORN   D  1 1  ? 40.989 7.344  15.698 1.00 29.21 ? 13  ORN   b CA  1 
HETATM 306  C CB  . ORN   D  1 1  ? 42.417 7.069  15.221 1.00 28.68 ? 13  ORN   b CB  1 
HETATM 307  C CG  . ORN   D  1 1  ? 43.468 7.640  16.160 1.00 27.28 ? 13  ORN   b CG  1 
HETATM 308  C CD  . ORN   D  1 1  ? 43.397 9.154  16.215 1.00 28.23 ? 13  ORN   b CD  1 
HETATM 309  N NE  . ORN   D  1 1  ? 43.704 9.767  14.924 1.00 29.95 ? 13  ORN   b NE  1 
HETATM 310  C C   . ORN   D  1 1  ? 39.926 7.054  14.647 1.00 30.44 ? 13  ORN   b C   1 
HETATM 311  O O   . ORN   D  1 1  ? 39.325 6.001  14.648 1.00 30.04 ? 13  ORN   b O   1 
ATOM   312  N N   . VAL   D  1 2  ? 39.703 8.019  13.758 1.00 30.32 ? 1   VAL   b N   1 
ATOM   313  C CA  . VAL   D  1 2  ? 38.645 7.931  12.777 1.00 29.90 ? 1   VAL   b CA  1 
ATOM   314  C C   . VAL   D  1 2  ? 39.216 8.240  11.396 1.00 30.27 ? 1   VAL   b C   1 
ATOM   315  O O   . VAL   D  1 2  ? 40.097 9.097  11.246 1.00 29.91 ? 1   VAL   b O   1 
ATOM   316  C CB  . VAL   D  1 2  ? 37.545 8.916  13.209 1.00 30.80 ? 1   VAL   b CB  1 
ATOM   317  C CG1 . VAL   D  1 2  ? 38.028 10.360 13.215 1.00 29.44 ? 1   VAL   b CG1 1 
ATOM   318  C CG2 . VAL   D  1 2  ? 36.289 8.762  12.369 1.00 33.46 ? 1   VAL   b CG2 1 
ATOM   319  N N   . LYS   D  1 3  ? 38.722 7.503  10.400 1.00 27.79 ? 2   LYS   b N   1 
ATOM   320  C CA  . LYS   D  1 3  ? 39.026 7.786  9.013  1.00 31.57 ? 2   LYS   b CA  1 
ATOM   321  C C   . LYS   D  1 3  ? 38.305 9.066  8.606  1.00 29.30 ? 2   LYS   b C   1 
ATOM   322  O O   . LYS   D  1 3  ? 37.114 9.223  8.846  1.00 27.57 ? 2   LYS   b O   1 
ATOM   323  C CB  . LYS   D  1 3  ? 38.542 6.679  8.074  1.00 37.53 ? 2   LYS   b CB  1 
ATOM   324  C CG  . LYS   D  1 3  ? 39.051 5.275  8.364  1.00 46.10 ? 2   LYS   b CG  1 
ATOM   325  C CD  . LYS   D  1 3  ? 38.549 4.273  7.326  1.00 51.63 ? 2   LYS   b CD  1 
ATOM   326  C CE  . LYS   D  1 3  ? 39.092 2.896  7.494  1.00 54.25 ? 2   LYS   b CE  1 
ATOM   327  N NZ  . LYS   D  1 3  ? 38.423 1.985  6.561  1.00 56.47 ? 2   LYS   b NZ  1 
ATOM   328  N N   . VAL   D  1 4  ? 39.050 9.994  8.014  1.00 28.68 ? 3   VAL   b N   1 
ATOM   329  C CA  . VAL   D  1 4  ? 38.468 11.192 7.457  1.00 28.30 ? 3   VAL   b CA  1 
ATOM   330  C C   . VAL   D  1 4  ? 38.693 11.091 5.955  1.00 29.74 ? 3   VAL   b C   1 
ATOM   331  O O   . VAL   D  1 4  ? 39.799 10.778 5.518  1.00 28.99 ? 3   VAL   b O   1 
ATOM   332  C CB  . VAL   D  1 4  ? 39.073 12.473 8.045  1.00 29.65 ? 3   VAL   b CB  1 
ATOM   333  C CG1 . VAL   D  1 4  ? 38.295 13.697 7.578  1.00 30.66 ? 3   VAL   b CG1 1 
ATOM   334  C CG2 . VAL   D  1 4  ? 39.133 12.421 9.571  1.00 30.90 ? 3   VAL   b CG2 1 
ATOM   335  N N   . LYS   D  1 5  ? 37.620 11.302 5.193  1.00 27.68 ? 4   LYS   b N   1 
ATOM   336  C CA  . LYS   D  1 5  ? 37.645 11.118 3.751  1.00 30.76 ? 4   LYS   b CA  1 
ATOM   337  C C   . LYS   D  1 5  ? 37.135 12.382 3.068  1.00 27.45 ? 4   LYS   b C   1 
ATOM   338  O O   . LYS   D  1 5  ? 36.199 12.995 3.556  1.00 25.83 ? 4   LYS   b O   1 
ATOM   339  C CB  . LYS   D  1 5  ? 36.751 9.952  3.329  1.00 33.22 ? 4   LYS   b CB  1 
ATOM   340  C CG  . LYS   D  1 5  ? 37.213 8.539  3.634  1.00 39.61 ? 4   LYS   b CG  1 
ATOM   341  C CD  . LYS   D  1 5  ? 36.383 7.510  2.861  1.00 44.78 ? 4   LYS   b CD  1 
ATOM   342  C CE  . LYS   D  1 5  ? 36.875 6.099  2.973  1.00 51.91 ? 4   LYS   b CE  1 
ATOM   343  N NZ  . LYS   D  1 5  ? 36.736 5.558  4.331  1.00 54.51 ? 4   LYS   b NZ  1 
ATOM   344  N N   . VAL   D  1 6  ? 37.785 12.768 1.964  1.00 28.07 ? 5   VAL   b N   1 
ATOM   345  C CA  . VAL   D  1 6  ? 37.307 13.811 1.070  1.00 28.19 ? 5   VAL   b CA  1 
ATOM   346  C C   . VAL   D  1 6  ? 37.254 13.234 -0.354 1.00 27.95 ? 5   VAL   b C   1 
ATOM   347  O O   . VAL   D  1 6  ? 38.256 13.153 -1.063 1.00 23.15 ? 5   VAL   b O   1 
ATOM   348  C CB  . VAL   D  1 6  ? 38.215 15.050 1.188  1.00 30.04 ? 5   VAL   b CB  1 
ATOM   349  C CG1 . VAL   D  1 6  ? 37.811 16.157 0.228  1.00 29.33 ? 5   VAL   b CG1 1 
ATOM   350  C CG2 . VAL   D  1 6  ? 38.266 15.576 2.625  1.00 30.74 ? 5   VAL   b CG2 1 
HETATM 351  N N   . DPR   D  1 7  ? 36.078 12.779 -0.815 1.00 28.28 ? 6   DPR   b N   1 
HETATM 352  C CA  . DPR   D  1 7  ? 35.996 12.081 -2.094 1.00 29.49 ? 6   DPR   b CA  1 
HETATM 353  C CB  . DPR   D  1 7  ? 34.504 11.818 -2.304 1.00 30.17 ? 6   DPR   b CB  1 
HETATM 354  C CG  . DPR   D  1 7  ? 33.861 12.023 -0.941 1.00 36.11 ? 6   DPR   b CG  1 
HETATM 355  C CD  . DPR   D  1 7  ? 34.786 12.903 -0.127 1.00 31.48 ? 6   DPR   b CD  1 
HETATM 356  C C   . DPR   D  1 7  ? 36.848 10.816 -2.013 1.00 30.01 ? 6   DPR   b C   1 
HETATM 357  O O   . DPR   D  1 7  ? 36.862 10.120 -1.006 1.00 26.22 ? 6   DPR   b O   1 
ATOM   358  N N   . PRO   D  1 8  ? 37.708 10.540 -3.007 1.00 30.29 ? 7   PRO   b N   1 
ATOM   359  C CA  . PRO   D  1 8  ? 38.583 9.373  -2.927 1.00 32.04 ? 7   PRO   b CA  1 
ATOM   360  C C   . PRO   D  1 8  ? 39.869 9.502  -2.115 1.00 32.33 ? 7   PRO   b C   1 
ATOM   361  O O   . PRO   D  1 8  ? 40.714 8.628  -2.208 1.00 34.86 ? 7   PRO   b O   1 
ATOM   362  C CB  . PRO   D  1 8  ? 38.884 9.214  -4.407 1.00 31.76 ? 7   PRO   b CB  1 
ATOM   363  C CG  . PRO   D  1 8  ? 39.092 10.625 -4.849 1.00 34.01 ? 7   PRO   b CG  1 
ATOM   364  C CD  . PRO   D  1 8  ? 37.923 11.346 -4.216 1.00 32.96 ? 7   PRO   b CD  1 
ATOM   365  N N   . THR   D  1 9  ? 40.063 10.596 -1.375 1.00 33.18 ? 8   THR   b N   1 
ATOM   366  C CA  . THR   D  1 9  ? 41.214 10.670 -0.489 1.00 41.42 ? 8   THR   b CA  1 
ATOM   367  C C   . THR   D  1 9  ? 40.799 10.323 0.940  1.00 41.68 ? 8   THR   b C   1 
ATOM   368  O O   . THR   D  1 9  ? 39.793 10.823 1.439  1.00 34.03 ? 8   THR   b O   1 
ATOM   369  C CB  . THR   D  1 9  ? 41.880 12.037 -0.530 1.00 44.44 ? 8   THR   b CB  1 
ATOM   370  O OG1 . THR   D  1 9  ? 41.949 12.372 -1.912 1.00 50.74 ? 8   THR   b OG1 1 
ATOM   371  C CG2 . THR   D  1 9  ? 43.256 11.967 0.107  1.00 46.79 ? 8   THR   b CG2 1 
ATOM   372  N N   . LYS   D  1 10 ? 41.638 9.492  1.572  1.00 46.99 ? 9   LYS   b N   1 
ATOM   373  C CA  . LYS   D  1 10 ? 41.377 8.805  2.826  1.00 47.74 ? 9   LYS   b CA  1 
ATOM   374  C C   . LYS   D  1 10 ? 42.618 8.891  3.702  1.00 54.17 ? 9   LYS   b C   1 
ATOM   375  O O   . LYS   D  1 10 ? 43.706 8.582  3.217  1.00 60.85 ? 9   LYS   b O   1 
ATOM   376  C CB  . LYS   D  1 10 ? 41.219 7.308  2.529  1.00 49.34 ? 9   LYS   b CB  1 
ATOM   377  C CG  . LYS   D  1 10 ? 40.876 6.417  3.705  1.00 54.44 ? 9   LYS   b CG  1 
ATOM   378  C CD  . LYS   D  1 10 ? 41.263 4.951  3.538  1.00 60.15 ? 9   LYS   b CD  1 
ATOM   379  C CE  . LYS   D  1 10 ? 42.668 4.651  3.987  1.00 61.37 ? 9   LYS   b CE  1 
ATOM   380  N NZ  . LYS   D  1 10 ? 42.829 4.694  5.451  1.00 59.69 ? 9   LYS   b NZ  1 
HETATM 381  N N   . A1A8T D  1 11 ? 42.442 9.291  4.973  1.00 54.04 ? 10  A1A8T b N   1 
HETATM 382  C CA  . A1A8T D  1 11 ? 43.475 9.209  6.004  1.00 51.44 ? 10  A1A8T b CA  1 
HETATM 383  C C   . A1A8T D  1 11 ? 42.790 8.963  7.345  1.00 50.41 ? 10  A1A8T b C   1 
HETATM 384  O O   . A1A8T D  1 11 ? 41.566 8.987  7.422  1.00 61.45 ? 10  A1A8T b O   1 
HETATM 385  C CB  . A1A8T D  1 11 ? 44.346 10.475 6.108  1.00 45.71 ? 10  A1A8T b CB  1 
HETATM 386  C CG1 . A1A8T D  1 11 ? 44.900 10.900 4.753  1.00 46.00 ? 10  A1A8T b CG1 1 
HETATM 387  C CG2 . A1A8T D  1 11 ? 43.598 11.626 6.780  1.00 44.76 ? 10  A1A8T b CG2 1 
HETATM 388  C C1  . A1A8T D  1 11 ? 44.346 7.951  5.804  1.00 51.92 ? 10  A1A8T b C1  1 
ATOM   389  N N   . LYS   D  1 12 ? 43.594 8.784  8.401  1.00 36.33 ? 11  LYS   b N   1 
ATOM   390  C CA  . LYS   D  1 12 ? 43.077 8.411  9.703  1.00 31.85 ? 11  LYS   b CA  1 
ATOM   391  C C   . LYS   D  1 12 ? 43.741 9.276  10.769 1.00 28.86 ? 11  LYS   b C   1 
ATOM   392  O O   . LYS   D  1 12 ? 44.968 9.409  10.835 1.00 23.46 ? 11  LYS   b O   1 
ATOM   393  C CB  . LYS   D  1 12 ? 43.291 6.905  9.882  1.00 32.15 ? 11  LYS   b CB  1 
ATOM   394  C CG  . LYS   D  1 12 ? 42.426 6.227  10.914 1.00 34.05 ? 11  LYS   b CG  1 
ATOM   395  C CD  . LYS   D  1 12 ? 42.670 4.728  11.063 1.00 35.82 ? 11  LYS   b CD  1 
ATOM   396  C CE  . LYS   D  1 12 ? 41.881 4.189  12.231 1.00 39.81 ? 11  LYS   b CE  1 
ATOM   397  N NZ  . LYS   D  1 12 ? 42.289 2.845  12.663 1.00 41.72 ? 11  LYS   b NZ  1 
ATOM   398  N N   . VAL   D  1 13 ? 42.913 9.870  11.619 1.00 27.53 ? 12  VAL   b N   1 
ATOM   399  C CA  . VAL   D  1 13 ? 43.444 10.690 12.689 1.00 32.17 ? 12  VAL   b CA  1 
ATOM   400  C C   . VAL   D  1 13 ? 42.839 10.208 14.018 1.00 30.08 ? 12  VAL   b C   1 
ATOM   401  O O   . VAL   D  1 13 ? 41.609 10.208 14.132 1.00 31.62 ? 12  VAL   b O   1 
ATOM   402  C CB  . VAL   D  1 13 ? 43.254 12.194 12.403 1.00 34.04 ? 12  VAL   b CB  1 
ATOM   403  C CG1 . VAL   D  1 13 ? 42.173 12.446 11.373 1.00 38.42 ? 12  VAL   b CG1 1 
ATOM   404  C CG2 . VAL   D  1 13 ? 43.013 13.033 13.649 1.00 33.86 ? 12  VAL   b CG2 1 
HETATM 405  N N   . ORN   E  1 1  ? 31.466 5.407  8.249  1.00 36.83 ? 13  ORN   C N   1 
HETATM 406  C CA  . ORN   E  1 1  ? 31.652 6.846  8.330  1.00 33.69 ? 13  ORN   C CA  1 
HETATM 407  C CB  . ORN   E  1 1  ? 32.957 7.180  7.603  1.00 34.73 ? 13  ORN   C CB  1 
HETATM 408  C CG  . ORN   E  1 1  ? 34.191 6.795  8.396  1.00 33.18 ? 13  ORN   C CG  1 
HETATM 409  C CD  . ORN   E  1 1  ? 34.240 7.507  9.735  1.00 34.41 ? 13  ORN   C CD  1 
HETATM 410  N NE  . ORN   E  1 1  ? 34.429 8.949  9.583  1.00 31.77 ? 13  ORN   C NE  1 
HETATM 411  C C   . ORN   E  1 1  ? 30.451 7.564  7.714  1.00 31.36 ? 13  ORN   C C   1 
HETATM 412  O O   . ORN   E  1 1  ? 29.662 6.937  7.007  1.00 30.14 ? 13  ORN   C O   1 
ATOM   413  N N   . VAL   E  1 2  ? 30.308 8.873  7.977  1.00 29.53 ? 1   VAL   C N   1 
ATOM   414  C CA  . VAL   E  1 2  ? 29.118 9.589  7.531  1.00 27.15 ? 1   VAL   C CA  1 
ATOM   415  C C   . VAL   E  1 2  ? 29.517 10.941 6.941  1.00 26.11 ? 1   VAL   C C   1 
ATOM   416  O O   . VAL   E  1 2  ? 30.415 11.615 7.438  1.00 25.85 ? 1   VAL   C O   1 
ATOM   417  C CB  . VAL   E  1 2  ? 28.095 9.721  8.677  1.00 29.86 ? 1   VAL   C CB  1 
ATOM   418  C CG1 . VAL   E  1 2  ? 28.533 10.728 9.738  1.00 30.22 ? 1   VAL   C CG1 1 
ATOM   419  C CG2 . VAL   E  1 2  ? 26.694 10.062 8.171  1.00 28.97 ? 1   VAL   C CG2 1 
ATOM   420  N N   . LYS   E  1 3  ? 28.893 11.280 5.817  1.00 24.49 ? 2   LYS   C N   1 
ATOM   421  C CA  . LYS   E  1 3  ? 29.007 12.590 5.213  1.00 24.91 ? 2   LYS   C CA  1 
ATOM   422  C C   . LYS   E  1 3  ? 28.374 13.641 6.115  1.00 23.62 ? 2   LYS   C C   1 
ATOM   423  O O   . LYS   E  1 3  ? 27.333 13.417 6.714  1.00 26.07 ? 2   LYS   C O   1 
ATOM   424  C CB  . LYS   E  1 3  ? 28.266 12.580 3.875  1.00 28.10 ? 2   LYS   C CB  1 
ATOM   425  C CG  . LYS   E  1 3  ? 28.869 11.709 2.780  1.00 30.11 ? 2   LYS   C CG  1 
ATOM   426  C CD  . LYS   E  1 3  ? 28.036 11.883 1.522  1.00 35.64 ? 2   LYS   C CD  1 
ATOM   427  C CE  . LYS   E  1 3  ? 28.608 11.248 0.310  1.00 38.85 ? 2   LYS   C CE  1 
ATOM   428  N NZ  . LYS   E  1 3  ? 27.677 11.486 -0.797 1.00 40.13 ? 2   LYS   C NZ  1 
ATOM   429  N N   . VAL   E  1 4  ? 29.007 14.803 6.183  1.00 23.85 ? 3   VAL   C N   1 
ATOM   430  C CA  . VAL   E  1 4  ? 28.536 15.885 7.014  1.00 27.70 ? 3   VAL   C CA  1 
ATOM   431  C C   . VAL   E  1 4  ? 28.908 17.171 6.305  1.00 29.39 ? 3   VAL   C C   1 
ATOM   432  O O   . VAL   E  1 4  ? 29.871 17.183 5.547  1.00 28.53 ? 3   VAL   C O   1 
ATOM   433  C CB  . VAL   E  1 4  ? 29.144 15.815 8.429  1.00 30.70 ? 3   VAL   C CB  1 
ATOM   434  C CG1 . VAL   E  1 4  ? 30.644 16.069 8.444  1.00 31.84 ? 3   VAL   C CG1 1 
ATOM   435  C CG2 . VAL   E  1 4  ? 28.461 16.786 9.380  1.00 37.38 ? 3   VAL   C CG2 1 
ATOM   436  N N   . LYS   E  1 5  ? 28.116 18.217 6.545  1.00 26.54 ? 4   LYS   C N   1 
ATOM   437  C CA  . LYS   E  1 5  ? 28.524 19.577 6.281  1.00 26.66 ? 4   LYS   C CA  1 
ATOM   438  C C   . LYS   E  1 5  ? 28.407 20.375 7.571  1.00 27.99 ? 4   LYS   C C   1 
ATOM   439  O O   . LYS   E  1 5  ? 27.361 20.345 8.218  1.00 27.67 ? 4   LYS   C O   1 
ATOM   440  C CB  . LYS   E  1 5  ? 27.596 20.201 5.244  1.00 32.86 ? 4   LYS   C CB  1 
ATOM   441  C CG  . LYS   E  1 5  ? 28.004 21.576 4.774  1.00 36.25 ? 4   LYS   C CG  1 
ATOM   442  C CD  . LYS   E  1 5  ? 27.004 22.210 3.815  1.00 39.42 ? 4   LYS   C CD  1 
ATOM   443  C CE  . LYS   E  1 5  ? 27.574 23.453 3.201  1.00 42.07 ? 4   LYS   C CE  1 
ATOM   444  N NZ  . LYS   E  1 5  ? 26.666 24.014 2.200  1.00 46.51 ? 4   LYS   C NZ  1 
ATOM   445  N N   . VAL   E  1 6  ? 29.481 21.089 7.918  1.00 29.03 ? 5   VAL   C N   1 
ATOM   446  C CA  . VAL   E  1 6  ? 29.561 21.886 9.138  1.00 31.17 ? 5   VAL   C CA  1 
ATOM   447  C C   . VAL   E  1 6  ? 30.051 23.271 8.739  1.00 32.54 ? 5   VAL   C C   1 
ATOM   448  O O   . VAL   E  1 6  ? 31.139 23.403 8.199  1.00 32.41 ? 5   VAL   C O   1 
ATOM   449  C CB  . VAL   E  1 6  ? 30.513 21.269 10.178 1.00 32.14 ? 5   VAL   C CB  1 
ATOM   450  C CG1 . VAL   E  1 6  ? 30.594 22.092 11.465 1.00 32.44 ? 5   VAL   C CG1 1 
ATOM   451  C CG2 . VAL   E  1 6  ? 30.167 19.818 10.482 1.00 33.60 ? 5   VAL   C CG2 1 
HETATM 452  N N   . DPR   E  1 7  ? 29.283 24.354 8.971  1.00 38.33 ? 6   DPR   C N   1 
HETATM 453  C CA  . DPR   E  1 7  ? 29.657 25.657 8.431  1.00 38.94 ? 6   DPR   C CA  1 
HETATM 454  C CB  . DPR   E  1 7  ? 28.606 26.612 9.013  1.00 42.20 ? 6   DPR   C CB  1 
HETATM 455  C CG  . DPR   E  1 7  ? 27.415 25.716 9.299  1.00 43.69 ? 6   DPR   C CG  1 
HETATM 456  C CD  . DPR   E  1 7  ? 28.007 24.381 9.698  1.00 40.64 ? 6   DPR   C CD  1 
HETATM 457  C C   . DPR   E  1 7  ? 29.616 25.513 6.914  1.00 35.39 ? 6   DPR   C C   1 
HETATM 458  O O   . DPR   E  1 7  ? 28.707 24.877 6.400  1.00 40.18 ? 6   DPR   C O   1 
ATOM   459  N N   . PRO   E  1 8  ? 30.628 26.014 6.163  1.00 40.66 ? 7   PRO   C N   1 
ATOM   460  C CA  . PRO   E  1 8  ? 30.717 25.765 4.717  1.00 40.34 ? 7   PRO   C CA  1 
ATOM   461  C C   . PRO   E  1 8  ? 31.437 24.506 4.221  1.00 40.89 ? 7   PRO   C C   1 
ATOM   462  O O   . PRO   E  1 8  ? 31.531 24.291 3.012  1.00 40.78 ? 7   PRO   C O   1 
ATOM   463  C CB  . PRO   E  1 8  ? 31.479 27.044 4.289  1.00 42.50 ? 7   PRO   C CB  1 
ATOM   464  C CG  . PRO   E  1 8  ? 32.488 27.240 5.404  1.00 41.79 ? 7   PRO   C CG  1 
ATOM   465  C CD  . PRO   E  1 8  ? 31.713 26.885 6.669  1.00 39.10 ? 7   PRO   C CD  1 
ATOM   466  N N   . THR   E  1 9  ? 31.922 23.654 5.133  1.00 36.15 ? 8   THR   C N   1 
ATOM   467  C CA  . THR   E  1 9  ? 32.829 22.579 4.753  1.00 31.87 ? 8   THR   C CA  1 
ATOM   468  C C   . THR   E  1 9  ? 32.118 21.230 4.786  1.00 30.15 ? 8   THR   C C   1 
ATOM   469  O O   . THR   E  1 9  ? 31.600 20.830 5.828  1.00 28.87 ? 8   THR   C O   1 
ATOM   470  C CB  . THR   E  1 9  ? 34.013 22.586 5.714  1.00 31.94 ? 8   THR   C CB  1 
ATOM   471  O OG1 . THR   E  1 9  ? 34.535 23.908 5.628  1.00 36.71 ? 8   THR   C OG1 1 
ATOM   472  C CG2 . THR   E  1 9  ? 35.057 21.539 5.381  1.00 30.24 ? 8   THR   C CG2 1 
ATOM   473  N N   . LYS   E  1 10 ? 32.158 20.529 3.646  1.00 29.12 ? 9   LYS   C N   1 
ATOM   474  C CA  . LYS   E  1 10 ? 31.713 19.151 3.528  1.00 29.32 ? 9   LYS   C CA  1 
ATOM   475  C C   . LYS   E  1 10 ? 32.901 18.214 3.732  1.00 31.40 ? 9   LYS   C C   1 
ATOM   476  O O   . LYS   E  1 10 ? 34.045 18.556 3.433  1.00 35.08 ? 9   LYS   C O   1 
ATOM   477  C CB  . LYS   E  1 10 ? 31.046 18.954 2.163  1.00 31.59 ? 9   LYS   C CB  1 
ATOM   478  C CG  . LYS   E  1 10 ? 29.698 19.677 2.039  1.00 33.73 ? 9   LYS   C CG  1 
ATOM   479  C CD  . LYS   E  1 10 ? 28.874 19.378 0.787  1.00 35.62 ? 9   LYS   C CD  1 
ATOM   480  C CE  . LYS   E  1 10 ? 27.522 20.062 0.865  1.00 39.43 ? 9   LYS   C CE  1 
ATOM   481  N NZ  . LYS   E  1 10 ? 26.490 19.438 0.032  1.00 41.51 ? 9   LYS   C NZ  1 
HETATM 482  N N   . A1A8T E  1 11 ? 32.608 17.021 4.249  1.00 30.35 ? 10  A1A8T C N   1 
HETATM 483  C CA  . A1A8T E  1 11 ? 33.612 16.046 4.618  1.00 28.76 ? 10  A1A8T C CA  1 
HETATM 484  C C   . A1A8T E  1 11 ? 32.881 14.802 5.103  1.00 26.79 ? 10  A1A8T C C   1 
HETATM 485  O O   . A1A8T E  1 11 ? 31.745 14.883 5.563  1.00 27.21 ? 10  A1A8T C O   1 
HETATM 486  C CB  . A1A8T E  1 11 ? 34.523 16.599 5.725  1.00 29.55 ? 10  A1A8T C CB  1 
HETATM 487  C CG1 . A1A8T E  1 11 ? 33.743 16.871 6.997  1.00 28.87 ? 10  A1A8T C CG1 1 
HETATM 488  C CG2 . A1A8T E  1 11 ? 35.699 15.681 6.013  1.00 32.27 ? 10  A1A8T C CG2 1 
HETATM 489  C C1  . A1A8T E  1 11 ? 34.436 15.731 3.361  1.00 31.94 ? 10  A1A8T C C1  1 
ATOM   490  N N   . LYS   E  1 12 ? 33.556 13.659 5.056  1.00 24.11 ? 11  LYS   C N   1 
ATOM   491  C CA  . LYS   E  1 12 ? 33.025 12.434 5.619  1.00 25.23 ? 11  LYS   C CA  1 
ATOM   492  C C   . LYS   E  1 12 ? 33.885 12.003 6.804  1.00 25.50 ? 11  LYS   C C   1 
ATOM   493  O O   . LYS   E  1 12 ? 35.108 11.936 6.695  1.00 26.37 ? 11  LYS   C O   1 
ATOM   494  C CB  . LYS   E  1 12 ? 33.029 11.386 4.506  1.00 27.42 ? 11  LYS   C CB  1 
ATOM   495  C CG  . LYS   E  1 12 ? 32.464 10.033 4.909  1.00 29.05 ? 11  LYS   C CG  1 
ATOM   496  C CD  . LYS   E  1 12 ? 32.174 9.152  3.701  1.00 32.28 ? 11  LYS   C CD  1 
ATOM   497  C CE  . LYS   E  1 12 ? 31.828 7.758  4.086  1.00 36.07 ? 11  LYS   C CE  1 
ATOM   498  N NZ  . LYS   E  1 12 ? 31.804 6.880  2.913  1.00 39.63 ? 11  LYS   C NZ  1 
ATOM   499  N N   . VAL   E  1 13 ? 33.236 11.666 7.919  1.00 30.00 ? 12  VAL   C N   1 
ATOM   500  C CA  . VAL   E  1 13 ? 33.932 11.276 9.133  1.00 30.52 ? 12  VAL   C CA  1 
ATOM   501  C C   . VAL   E  1 13 ? 33.485 9.864  9.569  1.00 29.29 ? 12  VAL   C C   1 
ATOM   502  O O   . VAL   E  1 13 ? 32.289 9.649  9.856  1.00 26.82 ? 12  VAL   C O   1 
ATOM   503  C CB  . VAL   E  1 13 ? 33.773 12.325 10.249 1.00 32.96 ? 12  VAL   C CB  1 
ATOM   504  C CG1 . VAL   E  1 13 ? 34.258 13.686 9.778  1.00 36.33 ? 12  VAL   C CG1 1 
ATOM   505  C CG2 . VAL   E  1 13 ? 32.351 12.430 10.759 1.00 36.96 ? 12  VAL   C CG2 1 
HETATM 506  N N   . ORN   F  1 1  ? 32.129 8.340  18.223 1.00 35.14 ? 13  ORN   c N   1 
HETATM 507  C CA  . ORN   F  1 1  ? 31.781 9.571  17.535 1.00 32.94 ? 13  ORN   c CA  1 
HETATM 508  C CB  . ORN   F  1 1  ? 30.371 9.991  17.958 1.00 31.15 ? 13  ORN   c CB  1 
HETATM 509  C CG  . ORN   F  1 1  ? 29.289 9.131  17.326 1.00 27.00 ? 13  ORN   c CG  1 
HETATM 510  C CD  . ORN   F  1 1  ? 29.218 9.338  15.823 1.00 26.94 ? 13  ORN   c CD  1 
HETATM 511  N NE  . ORN   F  1 1  ? 28.854 10.710 15.449 1.00 26.40 ? 13  ORN   c NE  1 
HETATM 512  C C   . ORN   F  1 1  ? 32.804 10.645 17.874 1.00 31.82 ? 13  ORN   c C   1 
HETATM 513  O O   . ORN   F  1 1  ? 33.394 10.605 18.947 1.00 30.51 ? 13  ORN   c O   1 
ATOM   514  N N   . VAL   F  1 2  ? 32.965 11.637 16.991 1.00 30.62 ? 1   VAL   c N   1 
ATOM   515  C CA  . VAL   F  1 2  ? 34.055 12.592 17.144 1.00 26.68 ? 1   VAL   c CA  1 
ATOM   516  C C   . VAL   F  1 2  ? 33.550 14.014 16.925 1.00 26.22 ? 1   VAL   c C   1 
ATOM   517  O O   . VAL   F  1 2  ? 32.632 14.256 16.139 1.00 25.98 ? 1   VAL   c O   1 
ATOM   518  C CB  . VAL   F  1 2  ? 35.209 12.239 16.189 1.00 28.42 ? 1   VAL   c CB  1 
ATOM   519  C CG1 . VAL   F  1 2  ? 34.812 12.426 14.729 1.00 27.22 ? 1   VAL   c CG1 1 
ATOM   520  C CG2 . VAL   F  1 2  ? 36.493 12.996 16.534 1.00 29.48 ? 1   VAL   c CG2 1 
ATOM   521  N N   . LYS   F  1 3  ? 34.149 14.934 17.675 1.00 25.48 ? 2   LYS   c N   1 
ATOM   522  C CA  . LYS   F  1 3  ? 33.950 16.360 17.490 1.00 30.46 ? 2   LYS   c CA  1 
ATOM   523  C C   . LYS   F  1 3  ? 34.540 16.795 16.147 1.00 26.57 ? 2   LYS   c C   1 
ATOM   524  O O   . LYS   F  1 3  ? 35.666 16.465 15.811 1.00 26.47 ? 2   LYS   c O   1 
ATOM   525  C CB  . LYS   F  1 3  ? 34.598 17.095 18.669 1.00 31.36 ? 2   LYS   c CB  1 
ATOM   526  C CG  . LYS   F  1 3  ? 34.037 18.464 19.003 1.00 40.50 ? 2   LYS   c CG  1 
ATOM   527  C CD  . LYS   F  1 3  ? 32.521 18.444 19.193 1.00 44.04 ? 2   LYS   c CD  1 
ATOM   528  C CE  . LYS   F  1 3  ? 31.994 19.325 20.276 1.00 43.95 ? 2   LYS   c CE  1 
ATOM   529  N NZ  . LYS   F  1 3  ? 30.730 18.778 20.770 1.00 40.94 ? 2   LYS   c NZ  1 
ATOM   530  N N   . VAL   F  1 4  ? 33.733 17.502 15.371 1.00 26.84 ? 3   VAL   c N   1 
ATOM   531  C CA  . VAL   F  1 4  ? 34.167 18.112 14.138 1.00 28.97 ? 3   VAL   c CA  1 
ATOM   532  C C   . VAL   F  1 4  ? 33.934 19.612 14.282 1.00 30.46 ? 3   VAL   c C   1 
ATOM   533  O O   . VAL   F  1 4  ? 32.855 20.049 14.695 1.00 30.84 ? 3   VAL   c O   1 
ATOM   534  C CB  . VAL   F  1 4  ? 33.468 17.544 12.895 1.00 31.51 ? 3   VAL   c CB  1 
ATOM   535  C CG1 . VAL   F  1 4  ? 33.767 16.069 12.704 1.00 32.90 ? 3   VAL   c CG1 1 
ATOM   536  C CG2 . VAL   F  1 4  ? 31.974 17.757 12.938 1.00 36.75 ? 3   VAL   c CG2 1 
ATOM   537  N N   . LYS   F  1 5  ? 34.980 20.386 13.981 1.00 29.57 ? 4   LYS   c N   1 
ATOM   538  C CA  . LYS   F  1 5  ? 34.943 21.831 14.142 1.00 32.68 ? 4   LYS   c CA  1 
ATOM   539  C C   . LYS   F  1 5  ? 35.444 22.481 12.858 1.00 30.15 ? 4   LYS   c C   1 
ATOM   540  O O   . LYS   F  1 5  ? 36.459 22.053 12.321 1.00 26.70 ? 4   LYS   c O   1 
ATOM   541  C CB  . LYS   F  1 5  ? 35.837 22.402 15.250 1.00 31.53 ? 4   LYS   c CB  1 
ATOM   542  C CG  . LYS   F  1 5  ? 35.695 21.819 16.639 1.00 37.18 ? 4   LYS   c CG  1 
ATOM   543  C CD  . LYS   F  1 5  ? 36.218 22.794 17.697 1.00 42.15 ? 4   LYS   c CD  1 
ATOM   544  C CE  . LYS   F  1 5  ? 35.940 22.429 19.131 1.00 43.98 ? 4   LYS   c CE  1 
ATOM   545  N NZ  . LYS   F  1 5  ? 36.191 23.572 20.024 1.00 45.67 ? 4   LYS   c NZ  1 
ATOM   546  N N   . VAL   F  1 6  ? 34.725 23.524 12.422 1.00 29.57 ? 5   VAL   c N   1 
ATOM   547  C CA  . VAL   F  1 6  ? 35.073 24.321 11.263 1.00 29.89 ? 5   VAL   c CA  1 
ATOM   548  C C   . VAL   F  1 6  ? 34.977 25.780 11.686 1.00 33.29 ? 5   VAL   c C   1 
ATOM   549  O O   . VAL   F  1 6  ? 33.892 26.352 11.711 1.00 30.71 ? 5   VAL   c O   1 
ATOM   550  C CB  . VAL   F  1 6  ? 34.159 24.038 10.058 1.00 31.86 ? 5   VAL   c CB  1 
ATOM   551  C CG1 . VAL   F  1 6  ? 34.632 24.801 8.829  1.00 32.63 ? 5   VAL   c CG1 1 
ATOM   552  C CG2 . VAL   F  1 6  ? 34.048 22.548 9.746  1.00 31.19 ? 5   VAL   c CG2 1 
HETATM 553  N N   . DPR   F  1 7  ? 36.104 26.432 12.041 1.00 38.59 ? 6   DPR   c N   1 
HETATM 554  C CA  . DPR   F  1 7  ? 36.045 27.765 12.627 1.00 38.01 ? 6   DPR   c CA  1 
HETATM 555  C CB  . DPR   F  1 7  ? 37.504 28.143 12.934 1.00 38.04 ? 6   DPR   c CB  1 
HETATM 556  C CG  . DPR   F  1 7  ? 38.304 26.863 12.739 1.00 40.06 ? 6   DPR   c CG  1 
HETATM 557  C CD  . DPR   F  1 7  ? 37.488 25.967 11.834 1.00 38.72 ? 6   DPR   c CD  1 
HETATM 558  C C   . DPR   F  1 7  ? 35.195 27.772 13.891 1.00 37.74 ? 6   DPR   c C   1 
HETATM 559  O O   . DPR   F  1 7  ? 35.332 26.900 14.744 1.00 35.74 ? 6   DPR   c O   1 
ATOM   560  N N   . PRO   F  1 8  ? 34.269 28.743 14.027 1.00 36.44 ? 7   PRO   c N   1 
ATOM   561  C CA  . PRO   F  1 8  ? 33.436 28.845 15.224 1.00 38.36 ? 7   PRO   c CA  1 
ATOM   562  C C   . PRO   F  1 8  ? 32.342 27.790 15.386 1.00 36.33 ? 7   PRO   c C   1 
ATOM   563  O O   . PRO   F  1 8  ? 31.682 27.792 16.416 1.00 42.25 ? 7   PRO   c O   1 
ATOM   564  C CB  . PRO   F  1 8  ? 32.836 30.259 15.105 1.00 38.12 ? 7   PRO   c CB  1 
ATOM   565  C CG  . PRO   F  1 8  ? 32.786 30.533 13.625 1.00 40.43 ? 7   PRO   c CG  1 
ATOM   566  C CD  . PRO   F  1 8  ? 33.936 29.748 13.006 1.00 39.90 ? 7   PRO   c CD  1 
ATOM   567  N N   . THR   F  1 9  ? 32.160 26.895 14.401 1.00 34.32 ? 8   THR   c N   1 
ATOM   568  C CA  . THR   F  1 9  ? 31.050 25.954 14.419 1.00 35.41 ? 8   THR   c CA  1 
ATOM   569  C C   . THR   F  1 9  ? 31.560 24.555 14.742 1.00 34.14 ? 8   THR   c C   1 
ATOM   570  O O   . THR   F  1 9  ? 32.401 24.029 14.027 1.00 33.80 ? 8   THR   c O   1 
ATOM   571  C CB  . THR   F  1 9  ? 30.322 25.898 13.077 1.00 38.00 ? 8   THR   c CB  1 
ATOM   572  O OG1 . THR   F  1 9  ? 30.275 27.232 12.586 1.00 37.78 ? 8   THR   c OG1 1 
ATOM   573  C CG2 . THR   F  1 9  ? 28.951 25.252 13.219 1.00 40.48 ? 8   THR   c CG2 1 
ATOM   574  N N   . LYS   F  1 10 ? 30.992 23.941 15.778 1.00 33.76 ? 9   LYS   c N   1 
ATOM   575  C CA  . LYS   F  1 10 ? 31.350 22.585 16.151 1.00 32.96 ? 9   LYS   c CA  1 
ATOM   576  C C   . LYS   F  1 10 ? 30.089 21.730 16.171 1.00 29.77 ? 9   LYS   c C   1 
ATOM   577  O O   . LYS   F  1 10 ? 28.973 22.251 16.125 1.00 28.91 ? 9   LYS   c O   1 
ATOM   578  C CB  . LYS   F  1 10 ? 32.033 22.575 17.518 1.00 35.58 ? 9   LYS   c CB  1 
ATOM   579  C CG  . LYS   F  1 10 ? 31.272 23.250 18.654 1.00 41.70 ? 9   LYS   c CG  1 
ATOM   580  C CD  . LYS   F  1 10 ? 32.041 23.139 19.967 1.00 47.85 ? 9   LYS   c CD  1 
ATOM   581  C CE  . LYS   F  1 10 ? 31.405 23.835 21.128 1.00 47.68 ? 9   LYS   c CE  1 
ATOM   582  N NZ  . LYS   F  1 10 ? 32.205 23.528 22.315 1.00 50.74 ? 9   LYS   c NZ  1 
HETATM 583  N N   . A1A8T F  1 11 ? 30.303 20.418 16.250 1.00 25.12 ? 10  A1A8T c N   1 
HETATM 584  C CA  . A1A8T F  1 11 ? 29.240 19.435 16.394 1.00 26.67 ? 10  A1A8T c CA  1 
HETATM 585  C C   . A1A8T F  1 11 ? 29.955 18.107 16.599 1.00 24.47 ? 10  A1A8T c C   1 
HETATM 586  O O   . A1A8T F  1 11 ? 31.106 17.950 16.197 1.00 25.82 ? 10  A1A8T c O   1 
HETATM 587  C CB  . A1A8T F  1 11 ? 28.305 19.394 15.163 1.00 26.74 ? 10  A1A8T c CB  1 
HETATM 588  C CG1 . A1A8T F  1 11 ? 29.039 19.063 13.875 1.00 27.79 ? 10  A1A8T c CG1 1 
HETATM 589  C CG2 . A1A8T F  1 11 ? 27.138 18.435 15.326 1.00 28.23 ? 10  A1A8T c CG2 1 
HETATM 590  C C1  . A1A8T F  1 11 ? 28.397 19.784 17.647 1.00 23.17 ? 10  A1A8T c C1  1 
ATOM   591  N N   . LYS   F  1 12 ? 29.278 17.138 17.195 1.00 23.28 ? 11  LYS   c N   1 
ATOM   592  C CA  . LYS   F  1 12 ? 29.866 15.829 17.355 1.00 23.12 ? 11  LYS   c CA  1 
ATOM   593  C C   . LYS   F  1 12 ? 29.051 14.826 16.549 1.00 22.59 ? 11  LYS   c C   1 
ATOM   594  O O   . LYS   F  1 12 ? 27.838 14.748 16.664 1.00 21.08 ? 11  LYS   c O   1 
ATOM   595  C CB  . LYS   F  1 12 ? 29.984 15.496 18.840 1.00 24.75 ? 11  LYS   c CB  1 
ATOM   596  C CG  . LYS   F  1 12 ? 30.645 14.152 19.140 1.00 28.10 ? 11  LYS   c CG  1 
ATOM   597  C CD  . LYS   F  1 12 ? 30.767 13.906 20.641 1.00 30.95 ? 11  LYS   c CD  1 
ATOM   598  C CE  . LYS   F  1 12 ? 31.407 12.596 20.914 1.00 35.99 ? 11  LYS   c CE  1 
ATOM   599  N NZ  . LYS   F  1 12 ? 31.828 12.487 22.315 1.00 39.37 ? 11  LYS   c NZ  1 
ATOM   600  N N   . VAL   F  1 13 ? 29.764 14.014 15.781 1.00 25.15 ? 12  VAL   c N   1 
ATOM   601  C CA  . VAL   F  1 13 ? 29.162 13.076 14.858 1.00 28.24 ? 12  VAL   c CA  1 
ATOM   602  C C   . VAL   F  1 13 ? 29.710 11.666 15.134 1.00 25.07 ? 12  VAL   c C   1 
ATOM   603  O O   . VAL   F  1 13 ? 30.940 11.487 15.039 1.00 24.86 ? 12  VAL   c O   1 
ATOM   604  C CB  . VAL   F  1 13 ? 29.491 13.579 13.437 1.00 31.16 ? 12  VAL   c CB  1 
ATOM   605  C CG1 . VAL   F  1 13 ? 29.002 12.628 12.353 1.00 34.00 ? 12  VAL   c CG1 1 
ATOM   606  C CG2 . VAL   F  1 13 ? 28.928 14.980 13.217 1.00 34.64 ? 12  VAL   c CG2 1 
HETATM 607  N N   . ORN   G  1 1  ? 21.443 12.578 2.535  1.00 27.78 ? 13  ORN   D N   1 
HETATM 608  C CA  . ORN   G  1 1  ? 21.720 13.306 3.760  1.00 29.18 ? 13  ORN   D CA  1 
HETATM 609  C CB  . ORN   G  1 1  ? 23.137 13.881 3.704  1.00 29.27 ? 13  ORN   D CB  1 
HETATM 610  C CG  . ORN   G  1 1  ? 24.221 12.818 3.842  1.00 28.98 ? 13  ORN   D CG  1 
HETATM 611  C CD  . ORN   G  1 1  ? 24.297 12.264 5.254  1.00 29.21 ? 13  ORN   D CD  1 
HETATM 612  N NE  . ORN   G  1 1  ? 24.603 13.281 6.267  1.00 28.39 ? 13  ORN   D NE  1 
HETATM 613  C C   . ORN   G  1 1  ? 20.655 14.382 3.967  1.00 31.27 ? 13  ORN   D C   1 
HETATM 614  O O   . ORN   G  1 1  ? 20.030 14.829 3.009  1.00 29.89 ? 13  ORN   D O   1 
ATOM   615  N N   . VAL   G  1 2  ? 20.460 14.799 5.226  1.00 26.75 ? 1   VAL   D N   1 
ATOM   616  C CA  . VAL   G  1 2  ? 19.340 15.655 5.561  1.00 25.30 ? 1   VAL   D CA  1 
ATOM   617  C C   . VAL   G  1 2  ? 19.841 16.789 6.446  1.00 25.25 ? 1   VAL   D C   1 
ATOM   618  O O   . VAL   G  1 2  ? 20.725 16.613 7.279  1.00 27.78 ? 1   VAL   D O   1 
ATOM   619  C CB  . VAL   G  1 2  ? 18.252 14.789 6.225  1.00 27.20 ? 1   VAL   D CB  1 
ATOM   620  C CG1 . VAL   G  1 2  ? 18.649 14.342 7.625  1.00 26.58 ? 1   VAL   D CG1 1 
ATOM   621  C CG2 . VAL   G  1 2  ? 16.898 15.470 6.260  1.00 28.12 ? 1   VAL   D CG2 1 
ATOM   622  N N   . LYS   G  1 3  ? 19.295 17.969 6.193  1.00 25.23 ? 2   LYS   D N   1 
ATOM   623  C CA  . LYS   G  1 3  ? 19.515 19.140 7.009  1.00 24.95 ? 2   LYS   D CA  1 
ATOM   624  C C   . LYS   G  1 3  ? 18.840 18.910 8.345  1.00 23.55 ? 2   LYS   D C   1 
ATOM   625  O O   . LYS   G  1 3  ? 17.693 18.488 8.360  1.00 23.65 ? 2   LYS   D O   1 
ATOM   626  C CB  . LYS   G  1 3  ? 18.868 20.329 6.296  1.00 28.68 ? 2   LYS   D CB  1 
ATOM   627  C CG  . LYS   G  1 3  ? 19.609 20.700 5.024  1.00 33.72 ? 2   LYS   D CG  1 
ATOM   628  C CD  . LYS   G  1 3  ? 19.141 21.980 4.344  1.00 36.50 ? 2   LYS   D CD  1 
ATOM   629  C CE  . LYS   G  1 3  ? 20.125 22.351 3.275  1.00 39.22 ? 2   LYS   D CE  1 
ATOM   630  N NZ  . LYS   G  1 3  ? 19.706 23.541 2.535  1.00 44.40 ? 2   LYS   D NZ  1 
ATOM   631  N N   . VAL   G  1 4  ? 19.568 19.165 9.433  1.00 24.71 ? 3   VAL   D N   1 
ATOM   632  C CA  . VAL   G  1 4  ? 19.041 18.994 10.769 1.00 25.91 ? 3   VAL   D CA  1 
ATOM   633  C C   . VAL   G  1 4  ? 19.410 20.227 11.575 1.00 26.40 ? 3   VAL   D C   1 
ATOM   634  O O   . VAL   G  1 4  ? 20.374 20.915 11.265 1.00 22.38 ? 3   VAL   D O   1 
ATOM   635  C CB  . VAL   G  1 4  ? 19.549 17.720 11.460 1.00 28.63 ? 3   VAL   D CB  1 
ATOM   636  C CG1 . VAL   G  1 4  ? 19.086 16.477 10.726 1.00 34.01 ? 3   VAL   D CG1 1 
ATOM   637  C CG2 . VAL   G  1 4  ? 21.061 17.704 11.604 1.00 30.36 ? 3   VAL   D CG2 1 
ATOM   638  N N   . LYS   G  1 5  ? 18.601 20.498 12.596 1.00 27.22 ? 4   LYS   D N   1 
ATOM   639  C CA  . LYS   G  1 5  ? 18.962 21.429 13.649 1.00 28.61 ? 4   LYS   D CA  1 
ATOM   640  C C   . LYS   G  1 5  ? 18.875 20.643 14.944 1.00 28.54 ? 4   LYS   D C   1 
ATOM   641  O O   . LYS   G  1 5  ? 17.834 20.052 15.260 1.00 23.39 ? 4   LYS   D O   1 
ATOM   642  C CB  . LYS   G  1 5  ? 18.052 22.662 13.724 1.00 32.79 ? 4   LYS   D CB  1 
ATOM   643  C CG  . LYS   G  1 5  ? 18.370 23.648 14.837 1.00 34.21 ? 4   LYS   D CG  1 
ATOM   644  C CD  . LYS   G  1 5  ? 17.540 24.929 14.844 1.00 36.65 ? 4   LYS   D CD  1 
ATOM   645  C CE  . LYS   G  1 5  ? 17.743 25.676 16.145 1.00 39.94 ? 4   LYS   D CE  1 
ATOM   646  N NZ  . LYS   G  1 5  ? 17.074 26.978 16.262 1.00 41.46 ? 4   LYS   D NZ  1 
ATOM   647  N N   . VAL   G  1 6  ? 20.008 20.591 15.638 1.00 28.65 ? 5   VAL   D N   1 
ATOM   648  C CA  . VAL   G  1 6  ? 20.093 19.902 16.907 1.00 30.87 ? 5   VAL   D CA  1 
ATOM   649  C C   . VAL   G  1 6  ? 20.518 20.934 17.936 1.00 34.45 ? 5   VAL   D C   1 
ATOM   650  O O   . VAL   G  1 6  ? 21.551 21.574 17.760 1.00 32.60 ? 5   VAL   D O   1 
ATOM   651  C CB  . VAL   G  1 6  ? 21.068 18.716 16.834 1.00 30.23 ? 5   VAL   D CB  1 
ATOM   652  C CG1 . VAL   G  1 6  ? 21.229 18.040 18.186 1.00 28.04 ? 5   VAL   D CG1 1 
ATOM   653  C CG2 . VAL   G  1 6  ? 20.631 17.718 15.764 1.00 31.06 ? 5   VAL   D CG2 1 
HETATM 654  N N   . DPR   G  1 7  ? 19.725 21.141 19.014 1.00 40.40 ? 6   DPR   D N   1 
HETATM 655  C CA  . DPR   G  1 7  ? 19.962 22.250 19.925 1.00 38.79 ? 6   DPR   D CA  1 
HETATM 656  C CB  . DPR   G  1 7  ? 18.827 22.151 20.956 1.00 46.63 ? 6   DPR   D CB  1 
HETATM 657  C CG  . DPR   G  1 7  ? 17.758 21.328 20.261 1.00 45.47 ? 6   DPR   D CG  1 
HETATM 658  C CD  . DPR   G  1 7  ? 18.527 20.368 19.376 1.00 44.87 ? 6   DPR   D CD  1 
HETATM 659  C C   . DPR   G  1 7  ? 19.903 23.509 19.076 1.00 36.10 ? 6   DPR   D C   1 
HETATM 660  O O   . DPR   G  1 7  ? 19.060 23.619 18.194 1.00 37.85 ? 6   DPR   D O   1 
ATOM   661  N N   . PRO   G  1 8  ? 20.855 24.448 19.245 1.00 33.96 ? 7   PRO   D N   1 
ATOM   662  C CA  . PRO   G  1 8  ? 20.937 25.616 18.376 1.00 30.79 ? 7   PRO   D CA  1 
ATOM   663  C C   . PRO   G  1 8  ? 21.626 25.435 17.034 1.00 28.51 ? 7   PRO   D C   1 
ATOM   664  O O   . PRO   G  1 8  ? 21.707 26.388 16.265 1.00 29.26 ? 7   PRO   D O   1 
ATOM   665  C CB  . PRO   G  1 8  ? 21.707 26.604 19.257 1.00 32.52 ? 7   PRO   D CB  1 
ATOM   666  C CG  . PRO   G  1 8  ? 22.588 25.748 20.116 1.00 33.94 ? 7   PRO   D CG  1 
ATOM   667  C CD  . PRO   G  1 8  ? 21.892 24.425 20.281 1.00 34.41 ? 7   PRO   D CD  1 
ATOM   668  N N   . THR   G  1 9  ? 22.126 24.235 16.733 1.00 26.32 ? 8   THR   D N   1 
ATOM   669  C CA  . THR   G  1 9  ? 23.057 24.135 15.622 1.00 26.56 ? 8   THR   D CA  1 
ATOM   670  C C   . THR   G  1 9  ? 22.431 23.463 14.407 1.00 24.30 ? 8   THR   D C   1 
ATOM   671  O O   . THR   G  1 9  ? 22.031 22.295 14.458 1.00 21.09 ? 8   THR   D O   1 
ATOM   672  C CB  . THR   G  1 9  ? 24.295 23.385 16.078 1.00 29.32 ? 8   THR   D CB  1 
ATOM   673  O OG1 . THR   G  1 9  ? 24.817 24.266 17.060 1.00 30.99 ? 8   THR   D OG1 1 
ATOM   674  C CG2 . THR   G  1 9  ? 25.310 23.238 14.969 1.00 31.26 ? 8   THR   D CG2 1 
ATOM   675  N N   . LYS   G  1 10 ? 22.468 24.200 13.295 1.00 22.85 ? 9   LYS   D N   1 
ATOM   676  C CA  . LYS   G  1 10 ? 22.072 23.711 11.992 1.00 24.90 ? 9   LYS   D CA  1 
ATOM   677  C C   . LYS   G  1 10 ? 23.281 23.102 11.291 1.00 25.02 ? 9   LYS   D C   1 
ATOM   678  O O   . LYS   G  1 10 ? 24.355 23.690 11.287 1.00 25.64 ? 9   LYS   D O   1 
ATOM   679  C CB  . LYS   G  1 10 ? 21.515 24.874 11.171 1.00 26.99 ? 9   LYS   D CB  1 
ATOM   680  C CG  . LYS   G  1 10 ? 20.127 25.274 11.608 1.00 28.77 ? 9   LYS   D CG  1 
ATOM   681  C CD  . LYS   G  1 10 ? 19.477 26.358 10.767 1.00 31.95 ? 9   LYS   D CD  1 
ATOM   682  C CE  . LYS   G  1 10 ? 18.082 26.630 11.269 1.00 34.95 ? 9   LYS   D CE  1 
ATOM   683  N NZ  . LYS   G  1 10 ? 17.267 27.214 10.200 1.00 36.61 ? 9   LYS   D NZ  1 
HETATM 684  N N   . A1A8T G  1 11 ? 23.074 21.942 10.670 1.00 23.86 ? 10  A1A8T D N   1 
HETATM 685  C CA  . A1A8T G  1 11 ? 24.113 21.195 9.976  1.00 26.35 ? 10  A1A8T D CA  1 
HETATM 686  C C   . A1A8T G  1 11 ? 23.413 20.253 9.004  1.00 27.01 ? 10  A1A8T D C   1 
HETATM 687  O O   . A1A8T G  1 11 ? 22.182 20.154 8.976  1.00 29.12 ? 10  A1A8T D O   1 
HETATM 688  C CB  . A1A8T G  1 11 ? 25.004 20.399 10.953 1.00 27.53 ? 10  A1A8T D CB  1 
HETATM 689  C CG1 . A1A8T G  1 11 ? 25.942 21.288 11.762 1.00 30.93 ? 10  A1A8T D CG1 1 
HETATM 690  C CG2 . A1A8T G  1 11 ? 24.193 19.521 11.893 1.00 26.69 ? 10  A1A8T D CG2 1 
HETATM 691  C C1  . A1A8T G  1 11 ? 24.993 22.086 9.064  1.00 27.04 ? 10  A1A8T D C1  1 
ATOM   692  N N   . LYS   G  1 12 ? 24.202 19.558 8.194  1.00 24.64 ? 11  LYS   D N   1 
ATOM   693  C CA  . LYS   G  1 12 ? 23.638 18.521 7.357  1.00 23.92 ? 11  LYS   D CA  1 
ATOM   694  C C   . LYS   G  1 12 ? 24.384 17.240 7.685  1.00 22.57 ? 11  LYS   D C   1 
ATOM   695  O O   . LYS   G  1 12 ? 25.596 17.246 7.808  1.00 22.09 ? 11  LYS   D O   1 
ATOM   696  C CB  . LYS   G  1 12 ? 23.702 18.981 5.899  1.00 24.86 ? 11  LYS   D CB  1 
ATOM   697  C CG  . LYS   G  1 12 ? 22.885 18.182 4.906  1.00 25.15 ? 11  LYS   D CG  1 
ATOM   698  C CD  . LYS   G  1 12 ? 22.992 18.712 3.485  1.00 28.41 ? 11  LYS   D CD  1 
ATOM   699  C CE  . LYS   G  1 12 ? 22.214 17.875 2.511  1.00 32.50 ? 11  LYS   D CE  1 
ATOM   700  N NZ  . LYS   G  1 12 ? 22.450 18.367 1.154  1.00 35.43 ? 11  LYS   D NZ  1 
ATOM   701  N N   . VAL   G  1 13 ? 23.632 16.162 7.886  1.00 22.63 ? 12  VAL   D N   1 
ATOM   702  C CA  . VAL   G  1 13 ? 24.190 14.854 8.146  1.00 22.86 ? 12  VAL   D CA  1 
ATOM   703  C C   . VAL   G  1 13 ? 23.700 13.903 7.050  1.00 25.31 ? 12  VAL   D C   1 
ATOM   704  O O   . VAL   G  1 13 ? 22.474 13.758 6.993  1.00 24.40 ? 12  VAL   D O   1 
ATOM   705  C CB  . VAL   G  1 13 ? 23.731 14.389 9.538  1.00 22.90 ? 12  VAL   D CB  1 
ATOM   706  C CG1 . VAL   G  1 13 ? 24.089 12.933 9.818  1.00 23.04 ? 12  VAL   D CG1 1 
ATOM   707  C CG2 . VAL   G  1 13 ? 24.281 15.300 10.616 1.00 22.89 ? 12  VAL   D CG2 1 
HETATM 708  N N   . ORN   H  1 1  ? 22.071 5.076  10.495 1.00 30.39 ? 13  ORN   d N   1 
HETATM 709  C CA  . ORN   H  1 1  ? 21.845 6.339  11.175 1.00 28.18 ? 13  ORN   d CA  1 
HETATM 710  C CB  . ORN   H  1 1  ? 20.450 6.306  11.815 1.00 28.85 ? 13  ORN   d CB  1 
HETATM 711  C CG  . ORN   H  1 1  ? 19.337 6.464  10.791 1.00 28.35 ? 13  ORN   d CG  1 
HETATM 712  C CD  . ORN   H  1 1  ? 19.450 7.805  10.086 1.00 26.06 ? 13  ORN   d CD  1 
HETATM 713  N NE  . ORN   H  1 1  ? 19.274 8.942  10.986 1.00 25.55 ? 13  ORN   d NE  1 
HETATM 714  C C   . ORN   H  1 1  ? 22.954 6.561  12.195 1.00 26.77 ? 13  ORN   d C   1 
HETATM 715  O O   . ORN   H  1 1  ? 23.581 5.609  12.632 1.00 24.84 ? 13  ORN   d O   1 
ATOM   716  N N   . VAL   H  1 2  ? 23.200 7.817  12.576 1.00 27.06 ? 1   VAL   d N   1 
ATOM   717  C CA  . VAL   H  1 2  ? 24.357 8.138  13.404 1.00 27.95 ? 1   VAL   d CA  1 
ATOM   718  C C   . VAL   H  1 2  ? 23.922 9.035  14.565 1.00 28.84 ? 1   VAL   d C   1 
ATOM   719  O O   . VAL   H  1 2  ? 22.992 9.830  14.439 1.00 25.30 ? 1   VAL   d O   1 
ATOM   720  C CB  . VAL   H  1 2  ? 25.432 8.798  12.521 1.00 31.37 ? 1   VAL   d CB  1 
ATOM   721  C CG1 . VAL   H  1 2  ? 25.007 10.182 12.035 1.00 31.74 ? 1   VAL   d CG1 1 
ATOM   722  C CG2 . VAL   H  1 2  ? 26.785 8.873  13.212 1.00 37.14 ? 1   VAL   d CG2 1 
ATOM   723  N N   . LYS   H  1 3  ? 24.583 8.876  15.712 1.00 26.57 ? 2   LYS   d N   1 
ATOM   724  C CA  . LYS   H  1 3  ? 24.405 9.783  16.830 1.00 27.20 ? 2   LYS   d CA  1 
ATOM   725  C C   . LYS   H  1 3  ? 24.950 11.163 16.454 1.00 25.73 ? 2   LYS   d C   1 
ATOM   726  O O   . LYS   H  1 3  ? 26.055 11.288 15.925 1.00 25.60 ? 2   LYS   d O   1 
ATOM   727  C CB  . LYS   H  1 3  ? 25.130 9.228  18.064 1.00 31.82 ? 2   LYS   d CB  1 
ATOM   728  C CG  . LYS   H  1 3  ? 24.476 9.544  19.405 1.00 37.17 ? 2   LYS   d CG  1 
ATOM   729  C CD  . LYS   H  1 3  ? 23.148 8.801  19.581 1.00 38.30 ? 2   LYS   d CD  1 
ATOM   730  C CE  . LYS   H  1 3  ? 22.261 9.261  20.703 1.00 36.58 ? 2   LYS   d CE  1 
ATOM   731  N NZ  . LYS   H  1 3  ? 20.971 8.584  20.622 1.00 33.62 ? 2   LYS   d NZ  1 
ATOM   732  N N   . VAL   H  1 4  ? 24.155 12.194 16.738 1.00 22.34 ? 3   VAL   d N   1 
ATOM   733  C CA  . VAL   H  1 4  ? 24.583 13.569 16.661 1.00 22.83 ? 3   VAL   d CA  1 
ATOM   734  C C   . VAL   H  1 4  ? 24.447 14.181 18.056 1.00 26.31 ? 3   VAL   d C   1 
ATOM   735  O O   . VAL   H  1 4  ? 23.417 13.994 18.712 1.00 28.41 ? 3   VAL   d O   1 
ATOM   736  C CB  . VAL   H  1 4  ? 23.719 14.334 15.650 1.00 21.68 ? 3   VAL   d CB  1 
ATOM   737  C CG1 . VAL   H  1 4  ? 24.198 15.771 15.560 1.00 22.92 ? 3   VAL   d CG1 1 
ATOM   738  C CG2 . VAL   H  1 4  ? 23.728 13.664 14.282 1.00 24.48 ? 3   VAL   d CG2 1 
ATOM   739  N N   . LYS   H  1 5  ? 25.470 14.926 18.485 1.00 23.23 ? 4   LYS   d N   1 
ATOM   740  C CA  . LYS   H  1 5  ? 25.447 15.600 19.775 1.00 23.80 ? 4   LYS   d CA  1 
ATOM   741  C C   . LYS   H  1 5  ? 25.925 17.043 19.615 1.00 24.42 ? 4   LYS   d C   1 
ATOM   742  O O   . LYS   H  1 5  ? 26.935 17.331 18.943 1.00 20.48 ? 4   LYS   d O   1 
ATOM   743  C CB  . LYS   H  1 5  ? 26.274 14.789 20.773 1.00 24.93 ? 4   LYS   d CB  1 
ATOM   744  C CG  . LYS   H  1 5  ? 26.090 15.166 22.219 1.00 26.44 ? 4   LYS   d CG  1 
ATOM   745  C CD  . LYS   H  1 5  ? 27.134 14.455 23.060 1.00 29.05 ? 4   LYS   d CD  1 
ATOM   746  C CE  . LYS   H  1 5  ? 26.992 14.719 24.520 1.00 31.36 ? 4   LYS   d CE  1 
ATOM   747  N NZ  . LYS   H  1 5  ? 28.263 14.327 25.127 1.00 33.53 ? 4   LYS   d NZ  1 
ATOM   748  N N   . VAL   H  1 6  ? 25.140 17.955 20.202 1.00 25.99 ? 5   VAL   d N   1 
ATOM   749  C CA  . VAL   H  1 6  ? 25.420 19.379 20.192 1.00 26.46 ? 5   VAL   d CA  1 
ATOM   750  C C   . VAL   H  1 6  ? 25.300 19.849 21.640 1.00 28.95 ? 5   VAL   d C   1 
ATOM   751  O O   . VAL   H  1 6  ? 24.232 19.741 22.248 1.00 26.01 ? 5   VAL   d O   1 
ATOM   752  C CB  . VAL   H  1 6  ? 24.492 20.188 19.265 1.00 27.50 ? 5   VAL   d CB  1 
ATOM   753  C CG1 . VAL   H  1 6  ? 24.798 21.680 19.352 1.00 28.54 ? 5   VAL   d CG1 1 
ATOM   754  C CG2 . VAL   H  1 6  ? 24.561 19.698 17.823 1.00 26.69 ? 5   VAL   d CG2 1 
HETATM 755  N N   . DPR   H  1 7  ? 26.402 20.304 22.272 1.00 31.96 ? 6   DPR   d N   1 
HETATM 756  C CA  . DPR   H  1 7  ? 26.378 20.555 23.711 1.00 34.83 ? 6   DPR   d CA  1 
HETATM 757  C CB  . DPR   H  1 7  ? 27.812 20.933 24.110 1.00 34.47 ? 6   DPR   d CB  1 
HETATM 758  C CG  . DPR   H  1 7  ? 28.665 20.614 22.886 1.00 35.13 ? 6   DPR   d CG  1 
HETATM 759  C CD  . DPR   H  1 7  ? 27.739 20.476 21.690 1.00 31.92 ? 6   DPR   d CD  1 
HETATM 760  C C   . DPR   H  1 7  ? 25.937 19.270 24.407 1.00 34.70 ? 6   DPR   d C   1 
HETATM 761  O O   . DPR   H  1 7  ? 26.439 18.188 24.109 1.00 31.72 ? 6   DPR   d O   1 
ATOM   762  N N   . PRO   H  1 8  ? 24.945 19.352 25.314 1.00 33.28 ? 7   PRO   d N   1 
ATOM   763  C CA  . PRO   H  1 8  ? 24.441 18.170 25.998 1.00 34.02 ? 7   PRO   d CA  1 
ATOM   764  C C   . PRO   H  1 8  ? 23.312 17.415 25.301 1.00 32.85 ? 7   PRO   d C   1 
ATOM   765  O O   . PRO   H  1 8  ? 22.872 16.392 25.806 1.00 30.16 ? 7   PRO   d O   1 
ATOM   766  C CB  . PRO   H  1 8  ? 23.979 18.824 27.317 1.00 35.38 ? 7   PRO   d CB  1 
ATOM   767  C CG  . PRO   H  1 8  ? 23.373 20.135 26.869 1.00 33.04 ? 7   PRO   d CG  1 
ATOM   768  C CD  . PRO   H  1 8  ? 24.324 20.601 25.787 1.00 36.33 ? 7   PRO   d CD  1 
ATOM   769  N N   . THR   H  1 9  ? 22.848 17.928 24.157 1.00 34.21 ? 8   THR   d N   1 
ATOM   770  C CA  . THR   H  1 9  ? 21.730 17.336 23.435 1.00 33.36 ? 8   THR   d CA  1 
ATOM   771  C C   . THR   H  1 9  ? 22.229 16.281 22.442 1.00 30.45 ? 8   THR   d C   1 
ATOM   772  O O   . THR   H  1 9  ? 22.849 16.628 21.435 1.00 27.01 ? 8   THR   d O   1 
ATOM   773  C CB  . THR   H  1 9  ? 20.965 18.436 22.699 1.00 31.13 ? 8   THR   d CB  1 
ATOM   774  O OG1 . THR   H  1 9  ? 20.768 19.479 23.643 1.00 29.69 ? 8   THR   d OG1 1 
ATOM   775  C CG2 . THR   H  1 9  ? 19.621 17.955 22.177 1.00 34.52 ? 8   THR   d CG2 1 
ATOM   776  N N   . LYS   H  1 10 ? 21.912 15.010 22.721 1.00 28.09 ? 9   LYS   d N   1 
ATOM   777  C CA  . LYS   H  1 10 ? 22.155 13.908 21.806 1.00 29.84 ? 9   LYS   d CA  1 
ATOM   778  C C   . LYS   H  1 10 ? 20.838 13.560 21.123 1.00 26.03 ? 9   LYS   d C   1 
ATOM   779  O O   . LYS   H  1 10 ? 19.788 13.728 21.727 1.00 23.06 ? 9   LYS   d O   1 
ATOM   780  C CB  . LYS   H  1 10 ? 22.681 12.646 22.496 1.00 35.94 ? 9   LYS   d CB  1 
ATOM   781  C CG  . LYS   H  1 10 ? 23.842 12.836 23.456 1.00 44.71 ? 9   LYS   d CG  1 
ATOM   782  C CD  . LYS   H  1 10 ? 23.865 11.815 24.586 1.00 51.76 ? 9   LYS   d CD  1 
ATOM   783  C CE  . LYS   H  1 10 ? 23.927 10.413 24.072 1.00 57.64 ? 9   LYS   d CE  1 
ATOM   784  N NZ  . LYS   H  1 10 ? 23.998 9.461  25.184 1.00 63.79 ? 9   LYS   d NZ  1 
HETATM 785  N N   . A1A8T H  1 11 ? 20.930 13.084 19.865 1.00 25.48 ? 10  A1A8T d N   1 
HETATM 786  C CA  . A1A8T H  1 11 ? 19.814 12.594 19.054 1.00 24.21 ? 10  A1A8T d CA  1 
HETATM 787  C C   . A1A8T H  1 11 ? 20.418 11.587 18.080 1.00 25.26 ? 10  A1A8T d C   1 
HETATM 788  O O   . A1A8T H  1 11 ? 21.630 11.397 18.072 1.00 27.01 ? 10  A1A8T d O   1 
HETATM 789  C CB  . A1A8T H  1 11 ? 19.067 13.693 18.257 1.00 23.73 ? 10  A1A8T d CB  1 
HETATM 790  C CG1 . A1A8T H  1 11 ? 18.498 14.772 19.152 1.00 25.37 ? 10  A1A8T d CG1 1 
HETATM 791  C CG2 . A1A8T H  1 11 ? 19.920 14.345 17.155 1.00 23.49 ? 10  A1A8T d CG2 1 
HETATM 792  C C1  . A1A8T H  1 11 ? 18.835 11.757 19.919 1.00 23.31 ? 10  A1A8T d C1  1 
ATOM   793  N N   . LYS   H  1 12 ? 19.580 10.983 17.232 1.00 23.42 ? 11  LYS   d N   1 
ATOM   794  C CA  . LYS   H  1 12 ? 20.060 10.061 16.230 1.00 23.16 ? 11  LYS   d CA  1 
ATOM   795  C C   . LYS   H  1 12 ? 19.396 10.422 14.915 1.00 23.99 ? 11  LYS   d C   1 
ATOM   796  O O   . LYS   H  1 12 ? 18.209 10.756 14.882 1.00 23.52 ? 11  LYS   d O   1 
ATOM   797  C CB  . LYS   H  1 12 ? 19.812 8.606  16.633 1.00 25.77 ? 11  LYS   d CB  1 
ATOM   798  C CG  . LYS   H  1 12 ? 20.747 7.604  15.979 1.00 27.64 ? 11  LYS   d CG  1 
ATOM   799  C CD  . LYS   H  1 12 ? 20.773 6.213  16.606 1.00 28.39 ? 11  LYS   d CD  1 
ATOM   800  C CE  . LYS   H  1 12 ? 21.486 5.240  15.732 1.00 33.13 ? 11  LYS   d CE  1 
ATOM   801  N NZ  . LYS   H  1 12 ? 21.325 3.844  16.173 1.00 34.42 ? 11  LYS   d NZ  1 
ATOM   802  N N   . VAL   H  1 13 ? 20.202 10.379 13.853 1.00 21.65 ? 12  VAL   d N   1 
ATOM   803  C CA  . VAL   H  1 13 ? 19.759 10.770 12.539 1.00 24.50 ? 12  VAL   d CA  1 
ATOM   804  C C   . VAL   H  1 13 ? 20.241 9.681  11.584 1.00 24.86 ? 12  VAL   d C   1 
ATOM   805  O O   . VAL   H  1 13 ? 21.467 9.624  11.461 1.00 24.04 ? 12  VAL   d O   1 
ATOM   806  C CB  . VAL   H  1 13 ? 20.298 12.143 12.092 1.00 24.40 ? 12  VAL   d CB  1 
ATOM   807  C CG1 . VAL   H  1 13 ? 19.821 12.502 10.685 1.00 26.02 ? 12  VAL   d CG1 1 
ATOM   808  C CG2 . VAL   H  1 13 ? 19.944 13.247 13.073 1.00 25.28 ? 12  VAL   d CG2 1 
HETATM 809  N N   . ORN   I  1 1  ? 12.766 10.971 3.024  1.00 39.82 ? 13  ORN   E N   1 
HETATM 810  C CA  . ORN   I  1 1  ? 12.531 11.118 4.451  1.00 33.15 ? 13  ORN   E CA  1 
HETATM 811  C CB  . ORN   I  1 1  ? 11.141 10.567 4.792  1.00 33.71 ? 13  ORN   E CB  1 
HETATM 812  C CG  . ORN   I  1 1  ? 9.990  11.488 4.407  1.00 29.88 ? 13  ORN   E CG  1 
HETATM 813  C CD  . ORN   I  1 1  ? 9.881  12.720 5.289  1.00 28.01 ? 13  ORN   E CD  1 
HETATM 814  N NE  . ORN   I  1 1  ? 9.599  12.459 6.705  1.00 26.98 ? 13  ORN   E NE  1 
HETATM 815  C C   . ORN   I  1 1  ? 13.594 10.327 5.205  1.00 33.58 ? 13  ORN   E C   1 
HETATM 816  O O   . ORN   I  1 1  ? 14.230 9.444  4.641  1.00 32.32 ? 13  ORN   E O   1 
ATOM   817  N N   . VAL   I  1 2  ? 13.738 10.594 6.503  1.00 29.88 ? 1   VAL   E N   1 
ATOM   818  C CA  . VAL   I  1 2  ? 14.856 10.039 7.238  1.00 28.89 ? 1   VAL   E CA  1 
ATOM   819  C C   . VAL   I  1 2  ? 14.355 9.477  8.567  1.00 26.85 ? 1   VAL   E C   1 
ATOM   820  O O   . VAL   I  1 2  ? 13.481 10.055 9.205  1.00 23.60 ? 1   VAL   E O   1 
ATOM   821  C CB  . VAL   I  1 2  ? 15.922 11.133 7.430  1.00 30.28 ? 1   VAL   E CB  1 
ATOM   822  C CG1 . VAL   I  1 2  ? 15.448 12.231 8.374  1.00 31.26 ? 1   VAL   E CG1 1 
ATOM   823  C CG2 . VAL   I  1 2  ? 17.255 10.564 7.903  1.00 31.29 ? 1   VAL   E CG2 1 
ATOM   824  N N   . LYS   I  1 3  ? 14.896 8.319  8.934  1.00 24.35 ? 2   LYS   E N   1 
ATOM   825  C CA  . LYS   I  1 3  ? 14.747 7.782  10.268 1.00 27.31 ? 2   LYS   E CA  1 
ATOM   826  C C   . LYS   I  1 3  ? 15.455 8.699  11.256 1.00 23.74 ? 2   LYS   E C   1 
ATOM   827  O O   . LYS   I  1 3  ? 16.589 9.142  11.033 1.00 23.08 ? 2   LYS   E O   1 
ATOM   828  C CB  . LYS   I  1 3  ? 15.354 6.379  10.345 1.00 29.56 ? 2   LYS   E CB  1 
ATOM   829  C CG  . LYS   I  1 3  ? 14.536 5.300  9.705  1.00 32.01 ? 2   LYS   E CG  1 
ATOM   830  C CD  . LYS   I  1 3  ? 15.292 3.981  9.574  1.00 36.54 ? 2   LYS   E CD  1 
ATOM   831  C CE  . LYS   I  1 3  ? 14.443 2.966  8.866  1.00 40.99 ? 2   LYS   E CE  1 
ATOM   832  N NZ  . LYS   I  1 3  ? 14.833 1.579  9.137  1.00 44.71 ? 2   LYS   E NZ  1 
ATOM   833  N N   . VAL   I  1 4  ? 14.768 8.973  12.353 1.00 24.63 ? 3   VAL   E N   1 
ATOM   834  C CA  . VAL   I  1 4  ? 15.288 9.885  13.345 1.00 25.98 ? 3   VAL   E CA  1 
ATOM   835  C C   . VAL   I  1 4  ? 14.864 9.395  14.718 1.00 27.68 ? 3   VAL   E C   1 
ATOM   836  O O   . VAL   I  1 4  ? 13.887 8.640  14.846 1.00 23.76 ? 3   VAL   E O   1 
ATOM   837  C CB  . VAL   I  1 4  ? 14.802 11.311 13.025 1.00 28.31 ? 3   VAL   E CB  1 
ATOM   838  C CG1 . VAL   I  1 4  ? 13.326 11.505 13.346 1.00 30.68 ? 3   VAL   E CG1 1 
ATOM   839  C CG2 . VAL   I  1 4  ? 15.635 12.374 13.714 1.00 29.48 ? 3   VAL   E CG2 1 
ATOM   840  N N   . LYS   I  1 5  ? 15.668 9.781  15.722 1.00 27.37 ? 4   LYS   E N   1 
ATOM   841  C CA  . LYS   I  1 5  ? 15.302 9.621  17.119 1.00 24.87 ? 4   LYS   E CA  1 
ATOM   842  C C   . LYS   I  1 5  ? 15.274 11.001 17.751 1.00 22.95 ? 4   LYS   E C   1 
ATOM   843  O O   . LYS   I  1 5  ? 16.296 11.671 17.814 1.00 23.02 ? 4   LYS   E O   1 
ATOM   844  C CB  . LYS   I  1 5  ? 16.262 8.747  17.938 1.00 25.57 ? 4   LYS   E CB  1 
ATOM   845  C CG  . LYS   I  1 5  ? 15.690 8.423  19.312 1.00 28.45 ? 4   LYS   E CG  1 
ATOM   846  C CD  . LYS   I  1 5  ? 16.632 7.778  20.319 1.00 29.52 ? 4   LYS   E CD  1 
ATOM   847  C CE  . LYS   I  1 5  ? 16.947 6.382  19.984 1.00 32.58 ? 4   LYS   E CE  1 
ATOM   848  N NZ  . LYS   I  1 5  ? 17.821 5.836  21.026 1.00 38.03 ? 4   LYS   E NZ  1 
ATOM   849  N N   . VAL   I  1 6  ? 14.096 11.381 18.230 1.00 24.80 ? 5   VAL   E N   1 
ATOM   850  C CA  . VAL   I  1 6  ? 13.861 12.656 18.872 1.00 25.62 ? 5   VAL   E CA  1 
ATOM   851  C C   . VAL   I  1 6  ? 13.533 12.382 20.330 1.00 26.29 ? 5   VAL   E C   1 
ATOM   852  O O   . VAL   I  1 6  ? 12.518 11.763 20.609 1.00 28.71 ? 5   VAL   E O   1 
ATOM   853  C CB  . VAL   I  1 6  ? 12.685 13.322 18.149 1.00 27.97 ? 5   VAL   E CB  1 
ATOM   854  C CG1 . VAL   I  1 6  ? 12.236 14.599 18.854 1.00 31.30 ? 5   VAL   E CG1 1 
ATOM   855  C CG2 . VAL   I  1 6  ? 13.026 13.604 16.691 1.00 29.42 ? 5   VAL   E CG2 1 
HETATM 856  N N   . DPR   I  1 7  ? 14.357 12.808 21.307 1.00 28.77 ? 6   DPR   E N   1 
HETATM 857  C CA  . DPR   I  1 7  ? 14.172 12.365 22.684 1.00 30.17 ? 6   DPR   E CA  1 
HETATM 858  C CB  . DPR   I  1 7  ? 15.222 13.122 23.497 1.00 31.72 ? 6   DPR   E CB  1 
HETATM 859  C CG  . DPR   I  1 7  ? 16.230 13.593 22.473 1.00 31.21 ? 6   DPR   E CG  1 
HETATM 860  C CD  . DPR   I  1 7  ? 15.469 13.754 21.172 1.00 32.64 ? 6   DPR   E CD  1 
HETATM 861  C C   . DPR   I  1 7  ? 14.392 10.862 22.711 1.00 29.78 ? 6   DPR   E C   1 
HETATM 862  O O   . DPR   I  1 7  ? 15.330 10.371 22.086 1.00 33.58 ? 6   DPR   E O   1 
ATOM   863  N N   . PRO   I  1 8  ? 13.523 10.101 23.408 1.00 27.09 ? 7   PRO   E N   1 
ATOM   864  C CA  . PRO   I  1 8  ? 13.570 8.641  23.363 1.00 27.76 ? 7   PRO   E CA  1 
ATOM   865  C C   . PRO   I  1 8  ? 12.820 8.002  22.199 1.00 27.00 ? 7   PRO   E C   1 
ATOM   866  O O   . PRO   I  1 8  ? 12.778 6.785  22.112 1.00 27.58 ? 7   PRO   E O   1 
ATOM   867  C CB  . PRO   I  1 8  ? 12.881 8.283  24.691 1.00 26.64 ? 7   PRO   E CB  1 
ATOM   868  C CG  . PRO   I  1 8  ? 11.840 9.339  24.840 1.00 26.03 ? 7   PRO   E CG  1 
ATOM   869  C CD  . PRO   I  1 8  ? 12.462 10.610 24.293 1.00 24.91 ? 7   PRO   E CD  1 
ATOM   870  N N   . THR   I  1 9  ? 12.174 8.807  21.346 1.00 27.46 ? 8   THR   E N   1 
ATOM   871  C CA  . THR   I  1 9  ? 11.218 8.248  20.410 1.00 26.39 ? 8   THR   E CA  1 
ATOM   872  C C   . THR   I  1 9  ? 11.820 8.159  19.017 1.00 25.17 ? 8   THR   E C   1 
ATOM   873  O O   . THR   I  1 9  ? 12.220 9.168  18.448 1.00 24.08 ? 8   THR   E O   1 
ATOM   874  C CB  . THR   I  1 9  ? 9.970  9.118  20.400 1.00 27.23 ? 8   THR   E CB  1 
ATOM   875  O OG1 . THR   I  1 9  ? 9.584  9.108  21.767 1.00 26.77 ? 8   THR   E OG1 1 
ATOM   876  C CG2 . THR   I  1 9  ? 8.918  8.542  19.475 1.00 26.69 ? 8   THR   E CG2 1 
ATOM   877  N N   . LYS   I  1 10 ? 11.793 6.955  18.454 1.00 27.99 ? 9   LYS   E N   1 
ATOM   878  C CA  . LYS   I  1 10 ? 12.133 6.743  17.059 1.00 30.67 ? 9   LYS   E CA  1 
ATOM   879  C C   . LYS   I  1 10 ? 10.891 6.948  16.192 1.00 30.09 ? 9   LYS   E C   1 
ATOM   880  O O   . LYS   I  1 10 ? 9.784  6.779  16.679 1.00 32.20 ? 9   LYS   E O   1 
ATOM   881  C CB  . LYS   I  1 10 ? 12.745 5.347  16.901 1.00 33.37 ? 9   LYS   E CB  1 
ATOM   882  C CG  . LYS   I  1 10 ? 14.193 5.226  17.352 1.00 36.91 ? 9   LYS   E CG  1 
ATOM   883  C CD  . LYS   I  1 10 ? 14.888 3.918  16.986 1.00 38.47 ? 9   LYS   E CD  1 
ATOM   884  C CE  . LYS   I  1 10 ? 14.323 2.713  17.664 1.00 44.57 ? 9   LYS   E CE  1 
ATOM   885  N NZ  . LYS   I  1 10 ? 15.172 1.531  17.448 1.00 50.27 ? 9   LYS   E NZ  1 
HETATM 886  N N   . A1A8T I  1 11 ? 11.111 7.325  14.921 1.00 30.84 ? 10  A1A8T E N   1 
HETATM 887  C CA  . A1A8T I  1 11 ? 10.078 7.619  13.931 1.00 28.59 ? 10  A1A8T E CA  1 
HETATM 888  C C   . A1A8T I  1 11 ? 10.769 7.971  12.613 1.00 27.32 ? 10  A1A8T E C   1 
HETATM 889  O O   . A1A8T I  1 11 ? 11.939 8.327  12.611 1.00 27.70 ? 10  A1A8T E O   1 
HETATM 890  C CB  . A1A8T I  1 11 ? 9.199  8.788  14.429 1.00 29.29 ? 10  A1A8T E CB  1 
HETATM 891  C CG1 . A1A8T I  1 11 ? 9.981  10.096 14.561 1.00 29.25 ? 10  A1A8T E CG1 1 
HETATM 892  C CG2 . A1A8T I  1 11 ? 7.979  9.020  13.547 1.00 32.26 ? 10  A1A8T E CG2 1 
HETATM 893  C C1  . A1A8T I  1 11 ? 9.286  6.320  13.659 1.00 29.21 ? 10  A1A8T E C1  1 
ATOM   894  N N   . LYS   I  1 12 ? 10.041 7.940  11.491 1.00 27.68 ? 11  LYS   E N   1 
ATOM   895  C CA  . LYS   I  1 12 ? 10.576 8.390  10.218 1.00 26.40 ? 11  LYS   E CA  1 
ATOM   896  C C   . LYS   I  1 12 ? 9.848  9.656  9.765  1.00 25.39 ? 11  LYS   E C   1 
ATOM   897  O O   . LYS   I  1 12 ? 8.622  9.677  9.722  1.00 21.92 ? 11  LYS   E O   1 
ATOM   898  C CB  . LYS   I  1 12 ? 10.422 7.233  9.230  1.00 28.65 ? 11  LYS   E CB  1 
ATOM   899  C CG  . LYS   I  1 12 ? 11.074 7.465  7.886  1.00 33.01 ? 11  LYS   E CG  1 
ATOM   900  C CD  . LYS   I  1 12 ? 11.195 6.182  7.076  1.00 37.14 ? 11  LYS   E CD  1 
ATOM   901  C CE  . LYS   I  1 12 ? 11.945 6.357  5.800  1.00 40.23 ? 11  LYS   E CE  1 
ATOM   902  N NZ  . LYS   I  1 12 ? 12.047 5.048  5.135  1.00 44.44 ? 11  LYS   E NZ  1 
ATOM   903  N N   . VAL   I  1 13 ? 10.614 10.691 9.418  1.00 22.15 ? 12  VAL   E N   1 
ATOM   904  C CA  . VAL   I  1 13 ? 10.079 11.997 9.075  1.00 26.45 ? 12  VAL   E CA  1 
ATOM   905  C C   . VAL   I  1 13 ? 10.533 12.312 7.642  1.00 26.34 ? 12  VAL   E C   1 
ATOM   906  O O   . VAL   I  1 13 ? 11.771 12.380 7.442  1.00 24.74 ? 12  VAL   E O   1 
ATOM   907  C CB  . VAL   I  1 13 ? 10.522 13.122 10.032 1.00 29.89 ? 12  VAL   E CB  1 
ATOM   908  C CG1 . VAL   I  1 13 ? 9.961  14.490 9.648  1.00 30.41 ? 12  VAL   E CG1 1 
ATOM   909  C CG2 . VAL   I  1 13 ? 10.181 12.820 11.487 1.00 31.12 ? 12  VAL   E CG2 1 
HETATM 910  N N   . ORN   J  1 1  ? 11.918 21.536 5.754  1.00 30.16 ? 13  ORN   e N   1 
HETATM 911  C CA  . ORN   J  1 1  ? 12.098 20.737 6.952  1.00 26.83 ? 13  ORN   e CA  1 
HETATM 912  C CB  . ORN   J  1 1  ? 13.554 20.821 7.406  1.00 27.40 ? 13  ORN   e CB  1 
HETATM 913  C CG  . ORN   J  1 1  ? 14.409 19.977 6.479  1.00 27.77 ? 13  ORN   e CG  1 
HETATM 914  C CD  . ORN   J  1 1  ? 15.429 19.107 7.167  1.00 29.74 ? 13  ORN   e CD  1 
HETATM 915  N NE  . ORN   J  1 1  ? 15.008 18.083 8.122  1.00 31.73 ? 13  ORN   e NE  1 
HETATM 916  C C   . ORN   J  1 1  ? 11.114 21.164 8.023  1.00 28.29 ? 13  ORN   e C   1 
HETATM 917  O O   . ORN   J  1 1  ? 10.590 22.267 7.955  1.00 28.26 ? 13  ORN   e O   1 
ATOM   918  N N   . VAL   J  1 2  ? 10.915 20.290 9.018  1.00 25.94 ? 1   VAL   e N   1 
ATOM   919  C CA  . VAL   J  1 2  ? 9.862  20.465 9.996  1.00 25.97 ? 1   VAL   e CA  1 
ATOM   920  C C   . VAL   J  1 2  ? 10.395 20.251 11.413 1.00 26.43 ? 1   VAL   e C   1 
ATOM   921  O O   . VAL   J  1 2  ? 11.247 19.397 11.676 1.00 24.20 ? 1   VAL   e O   1 
ATOM   922  C CB  . VAL   J  1 2  ? 8.718  19.484 9.670  1.00 28.33 ? 1   VAL   e CB  1 
ATOM   923  C CG1 . VAL   J  1 2  ? 9.175  18.032 9.697  1.00 25.90 ? 1   VAL   e CG1 1 
ATOM   924  C CG2 . VAL   J  1 2  ? 7.524  19.699 10.592 1.00 29.44 ? 1   VAL   e CG2 1 
ATOM   925  N N   . LYS   J  1 3  ? 9.870  21.073 12.323 1.00 26.78 ? 2   LYS   e N   1 
ATOM   926  C CA  . LYS   J  1 3  ? 10.013 20.867 13.753 1.00 28.19 ? 2   LYS   e CA  1 
ATOM   927  C C   . LYS   J  1 3  ? 9.409  19.526 14.160 1.00 25.26 ? 2   LYS   e C   1 
ATOM   928  O O   . LYS   J  1 3  ? 8.268  19.210 13.843 1.00 23.70 ? 2   LYS   e O   1 
ATOM   929  C CB  . LYS   J  1 3  ? 9.277  22.013 14.435 1.00 30.40 ? 2   LYS   e CB  1 
ATOM   930  C CG  . LYS   J  1 3  ? 9.400  22.078 15.935 1.00 37.84 ? 2   LYS   e CG  1 
ATOM   931  C CD  . LYS   J  1 3  ? 8.860  23.427 16.415 1.00 43.77 ? 2   LYS   e CD  1 
ATOM   932  C CE  . LYS   J  1 3  ? 8.278  23.420 17.791 1.00 46.75 ? 2   LYS   e CE  1 
ATOM   933  N NZ  . LYS   J  1 3  ? 7.533  24.662 18.029 1.00 47.32 ? 2   LYS   e NZ  1 
ATOM   934  N N   . VAL   J  1 4  ? 10.205 18.715 14.836 1.00 24.25 ? 3   VAL   e N   1 
ATOM   935  C CA  . VAL   J  1 4  ? 9.688  17.523 15.473 1.00 24.22 ? 3   VAL   e CA  1 
ATOM   936  C C   . VAL   J  1 4  ? 9.883  17.686 16.972 1.00 23.83 ? 3   VAL   e C   1 
ATOM   937  O O   . VAL   J  1 4  ? 10.956 18.115 17.385 1.00 23.51 ? 3   VAL   e O   1 
ATOM   938  C CB  . VAL   J  1 4  ? 10.393 16.262 14.968 1.00 24.67 ? 3   VAL   e CB  1 
ATOM   939  C CG1 . VAL   J  1 4  ? 9.714  15.021 15.531 1.00 26.89 ? 3   VAL   e CG1 1 
ATOM   940  C CG2 . VAL   J  1 4  ? 10.432 16.232 13.457 1.00 25.75 ? 3   VAL   e CG2 1 
ATOM   941  N N   . LYS   J  1 5  ? 8.832  17.387 17.750 1.00 24.47 ? 4   LYS   e N   1 
ATOM   942  C CA  . LYS   J  1 5  ? 8.821  17.601 19.196 1.00 29.28 ? 4   LYS   e CA  1 
ATOM   943  C C   . LYS   J  1 5  ? 8.298  16.362 19.916 1.00 26.79 ? 4   LYS   e C   1 
ATOM   944  O O   . LYS   J  1 5  ? 7.288  15.795 19.515 1.00 27.12 ? 4   LYS   e O   1 
ATOM   945  C CB  . LYS   J  1 5  ? 7.883  18.708 19.681 1.00 33.12 ? 4   LYS   e CB  1 
ATOM   946  C CG  . LYS   J  1 5  ? 8.315  20.135 19.440 1.00 40.95 ? 4   LYS   e CG  1 
ATOM   947  C CD  . LYS   J  1 5  ? 7.551  21.120 20.323 1.00 47.39 ? 4   LYS   e CD  1 
ATOM   948  C CE  . LYS   J  1 5  ? 7.939  21.015 21.766 1.00 53.31 ? 4   LYS   e CE  1 
ATOM   949  N NZ  . LYS   J  1 5  ? 7.263  22.008 22.605 1.00 57.19 ? 4   LYS   e NZ  1 
ATOM   950  N N   . VAL   J  1 6  ? 8.990  15.986 20.984 1.00 24.71 ? 5   VAL   e N   1 
ATOM   951  C CA  . VAL   J  1 6  ? 8.614  14.881 21.852 1.00 26.03 ? 5   VAL   e CA  1 
ATOM   952  C C   . VAL   J  1 6  ? 8.616  15.425 23.286 1.00 26.70 ? 5   VAL   e C   1 
ATOM   953  O O   . VAL   J  1 6  ? 9.672  15.596 23.882 1.00 22.82 ? 5   VAL   e O   1 
ATOM   954  C CB  . VAL   J  1 6  ? 9.574  13.686 21.688 1.00 25.30 ? 5   VAL   e CB  1 
ATOM   955  C CG1 . VAL   J  1 6  ? 9.352  12.608 22.736 1.00 24.45 ? 5   VAL   e CG1 1 
ATOM   956  C CG2 . VAL   J  1 6  ? 9.541  13.110 20.277 1.00 27.06 ? 5   VAL   e CG2 1 
HETATM 957  N N   . DPR   J  1 7  ? 7.443  15.787 23.847 1.00 29.83 ? 6   DPR   e N   1 
HETATM 958  C CA  . DPR   J  1 7  ? 7.392  16.488 25.122 1.00 32.05 ? 6   DPR   e CA  1 
HETATM 959  C CB  . DPR   J  1 7  ? 5.903  16.781 25.390 1.00 32.26 ? 6   DPR   e CB  1 
HETATM 960  C CG  . DPR   J  1 7  ? 5.162  16.380 24.127 1.00 34.93 ? 6   DPR   e CG  1 
HETATM 961  C CD  . DPR   J  1 7  ? 6.109  15.579 23.255 1.00 32.95 ? 6   DPR   e CD  1 
HETATM 962  C C   . DPR   J  1 7  ? 8.181  17.788 24.988 1.00 34.44 ? 6   DPR   e C   1 
HETATM 963  O O   . DPR   J  1 7  ? 8.065  18.473 23.978 1.00 33.89 ? 6   DPR   e O   1 
ATOM   964  N N   . PRO   J  1 8  ? 9.047  18.149 25.957 1.00 33.22 ? 7   PRO   e N   1 
ATOM   965  C CA  . PRO   J  1 8  ? 9.786  19.398 25.848 1.00 33.56 ? 7   PRO   e CA  1 
ATOM   966  C C   . PRO   J  1 8  ? 11.030 19.370 24.960 1.00 35.94 ? 7   PRO   e C   1 
ATOM   967  O O   . PRO   J  1 8  ? 11.703 20.387 24.879 1.00 36.15 ? 7   PRO   e O   1 
ATOM   968  C CB  . PRO   J  1 8  ? 10.150 19.627 27.313 1.00 32.25 ? 7   PRO   e CB  1 
ATOM   969  C CG  . PRO   J  1 8  ? 10.463 18.255 27.813 1.00 31.70 ? 7   PRO   e CG  1 
ATOM   970  C CD  . PRO   J  1 8  ? 9.379  17.389 27.179 1.00 32.44 ? 7   PRO   e CD  1 
ATOM   971  N N   . THR   J  1 9  ? 11.364 18.242 24.306 1.00 34.79 ? 8   THR   e N   1 
ATOM   972  C CA  . THR   J  1 9  ? 12.489 18.278 23.376 1.00 35.89 ? 8   THR   e CA  1 
ATOM   973  C C   . THR   J  1 9  ? 12.007 18.561 21.954 1.00 33.72 ? 8   THR   e C   1 
ATOM   974  O O   . THR   J  1 9  ? 11.209 17.809 21.408 1.00 31.60 ? 8   THR   e O   1 
ATOM   975  C CB  . THR   J  1 9  ? 13.334 17.011 23.400 1.00 35.77 ? 8   THR   e CB  1 
ATOM   976  O OG1 . THR   J  1 9  ? 13.597 16.828 24.782 1.00 39.63 ? 8   THR   e OG1 1 
ATOM   977  C CG2 . THR   J  1 9  ? 14.626 17.183 22.618 1.00 33.90 ? 8   THR   e CG2 1 
ATOM   978  N N   . LYS   J  1 10 ? 12.554 19.644 21.381 1.00 37.17 ? 9   LYS   e N   1 
ATOM   979  C CA  . LYS   J  1 10 ? 12.333 20.102 20.018 1.00 37.66 ? 9   LYS   e CA  1 
ATOM   980  C C   . LYS   J  1 10 ? 13.610 19.873 19.210 1.00 37.31 ? 9   LYS   e C   1 
ATOM   981  O O   . LYS   J  1 10 ? 14.700 19.897 19.779 1.00 42.01 ? 9   LYS   e O   1 
ATOM   982  C CB  . LYS   J  1 10 ? 12.065 21.617 20.064 1.00 42.58 ? 9   LYS   e CB  1 
ATOM   983  C CG  . LYS   J  1 10 ? 12.092 22.347 18.713 1.00 51.38 ? 9   LYS   e CG  1 
ATOM   984  C CD  . LYS   J  1 10 ? 12.348 23.857 18.721 1.00 56.11 ? 9   LYS   e CD  1 
ATOM   985  C CE  . LYS   J  1 10 ? 13.150 24.382 17.531 1.00 53.73 ? 9   LYS   e CE  1 
ATOM   986  N NZ  . LYS   J  1 10 ? 12.808 23.890 16.187 1.00 48.52 ? 9   LYS   e NZ  1 
HETATM 987  N N   . A1A8T J  1 11 ? 13.455 19.660 17.892 1.00 34.49 ? 10  A1A8T e N   1 
HETATM 988  C CA  . A1A8T J  1 11 ? 14.516 19.744 16.891 1.00 33.28 ? 10  A1A8T e CA  1 
HETATM 989  C C   . A1A8T J  1 11 ? 13.849 20.086 15.564 1.00 33.01 ? 10  A1A8T e C   1 
HETATM 990  O O   . A1A8T J  1 11 ? 12.632 20.211 15.524 1.00 36.32 ? 10  A1A8T e O   1 
HETATM 991  C CB  . A1A8T J  1 11 ? 15.309 18.441 16.702 1.00 34.20 ? 10  A1A8T e CB  1 
HETATM 992  C CG1 . A1A8T J  1 11 ? 16.058 18.020 17.959 1.00 36.43 ? 10  A1A8T e CG1 1 
HETATM 993  C CG2 . A1A8T J  1 11 ? 14.403 17.329 16.173 1.00 35.81 ? 10  A1A8T e CG2 1 
HETATM 994  C C1  . A1A8T J  1 11 ? 15.457 20.932 17.183 1.00 32.93 ? 10  A1A8T e C1  1 
ATOM   995  N N   . LYS   J  1 12 ? 14.637 20.143 14.483 1.00 27.08 ? 11  LYS   e N   1 
ATOM   996  C CA  . LYS   J  1 12 ? 14.112 20.356 13.145 1.00 26.50 ? 11  LYS   e CA  1 
ATOM   997  C C   . LYS   J  1 12 ? 14.775 19.376 12.175 1.00 26.41 ? 11  LYS   e C   1 
ATOM   998  O O   . LYS   J  1 12 ? 16.001 19.240 12.162 1.00 25.59 ? 11  LYS   e O   1 
ATOM   999  C CB  . LYS   J  1 12 ? 14.338 21.843 12.861 1.00 27.94 ? 11  LYS   e CB  1 
ATOM   1000 C CG  . LYS   J  1 12 ? 13.646 22.350 11.629 1.00 30.81 ? 11  LYS   e CG  1 
ATOM   1001 C CD  . LYS   J  1 12 ? 13.574 23.861 11.498 1.00 33.02 ? 11  LYS   e CD  1 
ATOM   1002 C CE  . LYS   J  1 12 ? 12.763 24.192 10.259 1.00 36.46 ? 11  LYS   e CE  1 
ATOM   1003 N NZ  . LYS   J  1 12 ? 12.877 25.602 9.888  1.00 36.06 ? 11  LYS   e NZ  1 
ATOM   1004 N N   . VAL   J  1 13 ? 13.979 18.672 11.353 1.00 26.90 ? 12  VAL   e N   1 
ATOM   1005 C CA  . VAL   J  1 13 ? 14.558 17.752 10.380 1.00 28.53 ? 12  VAL   e CA  1 
ATOM   1006 C C   . VAL   J  1 13 ? 14.001 18.014 8.965  1.00 29.85 ? 12  VAL   e C   1 
ATOM   1007 O O   . VAL   J  1 13 ? 12.776 18.228 8.791  1.00 25.93 ? 12  VAL   e O   1 
ATOM   1008 C CB  . VAL   J  1 13 ? 14.465 16.264 10.779 1.00 32.52 ? 12  VAL   e CB  1 
ATOM   1009 C CG1 . VAL   J  1 13 ? 13.411 15.993 11.831 1.00 37.40 ? 12  VAL   e CG1 1 
ATOM   1010 C CG2 . VAL   J  1 13 ? 14.306 15.327 9.588  1.00 30.72 ? 12  VAL   e CG2 1 
HETATM 1011 N N   . ORN   K  1 1  ? 60.804 20.360 4.909  1.00 29.73 ? 13  ORN   F N   1 
HETATM 1012 C CA  . ORN   K  1 1  ? 60.483 19.096 5.532  1.00 28.33 ? 13  ORN   F CA  1 
HETATM 1013 C CB  . ORN   K  1 1  ? 59.059 18.714 5.112  1.00 28.04 ? 13  ORN   F CB  1 
HETATM 1014 C CG  . ORN   K  1 1  ? 57.974 19.534 5.793  1.00 25.86 ? 13  ORN   F CG  1 
HETATM 1015 C CD  . ORN   K  1 1  ? 57.856 19.244 7.279  1.00 28.61 ? 13  ORN   F CD  1 
HETATM 1016 N NE  . ORN   K  1 1  ? 57.504 17.852 7.576  1.00 28.21 ? 13  ORN   F NE  1 
HETATM 1017 C C   . ORN   K  1 1  ? 61.544 18.058 5.148  1.00 27.35 ? 13  ORN   F C   1 
HETATM 1018 O O   . ORN   K  1 1  ? 62.226 18.169 4.128  1.00 25.39 ? 13  ORN   F O   1 
ATOM   1019 N N   . VAL   K  1 2  ? 61.647 16.999 5.938  1.00 26.19 ? 1   VAL   F N   1 
ATOM   1020 C CA  . VAL   K  1 2  ? 62.734 16.055 5.737  1.00 27.46 ? 1   VAL   F CA  1 
ATOM   1021 C C   . VAL   K  1 2  ? 62.222 14.632 5.931  1.00 27.29 ? 1   VAL   F C   1 
ATOM   1022 O O   . VAL   K  1 2  ? 61.268 14.393 6.672  1.00 23.99 ? 1   VAL   F O   1 
ATOM   1023 C CB  . VAL   K  1 2  ? 63.867 16.422 6.713  1.00 26.93 ? 1   VAL   F CB  1 
ATOM   1024 C CG1 . VAL   K  1 2  ? 63.391 16.313 8.156  1.00 26.62 ? 1   VAL   F CG1 1 
ATOM   1025 C CG2 . VAL   K  1 2  ? 65.112 15.581 6.477  1.00 29.48 ? 1   VAL   F CG2 1 
ATOM   1026 N N   . LYS   K  1 3  ? 62.883 13.717 5.232  1.00 29.32 ? 2   LYS   F N   1 
ATOM   1027 C CA  . LYS   K  1 3  ? 62.675 12.289 5.350  1.00 34.34 ? 2   LYS   F CA  1 
ATOM   1028 C C   . LYS   K  1 3  ? 63.320 11.795 6.647  1.00 31.98 ? 2   LYS   F C   1 
ATOM   1029 O O   . LYS   K  1 3  ? 64.481 12.077 6.916  1.00 32.84 ? 2   LYS   F O   1 
ATOM   1030 C CB  . LYS   K  1 3  ? 63.294 11.688 4.081  1.00 38.72 ? 2   LYS   F CB  1 
ATOM   1031 C CG  . LYS   K  1 3  ? 62.837 10.312 3.657  1.00 46.48 ? 2   LYS   F CG  1 
ATOM   1032 C CD  . LYS   K  1 3  ? 61.511 10.325 2.910  1.00 51.14 ? 2   LYS   F CD  1 
ATOM   1033 C CE  . LYS   K  1 3  ? 60.829 8.985  2.903  1.00 46.56 ? 2   LYS   F CE  1 
ATOM   1034 N NZ  . LYS   K  1 3  ? 59.553 9.103  2.203  1.00 39.85 ? 2   LYS   F NZ  1 
ATOM   1035 N N   . VAL   K  1 4  ? 62.536 11.090 7.466  1.00 31.02 ? 3   VAL   F N   1 
ATOM   1036 C CA  . VAL   K  1 4  ? 63.038 10.454 8.667  1.00 31.35 ? 3   VAL   F CA  1 
ATOM   1037 C C   . VAL   K  1 4  ? 62.701 8.962  8.600  1.00 32.04 ? 3   VAL   F C   1 
ATOM   1038 O O   . VAL   K  1 4  ? 61.629 8.550  8.147  1.00 29.41 ? 3   VAL   F O   1 
ATOM   1039 C CB  . VAL   K  1 4  ? 62.493 11.083 9.966  1.00 30.61 ? 3   VAL   F CB  1 
ATOM   1040 C CG1 . VAL   K  1 4  ? 62.737 12.583 10.032 1.00 32.20 ? 3   VAL   F CG1 1 
ATOM   1041 C CG2 . VAL   K  1 4  ? 61.019 10.809 10.157 1.00 30.85 ? 3   VAL   F CG2 1 
ATOM   1042 N N   . LYS   K  1 5  ? 63.648 8.156  9.065  1.00 30.36 ? 4   LYS   F N   1 
ATOM   1043 C CA  . LYS   K  1 5  ? 63.465 6.722  9.170  1.00 33.46 ? 4   LYS   F CA  1 
ATOM   1044 C C   . LYS   K  1 5  ? 63.807 6.308  10.590 1.00 33.59 ? 4   LYS   F C   1 
ATOM   1045 O O   . LYS   K  1 5  ? 64.856 6.691  11.099 1.00 28.26 ? 4   LYS   F O   1 
ATOM   1046 C CB  . LYS   K  1 5  ? 64.394 5.874  8.296  1.00 33.23 ? 4   LYS   F CB  1 
ATOM   1047 C CG  . LYS   K  1 5  ? 64.030 5.744  6.841  1.00 37.19 ? 4   LYS   F CG  1 
ATOM   1048 C CD  . LYS   K  1 5  ? 64.924 6.512  5.870  1.00 36.70 ? 4   LYS   F CD  1 
ATOM   1049 C CE  . LYS   K  1 5  ? 65.061 7.945  6.229  1.00 28.94 ? 4   LYS   F CE  1 
ATOM   1050 N NZ  . LYS   K  1 5  ? 65.373 8.634  5.014  1.00 29.77 ? 4   LYS   F NZ  1 
ATOM   1051 N N   . VAL   K  1 6  ? 62.908 5.530  11.190 1.00 38.21 ? 5   VAL   F N   1 
ATOM   1052 C CA  . VAL   K  1 6  ? 63.204 4.806  12.409 1.00 46.69 ? 5   VAL   F CA  1 
ATOM   1053 C C   . VAL   K  1 6  ? 63.067 3.310  12.142 1.00 51.79 ? 5   VAL   F C   1 
ATOM   1054 O O   . VAL   K  1 6  ? 61.959 2.790  12.075 1.00 60.06 ? 5   VAL   F O   1 
ATOM   1055 C CB  . VAL   K  1 6  ? 62.268 5.236  13.544 1.00 48.18 ? 5   VAL   F CB  1 
ATOM   1056 C CG1 . VAL   K  1 6  ? 62.729 4.610  14.852 1.00 54.80 ? 5   VAL   F CG1 1 
ATOM   1057 C CG2 . VAL   K  1 6  ? 62.155 6.752  13.646 1.00 44.68 ? 5   VAL   F CG2 1 
HETATM 1058 N N   . DPR   K  1 7  ? 64.167 2.542  12.020 1.00 56.67 ? 6   DPR   F N   1 
HETATM 1059 C CA  . DPR   K  1 7  ? 64.032 1.108  11.805 1.00 59.86 ? 6   DPR   F CA  1 
HETATM 1060 C CB  . DPR   K  1 7  ? 65.471 0.584  11.656 1.00 60.51 ? 6   DPR   F CB  1 
HETATM 1061 C CG  . DPR   K  1 7  ? 66.322 1.826  11.437 1.00 56.67 ? 6   DPR   F CG  1 
HETATM 1062 C CD  . DPR   K  1 7  ? 65.572 2.974  12.086 1.00 55.17 ? 6   DPR   F CD  1 
HETATM 1063 C C   . DPR   K  1 7  ? 63.185 0.894  10.557 1.00 58.82 ? 6   DPR   F C   1 
HETATM 1064 O O   . DPR   K  1 7  ? 63.553 1.380  9.489  1.00 52.73 ? 6   DPR   F O   1 
ATOM   1065 N N   . PRO   K  1 8  ? 62.005 0.232  10.666 1.00 57.81 ? 7   PRO   F N   1 
ATOM   1066 C CA  . PRO   K  1 8  ? 61.236 -0.143 9.480  1.00 55.50 ? 7   PRO   F CA  1 
ATOM   1067 C C   . PRO   K  1 8  ? 60.375 0.977  8.902  1.00 47.79 ? 7   PRO   F C   1 
ATOM   1068 O O   . PRO   K  1 8  ? 59.989 0.899  7.740  1.00 48.39 ? 7   PRO   F O   1 
ATOM   1069 C CB  . PRO   K  1 8  ? 60.389 -1.319 9.991  1.00 55.08 ? 7   PRO   F CB  1 
ATOM   1070 C CG  . PRO   K  1 8  ? 60.143 -0.991 11.449 1.00 53.24 ? 7   PRO   F CG  1 
ATOM   1071 C CD  . PRO   K  1 8  ? 61.336 -0.170 11.919 1.00 52.63 ? 7   PRO   F CD  1 
ATOM   1072 N N   . THR   K  1 9  ? 60.098 2.013  9.701  1.00 41.04 ? 8   THR   F N   1 
ATOM   1073 C CA  . THR   K  1 9  ? 59.179 3.071  9.295  1.00 42.43 ? 8   THR   F CA  1 
ATOM   1074 C C   . THR   K  1 9  ? 59.944 4.285  8.775  1.00 38.55 ? 8   THR   F C   1 
ATOM   1075 O O   . THR   K  1 9  ? 60.764 4.864  9.489  1.00 38.96 ? 8   THR   F O   1 
ATOM   1076 C CB  . THR   K  1 9  ? 58.302 3.482  10.473 1.00 42.25 ? 8   THR   F CB  1 
ATOM   1077 O OG1 . THR   K  1 9  ? 57.932 2.238  11.046 1.00 48.90 ? 8   THR   F OG1 1 
ATOM   1078 C CG2 . THR   K  1 9  ? 57.085 4.294  10.064 1.00 41.40 ? 8   THR   F CG2 1 
ATOM   1079 N N   . LYS   K  1 10 ? 59.615 4.686  7.546  1.00 33.89 ? 9   LYS   F N   1 
ATOM   1080 C CA  . LYS   K  1 10 ? 59.995 5.984  7.021  1.00 32.74 ? 9   LYS   F CA  1 
ATOM   1081 C C   . LYS   K  1 10 ? 58.756 6.878  6.942  1.00 29.22 ? 9   LYS   F C   1 
ATOM   1082 O O   . LYS   K  1 10 ? 57.615 6.408  6.950  1.00 26.25 ? 9   LYS   F O   1 
ATOM   1083 C CB  . LYS   K  1 10 ? 60.648 5.845  5.646  1.00 36.44 ? 9   LYS   F CB  1 
ATOM   1084 C CG  . LYS   K  1 10 ? 59.825 5.120  4.596  1.00 42.75 ? 9   LYS   F CG  1 
ATOM   1085 C CD  . LYS   K  1 10 ? 60.408 5.232  3.188  1.00 50.53 ? 9   LYS   F CD  1 
ATOM   1086 C CE  . LYS   K  1 10 ? 60.126 4.017  2.351  1.00 51.51 ? 9   LYS   F CE  1 
ATOM   1087 N NZ  . LYS   K  1 10 ? 60.212 4.333  0.927  1.00 52.84 ? 9   LYS   F NZ  1 
HETATM 1088 N N   . A1A8T K  1 11 ? 59.008 8.185  6.900  1.00 24.27 ? 10  A1A8T F N   1 
HETATM 1089 C CA  . A1A8T K  1 11 ? 57.979 9.169  6.636  1.00 26.31 ? 10  A1A8T F CA  1 
HETATM 1090 C C   . A1A8T K  1 11 ? 58.717 10.482 6.390  1.00 24.69 ? 10  A1A8T F C   1 
HETATM 1091 O O   . A1A8T K  1 11 ? 59.879 10.626 6.765  1.00 26.60 ? 10  A1A8T F O   1 
HETATM 1092 C CB  . A1A8T K  1 11 ? 56.981 9.229  7.821  1.00 26.70 ? 10  A1A8T F CB  1 
HETATM 1093 C CG1 . A1A8T K  1 11 ? 57.665 9.527  9.150  1.00 27.25 ? 10  A1A8T F CG1 1 
HETATM 1094 C CG2 . A1A8T K  1 11 ? 55.825 10.193 7.595  1.00 27.61 ? 10  A1A8T F CG2 1 
HETATM 1095 C C1  . A1A8T K  1 11 ? 57.261 8.749  5.329  1.00 24.46 ? 10  A1A8T F C1  1 
ATOM   1096 N N   . LYS   K  1 12 ? 58.056 11.423 5.727  1.00 22.96 ? 11  LYS   F N   1 
ATOM   1097 C CA  . LYS   K  1 12 ? 58.613 12.743 5.527  1.00 24.52 ? 11  LYS   F CA  1 
ATOM   1098 C C   . LYS   K  1 12 ? 57.795 13.741 6.337  1.00 25.43 ? 11  LYS   F C   1 
ATOM   1099 O O   . LYS   K  1 12 ? 56.569 13.814 6.206  1.00 22.41 ? 11  LYS   F O   1 
ATOM   1100 C CB  . LYS   K  1 12 ? 58.621 13.020 4.023  1.00 25.82 ? 11  LYS   F CB  1 
ATOM   1101 C CG  . LYS   K  1 12 ? 59.361 14.275 3.643  1.00 29.14 ? 11  LYS   F CG  1 
ATOM   1102 C CD  . LYS   K  1 12 ? 59.436 14.477 2.135  1.00 33.43 ? 11  LYS   F CD  1 
ATOM   1103 C CE  . LYS   K  1 12 ? 60.143 15.752 1.794  1.00 38.50 ? 11  LYS   F CE  1 
ATOM   1104 N NZ  . LYS   K  1 12 ? 60.380 15.882 0.351  1.00 41.56 ? 11  LYS   F NZ  1 
ATOM   1105 N N   . VAL   K  1 13 ? 58.493 14.524 7.161  1.00 25.78 ? 12  VAL   F N   1 
ATOM   1106 C CA  . VAL   K  1 13 ? 57.836 15.454 8.053  1.00 27.53 ? 12  VAL   F CA  1 
ATOM   1107 C C   . VAL   K  1 13 ? 58.377 16.878 7.810  1.00 27.22 ? 12  VAL   F C   1 
ATOM   1108 O O   . VAL   K  1 13 ? 59.600 17.064 7.834  1.00 27.48 ? 12  VAL   F O   1 
ATOM   1109 C CB  . VAL   K  1 13 ? 57.979 14.957 9.508  1.00 30.85 ? 12  VAL   F CB  1 
ATOM   1110 C CG1 . VAL   K  1 13 ? 59.379 14.463 9.843  1.00 33.96 ? 12  VAL   F CG1 1 
ATOM   1111 C CG2 . VAL   K  1 13 ? 57.535 15.990 10.523 1.00 31.25 ? 12  VAL   F CG2 1 
HETATM 1112 N N   . ORN   L  1 1  ? 2.321  22.681 13.873 1.00 37.86 ? 13  ORN   f N   1 
HETATM 1113 C CA  . ORN   L  1 1  ? 2.584  21.267 14.054 1.00 37.14 ? 13  ORN   f CA  1 
HETATM 1114 C CB  . ORN   L  1 1  ? 3.927  21.137 14.774 1.00 37.60 ? 13  ORN   f CB  1 
HETATM 1115 C CG  . ORN   L  1 1  ? 5.096  21.516 13.883 1.00 35.53 ? 13  ORN   f CG  1 
HETATM 1116 C CD  . ORN   L  1 1  ? 5.213  20.560 12.715 1.00 34.37 ? 13  ORN   f CD  1 
HETATM 1117 N NE  . ORN   L  1 1  ? 5.487  19.189 13.147 1.00 34.27 ? 13  ORN   f NE  1 
HETATM 1118 C C   . ORN   L  1 1  ? 1.477  20.617 14.877 1.00 36.43 ? 13  ORN   f C   1 
HETATM 1119 O O   . ORN   L  1 1  ? 0.846  21.280 15.691 1.00 34.00 ? 13  ORN   f O   1 
ATOM   1120 N N   . VAL   L  1 2  ? 1.330  19.294 14.734 1.00 36.36 ? 1   VAL   f N   1 
ATOM   1121 C CA  . VAL   L  1 2  ? 0.247  18.578 15.389 1.00 34.88 ? 1   VAL   f CA  1 
ATOM   1122 C C   . VAL   L  1 2  ? 0.732  17.269 16.023 1.00 33.00 ? 1   VAL   f C   1 
ATOM   1123 O O   . VAL   L  1 2  ? 1.590  16.561 15.484 1.00 29.63 ? 1   VAL   f O   1 
ATOM   1124 C CB  . VAL   L  1 2  ? -0.845 18.344 14.327 1.00 36.52 ? 1   VAL   f CB  1 
ATOM   1125 C CG1 . VAL   L  1 2  ? -0.394 17.376 13.235 1.00 34.06 ? 1   VAL   f CG1 1 
ATOM   1126 C CG2 . VAL   L  1 2  ? -2.148 17.875 14.949 1.00 36.04 ? 1   VAL   f CG2 1 
ATOM   1127 N N   . LYS   L  1 3  ? 0.128  16.962 17.177 1.00 31.90 ? 2   LYS   f N   1 
ATOM   1128 C CA  . LYS   L  1 3  ? 0.214  15.673 17.840 1.00 34.03 ? 2   LYS   f CA  1 
ATOM   1129 C C   . LYS   L  1 3  ? -0.312 14.546 16.951 1.00 31.46 ? 2   LYS   f C   1 
ATOM   1130 O O   . LYS   L  1 3  ? -1.389 14.620 16.380 1.00 30.43 ? 2   LYS   f O   1 
ATOM   1131 C CB  . LYS   L  1 3  ? -0.636 15.760 19.110 1.00 39.96 ? 2   LYS   f CB  1 
ATOM   1132 C CG  . LYS   L  1 3  ? -0.139 16.699 20.217 1.00 44.16 ? 2   LYS   f CG  1 
ATOM   1133 C CD  . LYS   L  1 3  ? -1.175 16.918 21.320 1.00 52.94 ? 2   LYS   f CD  1 
ATOM   1134 C CE  . LYS   L  1 3  ? -0.857 18.016 22.291 1.00 54.88 ? 2   LYS   f CE  1 
ATOM   1135 N NZ  . LYS   L  1 3  ? 0.475  17.842 22.875 1.00 57.55 ? 2   LYS   f NZ  1 
ATOM   1136 N N   . VAL   L  1 4  ? 0.457  13.467 16.852 1.00 31.46 ? 3   VAL   f N   1 
ATOM   1137 C CA  . VAL   L  1 4  ? 0.054  12.335 16.045 1.00 34.94 ? 3   VAL   f CA  1 
ATOM   1138 C C   . VAL   L  1 4  ? 0.375  11.095 16.873 1.00 35.81 ? 3   VAL   f C   1 
ATOM   1139 O O   . VAL   L  1 4  ? 1.354  11.091 17.617 1.00 36.26 ? 3   VAL   f O   1 
ATOM   1140 C CB  . VAL   L  1 4  ? 0.715  12.323 14.651 1.00 34.84 ? 3   VAL   f CB  1 
ATOM   1141 C CG1 . VAL   L  1 4  ? 2.225  12.265 14.727 1.00 40.33 ? 3   VAL   f CG1 1 
ATOM   1142 C CG2 . VAL   L  1 4  ? 0.241  11.160 13.796 1.00 41.06 ? 3   VAL   f CG2 1 
ATOM   1143 N N   . LYS   L  1 5  ? -0.461 10.065 16.751 1.00 32.03 ? 4   LYS   f N   1 
ATOM   1144 C CA  . LYS   L  1 5  ? -0.254 8.836  17.487 1.00 38.28 ? 4   LYS   f CA  1 
ATOM   1145 C C   . LYS   L  1 5  ? -0.637 7.648  16.619 1.00 46.40 ? 4   LYS   f C   1 
ATOM   1146 O O   . LYS   L  1 5  ? -1.755 7.594  16.108 1.00 41.04 ? 4   LYS   f O   1 
ATOM   1147 C CB  . LYS   L  1 5  ? -1.083 8.814  18.771 1.00 40.54 ? 4   LYS   f CB  1 
ATOM   1148 C CG  . LYS   L  1 5  ? -0.886 7.589  19.657 1.00 44.93 ? 4   LYS   f CG  1 
ATOM   1149 C CD  . LYS   L  1 5  ? -1.605 7.708  20.998 1.00 48.74 ? 4   LYS   f CD  1 
ATOM   1150 C CE  . LYS   L  1 5  ? -1.092 6.758  22.029 1.00 55.12 ? 4   LYS   f CE  1 
ATOM   1151 N NZ  . LYS   L  1 5  ? -1.868 6.830  23.275 1.00 59.79 ? 4   LYS   f NZ  1 
ATOM   1152 N N   . VAL   L  1 6  ? 0.314  6.706  16.505 1.00 53.60 ? 5   VAL   f N   1 
ATOM   1153 C CA  . VAL   L  1 6  ? 0.137  5.440  15.810 1.00 58.29 ? 5   VAL   f CA  1 
ATOM   1154 C C   . VAL   L  1 6  ? 0.406  4.284  16.775 1.00 62.98 ? 5   VAL   f C   1 
ATOM   1155 O O   . VAL   L  1 6  ? 1.549  3.990  17.116 1.00 65.02 ? 5   VAL   f O   1 
ATOM   1156 C CB  . VAL   L  1 6  ? 1.073  5.335  14.597 1.00 54.61 ? 5   VAL   f CB  1 
ATOM   1157 C CG1 . VAL   L  1 6  ? 0.815  4.041  13.842 1.00 58.68 ? 5   VAL   f CG1 1 
ATOM   1158 C CG2 . VAL   L  1 6  ? 0.952  6.544  13.678 1.00 57.93 ? 5   VAL   f CG2 1 
HETATM 1159 N N   . DPR   L  1 7  ? -0.628 3.561  17.248 1.00 67.13 ? 6   DPR   f N   1 
HETATM 1160 C CA  . DPR   L  1 7  ? -0.392 2.446  18.157 1.00 68.66 ? 6   DPR   f CA  1 
HETATM 1161 C CB  . DPR   L  1 7  ? -1.779 1.822  18.391 1.00 68.03 ? 6   DPR   f CB  1 
HETATM 1162 C CG  . DPR   L  1 7  ? -2.767 2.913  18.000 1.00 67.88 ? 6   DPR   f CG  1 
HETATM 1163 C CD  . DPR   L  1 7  ? -2.056 3.787  16.982 1.00 69.75 ? 6   DPR   f CD  1 
HETATM 1164 C C   . DPR   L  1 7  ? 0.239  3.034  19.411 1.00 64.39 ? 6   DPR   f C   1 
HETATM 1165 O O   . DPR   L  1 7  ? -0.311 3.960  20.001 1.00 64.54 ? 6   DPR   f O   1 
ATOM   1166 N N   . PRO   L  1 8  ? 1.438  2.568  19.820 1.00 63.05 ? 7   PRO   f N   1 
ATOM   1167 C CA  . PRO   L  1 8  ? 2.065  3.094  21.033 1.00 62.31 ? 7   PRO   f CA  1 
ATOM   1168 C C   . PRO   L  1 8  ? 2.805  4.423  20.875 1.00 52.51 ? 7   PRO   f C   1 
ATOM   1169 O O   . PRO   L  1 8  ? 3.028  5.112  21.868 1.00 63.09 ? 7   PRO   f O   1 
ATOM   1170 C CB  . PRO   L  1 8  ? 3.004  1.927  21.394 1.00 61.20 ? 7   PRO   f CB  1 
ATOM   1171 C CG  . PRO   L  1 8  ? 3.452  1.385  20.046 1.00 60.71 ? 7   PRO   f CG  1 
ATOM   1172 C CD  . PRO   L  1 8  ? 2.245  1.537  19.144 1.00 58.94 ? 7   PRO   f CD  1 
ATOM   1173 N N   . THR   L  1 9  ? 3.160  4.787  19.636 1.00 45.60 ? 8   THR   f N   1 
ATOM   1174 C CA  . THR   L  1 9  ? 4.075  5.898  19.387 1.00 42.89 ? 8   THR   f CA  1 
ATOM   1175 C C   . THR   L  1 9  ? 3.314  7.195  19.132 1.00 38.45 ? 8   THR   f C   1 
ATOM   1176 O O   . THR   L  1 9  ? 2.696  7.355  18.082 1.00 41.12 ? 8   THR   f O   1 
ATOM   1177 C CB  . THR   L  1 9  ? 4.961  5.589  18.180 1.00 39.44 ? 8   THR   f CB  1 
ATOM   1178 O OG1 . THR   L  1 9  ? 5.494  4.296  18.448 1.00 37.19 ? 8   THR   f OG1 1 
ATOM   1179 C CG2 . THR   L  1 9  ? 6.035  6.646  17.962 1.00 36.01 ? 8   THR   f CG2 1 
ATOM   1180 N N   . LYS   L  1 10 ? 3.459  8.148  20.051 1.00 35.40 ? 9   LYS   f N   1 
ATOM   1181 C CA  . LYS   L  1 10 ? 3.025  9.512  19.828 1.00 35.29 ? 9   LYS   f CA  1 
ATOM   1182 C C   . LYS   L  1 10 ? 4.243  10.406 19.572 1.00 35.28 ? 9   LYS   f C   1 
ATOM   1183 O O   . LYS   L  1 10 ? 5.338  10.140 20.047 1.00 35.34 ? 9   LYS   f O   1 
ATOM   1184 C CB  . LYS   L  1 10 ? 2.112  9.922  20.991 1.00 36.56 ? 9   LYS   f CB  1 
ATOM   1185 C CG  . LYS   L  1 10 ? 2.694  9.893  22.385 1.00 41.21 ? 9   LYS   f CG  1 
ATOM   1186 C CD  . LYS   L  1 10 ? 1.630  9.957  23.481 1.00 44.30 ? 9   LYS   f CD  1 
ATOM   1187 C CE  . LYS   L  1 10 ? 2.181  10.148 24.877 1.00 46.93 ? 9   LYS   f CE  1 
ATOM   1188 N NZ  . LYS   L  1 10 ? 2.452  11.557 25.198 1.00 51.91 ? 9   LYS   f NZ  1 
HETATM 1189 N N   . A1A8T L  1 11 ? 4.030  11.462 18.785 1.00 34.44 ? 10  A1A8T f N   1 
HETATM 1190 C CA  . A1A8T L  1 11 ? 5.023  12.475 18.460 1.00 34.09 ? 10  A1A8T f CA  1 
HETATM 1191 C C   . A1A8T L  1 11 ? 4.272  13.715 17.977 1.00 29.32 ? 10  A1A8T f C   1 
HETATM 1192 O O   . A1A8T L  1 11 ? 3.139  13.629 17.522 1.00 28.51 ? 10  A1A8T f O   1 
HETATM 1193 C CB  . A1A8T L  1 11 ? 5.996  12.030 17.346 1.00 37.10 ? 10  A1A8T f CB  1 
HETATM 1194 C CG1 . A1A8T L  1 11 ? 7.013  10.999 17.809 1.00 46.67 ? 10  A1A8T f CG1 1 
HETATM 1195 C CG2 . A1A8T L  1 11 ? 5.252  11.507 16.120 1.00 35.96 ? 10  A1A8T f CG2 1 
HETATM 1196 C C1  . A1A8T L  1 11 ? 5.722  12.885 19.785 1.00 34.44 ? 10  A1A8T f C1  1 
ATOM   1197 N N   . LYS   L  1 12 ? 4.935  14.865 17.978 1.00 26.80 ? 11  LYS   f N   1 
ATOM   1198 C CA  . LYS   L  1 12 ? 4.327  16.065 17.440 1.00 28.39 ? 11  LYS   f CA  1 
ATOM   1199 C C   . LYS   L  1 12 ? 5.124  16.468 16.213 1.00 27.58 ? 11  LYS   f C   1 
ATOM   1200 O O   . LYS   L  1 12 ? 6.336  16.667 16.315 1.00 27.72 ? 11  LYS   f O   1 
ATOM   1201 C CB  . LYS   L  1 12 ? 4.326  17.156 18.509 1.00 32.78 ? 11  LYS   f CB  1 
ATOM   1202 C CG  . LYS   L  1 12 ? 3.673  18.464 18.095 1.00 37.52 ? 11  LYS   f CG  1 
ATOM   1203 C CD  . LYS   L  1 12 ? 3.606  19.448 19.257 1.00 41.52 ? 11  LYS   f CD  1 
ATOM   1204 C CE  . LYS   L  1 12 ? 2.542  20.478 19.109 1.00 45.59 ? 11  LYS   f CE  1 
ATOM   1205 N NZ  . LYS   L  1 12 ? 2.651  21.137 17.806 1.00 49.91 ? 11  LYS   f NZ  1 
ATOM   1206 N N   . VAL   L  1 13 ? 4.454  16.569 15.064 1.00 25.41 ? 12  VAL   f N   1 
ATOM   1207 C CA  . VAL   L  1 13 ? 5.156  16.897 13.836 1.00 29.38 ? 12  VAL   f CA  1 
ATOM   1208 C C   . VAL   L  1 13 ? 4.594  18.210 13.258 1.00 32.12 ? 12  VAL   f C   1 
ATOM   1209 O O   . VAL   L  1 13 ? 3.367  18.292 12.972 1.00 34.11 ? 12  VAL   f O   1 
ATOM   1210 C CB  . VAL   L  1 13 ? 5.182  15.723 12.829 1.00 31.92 ? 12  VAL   f CB  1 
ATOM   1211 C CG1 . VAL   L  1 13 ? 3.991  14.791 12.978 1.00 34.30 ? 12  VAL   f CG1 1 
ATOM   1212 C CG2 . VAL   L  1 13 ? 5.338  16.169 11.379 1.00 33.31 ? 12  VAL   f CG2 1 
HETATM 1213 I I3  . I3C   M  2 .  ? 45.913 21.942 8.718  1.00 28.86 ? 101 I3C   B I3  1 
HETATM 1214 I I2  . I3C   M  2 .  ? 40.847 24.737 10.589 1.00 53.93 ? 101 I3C   B I2  1 
HETATM 1215 I I1  . I3C   M  2 .  ? 46.121 27.955 9.394  1.00 48.24 ? 101 I3C   B I1  1 
HETATM 1216 O O8  . I3C   M  2 .  ? 47.806 24.983 9.753  1.00 31.23 ? 101 I3C   B O8  1 
HETATM 1217 O O9  . I3C   M  2 .  ? 47.398 25.108 7.619  1.00 31.25 ? 101 I3C   B O9  1 
HETATM 1218 C C10 . I3C   M  2 .  ? 42.976 27.406 10.285 1.00 32.55 ? 101 I3C   B C10 1 
HETATM 1219 N N13 . I3C   M  2 .  ? 42.917 22.560 9.633  1.00 26.59 ? 101 I3C   B N13 1 
HETATM 1220 C C1  . I3C   M  2 .  ? 45.574 24.955 9.165  1.00 33.30 ? 101 I3C   B C1  1 
HETATM 1221 C C6  . I3C   M  2 .  ? 44.903 23.727 9.201  1.00 30.70 ? 101 I3C   B C6  1 
HETATM 1222 C C5  . I3C   M  2 .  ? 43.564 23.722 9.592  1.00 27.82 ? 101 I3C   B C5  1 
HETATM 1223 C C4  . I3C   M  2 .  ? 42.898 24.892 9.958  1.00 34.91 ? 101 I3C   B C4  1 
HETATM 1224 C C3  . I3C   M  2 .  ? 43.621 26.102 9.905  1.00 32.67 ? 101 I3C   B C3  1 
HETATM 1225 C C2  . I3C   M  2 .  ? 44.963 26.144 9.530  1.00 35.43 ? 101 I3C   B C2  1 
HETATM 1226 C C7  . I3C   M  2 .  ? 47.016 25.021 8.787  1.00 31.07 ? 101 I3C   B C7  1 
HETATM 1227 O O11 . I3C   M  2 .  ? 43.051 27.751 11.472 1.00 35.91 ? 101 I3C   B O11 1 
HETATM 1228 O O12 . I3C   M  2 .  ? 42.422 28.113 9.433  1.00 28.79 ? 101 I3C   B O12 1 
HETATM 1229 I I3  . I3C   N  2 .  ? 31.582 14.465 0.889  1.00 66.37 ? 101 I3C   C I3  1 
HETATM 1230 I I2  . I3C   N  2 .  ? 26.515 16.401 3.682  1.00 34.22 ? 101 I3C   C I2  1 
HETATM 1231 I I1  . I3C   N  2 .  ? 26.389 15.334 -2.307 1.00 57.63 ? 101 I3C   C I1  1 
HETATM 1232 O O8  . I3C   N  2 .  ? 29.287 15.426 -2.748 1.00 48.35 ? 101 I3C   C O8  1 
HETATM 1233 O O9  . I3C   N  2 .  ? 29.941 13.521 -1.980 1.00 40.50 ? 101 I3C   C O9  1 
HETATM 1234 C C10 . I3C   N  2 .  ? 25.337 16.173 0.619  1.00 32.26 ? 101 I3C   C C10 1 
HETATM 1235 N N13 . I3C   N  2 .  ? 29.477 15.498 3.125  1.00 34.72 ? 101 I3C   C N13 1 
HETATM 1236 C C1  . I3C   N  2 .  ? 28.802 15.035 -0.454 1.00 40.85 ? 101 I3C   C C1  1 
HETATM 1237 C C6  . I3C   N  2 .  ? 29.525 15.054 0.758  1.00 45.80 ? 101 I3C   C C6  1 
HETATM 1238 C C5  . I3C   N  2 .  ? 28.839 15.465 1.926  1.00 37.91 ? 101 I3C   C C5  1 
HETATM 1239 C C4  . I3C   N  2 .  ? 27.479 15.832 1.895  1.00 38.55 ? 101 I3C   C C4  1 
HETATM 1240 C C3  . I3C   N  2 .  ? 26.778 15.788 0.685  1.00 32.17 ? 101 I3C   C C3  1 
HETATM 1241 C C2  . I3C   N  2 .  ? 27.447 15.392 -0.469 1.00 46.07 ? 101 I3C   C C2  1 
HETATM 1242 C C7  . I3C   N  2 .  ? 29.392 14.626 -1.793 1.00 44.67 ? 101 I3C   C C7  1 
HETATM 1243 O O11 . I3C   N  2 .  ? 24.506 15.253 0.814  1.00 32.44 ? 101 I3C   C O11 1 
HETATM 1244 O O12 . I3C   N  2 .  ? 24.976 17.376 0.401  1.00 32.12 ? 101 I3C   C O12 1 
HETATM 1245 I I3  . I3C   O  2 .  ? 35.209 33.460 11.750 1.00 43.83 ? 101 I3C   c I3  1 
HETATM 1246 I I2  . I3C   O  2 .  ? 40.263 34.603 15.245 1.00 30.52 ? 101 I3C   c I2  1 
HETATM 1247 I I1  . I3C   O  2 .  ? 40.446 30.091 11.044 1.00 34.49 ? 101 I3C   c I1  1 
HETATM 1248 O O8  . I3C   O  2 .  ? 37.814 31.336 9.366  1.00 33.37 ? 101 I3C   c O8  1 
HETATM 1249 O O9  . I3C   O  2 .  ? 36.593 30.288 10.773 1.00 35.35 ? 101 I3C   c O9  1 
HETATM 1250 C C10 . I3C   O  2 .  ? 41.306 32.134 13.394 1.00 28.06 ? 101 I3C   c C10 1 
HETATM 1251 N N13 . I3C   O  2 .  ? 37.203 34.706 13.953 1.00 29.14 ? 101 I3C   c N13 1 
HETATM 1252 C C1  . I3C   O  2 .  ? 38.005 31.962 11.677 1.00 30.32 ? 101 I3C   c C1  1 
HETATM 1253 C C6  . I3C   O  2 .  ? 37.238 32.978 12.320 1.00 31.97 ? 101 I3C   c C6  1 
HETATM 1254 C C5  . I3C   O  2 .  ? 37.885 33.717 13.350 1.00 31.05 ? 101 I3C   c C5  1 
HETATM 1255 C C4  . I3C   O  2 .  ? 39.237 33.474 13.734 1.00 31.94 ? 101 I3C   c C4  1 
HETATM 1256 C C3  . I3C   O  2 .  ? 39.898 32.445 13.028 1.00 28.27 ? 101 I3C   c C3  1 
HETATM 1257 C C2  . I3C   O  2 .  ? 39.321 31.674 12.024 1.00 29.79 ? 101 I3C   c C2  1 
HETATM 1258 C C7  . I3C   O  2 .  ? 37.437 31.136 10.549 1.00 33.26 ? 101 I3C   c C7  1 
HETATM 1259 O O11 . I3C   O  2 .  ? 42.232 32.748 12.839 1.00 26.45 ? 101 I3C   c O11 1 
HETATM 1260 O O12 . I3C   O  2 .  ? 41.506 31.301 14.271 1.00 27.50 ? 101 I3C   c O12 1 
HETATM 1261 I I3  . I3C   P  2 .  ? 17.092 22.361 9.604  1.00 29.74 ? 101 I3C   D I3  1 
HETATM 1262 I I2  . I3C   P  2 .  ? 22.235 23.962 6.683  1.00 48.35 ? 101 I3C   D I2  1 
HETATM 1263 I I1  . I3C   P  2 .  ? 17.000 27.021 5.723  1.00 49.22 ? 101 I3C   D I1  1 
HETATM 1264 O O8  . I3C   P  2 .  ? 15.614 25.585 8.790  1.00 25.24 ? 101 I3C   D O8  1 
HETATM 1265 O O9  . I3C   P  2 .  ? 15.221 24.182 7.199  1.00 25.22 ? 101 I3C   D O9  1 
HETATM 1266 C C10 . I3C   P  2 .  ? 20.106 26.184 5.483  1.00 35.88 ? 101 I3C   D C10 1 
HETATM 1267 N N13 . I3C   P  2 .  ? 20.244 22.469 8.577  1.00 30.72 ? 101 I3C   D N13 1 
HETATM 1268 C C1  . I3C   P  2 .  ? 17.460 24.631 7.607  1.00 28.71 ? 101 I3C   D C1  1 
HETATM 1269 C C6  . I3C   P  2 .  ? 18.157 23.599 8.271  1.00 30.35 ? 101 I3C   D C6  1 
HETATM 1270 C C5  . I3C   P  2 .  ? 19.526 23.435 8.006  1.00 28.78 ? 101 I3C   D C5  1 
HETATM 1271 C C4  . I3C   P  2 .  ? 20.174 24.259 7.100  1.00 35.49 ? 101 I3C   D C4  1 
HETATM 1272 C C3  . I3C   P  2 .  ? 19.437 25.259 6.448  1.00 32.60 ? 101 I3C   D C3  1 
HETATM 1273 C C2  . I3C   P  2 .  ? 18.097 25.468 6.708  1.00 35.50 ? 101 I3C   D C2  1 
HETATM 1274 C C7  . I3C   P  2 .  ? 16.012 24.835 7.872  1.00 25.15 ? 101 I3C   D C7  1 
HETATM 1275 O O11 . I3C   P  2 .  ? 20.129 25.889 4.275  1.00 40.63 ? 101 I3C   D O11 1 
HETATM 1276 O O12 . I3C   P  2 .  ? 20.601 27.235 5.933  1.00 35.00 ? 101 I3C   D O12 1 
HETATM 1277 I I3  . I3C   Q  2 .  ? 17.066 6.483  14.288 1.00 32.59 ? 101 I3C   E I3  1 
HETATM 1278 I I2  . I3C   Q  2 .  ? 11.728 3.875  12.464 1.00 67.48 ? 101 I3C   E I2  1 
HETATM 1279 I I1  . I3C   Q  2 .  ? 16.835 0.435  13.375 1.00 55.46 ? 101 I3C   E I1  1 
HETATM 1280 O O8  . I3C   Q  2 .  ? 18.815 3.360  13.145 1.00 29.66 ? 101 I3C   E O8  1 
HETATM 1281 O O9  . I3C   Q  2 .  ? 18.424 3.327  15.265 1.00 33.28 ? 101 I3C   E O9  1 
HETATM 1282 C C10 . I3C   Q  2 .  ? 13.816 1.188  12.707 1.00 38.23 ? 101 I3C   E C10 1 
HETATM 1283 N N13 . I3C   Q  2 .  ? 13.972 6.055  13.418 1.00 31.26 ? 101 I3C   E N13 1 
HETATM 1284 C C1  . I3C   Q  2 .  ? 16.557 3.507  13.759 1.00 33.99 ? 101 I3C   E C1  1 
HETATM 1285 C C6  . I3C   Q  2 .  ? 15.934 4.762  13.768 1.00 33.78 ? 101 I3C   E C6  1 
HETATM 1286 C C5  . I3C   Q  2 .  ? 14.562 4.841  13.417 1.00 34.70 ? 101 I3C   E C5  1 
HETATM 1287 C C4  . I3C   Q  2 .  ? 13.808 3.712  13.042 1.00 40.17 ? 101 I3C   E C4  1 
HETATM 1288 C C3  . I3C   Q  2 .  ? 14.500 2.472  13.055 1.00 39.79 ? 101 I3C   E C3  1 
HETATM 1289 C C2  . I3C   Q  2 .  ? 15.853 2.353  13.397 1.00 42.78 ? 101 I3C   E C2  1 
HETATM 1290 C C7  . I3C   Q  2 .  ? 18.008 3.380  14.099 1.00 32.58 ? 101 I3C   E C7  1 
HETATM 1291 O O11 . I3C   Q  2 .  ? 13.301 0.521  13.623 1.00 39.48 ? 101 I3C   E O11 1 
HETATM 1292 O O12 . I3C   Q  2 .  ? 13.799 0.801  11.536 1.00 38.06 ? 101 I3C   E O12 1 
HETATM 1293 I I3  . I3C   R  2 .  ? 2.802  14.673 21.982 1.00 86.88 ? 101 I3C   f I3  1 
HETATM 1294 I I2  . I3C   R  2 .  ? -2.249 12.276 19.578 1.00 56.88 ? 101 I3C   f I2  1 
HETATM 1295 I I1  . I3C   R  2 .  ? -2.268 13.860 25.385 1.00 92.27 ? 101 I3C   f I1  1 
HETATM 1296 O O8  . I3C   R  2 .  ? 0.943  13.902 25.634 1.00 67.50 ? 101 I3C   f O8  1 
HETATM 1297 O O9  . I3C   R  2 .  ? 1.211  15.870 24.738 1.00 66.39 ? 101 I3C   f O9  1 
HETATM 1298 C C10 . I3C   R  2 .  ? -3.339 12.711 22.562 1.00 59.10 ? 101 I3C   f C10 1 
HETATM 1299 N N13 . I3C   R  2 .  ? 0.731  13.363 19.948 1.00 52.04 ? 101 I3C   f N13 1 
HETATM 1300 C C1  . I3C   R  2 .  ? 0.107  14.135 23.457 1.00 69.48 ? 101 I3C   f C1  1 
HETATM 1301 C C6  . I3C   R  2 .  ? 0.790  14.023 22.237 1.00 70.13 ? 101 I3C   f C6  1 
HETATM 1302 C C5  . I3C   R  2 .  ? 0.102  13.474 21.148 1.00 57.89 ? 101 I3C   f C5  1 
HETATM 1303 C C4  . I3C   R  2 .  ? -1.229 13.060 21.253 1.00 59.34 ? 101 I3C   f C4  1 
HETATM 1304 C C3  . I3C   R  2 .  ? -1.900 13.174 22.460 1.00 61.02 ? 101 I3C   f C3  1 
HETATM 1305 C C2  . I3C   R  2 .  ? -1.226 13.705 23.562 1.00 74.42 ? 101 I3C   f C2  1 
HETATM 1306 C C7  . I3C   R  2 .  ? 0.794  14.688 24.680 1.00 68.52 ? 101 I3C   f C7  1 
HETATM 1307 O O11 . I3C   R  2 .  ? -4.279 13.541 22.547 1.00 61.26 ? 101 I3C   f O11 1 
HETATM 1308 O O12 . I3C   R  2 .  ? -3.594 11.492 22.646 1.00 59.39 ? 101 I3C   f O12 1 
HETATM 1309 O O   . HOH   S  3 .  ? 46.039 10.241 18.800 1.00 24.10 ? 101 HOH   A O   1 
HETATM 1310 O O   . HOH   S  3 .  ? 52.408 5.526  17.724 1.00 11.29 ? 102 HOH   A O   1 
HETATM 1311 O O   . HOH   T  3 .  ? 50.809 7.169  0.506  1.00 26.38 ? 101 HOH   a O   1 
HETATM 1312 O O   . HOH   T  3 .  ? 55.461 21.656 7.032  1.00 28.13 ? 102 HOH   a O   1 
HETATM 1313 O O   . HOH   U  3 .  ? 47.472 25.865 12.216 1.00 32.16 ? 201 HOH   B O   1 
HETATM 1314 O O   . HOH   U  3 .  ? 35.453 19.244 1.040  1.00 37.67 ? 202 HOH   B O   1 
HETATM 1315 O O   . HOH   U  3 .  ? 39.875 21.300 20.469 1.00 39.77 ? 203 HOH   B O   1 
HETATM 1316 O O   . HOH   V  3 .  ? 43.947 7.911  19.443 1.00 47.66 ? 101 HOH   b O   1 
HETATM 1317 O O   . HOH   W  3 .  ? 28.231 5.121  6.049  1.00 44.14 ? 201 HOH   C O   1 
HETATM 1318 O O   . HOH   W  3 .  ? 37.137 24.200 6.098  1.00 27.92 ? 202 HOH   C O   1 
HETATM 1319 O O   . HOH   W  3 .  ? 33.072 4.826  4.366  1.00 46.67 ? 203 HOH   C O   1 
HETATM 1320 O O   . HOH   W  3 .  ? 31.892 13.076 1.400  1.00 27.08 ? 204 HOH   C O   1 
HETATM 1321 O O   . HOH   X  3 .  ? 29.424 25.821 17.279 1.00 34.18 ? 201 HOH   c O   1 
HETATM 1322 O O   . HOH   X  3 .  ? 31.508 8.456  21.421 1.00 48.83 ? 202 HOH   c O   1 
HETATM 1323 O O   . HOH   X  3 .  ? 38.351 25.977 8.636  1.00 23.27 ? 203 HOH   c O   1 
HETATM 1324 O O   . HOH   Y  3 .  ? 27.451 24.009 17.643 1.00 31.11 ? 201 HOH   D O   1 
HETATM 1325 O O   . HOH   Y  3 .  ? 17.420 18.116 4.028  1.00 29.34 ? 202 HOH   D O   1 
HETATM 1326 O O   . HOH   Y  3 .  ? 23.356 22.989 5.430  1.00 18.46 ? 203 HOH   D O   1 
HETATM 1327 O O   . HOH   Z  3 .  ? 12.860 14.499 6.645  1.00 45.47 ? 201 HOH   E O   1 
HETATM 1328 O O   . HOH   Z  3 .  ? 16.855 6.688  7.197  1.00 27.45 ? 202 HOH   E O   1 
HETATM 1329 O O   . HOH   Z  3 .  ? 10.894 3.537  10.124 1.00 27.22 ? 203 HOH   E O   1 
HETATM 1330 O O   . HOH   AA 3 .  ? 11.425 16.575 6.889  1.00 38.33 ? 101 HOH   e O   1 
HETATM 1331 O O   . HOH   BA 3 .  ? 60.418 18.477 9.689  1.00 30.34 ? 101 HOH   F O   1 
HETATM 1332 O O   . HOH   BA 3 .  ? 64.652 14.709 3.316  1.00 40.71 ? 102 HOH   F O   1 
HETATM 1333 O O   . HOH   CA 3 .  ? 6.845  9.764  22.349 1.00 36.42 ? 201 HOH   f O   1 
HETATM 1334 O O   . HOH   CA 3 .  ? 5.473  11.167 24.318 1.00 44.29 ? 202 HOH   f O   1 
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